smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1=O ZINC000125560102 530277680 /nfs/dbraw/zinc/27/76/80/530277680.db2.gz BBWIVDOFXGCRTE-GFCCVEGCSA-N 1 1 397.273 0.783 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1=O ZINC000125560102 530277682 /nfs/dbraw/zinc/27/76/82/530277682.db2.gz BBWIVDOFXGCRTE-GFCCVEGCSA-N 1 1 397.273 0.783 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1=O ZINC000125560370 530277699 /nfs/dbraw/zinc/27/76/99/530277699.db2.gz BBWIVDOFXGCRTE-LBPRGKRZSA-N 1 1 397.273 0.783 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1=O ZINC000125560370 530277701 /nfs/dbraw/zinc/27/77/01/530277701.db2.gz BBWIVDOFXGCRTE-LBPRGKRZSA-N 1 1 397.273 0.783 10 0 GCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000119465064 530268045 /nfs/dbraw/zinc/26/80/45/530268045.db2.gz AUMZOZZPYKBGDV-LLVKDONJSA-N 1 1 387.278 0.536 10 0 GCAEMO CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000585733425 530304816 /nfs/dbraw/zinc/30/48/16/530304816.db2.gz LLWZHJHVWIMRCM-OWCLPIDISA-N 1 1 375.535 0.662 10 0 GCAEMO CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000585733425 530304820 /nfs/dbraw/zinc/30/48/20/530304820.db2.gz LLWZHJHVWIMRCM-OWCLPIDISA-N 1 1 375.535 0.662 10 0 GCAEMO CC(C)[C@@H](C(=O)NCCCN1CCCS1(=O)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000585733426 530304969 /nfs/dbraw/zinc/30/49/69/530304969.db2.gz LLWZHJHVWIMRCM-XHSDSOJGSA-N 1 1 375.535 0.662 10 0 GCAEMO CC(C)[C@@H](C(=O)NCCCN1CCCS1(=O)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000585733426 530304971 /nfs/dbraw/zinc/30/49/71/530304971.db2.gz LLWZHJHVWIMRCM-XHSDSOJGSA-N 1 1 375.535 0.662 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154375176 530318505 /nfs/dbraw/zinc/31/85/05/530318505.db2.gz HAXZANSTMXEFOI-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154375176 530318508 /nfs/dbraw/zinc/31/85/08/530318508.db2.gz HAXZANSTMXEFOI-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000408026893 530348380 /nfs/dbraw/zinc/34/83/80/530348380.db2.gz HMDNDKUBDPQJAH-CVEARBPZSA-N 1 1 388.511 0.325 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000408026893 530348382 /nfs/dbraw/zinc/34/83/82/530348382.db2.gz HMDNDKUBDPQJAH-CVEARBPZSA-N 1 1 388.511 0.325 10 0 GCAEMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000183911635 530374951 /nfs/dbraw/zinc/37/49/51/530374951.db2.gz ILCHKIVCHUSNFV-AWEZNQCLSA-N 1 1 384.274 0.811 10 0 GCAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000185150888 530376771 /nfs/dbraw/zinc/37/67/71/530376771.db2.gz WKQHRVSMAVHEFO-CHWSQXEVSA-N 1 1 389.283 0.465 10 0 GCAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000185150888 530376772 /nfs/dbraw/zinc/37/67/72/530376772.db2.gz WKQHRVSMAVHEFO-CHWSQXEVSA-N 1 1 389.283 0.465 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000193471361 530393058 /nfs/dbraw/zinc/39/30/58/530393058.db2.gz ARAFGMQAUPGRNM-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000193471361 530393059 /nfs/dbraw/zinc/39/30/59/530393059.db2.gz ARAFGMQAUPGRNM-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000286388686 530400588 /nfs/dbraw/zinc/40/05/88/530400588.db2.gz MUIIQHNBEJEOBW-RYUDHWBXSA-N 1 1 389.499 0.804 10 0 GCAEMO CC(=O)[C@](C)(O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602956470 530486625 /nfs/dbraw/zinc/48/66/25/530486625.db2.gz QVDJWTCPVNWUEZ-CYBMUJFWSA-N 1 1 390.225 0.543 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000253544389 530553464 /nfs/dbraw/zinc/55/34/64/530553464.db2.gz NZTATPJVQNRLKV-JQWIXIFHSA-N 1 1 387.278 0.900 10 0 GCAEMO COC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464726604 530663612 /nfs/dbraw/zinc/66/36/12/530663612.db2.gz AWCKYLRBZFSOIK-AWEZNQCLSA-N 1 1 377.507 0.048 10 0 GCAEMO COC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464726604 530663615 /nfs/dbraw/zinc/66/36/15/530663615.db2.gz AWCKYLRBZFSOIK-AWEZNQCLSA-N 1 1 377.507 0.048 10 0 GCAEMO CCC[N@@H+](CC)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000472211564 530703835 /nfs/dbraw/zinc/70/38/35/530703835.db2.gz UAEBEMHHUNZRIF-UHFFFAOYSA-N 1 1 375.466 0.872 10 0 GCAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000179554068 530726495 /nfs/dbraw/zinc/72/64/95/530726495.db2.gz ZBLSAQOFGKXGTQ-SNVBAGLBSA-N 1 1 385.262 0.687 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H](C)O1 ZINC000067717914 530830111 /nfs/dbraw/zinc/83/01/11/530830111.db2.gz DXXXETHYTDBUNN-MTSZKFMLSA-N 1 1 375.535 0.914 10 0 GCAEMO CCCC[N@@H+](C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000488867533 530819810 /nfs/dbraw/zinc/81/98/10/530819810.db2.gz OJWGGLHWEUFHGZ-UHFFFAOYSA-N 1 1 375.466 0.872 10 0 GCAEMO Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)cc(Br)c1=O ZINC000179619077 530852932 /nfs/dbraw/zinc/85/29/32/530852932.db2.gz LDLRYJVDXUQJRK-UHFFFAOYSA-N 1 1 397.273 0.783 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181337755 530853424 /nfs/dbraw/zinc/85/34/24/530853424.db2.gz DTEXFQMEIXZFDE-AAEUAGOBSA-N 1 1 383.499 0.322 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000116890990 530896127 /nfs/dbraw/zinc/89/61/27/530896127.db2.gz BQFZSMHCUWBHBF-OLZOCXBDSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000116890990 530896130 /nfs/dbraw/zinc/89/61/30/530896130.db2.gz BQFZSMHCUWBHBF-OLZOCXBDSA-N 1 1 393.303 0.812 10 0 GCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(CCCS(=O)(=O)C(C)C)CC2)C1 ZINC000120036470 530933992 /nfs/dbraw/zinc/93/39/92/530933992.db2.gz ZPSLTYSGICUPMR-SFHVURJKSA-N 1 1 375.579 0.927 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3ccc(Br)o3)[C@@H]2C1 ZINC000285729908 530961787 /nfs/dbraw/zinc/96/17/87/530961787.db2.gz KHQNDQKIPOJARA-GHMZBOCLSA-N 1 1 386.246 0.703 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(Br)o3)[C@@H]2C1 ZINC000285729911 530962074 /nfs/dbraw/zinc/96/20/74/530962074.db2.gz KHQNDQKIPOJARA-MNOVXSKESA-N 1 1 386.246 0.703 10 0 GCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC2)CCO1 ZINC000372071897 530988626 /nfs/dbraw/zinc/98/86/26/530988626.db2.gz VRXFMFRXKPGXCX-DZGCQCFKSA-N 1 1 375.535 0.662 10 0 GCAEMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000546571695 531092271 /nfs/dbraw/zinc/09/22/71/531092271.db2.gz OKPIYVHILFOUJA-BBRMVZONSA-N 1 1 387.527 0.474 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000245638230 531129535 /nfs/dbraw/zinc/12/95/35/531129535.db2.gz HAXZANSTMXEFOI-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000245638230 531129538 /nfs/dbraw/zinc/12/95/38/531129538.db2.gz HAXZANSTMXEFOI-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000246098956 531134274 /nfs/dbraw/zinc/13/42/74/531134274.db2.gz OJODOKXZBBQOKR-GXFFZTMASA-N 1 1 399.289 0.931 10 0 GCAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000683981132 531182519 /nfs/dbraw/zinc/18/25/19/531182519.db2.gz BXNACGBDDCGQRF-GASCZTMLSA-N 1 1 376.523 0.163 10 0 GCAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000683981132 531182520 /nfs/dbraw/zinc/18/25/20/531182520.db2.gz BXNACGBDDCGQRF-GASCZTMLSA-N 1 1 376.523 0.163 10 0 GCAEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCn1cc(Br)ccc1=O ZINC000106928679 531196274 /nfs/dbraw/zinc/19/62/74/531196274.db2.gz RHXJLCKTKQKFKC-CYBMUJFWSA-N 1 1 385.306 0.753 10 0 GCAEMO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000115864746 531195160 /nfs/dbraw/zinc/19/51/60/531195160.db2.gz TUBLUESWQMAQGB-RWMBFGLXSA-N 1 1 375.516 0.640 10 0 GCAEMO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000115864746 531195164 /nfs/dbraw/zinc/19/51/64/531195164.db2.gz TUBLUESWQMAQGB-RWMBFGLXSA-N 1 1 375.516 0.640 10 0 GCAEMO COc1ccc(CCC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000046140845 205104622 /nfs/dbraw/zinc/10/46/22/205104622.db2.gz RSNCVFJLDMYJNU-UHFFFAOYSA-N 1 1 395.525 0.854 10 0 GCAEMO C/C=C(/C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@@H]12 ZINC000256068607 206150499 /nfs/dbraw/zinc/15/04/99/206150499.db2.gz HRSGCYGUWHGOPY-FTAMNRKFSA-N 1 1 397.468 0.305 10 0 GCAEMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2CO)CC1 ZINC000091997529 211212894 /nfs/dbraw/zinc/21/28/94/211212894.db2.gz PZFZWHRHBHOOHZ-HZPDHXFCSA-N 1 1 376.501 0.871 10 0 GCAEMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2CO)CC1 ZINC000091997529 211212896 /nfs/dbraw/zinc/21/28/96/211212896.db2.gz PZFZWHRHBHOOHZ-HZPDHXFCSA-N 1 1 376.501 0.871 10 0 GCAEMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2CO)CC1 ZINC000091997529 211212900 /nfs/dbraw/zinc/21/29/00/211212900.db2.gz PZFZWHRHBHOOHZ-HZPDHXFCSA-N 1 1 376.501 0.871 10 0 GCAEMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CN3)C[C@@H]1CO ZINC000091254582 211187386 /nfs/dbraw/zinc/18/73/86/211187386.db2.gz PYCCSUYFAARIJQ-HUUCEWRRSA-N 1 1 376.457 0.309 10 0 GCAEMO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CC[NH+](C2CC2)CC1 ZINC000154304688 639844570 /nfs/dbraw/zinc/84/45/70/639844570.db2.gz NXWJJAJMTOHOPX-UHFFFAOYSA-N 1 1 384.424 0.790 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000179844232 639951127 /nfs/dbraw/zinc/95/11/27/639951127.db2.gz DAXVPUSBIOCIFX-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000179844232 639951132 /nfs/dbraw/zinc/95/11/32/639951132.db2.gz DAXVPUSBIOCIFX-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184343782 639965544 /nfs/dbraw/zinc/96/55/44/639965544.db2.gz HDLWOARGUYENRG-UHFFFAOYSA-N 1 1 396.263 0.950 10 0 GCAEMO COCCCS(=O)(=O)N1CCC(OC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000774997596 640903145 /nfs/dbraw/zinc/90/31/45/640903145.db2.gz SVGOENIDFBSBEL-AWEZNQCLSA-N 1 1 394.559 0.798 10 0 GCAEMO COCCCS(=O)(=O)N1CCC(OC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000774997596 640903149 /nfs/dbraw/zinc/90/31/49/640903149.db2.gz SVGOENIDFBSBEL-AWEZNQCLSA-N 1 1 394.559 0.798 10 0 GCAEMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1c1cccs1 ZINC000788393152 641367325 /nfs/dbraw/zinc/36/73/25/641367325.db2.gz WIIHPJWKTGSVCW-GXTWGEPZSA-N 1 1 387.527 0.408 10 0 GCAEMO C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1CCO ZINC000188815652 642054006 /nfs/dbraw/zinc/05/40/06/642054006.db2.gz IIRGZYFNUMSXMH-LBPRGKRZSA-N 1 1 376.425 0.750 10 0 GCAEMO C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1CCO ZINC000188815652 642054010 /nfs/dbraw/zinc/05/40/10/642054010.db2.gz IIRGZYFNUMSXMH-LBPRGKRZSA-N 1 1 376.425 0.750 10 0 GCAEMO Cn1cc(N2CC[C@@H]([N@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccn3C)C2=O)cn1 ZINC000279823034 1192608368 /nfs/dbraw/zinc/60/83/68/1192608368.db2.gz YIKRQQCSRSTGRV-YQQAZPJKSA-N 1 1 389.479 0.803 10 0 GCAEMO Cn1cc(N2CC[C@@H]([N@@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccn3C)C2=O)cn1 ZINC000279823034 1192608371 /nfs/dbraw/zinc/60/83/71/1192608371.db2.gz YIKRQQCSRSTGRV-YQQAZPJKSA-N 1 1 389.479 0.803 10 0 GCAEMO CS(=O)(=O)N1CC[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000152041616 1192736456 /nfs/dbraw/zinc/73/64/56/1192736456.db2.gz VPMMGWRLILIWKV-GOSISDBHSA-N 1 1 394.541 0.202 10 0 GCAEMO Cc1cc(CN(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)no1 ZINC000549826394 1192894841 /nfs/dbraw/zinc/89/48/41/1192894841.db2.gz DPNUVSFCICMIQR-SFHVURJKSA-N 1 1 386.452 0.824 10 0 GCAEMO CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000683106240 1184120134 /nfs/dbraw/zinc/12/01/34/1184120134.db2.gz VGULTFIWEOOWFJ-VXGBXAGGSA-N 1 1 376.465 0.892 10 0 GCAEMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cnccn1 ZINC000471178259 1184343577 /nfs/dbraw/zinc/34/35/77/1184343577.db2.gz NCGHYEZYQJGAFB-UHFFFAOYSA-N 1 1 377.470 0.305 10 0 GCAEMO C[C@H]1CN(C(=O)NCc2cccc(N3CCOCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000547708810 1184386048 /nfs/dbraw/zinc/38/60/48/1184386048.db2.gz AMUBIXPAKKXQTO-INIZCTEOSA-N 1 1 391.516 0.905 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC1 ZINC000154621351 1184427560 /nfs/dbraw/zinc/42/75/60/1184427560.db2.gz RSYNMWFZOHFXRN-GOSISDBHSA-N 1 1 399.495 0.979 10 0 GCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000154654236 1184450042 /nfs/dbraw/zinc/45/00/42/1184450042.db2.gz JWLTYBZNCDJFBY-IRXDYDNUSA-N 1 1 388.516 0.750 10 0 GCAEMO CC(=O)N1CCN(c2cccc(NC(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000547753684 1184478491 /nfs/dbraw/zinc/47/84/91/1184478491.db2.gz GQSRDMAMVPBJHK-MRXNPFEDSA-N 1 1 389.500 0.885 10 0 GCAEMO CC(=O)N1CCN(c2cccc(NC(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000547753684 1184478506 /nfs/dbraw/zinc/47/85/06/1184478506.db2.gz GQSRDMAMVPBJHK-MRXNPFEDSA-N 1 1 389.500 0.885 10 0 GCAEMO COc1ccccc1CCNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510187087 1184599975 /nfs/dbraw/zinc/59/99/75/1184599975.db2.gz WOWXWZMIEHXGRG-UHFFFAOYSA-N 1 1 383.514 0.615 10 0 GCAEMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2C[C@@H]1C ZINC000655648898 1184766607 /nfs/dbraw/zinc/76/66/07/1184766607.db2.gz NWCADYXVBZXJNU-VBNZEHGJSA-N 1 1 379.482 0.424 10 0 GCAEMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2C[C@@H]1C ZINC000655648898 1184766614 /nfs/dbraw/zinc/76/66/14/1184766614.db2.gz NWCADYXVBZXJNU-VBNZEHGJSA-N 1 1 379.482 0.424 10 0 GCAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275740298 1184994185 /nfs/dbraw/zinc/99/41/85/1184994185.db2.gz QCHSXKBCZMQTHQ-HOTGVXAUSA-N 1 1 376.505 0.923 10 0 GCAEMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269472 1185136159 /nfs/dbraw/zinc/13/61/59/1185136159.db2.gz ZJEMDCYJYAIQAB-JSGCOSHPSA-N 1 1 377.445 0.594 10 0 GCAEMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000155690360 1185180440 /nfs/dbraw/zinc/18/04/40/1185180440.db2.gz ISCVOYSJHDLKLT-MRXNPFEDSA-N 1 1 394.541 0.885 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880154 1185222822 /nfs/dbraw/zinc/22/28/22/1185222822.db2.gz GXWXIUMWJPQCGG-LSDHHAIUSA-N 1 1 378.477 0.643 10 0 GCAEMO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880154 1185222833 /nfs/dbraw/zinc/22/28/33/1185222833.db2.gz GXWXIUMWJPQCGG-LSDHHAIUSA-N 1 1 378.477 0.643 10 0 GCAEMO CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684141017 1185487701 /nfs/dbraw/zinc/48/77/01/1185487701.db2.gz OTGABKUUOOEJKC-PXNSSMCTSA-N 1 1 376.501 0.226 10 0 GCAEMO CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684141017 1185487706 /nfs/dbraw/zinc/48/77/06/1185487706.db2.gz OTGABKUUOOEJKC-PXNSSMCTSA-N 1 1 376.501 0.226 10 0 GCAEMO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000276484182 1185838326 /nfs/dbraw/zinc/83/83/26/1185838326.db2.gz OHGDYITXVISHEB-JKSUJKDBSA-N 1 1 376.505 0.780 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000581683203 1185842079 /nfs/dbraw/zinc/84/20/79/1185842079.db2.gz IEIKHPRQLHZUBP-UHFFFAOYSA-N 1 1 386.456 0.380 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)n1cccn1 ZINC000328849659 1185970133 /nfs/dbraw/zinc/97/01/33/1185970133.db2.gz WHTAQZJDNWCHOC-ROUUACIJSA-N 1 1 390.532 0.531 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000328889631 1186010343 /nfs/dbraw/zinc/01/03/43/1186010343.db2.gz QUECIRIBBIOZFP-IYBDPMFKSA-N 1 1 383.514 0.962 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000328907391 1186019426 /nfs/dbraw/zinc/01/94/26/1186019426.db2.gz LNDCCHUYDXDYJM-HNNXBMFYSA-N 1 1 394.497 0.862 10 0 GCAEMO C[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1n1ccnc1 ZINC000156550593 1186093301 /nfs/dbraw/zinc/09/33/01/1186093301.db2.gz IQWRKQMDSKCHOB-GJZGRUSLSA-N 1 1 385.472 0.603 10 0 GCAEMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000535680591 1186197613 /nfs/dbraw/zinc/19/76/13/1186197613.db2.gz KMVCIUACEXQXHZ-MRXNPFEDSA-N 1 1 387.484 0.458 10 0 GCAEMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000535680591 1186197619 /nfs/dbraw/zinc/19/76/19/1186197619.db2.gz KMVCIUACEXQXHZ-MRXNPFEDSA-N 1 1 387.484 0.458 10 0 GCAEMO Cc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000535730214 1186207508 /nfs/dbraw/zinc/20/75/08/1186207508.db2.gz PBGHRQHYIVWZBG-UHFFFAOYSA-N 1 1 385.472 0.481 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000158432708 1186502724 /nfs/dbraw/zinc/50/27/24/1186502724.db2.gz LAZDGURKCLLMNS-SFHVURJKSA-N 1 1 385.468 0.785 10 0 GCAEMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1(C)C ZINC000072897847 1186523374 /nfs/dbraw/zinc/52/33/74/1186523374.db2.gz AFWPNTCDHUOHSA-DJJJIMSYSA-N 1 1 377.489 0.959 10 0 GCAEMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673995 1186594057 /nfs/dbraw/zinc/59/40/57/1186594057.db2.gz QHUMULPARGONMW-MRXNPFEDSA-N 1 1 397.497 0.914 10 0 GCAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673973 1186594513 /nfs/dbraw/zinc/59/45/13/1186594513.db2.gz PPFXWNINSYKBMH-HNNXBMFYSA-N 1 1 383.470 0.572 10 0 GCAEMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000255518438 1186604515 /nfs/dbraw/zinc/60/45/15/1186604515.db2.gz GXMLZVMTZVNLGQ-WBVHZDCISA-N 1 1 388.516 0.453 10 0 GCAEMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000255518438 1186604517 /nfs/dbraw/zinc/60/45/17/1186604517.db2.gz GXMLZVMTZVNLGQ-WBVHZDCISA-N 1 1 388.516 0.453 10 0 GCAEMO COc1ccc([C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)c2nccn2C)cc1 ZINC000582673480 1186605899 /nfs/dbraw/zinc/60/58/99/1186605899.db2.gz IMGNUYJBCKEVGI-QGZVFWFLSA-N 1 1 385.468 0.845 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000075635986 1186631255 /nfs/dbraw/zinc/63/12/55/1186631255.db2.gz YKRCTIZGCYVCHY-KRWDZBQOSA-N 1 1 382.549 0.650 10 0 GCAEMO C[C@](O)(Cn1ccccc1=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000468270699 1186708320 /nfs/dbraw/zinc/70/83/20/1186708320.db2.gz PGVMWCSSSJAOKB-NRFANRHFSA-N 1 1 385.464 0.748 10 0 GCAEMO C[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025639767 1186746464 /nfs/dbraw/zinc/74/64/64/1186746464.db2.gz JSRDKLBQHLOUOJ-AWEZNQCLSA-N 1 1 380.452 0.693 10 0 GCAEMO CC(=O)N[C@](C)(C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000583085247 1186766716 /nfs/dbraw/zinc/76/67/16/1186766716.db2.gz WHXASIHBLQVRIF-ROUUACIJSA-N 1 1 399.488 0.601 10 0 GCAEMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154178881 1186784753 /nfs/dbraw/zinc/78/47/53/1186784753.db2.gz ZNRFTKGJTFIZRQ-SJPCQFCGSA-N 1 1 398.511 0.643 10 0 GCAEMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000246260598 1186916827 /nfs/dbraw/zinc/91/68/27/1186916827.db2.gz GGHGWDWQBWYWKL-STQMWFEESA-N 1 1 380.411 0.950 10 0 GCAEMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000246260584 1186916978 /nfs/dbraw/zinc/91/69/78/1186916978.db2.gz GGHGWDWQBWYWKL-OLZOCXBDSA-N 1 1 380.411 0.950 10 0 GCAEMO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000163417590 1186925473 /nfs/dbraw/zinc/92/54/73/1186925473.db2.gz VRMFMHVZUPLRKJ-FUHWJXTLSA-N 1 1 376.501 0.953 10 0 GCAEMO Cc1[nH]nc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1C ZINC000329458913 1186943281 /nfs/dbraw/zinc/94/32/81/1186943281.db2.gz OOJBGKKLKHPUOX-UHFFFAOYSA-N 1 1 376.505 0.337 10 0 GCAEMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000329480860 1186947617 /nfs/dbraw/zinc/94/76/17/1186947617.db2.gz QYDMMUKMYOZYKV-KRWDZBQOSA-N 1 1 376.501 0.402 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC12COC2 ZINC000458740551 1186970274 /nfs/dbraw/zinc/97/02/74/1186970274.db2.gz YIRVNGKFQCXADR-HZPDHXFCSA-N 1 1 383.489 0.708 10 0 GCAEMO COC(=O)[C@]1(NCCN2CCCS2(=O)=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611797243 1186972574 /nfs/dbraw/zinc/97/25/74/1186972574.db2.gz WMIATRLUBNWPNS-IBGZPJMESA-N 1 1 395.525 0.819 10 0 GCAEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@@H+]1C ZINC000329727763 1187020154 /nfs/dbraw/zinc/02/01/54/1187020154.db2.gz OWONGBVPXXAGLA-AAEUAGOBSA-N 1 1 390.469 0.653 10 0 GCAEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@H+]1C ZINC000329727763 1187020157 /nfs/dbraw/zinc/02/01/57/1187020157.db2.gz OWONGBVPXXAGLA-AAEUAGOBSA-N 1 1 390.469 0.653 10 0 GCAEMO CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000297221872 1187123781 /nfs/dbraw/zinc/12/37/81/1187123781.db2.gz HORKWDVTHRMNEP-IRXDYDNUSA-N 1 1 395.529 0.660 10 0 GCAEMO CC1(C)CN(CC(O)C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)C[C@]2(CCOC2)O1 ZINC000376018860 1187547023 /nfs/dbraw/zinc/54/70/23/1187547023.db2.gz LLOTXLNYPGUEHK-SFTDATJTSA-N 1 1 398.544 0.887 10 0 GCAEMO CCNC(=O)N1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000472469620 1187597741 /nfs/dbraw/zinc/59/77/41/1187597741.db2.gz KFGKMALSSONHEB-CABCVRRESA-N 1 1 382.509 0.032 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000376113683 1187612710 /nfs/dbraw/zinc/61/27/10/1187612710.db2.gz LWAUZGRPAKMXNE-OAHLLOKOSA-N 1 1 376.505 0.720 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000658902374 1187747492 /nfs/dbraw/zinc/74/74/92/1187747492.db2.gz VBNHFABDIHCCJP-SFHVURJKSA-N 1 1 388.468 0.665 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332829460 1187787991 /nfs/dbraw/zinc/78/79/91/1187787991.db2.gz PUMSRCSKIBPOPJ-HZMVEIRTSA-N 1 1 399.557 0.697 10 0 GCAEMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328640902 1188116757 /nfs/dbraw/zinc/11/67/57/1188116757.db2.gz QIEZZKVWKDJOHE-HNNXBMFYSA-N 1 1 385.534 0.361 10 0 GCAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328640902 1188116763 /nfs/dbraw/zinc/11/67/63/1188116763.db2.gz QIEZZKVWKDJOHE-HNNXBMFYSA-N 1 1 385.534 0.361 10 0 GCAEMO CCOCCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549351010 1188154320 /nfs/dbraw/zinc/15/43/20/1188154320.db2.gz IUQLASZBFWRSOY-MRXNPFEDSA-N 1 1 375.477 0.626 10 0 GCAEMO CCOCCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549351010 1188154321 /nfs/dbraw/zinc/15/43/21/1188154321.db2.gz IUQLASZBFWRSOY-MRXNPFEDSA-N 1 1 375.477 0.626 10 0 GCAEMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549417604 1189476672 /nfs/dbraw/zinc/47/66/72/1189476672.db2.gz WVBGGOCHIUJMEB-ZIAGYGMSSA-N 1 1 386.522 0.065 10 0 GCAEMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549417604 1189476678 /nfs/dbraw/zinc/47/66/78/1189476678.db2.gz WVBGGOCHIUJMEB-ZIAGYGMSSA-N 1 1 386.522 0.065 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)ccc21 ZINC000660090165 1189584126 /nfs/dbraw/zinc/58/41/26/1189584126.db2.gz AIEFROWUANUSEM-KRWDZBQOSA-N 1 1 393.509 0.815 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[nH]n1 ZINC000584734413 1189644668 /nfs/dbraw/zinc/64/46/68/1189644668.db2.gz VKYHUHSICMCKFH-HNNXBMFYSA-N 1 1 391.516 0.917 10 0 GCAEMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@@H]1O ZINC000408094030 1189762158 /nfs/dbraw/zinc/76/21/58/1189762158.db2.gz XVAYXWGTELCUQC-HOCLYGCPSA-N 1 1 399.488 0.361 10 0 GCAEMO c1ccc(Cn2c([C@H]3COCCO3)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)cc1 ZINC000549515544 1189871831 /nfs/dbraw/zinc/87/18/31/1189871831.db2.gz MBPQMMFZHIYCCM-ZWKOTPCHSA-N 1 1 385.468 0.935 10 0 GCAEMO c1ccc(Cn2c([C@H]3COCCO3)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)cc1 ZINC000549515544 1189871841 /nfs/dbraw/zinc/87/18/41/1189871841.db2.gz MBPQMMFZHIYCCM-ZWKOTPCHSA-N 1 1 385.468 0.935 10 0 GCAEMO C(C[C@@H]1CCOC1)Nc1nc(NCC[C@@H]2CCOC2)[nH+]c(N2CCOCC2)n1 ZINC000544139894 1189896526 /nfs/dbraw/zinc/89/65/26/1189896526.db2.gz LANMHLXWAWVWFL-HZPDHXFCSA-N 1 1 392.504 0.229 10 0 GCAEMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247190675 1193734728 /nfs/dbraw/zinc/73/47/28/1193734728.db2.gz SLYCWTQJAXCFNB-KBAYOESNSA-N 1 1 394.541 0.389 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)[C@@H](C)C1 ZINC000247236099 1193735374 /nfs/dbraw/zinc/73/53/74/1193735374.db2.gz DEAYUQBFTYPNIC-ZFWWWQNUSA-N 1 1 387.484 0.743 10 0 GCAEMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)C1 ZINC000545878112 1194214087 /nfs/dbraw/zinc/21/40/87/1194214087.db2.gz FHEOXCZCUVNINY-IBGZPJMESA-N 1 1 377.441 0.763 10 0 GCAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000637921779 1194829058 /nfs/dbraw/zinc/82/90/58/1194829058.db2.gz FTPOLLWLIYEMGN-IRXDYDNUSA-N 1 1 382.530 0.234 10 0 GCAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000637921779 1194829061 /nfs/dbraw/zinc/82/90/61/1194829061.db2.gz FTPOLLWLIYEMGN-IRXDYDNUSA-N 1 1 382.530 0.234 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000261911334 1194833399 /nfs/dbraw/zinc/83/33/99/1194833399.db2.gz HOGYXAVXYABASL-HNNXBMFYSA-N 1 1 395.419 0.829 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)CN1CC[NH+](C)CC1 ZINC000434583146 1194853488 /nfs/dbraw/zinc/85/34/88/1194853488.db2.gz YMJAODUYSIRGIC-HNNXBMFYSA-N 1 1 391.516 1.445 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434791322 1194869793 /nfs/dbraw/zinc/86/97/93/1194869793.db2.gz CAKTXDZXKFXWMF-AUUYWEPGSA-N 1 1 391.424 0.312 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434791322 1194869796 /nfs/dbraw/zinc/86/97/96/1194869796.db2.gz CAKTXDZXKFXWMF-AUUYWEPGSA-N 1 1 391.424 0.312 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)C[NH+]1CCOCC1 ZINC000434922207 1194876755 /nfs/dbraw/zinc/87/67/55/1194876755.db2.gz ABKHDGYMYVLKRY-AWEZNQCLSA-N 1 1 378.473 1.529 10 0 GCAEMO CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1O ZINC000435256706 1194907337 /nfs/dbraw/zinc/90/73/37/1194907337.db2.gz PXGSAUYOLKNTLN-DLBZAZTESA-N 1 1 392.504 0.607 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366626479 1194931136 /nfs/dbraw/zinc/93/11/36/1194931136.db2.gz BNKMFJDITSWXKA-DLBZAZTESA-N 1 1 375.473 0.581 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)[C@H]2C1 ZINC000293925054 1195239785 /nfs/dbraw/zinc/23/97/85/1195239785.db2.gz PANNQPFSAUGFPP-ZWKOTPCHSA-N 1 1 393.509 0.944 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000518651218 1195316083 /nfs/dbraw/zinc/31/60/83/1195316083.db2.gz LQSLLGRAWNWAOL-OAHLLOKOSA-N 1 1 381.498 0.779 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000439760233 1195347828 /nfs/dbraw/zinc/34/78/28/1195347828.db2.gz WFDWNTAJVXFJCD-KRWDZBQOSA-N 1 1 388.468 0.835 10 0 GCAEMO CC(=O)N(C)c1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000426643758 1195412421 /nfs/dbraw/zinc/41/24/21/1195412421.db2.gz SBAZKGKBPGINBL-QGZVFWFLSA-N 1 1 381.498 0.860 10 0 GCAEMO C[C@@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1CCO ZINC000187681268 1195420168 /nfs/dbraw/zinc/42/01/68/1195420168.db2.gz UWLMEHNQHXBQRM-QGZVFWFLSA-N 1 1 394.947 0.983 10 0 GCAEMO C[C@@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1CCO ZINC000187681268 1195420172 /nfs/dbraw/zinc/42/01/72/1195420172.db2.gz UWLMEHNQHXBQRM-QGZVFWFLSA-N 1 1 394.947 0.983 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000187668086 1195420724 /nfs/dbraw/zinc/42/07/24/1195420724.db2.gz ZNQRTNQNZIDPJQ-KRWDZBQOSA-N 1 1 376.501 0.456 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000187668086 1195420728 /nfs/dbraw/zinc/42/07/28/1195420728.db2.gz ZNQRTNQNZIDPJQ-KRWDZBQOSA-N 1 1 376.501 0.456 10 0 GCAEMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)c(C)c1 ZINC000187660993 1195420891 /nfs/dbraw/zinc/42/08/91/1195420891.db2.gz ZXMUQZKIHQFBBT-QGZVFWFLSA-N 1 1 376.501 0.665 10 0 GCAEMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1 ZINC000187660993 1195420895 /nfs/dbraw/zinc/42/08/95/1195420895.db2.gz ZXMUQZKIHQFBBT-QGZVFWFLSA-N 1 1 376.501 0.665 10 0 GCAEMO CCCCn1c2nc(CN3CC[N@@H+](CCO)[C@H](C)C3)n(CC)c2c(=O)[nH]c1=O ZINC000187727391 1195421399 /nfs/dbraw/zinc/42/13/99/1195421399.db2.gz KNSSOIRSLBSDJA-CQSZACIVSA-N 1 1 392.504 0.205 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000473657214 1195431935 /nfs/dbraw/zinc/43/19/35/1195431935.db2.gz FCKXUKJGPXBVDS-CQSZACIVSA-N 1 1 383.518 0.742 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000550135358 1195446447 /nfs/dbraw/zinc/44/64/47/1195446447.db2.gz ISYMBHPZGKEVGF-AWEZNQCLSA-N 1 1 394.497 0.279 10 0 GCAEMO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000519690044 1195564993 /nfs/dbraw/zinc/56/49/93/1195564993.db2.gz DPBXFXCZLVSYNU-FUHWJXTLSA-N 1 1 389.500 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)C(=O)Nc3cc(C[NH+](C)C)ccc3C)CC2)n[nH]1 ZINC000440756521 1195579401 /nfs/dbraw/zinc/57/94/01/1195579401.db2.gz VWOAAPDTBCGTCM-UHFFFAOYSA-N 1 1 399.499 0.766 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)CC2)n[nH]1 ZINC000440756294 1195579738 /nfs/dbraw/zinc/57/97/38/1195579738.db2.gz MRTXVSCXMRQWGD-UHFFFAOYSA-N 1 1 399.499 0.500 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000440925118 1195589582 /nfs/dbraw/zinc/58/95/82/1195589582.db2.gz LAYYNIKTHLQLKZ-JQWIXIFHSA-N 1 1 385.461 0.766 10 0 GCAEMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000441073262 1195601488 /nfs/dbraw/zinc/60/14/88/1195601488.db2.gz ZXQFMTNKMBMWHA-QWHCGFSZSA-N 1 1 382.486 0.474 10 0 GCAEMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000441073262 1195601490 /nfs/dbraw/zinc/60/14/90/1195601490.db2.gz ZXQFMTNKMBMWHA-QWHCGFSZSA-N 1 1 382.486 0.474 10 0 GCAEMO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550400869 1195655864 /nfs/dbraw/zinc/65/58/64/1195655864.db2.gz PHNPPGLMXSQFOU-ROUUACIJSA-N 1 1 386.496 0.894 10 0 GCAEMO O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000195492185 1195839603 /nfs/dbraw/zinc/83/96/03/1195839603.db2.gz VOXBUZDWLDCOPK-UHFFFAOYSA-N 1 1 377.510 0.837 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1S(N)(=O)=O ZINC000522379875 1196088501 /nfs/dbraw/zinc/08/85/01/1196088501.db2.gz QECPGPZSKGYTHP-LBPRGKRZSA-N 1 1 387.477 0.824 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000550576555 1196091988 /nfs/dbraw/zinc/09/19/88/1196091988.db2.gz HWRUXESCGRPIEL-KFWWJZLASA-N 1 1 382.505 0.070 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000550576555 1196091989 /nfs/dbraw/zinc/09/19/89/1196091989.db2.gz HWRUXESCGRPIEL-KFWWJZLASA-N 1 1 382.505 0.070 10 0 GCAEMO CC(C)C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329207417 1196175625 /nfs/dbraw/zinc/17/56/25/1196175625.db2.gz FEFQXTRPSNFGOH-QGZVFWFLSA-N 1 1 394.516 0.027 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cccn1 ZINC000329437958 1196195653 /nfs/dbraw/zinc/19/56/53/1196195653.db2.gz JNVUSTWHNYEMTD-DLBZAZTESA-N 1 1 377.489 0.616 10 0 GCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329441657 1196196457 /nfs/dbraw/zinc/19/64/57/1196196457.db2.gz NDPRZTYRBLAKMN-BRWVUGGUSA-N 1 1 377.485 0.875 10 0 GCAEMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000329700772 1196224072 /nfs/dbraw/zinc/22/40/72/1196224072.db2.gz GZZFZKVMAIHSQJ-KRWDZBQOSA-N 1 1 386.500 0.460 10 0 GCAEMO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3[nH+]ccn3C)CC1)C2=O ZINC000329781819 1196231131 /nfs/dbraw/zinc/23/11/31/1196231131.db2.gz NMZISHDGALXHSK-UHFFFAOYSA-N 1 1 388.472 0.774 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cn(C)nc3-c3cnn(C)c3)CC2)cc[nH+]1 ZINC000444091442 1196331339 /nfs/dbraw/zinc/33/13/39/1196331339.db2.gz XFQXCUXQZRBOGD-UHFFFAOYSA-N 1 1 395.471 0.639 10 0 GCAEMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1cccc(F)c1 ZINC000028899512 1196407789 /nfs/dbraw/zinc/40/77/89/1196407789.db2.gz QCZZYGIDPZUMBG-UHFFFAOYSA-N 1 1 378.448 0.631 10 0 GCAEMO CCOCC[C@@H](O)C[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000444684477 1196512529 /nfs/dbraw/zinc/51/25/29/1196512529.db2.gz KCZUFXMWNIPTTD-QZTJIDSGSA-N 1 1 393.532 0.629 10 0 GCAEMO CCOCC[C@H](O)C[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000444684478 1196512668 /nfs/dbraw/zinc/51/26/68/1196512668.db2.gz KCZUFXMWNIPTTD-ROUUACIJSA-N 1 1 393.532 0.629 10 0 GCAEMO Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000508526430 1196565709 /nfs/dbraw/zinc/56/57/09/1196565709.db2.gz NWUNDNCMBSZMTF-ZDUSSCGKSA-N 1 1 381.440 0.250 10 0 GCAEMO Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000508526430 1196565714 /nfs/dbraw/zinc/56/57/14/1196565714.db2.gz NWUNDNCMBSZMTF-ZDUSSCGKSA-N 1 1 381.440 0.250 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000525321950 1196672257 /nfs/dbraw/zinc/67/22/57/1196672257.db2.gz AQXKLSVYUXUFCY-OAHLLOKOSA-N 1 1 389.500 0.608 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000193270694 1196677092 /nfs/dbraw/zinc/67/70/92/1196677092.db2.gz QYDRQLPYICUWDB-QGZVFWFLSA-N 1 1 375.521 0.771 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c(Cl)cc21 ZINC000528421229 1196859813 /nfs/dbraw/zinc/85/98/13/1196859813.db2.gz DJATVGGJSXCARM-UONOGXRCSA-N 1 1 399.900 0.689 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c(Cl)cc21 ZINC000528421229 1196859818 /nfs/dbraw/zinc/85/98/18/1196859818.db2.gz DJATVGGJSXCARM-UONOGXRCSA-N 1 1 399.900 0.689 10 0 GCAEMO CC(=O)[C@](C)(O)C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000450562516 1196936452 /nfs/dbraw/zinc/93/64/52/1196936452.db2.gz GXJZCLVFYFCPCA-GOSISDBHSA-N 1 1 383.514 0.231 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC12COC2 ZINC000451140821 1196973067 /nfs/dbraw/zinc/97/30/67/1196973067.db2.gz USWXQKSQDDGETR-CYBMUJFWSA-N 1 1 381.454 0.585 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12COC2 ZINC000451140821 1196973070 /nfs/dbraw/zinc/97/30/70/1196973070.db2.gz USWXQKSQDDGETR-CYBMUJFWSA-N 1 1 381.454 0.585 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451124351 1196973522 /nfs/dbraw/zinc/97/35/22/1196973522.db2.gz HWJORWYUOPAUHX-RDJZCZTQSA-N 1 1 393.436 0.724 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451127656 1196974091 /nfs/dbraw/zinc/97/40/91/1196974091.db2.gz ANGQLBHRHWOVDA-OAGGEKHMSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2c(OC)cccc2OC)CC12COC2 ZINC000451133993 1196974490 /nfs/dbraw/zinc/97/44/90/1196974490.db2.gz KHRXISQJZKLVSO-HUUCEWRRSA-N 1 1 395.452 0.955 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137569 1196974746 /nfs/dbraw/zinc/97/47/46/1196974746.db2.gz PJDNIDQBIRPXFV-HOCLYGCPSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137569 1196974748 /nfs/dbraw/zinc/97/47/48/1196974748.db2.gz PJDNIDQBIRPXFV-HOCLYGCPSA-N 1 1 389.452 0.912 10 0 GCAEMO CN(C)c1nc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc[nH+]1 ZINC000530826165 1197020492 /nfs/dbraw/zinc/02/04/92/1197020492.db2.gz RPJKDZVAYDANSE-UHFFFAOYSA-N 1 1 390.469 0.152 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC12COC2 ZINC000452617633 1197073240 /nfs/dbraw/zinc/07/32/40/1197073240.db2.gz UVYCINGDCVILJL-AWEZNQCLSA-N 1 1 387.440 0.874 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531555745 1197082978 /nfs/dbraw/zinc/08/29/78/1197082978.db2.gz JIHWYVYPVFWHGZ-ZDUSSCGKSA-N 1 1 378.506 0.402 10 0 GCAEMO O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N1CC[NH+](CCO)CC1 ZINC000531669570 1197090543 /nfs/dbraw/zinc/09/05/43/1197090543.db2.gz SLGYETZOUCJGBY-INIZCTEOSA-N 1 1 397.497 0.781 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531918764 1197103948 /nfs/dbraw/zinc/10/39/48/1197103948.db2.gz OVSTYYHTFVHNQT-IAGOWNOFSA-N 1 1 381.498 0.968 10 0 GCAEMO CCOc1ccnc(N2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000532013658 1197107697 /nfs/dbraw/zinc/10/76/97/1197107697.db2.gz NGAGVWUXECATJT-IRXDYDNUSA-N 1 1 380.489 0.944 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000532173137 1197120355 /nfs/dbraw/zinc/12/03/55/1197120355.db2.gz QTHXICHGGXAMFJ-IAGOWNOFSA-N 1 1 392.504 0.849 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2F)CC1 ZINC000171036004 1197156726 /nfs/dbraw/zinc/15/67/26/1197156726.db2.gz GLEAHYGQZRXTDT-KRWDZBQOSA-N 1 1 388.443 0.987 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCCN1CC[N@@H+](C)CC13CCCCC3)c(=O)n2C ZINC000175065262 1197183320 /nfs/dbraw/zinc/18/33/20/1197183320.db2.gz GNZAEMOMWWLIBY-UHFFFAOYSA-N 1 1 388.516 0.774 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN(C)CC13CCCCC3)c(=O)n2C ZINC000175065262 1197183323 /nfs/dbraw/zinc/18/33/23/1197183323.db2.gz GNZAEMOMWWLIBY-UHFFFAOYSA-N 1 1 388.516 0.774 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN(C)CC13CCCCC3)c(=O)n2C ZINC000175065262 1197183325 /nfs/dbraw/zinc/18/33/25/1197183325.db2.gz GNZAEMOMWWLIBY-UHFFFAOYSA-N 1 1 388.516 0.774 10 0 GCAEMO Cn1cc(N2CCC[C@H](NC(=O)N3CCC([N@@H+](C)CCCO)CC3)C2)cn1 ZINC000175723428 1197184270 /nfs/dbraw/zinc/18/42/70/1197184270.db2.gz JSWHJDFUMIOQKA-INIZCTEOSA-N 1 1 378.521 0.877 10 0 GCAEMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000176382334 1197186851 /nfs/dbraw/zinc/18/68/51/1197186851.db2.gz JUFQGTAKEHJDDD-LJQANCHMSA-N 1 1 379.476 0.596 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063454 1197189384 /nfs/dbraw/zinc/18/93/84/1197189384.db2.gz PPHMGCGKIXOFEO-CQSZACIVSA-N 1 1 393.454 0.867 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(CC(=O)N(C)C)CC2)C1 ZINC000182190071 1197206769 /nfs/dbraw/zinc/20/67/69/1197206769.db2.gz KOYNNDBURUTSQG-SFHVURJKSA-N 1 1 382.549 0.650 10 0 GCAEMO C[C@@H](CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)CN1CC[NH+](C)CC1 ZINC000182854596 1197208424 /nfs/dbraw/zinc/20/84/24/1197208424.db2.gz FKKXPERLUMLRLE-WMZOPIPTSA-N 1 1 388.516 0.760 10 0 GCAEMO C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cn(-c2ccccc2)nn1 ZINC000185477037 1197214488 /nfs/dbraw/zinc/21/44/88/1197214488.db2.gz GFESZRIDCFDWBI-ZDUSSCGKSA-N 1 1 394.439 0.365 10 0 GCAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000186122584 1197226964 /nfs/dbraw/zinc/22/69/64/1197226964.db2.gz PCNLJKIELKJWHZ-LBPRGKRZSA-N 1 1 397.888 0.573 10 0 GCAEMO COCCn1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000189772459 1197238669 /nfs/dbraw/zinc/23/86/69/1197238669.db2.gz WOFCZEOENFOUBK-UHFFFAOYSA-N 1 1 377.489 0.546 10 0 GCAEMO Cn1ncnc1COc1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000191097515 1197242614 /nfs/dbraw/zinc/24/26/14/1197242614.db2.gz WDXQDRVVISJMSB-UHFFFAOYSA-N 1 1 377.470 0.863 10 0 GCAEMO O[C@H](CN1CCOCC1)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304776 1197243305 /nfs/dbraw/zinc/24/33/05/1197243305.db2.gz XLKKCGICHHIXON-LBPRGKRZSA-N 1 1 395.451 0.762 10 0 GCAEMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccco4)nc4c(C(N)=O)ncn43)C[C@H]2C1 ZINC000192493212 1197246508 /nfs/dbraw/zinc/24/65/08/1197246508.db2.gz RMBFJQAVUKTYHF-TXEJJXNPSA-N 1 1 380.408 0.722 10 0 GCAEMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000453982922 1197295253 /nfs/dbraw/zinc/29/52/53/1197295253.db2.gz UHYQHMSUJPURSM-LBPRGKRZSA-N 1 1 376.432 0.993 10 0 GCAEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000453982922 1197295257 /nfs/dbraw/zinc/29/52/57/1197295257.db2.gz UHYQHMSUJPURSM-LBPRGKRZSA-N 1 1 376.432 0.993 10 0 GCAEMO CC(C)[C@H](CNC(=O)N1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000171006758 1197309498 /nfs/dbraw/zinc/30/94/98/1197309498.db2.gz JAXLNUWTVUTTHY-KRWDZBQOSA-N 1 1 375.521 0.580 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCn3cccn3)CC2)CC1 ZINC000114922681 1197336914 /nfs/dbraw/zinc/33/69/14/1197336914.db2.gz FEVIRCDAZXMSAI-UHFFFAOYSA-N 1 1 376.505 0.859 10 0 GCAEMO CCCNC(=O)CN(C)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119645033 1197340849 /nfs/dbraw/zinc/34/08/49/1197340849.db2.gz ZVBQFNONBAHHAW-JWTNVVGKSA-N 1 1 379.549 0.214 10 0 GCAEMO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000120599192 1197342248 /nfs/dbraw/zinc/34/22/48/1197342248.db2.gz ARWVZBDQVMSNPJ-BXUZGUMPSA-N 1 1 389.435 0.989 10 0 GCAEMO C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000332867269 1197345086 /nfs/dbraw/zinc/34/50/86/1197345086.db2.gz VXQJDSRUAUGOIP-DLBZAZTESA-N 1 1 382.505 0.235 10 0 GCAEMO C[C@@H](CN1CCOCC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000122007167 1197349406 /nfs/dbraw/zinc/34/94/06/1197349406.db2.gz BAKWUGBMAXFWRP-HTUJPFKRSA-N 1 1 379.549 0.660 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000041209638 1197351578 /nfs/dbraw/zinc/35/15/78/1197351578.db2.gz UFJDBDQKVBOYMW-OAHLLOKOSA-N 1 1 384.502 0.856 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC12COC2 ZINC000454230197 1197365993 /nfs/dbraw/zinc/36/59/93/1197365993.db2.gz QZGGIHLGGMFGNA-HZPDHXFCSA-N 1 1 383.489 0.564 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC12COC2 ZINC000454230194 1197366053 /nfs/dbraw/zinc/36/60/53/1197366053.db2.gz QZGGIHLGGMFGNA-CVEARBPZSA-N 1 1 383.489 0.564 10 0 GCAEMO CCn1cc(NC(=O)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000130193731 1197370856 /nfs/dbraw/zinc/37/08/56/1197370856.db2.gz LGIBSGCXZOQFRY-UHFFFAOYSA-N 1 1 376.505 0.908 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC12COC2 ZINC000454539331 1197419268 /nfs/dbraw/zinc/41/92/68/1197419268.db2.gz UNVJIFAODJVLNG-HNNXBMFYSA-N 1 1 376.457 1.413 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245708216 1197422135 /nfs/dbraw/zinc/42/21/35/1197422135.db2.gz YLVRXCRQPBGWKC-GVDBMIGSSA-N 1 1 379.505 0.986 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000245708211 1197422220 /nfs/dbraw/zinc/42/22/20/1197422220.db2.gz YLVRXCRQPBGWKC-BBWFWOEESA-N 1 1 379.505 0.986 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC12COC2 ZINC000454630636 1197423386 /nfs/dbraw/zinc/42/33/86/1197423386.db2.gz XWLCRSVHNQJMNA-IAGOWNOFSA-N 1 1 396.532 0.481 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)cc[nH+]1 ZINC000533071746 1197430358 /nfs/dbraw/zinc/43/03/58/1197430358.db2.gz KOJHAHIKKVMOMC-UHFFFAOYSA-N 1 1 387.444 0.284 10 0 GCAEMO CC[C@H](C)[C@@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)OC ZINC000245945938 1197440403 /nfs/dbraw/zinc/44/04/03/1197440403.db2.gz KMYFYKRUTGWKPG-WGALQRPISA-N 1 1 394.560 0.933 10 0 GCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066903599 1197467646 /nfs/dbraw/zinc/46/76/46/1197467646.db2.gz URVUAIYWZLHEKD-UHFFFAOYSA-N 1 1 397.545 0.602 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3noc(C)n3)CC2)CC1 ZINC000074611924 1197471948 /nfs/dbraw/zinc/47/19/48/1197471948.db2.gz PXQCPFCHONJYOR-UHFFFAOYSA-N 1 1 378.477 0.854 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247741282 1197477367 /nfs/dbraw/zinc/47/73/67/1197477367.db2.gz NRULRMOGEBFLBY-HZPDHXFCSA-N 1 1 386.456 0.881 10 0 GCAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000248841167 1197480103 /nfs/dbraw/zinc/48/01/03/1197480103.db2.gz NWLMZJSQSSCPNL-MCIONIFRSA-N 1 1 389.456 0.097 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCSC[C@H]2c2cnn(C)c2)C1 ZINC000248795229 1197480184 /nfs/dbraw/zinc/48/01/84/1197480184.db2.gz OTXLTGHJEYJNMU-MSOLQXFVSA-N 1 1 395.573 0.983 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476021664 1197587878 /nfs/dbraw/zinc/58/78/78/1197587878.db2.gz MFHJBJKWWFXOGO-SJLPKXTDSA-N 1 1 395.548 0.339 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000542793158 1199046676 /nfs/dbraw/zinc/04/66/76/1199046676.db2.gz SBDPNSACKMAOOL-SFHVURJKSA-N 1 1 395.525 0.621 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000542793158 1199046685 /nfs/dbraw/zinc/04/66/85/1199046685.db2.gz SBDPNSACKMAOOL-SFHVURJKSA-N 1 1 395.525 0.621 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000672084691 1199076871 /nfs/dbraw/zinc/07/68/71/1199076871.db2.gz JVGCVPTWGCXLMB-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO C[C@H]1C[C@H](N(C)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC[N@H+]1C ZINC000172615294 1199101452 /nfs/dbraw/zinc/10/14/52/1199101452.db2.gz MOSXUOQEHCVYEN-FUHWJXTLSA-N 1 1 384.480 0.999 10 0 GCAEMO C[C@H]1C[C@@H](N(C)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC[N@H+]1C ZINC000172615307 1199101563 /nfs/dbraw/zinc/10/15/63/1199101563.db2.gz MOSXUOQEHCVYEN-WMZOPIPTSA-N 1 1 384.480 0.999 10 0 GCAEMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000542884152 1199135827 /nfs/dbraw/zinc/13/58/27/1199135827.db2.gz UAHFHKJTKRSINL-FGTMMUONSA-N 1 1 390.546 0.869 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000672223446 1199164423 /nfs/dbraw/zinc/16/44/23/1199164423.db2.gz FSOYSUGGNGLDIL-KBPBESRZSA-N 1 1 379.530 0.913 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000672223446 1199164425 /nfs/dbraw/zinc/16/44/25/1199164425.db2.gz FSOYSUGGNGLDIL-KBPBESRZSA-N 1 1 379.530 0.913 10 0 GCAEMO C[NH+]1CCN(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000111573472 1199169931 /nfs/dbraw/zinc/16/99/31/1199169931.db2.gz IJCHHMWVZKFCKE-UHFFFAOYSA-N 1 1 394.903 0.637 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000672311711 1199204904 /nfs/dbraw/zinc/20/49/04/1199204904.db2.gz QFKCWTCKASUJIY-INIZCTEOSA-N 1 1 375.448 0.470 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000672419399 1199231692 /nfs/dbraw/zinc/23/16/92/1199231692.db2.gz WVYXTSLPVADHCQ-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@@H+]3C[C@H]1C)CC2 ZINC000672418496 1199232004 /nfs/dbraw/zinc/23/20/04/1199232004.db2.gz LVLQTYBYIVHRRT-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@H+]3C[C@H]1C)CC2 ZINC000672418496 1199232006 /nfs/dbraw/zinc/23/20/06/1199232006.db2.gz LVLQTYBYIVHRRT-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO Cn1cc(CNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000672491091 1199245304 /nfs/dbraw/zinc/24/53/04/1199245304.db2.gz ULSFMJRWQAWUHS-IBGZPJMESA-N 1 1 383.500 0.917 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640210 1199295328 /nfs/dbraw/zinc/29/53/28/1199295328.db2.gz UCZKLVWXYHSKJS-ZFWWWQNUSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640210 1199295330 /nfs/dbraw/zinc/29/53/30/1199295330.db2.gz UCZKLVWXYHSKJS-ZFWWWQNUSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640208 1199296571 /nfs/dbraw/zinc/29/65/71/1199296571.db2.gz UCZKLVWXYHSKJS-UKRRQHHQSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640208 1199296587 /nfs/dbraw/zinc/29/65/87/1199296587.db2.gz UCZKLVWXYHSKJS-UKRRQHHQSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747135 1199325333 /nfs/dbraw/zinc/32/53/33/1199325333.db2.gz XSUTXBKPCSSNKW-KDOFPFPSSA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747135 1199325338 /nfs/dbraw/zinc/32/53/38/1199325338.db2.gz XSUTXBKPCSSNKW-KDOFPFPSSA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)nc2c1 ZINC000672751938 1199330610 /nfs/dbraw/zinc/33/06/10/1199330610.db2.gz HRAZIRPHFSYLML-INIZCTEOSA-N 1 1 398.511 0.726 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[nH]c2c1 ZINC000672751938 1199330616 /nfs/dbraw/zinc/33/06/16/1199330616.db2.gz HRAZIRPHFSYLML-INIZCTEOSA-N 1 1 398.511 0.726 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[nH]c2c1 ZINC000672751938 1199330623 /nfs/dbraw/zinc/33/06/23/1199330623.db2.gz HRAZIRPHFSYLML-INIZCTEOSA-N 1 1 398.511 0.726 10 0 GCAEMO COc1cncc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000543070679 1199419443 /nfs/dbraw/zinc/41/94/43/1199419443.db2.gz CCCCSGPFVFSQPN-UHFFFAOYSA-N 1 1 378.458 0.457 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000466114006 1199452897 /nfs/dbraw/zinc/45/28/97/1199452897.db2.gz VNNXCSIHDMJZQK-OAHLLOKOSA-N 1 1 397.545 0.990 10 0 GCAEMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)C1CC1 ZINC000118121631 1199744596 /nfs/dbraw/zinc/74/45/96/1199744596.db2.gz TWQBLZIIPFWKBN-UHFFFAOYSA-N 1 1 383.452 0.831 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000124781991 1199855084 /nfs/dbraw/zinc/85/50/84/1199855084.db2.gz CKOIOJXCCJOMAM-KRWDZBQOSA-N 1 1 386.500 0.921 10 0 GCAEMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCN(C3CCOCC3)C1=O)n2C ZINC000673848182 1199959912 /nfs/dbraw/zinc/95/99/12/1199959912.db2.gz QUIZTCWXCLTVMC-CQSZACIVSA-N 1 1 386.456 0.544 10 0 GCAEMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)C1 ZINC000673884085 1199968242 /nfs/dbraw/zinc/96/82/42/1199968242.db2.gz STOWYPDGQUIFPR-MSOLQXFVSA-N 1 1 393.532 0.188 10 0 GCAEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673884162 1199968332 /nfs/dbraw/zinc/96/83/32/1199968332.db2.gz VEMQEUCEAIOMLN-SFHVURJKSA-N 1 1 395.548 0.434 10 0 GCAEMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673884162 1199968333 /nfs/dbraw/zinc/96/83/33/1199968333.db2.gz VEMQEUCEAIOMLN-SFHVURJKSA-N 1 1 395.548 0.434 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673883849 1199968338 /nfs/dbraw/zinc/96/83/38/1199968338.db2.gz QFINAGOOZBCIKP-IAGOWNOFSA-N 1 1 380.489 0.273 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625519023 1199994893 /nfs/dbraw/zinc/99/48/93/1199994893.db2.gz HQBYOSFGWXZQNU-OAHLLOKOSA-N 1 1 395.548 0.081 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625519023 1199994894 /nfs/dbraw/zinc/99/48/94/1199994894.db2.gz HQBYOSFGWXZQNU-OAHLLOKOSA-N 1 1 395.548 0.081 10 0 GCAEMO c1cc(CN2CCN3CCOC[C@H]3C2)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000543552255 1200114003 /nfs/dbraw/zinc/11/40/03/1200114003.db2.gz QJJFCVGOOWUUPU-FGZHOGPDSA-N 1 1 386.540 0.719 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ncn(CC(=O)NC)n3)cc2F)CC1 ZINC000172670370 1200288995 /nfs/dbraw/zinc/28/89/95/1200288995.db2.gz YAADUBZRGYOLMH-UHFFFAOYSA-N 1 1 389.435 0.557 10 0 GCAEMO C[NH+]1CCC(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)(N2CCCCC2)CC1 ZINC000172755003 1200294153 /nfs/dbraw/zinc/29/41/53/1200294153.db2.gz DCZJZPRKTISANK-MRXNPFEDSA-N 1 1 386.562 0.477 10 0 GCAEMO COC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685589 1200590818 /nfs/dbraw/zinc/59/08/18/1200590818.db2.gz CYRPOIJBEGNHRR-AZUAARDMSA-N 1 1 377.485 0.399 10 0 GCAEMO COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685589 1200590825 /nfs/dbraw/zinc/59/08/25/1200590825.db2.gz CYRPOIJBEGNHRR-AZUAARDMSA-N 1 1 377.485 0.399 10 0 GCAEMO Cn1ccnc1CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133057722 1200592376 /nfs/dbraw/zinc/59/23/76/1200592376.db2.gz PGMJZZLGUYJSLY-IBGZPJMESA-N 1 1 383.496 0.965 10 0 GCAEMO Cn1ccnc1CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133057722 1200592379 /nfs/dbraw/zinc/59/23/79/1200592379.db2.gz PGMJZZLGUYJSLY-IBGZPJMESA-N 1 1 383.496 0.965 10 0 GCAEMO CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000548026048 1200760795 /nfs/dbraw/zinc/76/07/95/1200760795.db2.gz SJLWANXNTAXCSS-YQQAZPJKSA-N 1 1 397.545 1.562 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000172921922 1201406744 /nfs/dbraw/zinc/40/67/44/1201406744.db2.gz XNUUAYWHRYSMSE-UHFFFAOYSA-N 1 1 376.432 0.846 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730097221 1201436180 /nfs/dbraw/zinc/43/61/80/1201436180.db2.gz IEVLFAFZSZWPGL-UHFFFAOYSA-N 1 1 388.468 0.519 10 0 GCAEMO Cc1nn(CCS(=O)(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)o1 ZINC000823664739 1201606340 /nfs/dbraw/zinc/60/63/40/1201606340.db2.gz HUDBDALXTMXCGP-INIZCTEOSA-N 1 1 380.470 0.681 10 0 GCAEMO CC[S@@](=O)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000735109168 1201678705 /nfs/dbraw/zinc/67/87/05/1201678705.db2.gz GUFMATCPPIFYQR-XGCWNURASA-N 1 1 394.541 0.952 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000735589711 1201694869 /nfs/dbraw/zinc/69/48/69/1201694869.db2.gz JZGSVIIVLSAWIS-QZTJIDSGSA-N 1 1 388.468 0.441 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000737214225 1201724213 /nfs/dbraw/zinc/72/42/13/1201724213.db2.gz DNXOERYRNKXZIS-PTFIGZPYSA-N 1 1 381.498 0.903 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1C1CC1 ZINC000770722346 1202108095 /nfs/dbraw/zinc/10/80/95/1202108095.db2.gz BJMUPXHUUZDVIM-HNNXBMFYSA-N 1 1 375.473 0.949 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1=O ZINC000771293339 1202133361 /nfs/dbraw/zinc/13/33/61/1202133361.db2.gz LBFKGXWJDDXLLN-VLIAUNLRSA-N 1 1 388.468 0.839 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC[N@@H+](C)C2CC2)C1=O ZINC000771307406 1202134428 /nfs/dbraw/zinc/13/44/28/1202134428.db2.gz MTTGLSOZUPQKRR-FQEVSTJZSA-N 1 1 388.468 0.981 10 0 GCAEMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000787631569 1205395869 /nfs/dbraw/zinc/39/58/69/1205395869.db2.gz VFDPYADYSCGTKG-QLFBSQMISA-N 1 1 380.489 0.522 10 0 GCAEMO C[C@H](CNC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)CN1CC[NH+](C)CC1 ZINC000790192280 1205458426 /nfs/dbraw/zinc/45/84/26/1205458426.db2.gz VUFKNCLUAHLQJQ-KDOFPFPSSA-N 1 1 392.931 0.923 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[S@](=O)CC ZINC000805608664 1205540876 /nfs/dbraw/zinc/54/08/76/1205540876.db2.gz GHRUTNBWPMVXKQ-XGCWNURASA-N 1 1 394.541 0.779 10 0 GCAEMO CCN(C(=O)C(=O)NCC[S@](=O)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805610717 1205540922 /nfs/dbraw/zinc/54/09/22/1205540922.db2.gz ISSHZKQWROUKAQ-WGDIFIGCSA-N 1 1 379.526 0.994 10 0 GCAEMO CCN(C(=O)C(=O)NCC[S@](=O)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805610717 1205540923 /nfs/dbraw/zinc/54/09/23/1205540923.db2.gz ISSHZKQWROUKAQ-WGDIFIGCSA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000805621251 1205541565 /nfs/dbraw/zinc/54/15/65/1205541565.db2.gz KGBAVLAOVRYUGC-ZDXGUKGBSA-N 1 1 377.510 0.462 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805621750 1205541622 /nfs/dbraw/zinc/54/16/22/1205541622.db2.gz OCSAFLRQAGIJPD-WGDIFIGCSA-N 1 1 379.526 0.852 10 0 GCAEMO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805817955 1205544531 /nfs/dbraw/zinc/54/45/31/1205544531.db2.gz HOSYIINWBZFWHC-HNNXBMFYSA-N 1 1 399.488 0.720 10 0 GCAEMO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805817955 1205544532 /nfs/dbraw/zinc/54/45/32/1205544532.db2.gz HOSYIINWBZFWHC-HNNXBMFYSA-N 1 1 399.488 0.720 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000774812962 1205916356 /nfs/dbraw/zinc/91/63/56/1205916356.db2.gz XWJUTPXQQXHJEC-CBZJRKILSA-N 1 1 395.525 0.833 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000015868838 210177795 /nfs/dbraw/zinc/17/77/95/210177795.db2.gz MASFCDFUGBSDNA-UHFFFAOYSA-N 1 1 389.543 0.629 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246929636 530146391 /nfs/dbraw/zinc/14/63/91/530146391.db2.gz BQFZSMHCUWBHBF-QWHCGFSZSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246929636 530146395 /nfs/dbraw/zinc/14/63/95/530146395.db2.gz BQFZSMHCUWBHBF-QWHCGFSZSA-N 1 1 393.303 0.812 10 0 GCAEMO C[C@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+]1CCO ZINC000188724664 530178706 /nfs/dbraw/zinc/17/87/06/530178706.db2.gz LLDCQDXGSCNBSG-JTQLQIEISA-N 1 1 375.210 0.825 10 0 GCAEMO C[C@H]1CN(C(=O)c2cncc(I)c2)CC[N@H+]1CCO ZINC000188724664 530178709 /nfs/dbraw/zinc/17/87/09/530178709.db2.gz LLDCQDXGSCNBSG-JTQLQIEISA-N 1 1 375.210 0.825 10 0 GCAEMO CC(C)N(CCCNC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000123521931 530179521 /nfs/dbraw/zinc/17/95/21/530179521.db2.gz ZXBMBOOIFNNOEA-CVEARBPZSA-N 1 1 376.567 0.577 10 0 GCAEMO Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)sc1S(N)(=O)=O ZINC000558786441 530214462 /nfs/dbraw/zinc/21/44/62/530214462.db2.gz LHRKSSOPIMLGMV-UHFFFAOYSA-N 1 1 383.503 0.282 10 0 GCAEMO NC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000108443218 530254266 /nfs/dbraw/zinc/25/42/66/530254266.db2.gz QIJDNLCZKBZWLA-UHFFFAOYSA-N 1 1 384.234 0.690 10 0 GCAEMO C[C@@H]1C[N@H+](CCCNC(=O)NCCCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000587124242 530310301 /nfs/dbraw/zinc/31/03/01/530310301.db2.gz PXAOVMBSTVZQPY-GASCZTMLSA-N 1 1 376.523 0.211 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@@H]2C1 ZINC000285276510 530392060 /nfs/dbraw/zinc/39/20/60/530392060.db2.gz ZQYQKPAYHLJUCJ-OLZOCXBDSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@@H]2C1 ZINC000285276510 530392062 /nfs/dbraw/zinc/39/20/62/530392062.db2.gz ZQYQKPAYHLJUCJ-OLZOCXBDSA-N 1 1 376.276 0.938 10 0 GCAEMO O=S(=O)(N1CCOCC1)N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000408101778 530397140 /nfs/dbraw/zinc/39/71/40/530397140.db2.gz TUCNYVGCDYTNES-UHFFFAOYSA-N 1 1 391.291 0.543 10 0 GCAEMO C[N@H+]1CCO[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)C[C@H]21 ZINC000408155052 530417502 /nfs/dbraw/zinc/41/75/02/530417502.db2.gz ORXZKHTXXCHPEA-ZJUUUORDSA-N 1 1 377.264 0.011 10 0 GCAEMO C[N@H+]1CCO[C@@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)C[C@@H]21 ZINC000408155051 530417684 /nfs/dbraw/zinc/41/76/84/530417684.db2.gz ORXZKHTXXCHPEA-VHSXEESVSA-N 1 1 377.264 0.011 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1CCO ZINC000187280384 530510329 /nfs/dbraw/zinc/51/03/29/530510329.db2.gz SZNNAOJUKNYXGN-SNVBAGLBSA-N 1 1 390.303 0.765 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)CC[N@H+]1CCO ZINC000187280384 530510331 /nfs/dbraw/zinc/51/03/31/530510331.db2.gz SZNNAOJUKNYXGN-SNVBAGLBSA-N 1 1 390.303 0.765 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)Cn3cc(Br)cn3)CC2)cc[nH+]1 ZINC000606792407 530512722 /nfs/dbraw/zinc/51/27/22/530512722.db2.gz OZIHPXWNXANUNH-UHFFFAOYSA-N 1 1 394.277 0.850 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072067276 530550503 /nfs/dbraw/zinc/55/05/03/530550503.db2.gz YZMMZQILEGKUJC-IXDOHACOSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072067276 530550506 /nfs/dbraw/zinc/55/05/06/530550506.db2.gz YZMMZQILEGKUJC-IXDOHACOSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000108718263 530689505 /nfs/dbraw/zinc/68/95/05/530689505.db2.gz YCBSGUDZGIUEHX-AWEZNQCLSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000108718263 530689508 /nfs/dbraw/zinc/68/95/08/530689508.db2.gz YCBSGUDZGIUEHX-AWEZNQCLSA-N 1 1 387.527 0.890 10 0 GCAEMO Cn1ncc(Br)c1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000487280556 530811683 /nfs/dbraw/zinc/81/16/83/530811683.db2.gz RHERJRKASLSHGT-NSHDSACASA-N 1 1 395.323 0.761 10 0 GCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364762125 530862051 /nfs/dbraw/zinc/86/20/51/530862051.db2.gz YFBORQUEZZGORN-ZNMIVQPWSA-N 1 1 375.535 0.614 10 0 GCAEMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510246353 530924953 /nfs/dbraw/zinc/92/49/53/530924953.db2.gz YSEHMFIWGIWWME-SECBINFHSA-N 1 1 388.412 0.024 10 0 GCAEMO CCS(=O)(=O)NCCCN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000132557819 530945989 /nfs/dbraw/zinc/94/59/89/530945989.db2.gz GPPUDESMDFNVNY-QGZVFWFLSA-N 1 1 376.567 0.043 10 0 GCAEMO C[N@H+]1CCC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000525035063 530992126 /nfs/dbraw/zinc/99/21/26/530992126.db2.gz OKKJTZXXOGKIBC-YOEHRIQHSA-N 1 1 385.555 0.978 10 0 GCAEMO O=C(CCN1CCN(c2ccc(Br)cn2)CC1)N1CC[NH2+]CC1 ZINC000262196884 530995093 /nfs/dbraw/zinc/99/50/93/530995093.db2.gz RZTJREYXGWPFJU-UHFFFAOYSA-N 1 1 382.306 0.788 10 0 GCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000107301861 531035888 /nfs/dbraw/zinc/03/58/88/531035888.db2.gz MNTACAPVUGXDTO-RYUDHWBXSA-N 1 1 386.440 0.292 10 0 GCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000107301861 531035894 /nfs/dbraw/zinc/03/58/94/531035894.db2.gz MNTACAPVUGXDTO-RYUDHWBXSA-N 1 1 386.440 0.292 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000545152068 531083120 /nfs/dbraw/zinc/08/31/20/531083120.db2.gz NKQYNYRJSHGWFZ-UHFFFAOYSA-N 1 1 376.548 0.316 10 0 GCAEMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000546571697 531091906 /nfs/dbraw/zinc/09/19/06/531091906.db2.gz OKPIYVHILFOUJA-CZUORRHYSA-N 1 1 387.527 0.474 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000553747054 531156263 /nfs/dbraw/zinc/15/62/63/531156263.db2.gz IKYXNUZPYFSNRD-LBPRGKRZSA-N 1 1 386.440 0.760 10 0 GCAEMO CN1c2cc(NC(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2OCC1=O ZINC000299762761 212033673 /nfs/dbraw/zinc/03/36/73/212033673.db2.gz XPFNTBFERPOPFN-GFCCVEGCSA-N 1 1 375.429 0.361 10 0 GCAEMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCN1CCCCC1=O ZINC000011874798 204359082 /nfs/dbraw/zinc/35/90/82/204359082.db2.gz GHPKBQBYXZPAEU-KRWDZBQOSA-N 1 1 378.517 0.886 10 0 GCAEMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000020599493 210351382 /nfs/dbraw/zinc/35/13/82/210351382.db2.gz HWSZLHNKWNUTQK-GOSISDBHSA-N 1 1 383.452 0.694 10 0 GCAEMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000020599493 210351385 /nfs/dbraw/zinc/35/13/85/210351385.db2.gz HWSZLHNKWNUTQK-GOSISDBHSA-N 1 1 383.452 0.694 10 0 GCAEMO COCCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCn3nc(C)cc3C)CC2)C1=O ZINC000097078085 570664350 /nfs/dbraw/zinc/66/43/50/570664350.db2.gz XFIYWRVDJRATTL-SFHVURJKSA-N 1 1 391.516 0.672 10 0 GCAEMO COCCN1CC[C@H]([N@H+]2CCCN(C(=O)CCn3nc(C)cc3C)CC2)C1=O ZINC000097078085 570664352 /nfs/dbraw/zinc/66/43/52/570664352.db2.gz XFIYWRVDJRATTL-SFHVURJKSA-N 1 1 391.516 0.672 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)cn1 ZINC000549659420 1192560538 /nfs/dbraw/zinc/56/05/38/1192560538.db2.gz HIXXRFMNNPDMTJ-SJORKVTESA-N 1 1 387.488 0.769 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)cn1 ZINC000549659420 1192560541 /nfs/dbraw/zinc/56/05/41/1192560541.db2.gz HIXXRFMNNPDMTJ-SJORKVTESA-N 1 1 387.488 0.769 10 0 GCAEMO CN(CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)S(=O)(=O)c1cccnc1 ZINC000261647907 1192634528 /nfs/dbraw/zinc/63/45/28/1192634528.db2.gz GDZHXXCXBYYCDO-INIZCTEOSA-N 1 1 375.454 0.270 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000332762499 1192901022 /nfs/dbraw/zinc/90/10/22/1192901022.db2.gz RNBFCPZHFUKMMQ-ROUUACIJSA-N 1 1 396.532 0.624 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614104064 1192903921 /nfs/dbraw/zinc/90/39/21/1192903921.db2.gz FGFNUCRSYMCHDB-IAGOWNOFSA-N 1 1 397.472 0.812 10 0 GCAEMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332830532 1192906388 /nfs/dbraw/zinc/90/63/88/1192906388.db2.gz DMWOAFJHEGDHBF-ARFHVFGLSA-N 1 1 396.513 0.417 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186645161 1184085228 /nfs/dbraw/zinc/08/52/28/1184085228.db2.gz CVZWQYFBIWZDNE-ROUUACIJSA-N 1 1 384.480 0.714 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000547675771 1184289904 /nfs/dbraw/zinc/28/99/04/1184289904.db2.gz SXWJGCVXYQZITM-IRXDYDNUSA-N 1 1 396.532 0.909 10 0 GCAEMO CC[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000179464563 1184387208 /nfs/dbraw/zinc/38/72/08/1184387208.db2.gz REXLNDODZQTFPC-CQSZACIVSA-N 1 1 375.464 0.521 10 0 GCAEMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)[C@@H](C)CO)CC1 ZINC000179509806 1184391182 /nfs/dbraw/zinc/39/11/82/1184391182.db2.gz SFSSMCZBDJQFGT-INIZCTEOSA-N 1 1 376.501 0.644 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000069527291 1184522471 /nfs/dbraw/zinc/52/24/71/1184522471.db2.gz QKQGDGOBKMBNQN-MRXNPFEDSA-N 1 1 381.498 0.849 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000246978142 1184576338 /nfs/dbraw/zinc/57/63/38/1184576338.db2.gz DVCOLGYHLZAYGC-WBVHZDCISA-N 1 1 380.514 0.984 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000510206350 1184610847 /nfs/dbraw/zinc/61/08/47/1184610847.db2.gz IASIFLPUNGRLOC-UHFFFAOYSA-N 1 1 398.529 0.185 10 0 GCAEMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510231610 1184628716 /nfs/dbraw/zinc/62/87/16/1184628716.db2.gz YJEHMUADDJCPOO-CYBMUJFWSA-N 1 1 388.534 0.795 10 0 GCAEMO CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000655648593 1184765687 /nfs/dbraw/zinc/76/56/87/1184765687.db2.gz FLJXJVUVXXZULN-JKSUJKDBSA-N 1 1 379.482 0.425 10 0 GCAEMO CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000655648593 1184765692 /nfs/dbraw/zinc/76/56/92/1184765692.db2.gz FLJXJVUVXXZULN-JKSUJKDBSA-N 1 1 379.482 0.425 10 0 GCAEMO CN(C)c1nc(N2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)cc[nH+]1 ZINC000510284995 1184781773 /nfs/dbraw/zinc/78/17/73/1184781773.db2.gz BRRXUGRCDFHUBB-UHFFFAOYSA-N 1 1 391.453 0.782 10 0 GCAEMO NS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000683875436 1185167599 /nfs/dbraw/zinc/16/75/99/1185167599.db2.gz UZOPULFCLGLAOH-INIZCTEOSA-N 1 1 378.498 0.609 10 0 GCAEMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)CC2)CC1 ZINC000684143079 1185495749 /nfs/dbraw/zinc/49/57/49/1185495749.db2.gz FYMBRVJSEARTAW-OAQYLSRUSA-N 1 1 390.528 0.616 10 0 GCAEMO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278662 1185568370 /nfs/dbraw/zinc/56/83/70/1185568370.db2.gz VTYSALDDUXPTOK-GVDBMIGSSA-N 1 1 379.501 0.774 10 0 GCAEMO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278662 1185568375 /nfs/dbraw/zinc/56/83/75/1185568375.db2.gz VTYSALDDUXPTOK-GVDBMIGSSA-N 1 1 379.501 0.774 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000156189468 1185648630 /nfs/dbraw/zinc/64/86/30/1185648630.db2.gz AEJWCMRHJSKQHF-QUCCMNQESA-N 1 1 388.512 0.633 10 0 GCAEMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581447395 1185697439 /nfs/dbraw/zinc/69/74/39/1185697439.db2.gz QIIGDQSXFJNVSZ-YJBOKZPZSA-N 1 1 385.468 0.442 10 0 GCAEMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581447395 1185697448 /nfs/dbraw/zinc/69/74/48/1185697448.db2.gz QIIGDQSXFJNVSZ-YJBOKZPZSA-N 1 1 385.468 0.442 10 0 GCAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000276484180 1185837654 /nfs/dbraw/zinc/83/76/54/1185837654.db2.gz OHGDYITXVISHEB-HZPDHXFCSA-N 1 1 376.505 0.780 10 0 GCAEMO Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2=O)n(C)n1 ZINC000276617324 1185929252 /nfs/dbraw/zinc/92/92/52/1185929252.db2.gz JPWZUELTPIIBDH-CABCVRRESA-N 1 1 385.472 0.982 10 0 GCAEMO C[C@@](O)(Cn1ccccc1=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000548388297 1186035420 /nfs/dbraw/zinc/03/54/20/1186035420.db2.gz KPXHUJQXBCVHKA-OAQYLSRUSA-N 1 1 384.480 0.538 10 0 GCAEMO C[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1n1ccnc1 ZINC000156550464 1186093253 /nfs/dbraw/zinc/09/32/53/1186093253.db2.gz IQWRKQMDSKCHOB-CABCVRRESA-N 1 1 385.472 0.603 10 0 GCAEMO C[NH+](C)CCN1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000728404760 1186116942 /nfs/dbraw/zinc/11/69/42/1186116942.db2.gz PCRGXNBYLZCFTR-UHFFFAOYSA-N 1 1 389.525 0.781 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NCCNC(=O)c3ccn[nH]3)cc2F)CC1 ZINC000180949554 1186220196 /nfs/dbraw/zinc/22/01/96/1186220196.db2.gz AOFKRWWQBVKSAM-UHFFFAOYSA-N 1 1 388.447 0.851 10 0 GCAEMO CCC[N@H+](CCO)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O ZINC000096967563 1186264361 /nfs/dbraw/zinc/26/43/61/1186264361.db2.gz NGXLJZSZCZTYKJ-UHFFFAOYSA-N 1 1 388.468 0.547 10 0 GCAEMO CCC[N@@H+](CCO)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O ZINC000096967563 1186264364 /nfs/dbraw/zinc/26/43/64/1186264364.db2.gz NGXLJZSZCZTYKJ-UHFFFAOYSA-N 1 1 388.468 0.547 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000684640443 1186287811 /nfs/dbraw/zinc/28/78/11/1186287811.db2.gz RJNFODWTNQOGRF-CQSZACIVSA-N 1 1 376.505 0.767 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684640443 1186287820 /nfs/dbraw/zinc/28/78/20/1186287820.db2.gz RJNFODWTNQOGRF-CQSZACIVSA-N 1 1 376.505 0.767 10 0 GCAEMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCCNC(=O)c2ccsc2)CC1 ZINC000119845117 1186545721 /nfs/dbraw/zinc/54/57/21/1186545721.db2.gz ZDXSNTPFMHFGGU-UHFFFAOYSA-N 1 1 380.514 0.881 10 0 GCAEMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCCNC(=O)c2ccsc2)CC1 ZINC000119845117 1186545726 /nfs/dbraw/zinc/54/57/26/1186545726.db2.gz ZDXSNTPFMHFGGU-UHFFFAOYSA-N 1 1 380.514 0.881 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000582523143 1186557344 /nfs/dbraw/zinc/55/73/44/1186557344.db2.gz TZWOXVPQVMZGTR-ZOBUZTSGSA-N 1 1 390.484 0.866 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](CCO)[C@@H]1CCc3ccccc31)c(=O)n2C ZINC000114467539 1186578094 /nfs/dbraw/zinc/57/80/94/1186578094.db2.gz NFOFIJQFLBFJTE-QGZVFWFLSA-N 1 1 397.479 0.806 10 0 GCAEMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000255518425 1186604624 /nfs/dbraw/zinc/60/46/24/1186604624.db2.gz GXMLZVMTZVNLGQ-NVXWUHKLSA-N 1 1 388.516 0.453 10 0 GCAEMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000255518425 1186604625 /nfs/dbraw/zinc/60/46/25/1186604625.db2.gz GXMLZVMTZVNLGQ-NVXWUHKLSA-N 1 1 388.516 0.453 10 0 GCAEMO Cc1nc(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1C ZINC000066903611 1186605874 /nfs/dbraw/zinc/60/58/74/1186605874.db2.gz WVIOUXXGSHUGOK-UHFFFAOYSA-N 1 1 383.518 0.293 10 0 GCAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000153151057 1186629842 /nfs/dbraw/zinc/62/98/42/1186629842.db2.gz CGRNSGHEDNDBEP-SFHVURJKSA-N 1 1 382.464 0.767 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000277926782 1186708413 /nfs/dbraw/zinc/70/84/13/1186708413.db2.gz TZGFGDUWQMLSRU-QGZVFWFLSA-N 1 1 388.468 0.385 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(Cc3cccnc3)CC2)C1 ZINC000125244152 1186810640 /nfs/dbraw/zinc/81/06/40/1186810640.db2.gz MGDAGZGWTNBZHU-FQEVSTJZSA-N 1 1 389.544 0.672 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000155485567 1186817905 /nfs/dbraw/zinc/81/79/05/1186817905.db2.gz BHXIFWKQAAGEAA-AWEZNQCLSA-N 1 1 385.472 0.838 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000545151023 1186866835 /nfs/dbraw/zinc/86/68/35/1186866835.db2.gz JPUFEPSHZZDLIO-INIZCTEOSA-N 1 1 384.488 0.996 10 0 GCAEMO CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000375739918 1186878861 /nfs/dbraw/zinc/87/88/61/1186878861.db2.gz CSKKKZHQEOLPSD-GOSISDBHSA-N 1 1 378.517 0.790 10 0 GCAEMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000329480861 1186947508 /nfs/dbraw/zinc/94/75/08/1186947508.db2.gz QYDMMUKMYOZYKV-QGZVFWFLSA-N 1 1 376.501 0.402 10 0 GCAEMO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000329512230 1186954882 /nfs/dbraw/zinc/95/48/82/1186954882.db2.gz KXUWSJKVVFDLFQ-SJLPKXTDSA-N 1 1 379.526 0.868 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000458714741 1186956700 /nfs/dbraw/zinc/95/67/00/1186956700.db2.gz QNQXUVODFXSKSV-SJORKVTESA-N 1 1 390.513 0.556 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000458714741 1186956701 /nfs/dbraw/zinc/95/67/01/1186956701.db2.gz QNQXUVODFXSKSV-SJORKVTESA-N 1 1 390.513 0.556 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)cc[nH+]1 ZINC000525682875 1186983280 /nfs/dbraw/zinc/98/32/80/1186983280.db2.gz MXXNHRNVLAEDQF-UHFFFAOYSA-N 1 1 389.481 0.909 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000158650721 1186985802 /nfs/dbraw/zinc/98/58/02/1186985802.db2.gz VKFVRAKGOJPFLW-UHFFFAOYSA-N 1 1 399.561 0.882 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584403646 1187051801 /nfs/dbraw/zinc/05/18/01/1187051801.db2.gz LYRYATYWKPKWMO-VGWMRTNUSA-N 1 1 398.504 0.385 10 0 GCAEMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472322934 1187073908 /nfs/dbraw/zinc/07/39/08/1187073908.db2.gz GVJCGNHAAUTTHJ-SFHVURJKSA-N 1 1 375.517 0.785 10 0 GCAEMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472322934 1187073912 /nfs/dbraw/zinc/07/39/12/1187073912.db2.gz GVJCGNHAAUTTHJ-SFHVURJKSA-N 1 1 375.517 0.785 10 0 GCAEMO CN(C(=O)CN1CCOCC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000468411760 1187172831 /nfs/dbraw/zinc/17/28/31/1187172831.db2.gz JLJLDXPUVUDESL-MSOLQXFVSA-N 1 1 380.533 0.641 10 0 GCAEMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000120103770 1187424341 /nfs/dbraw/zinc/42/43/41/1187424341.db2.gz JEJBKLIEMHQDFF-OAHLLOKOSA-N 1 1 393.513 0.609 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)NCC)C2)CC1 ZINC000472471540 1187610039 /nfs/dbraw/zinc/61/00/39/1187610039.db2.gz SPPYXFWJXPKOGU-HNNXBMFYSA-N 1 1 382.509 0.080 10 0 GCAEMO CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000472528504 1187703651 /nfs/dbraw/zinc/70/36/51/1187703651.db2.gz LPQOEXLGKQYVBR-IAGOWNOFSA-N 1 1 388.468 0.696 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 ZINC000173320857 1187722400 /nfs/dbraw/zinc/72/24/00/1187722400.db2.gz YEEAUKFMVKILPN-KCQAQPDRSA-N 1 1 378.448 0.705 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658901755 1187745214 /nfs/dbraw/zinc/74/52/14/1187745214.db2.gz MGOBRIWGLNPNGB-INIZCTEOSA-N 1 1 388.468 0.665 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332829462 1187787702 /nfs/dbraw/zinc/78/77/02/1187787702.db2.gz PUMSRCSKIBPOPJ-QBPKDAKJSA-N 1 1 399.557 0.697 10 0 GCAEMO CCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407979998 1187955970 /nfs/dbraw/zinc/95/59/70/1187955970.db2.gz DCHRZGNPTUGYOO-IUODEOHRSA-N 1 1 387.484 0.607 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000031934065 1189552368 /nfs/dbraw/zinc/55/23/68/1189552368.db2.gz VCWNIXXKSNUPKZ-UHFFFAOYSA-N 1 1 385.468 0.503 10 0 GCAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000584581315 1189581659 /nfs/dbraw/zinc/58/16/59/1189581659.db2.gz LYBAXJNPZMILNA-FVJLSDCUSA-N 1 1 392.544 0.989 10 0 GCAEMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000549467106 1189634718 /nfs/dbraw/zinc/63/47/18/1189634718.db2.gz PTIILBYWIPXCQE-ZACQAIPSSA-N 1 1 396.532 0.441 10 0 GCAEMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000150742049 1189792903 /nfs/dbraw/zinc/79/29/03/1189792903.db2.gz HKSYBNBOULTFLR-OKILXGFUSA-N 1 1 386.452 0.946 10 0 GCAEMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000150742049 1189792905 /nfs/dbraw/zinc/79/29/05/1189792905.db2.gz HKSYBNBOULTFLR-OKILXGFUSA-N 1 1 386.452 0.946 10 0 GCAEMO c1ccc(Cn2c([C@@H]3COCCO3)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)cc1 ZINC000549515541 1189871476 /nfs/dbraw/zinc/87/14/76/1189871476.db2.gz MBPQMMFZHIYCCM-MSOLQXFVSA-N 1 1 385.468 0.935 10 0 GCAEMO c1ccc(Cn2c([C@@H]3COCCO3)nnc2N2CC[N@H+]3CCOC[C@H]3C2)cc1 ZINC000549515541 1189871489 /nfs/dbraw/zinc/87/14/89/1189871489.db2.gz MBPQMMFZHIYCCM-MSOLQXFVSA-N 1 1 385.468 0.935 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408136721 1189934318 /nfs/dbraw/zinc/93/43/18/1189934318.db2.gz GNUUHGIUMDBUDE-HNNXBMFYSA-N 1 1 379.505 0.241 10 0 GCAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247190656 1193734529 /nfs/dbraw/zinc/73/45/29/1193734529.db2.gz SLYCWTQJAXCFNB-BPQIPLTHSA-N 1 1 394.541 0.389 10 0 GCAEMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)N1CCc2ccccc21 ZINC000247757035 1193742057 /nfs/dbraw/zinc/74/20/57/1193742057.db2.gz FBCMPHGDARHLTK-UHFFFAOYSA-N 1 1 386.496 0.442 10 0 GCAEMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000051999068 1193766871 /nfs/dbraw/zinc/76/68/71/1193766871.db2.gz HONYFLHNHYKHOT-UHFFFAOYSA-N 1 1 388.512 0.164 10 0 GCAEMO Cn1c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2n(c1=O)CCCC2 ZINC000333254515 1193876492 /nfs/dbraw/zinc/87/64/92/1193876492.db2.gz DYXOHALPSUGIRU-MRXNPFEDSA-N 1 1 375.517 0.765 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC000408462109 1193880475 /nfs/dbraw/zinc/88/04/75/1193880475.db2.gz CHVSSTPQZCWTPF-PMPSAXMXSA-N 1 1 396.513 0.855 10 0 GCAEMO Nc1ncnc2c1ncn2CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280574950 1194004794 /nfs/dbraw/zinc/00/47/94/1194004794.db2.gz MORPMSMHHPRZOL-IYBDPMFKSA-N 1 1 377.452 0.999 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000271799577 1194413356 /nfs/dbraw/zinc/41/33/56/1194413356.db2.gz JVQWEYIZXMEXMS-HZPDHXFCSA-N 1 1 390.488 0.832 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000261896599 1194800593 /nfs/dbraw/zinc/80/05/93/1194800593.db2.gz GDPMMKSBYHANMN-HNNXBMFYSA-N 1 1 382.424 0.312 10 0 GCAEMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000434799458 1194870366 /nfs/dbraw/zinc/87/03/66/1194870366.db2.gz SSXRQALSLGQLGJ-KBXCAEBGSA-N 1 1 376.413 0.059 10 0 GCAEMO C[C@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)C[NH+]1CCOCC1 ZINC000434922208 1194877012 /nfs/dbraw/zinc/87/70/12/1194877012.db2.gz ABKHDGYMYVLKRY-CQSZACIVSA-N 1 1 378.473 1.529 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NCC(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000435053909 1194885334 /nfs/dbraw/zinc/88/53/34/1194885334.db2.gz XUPLIUPQVLOCML-UHFFFAOYSA-N 1 1 382.468 0.664 10 0 GCAEMO C[C@H](NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000516328669 1195042969 /nfs/dbraw/zinc/04/29/69/1195042969.db2.gz BRQYKMFIUGIAFL-HNNXBMFYSA-N 1 1 387.484 0.301 10 0 GCAEMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000549990436 1195110111 /nfs/dbraw/zinc/11/01/11/1195110111.db2.gz ATYULVLQCGUDPC-CVEARBPZSA-N 1 1 376.457 0.076 10 0 GCAEMO C(CN1CCCC2(CCC[N@@H+](CCN3CCOCC3)C2)C1)N1CCOCC1 ZINC000517628638 1195202101 /nfs/dbraw/zinc/20/21/01/1195202101.db2.gz JXKOYNDCCFUQAQ-UHFFFAOYSA-N 1 1 380.577 0.829 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000544294143 1195337841 /nfs/dbraw/zinc/33/78/41/1195337841.db2.gz UGBQMMRZVCLBKJ-SFHVURJKSA-N 1 1 395.548 0.029 10 0 GCAEMO Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@@H](O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506632535 1195337874 /nfs/dbraw/zinc/33/78/74/1195337874.db2.gz BXXIELGHWMWJQP-QZTJIDSGSA-N 1 1 393.532 0.627 10 0 GCAEMO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187684234 1195420469 /nfs/dbraw/zinc/42/04/69/1195420469.db2.gz YCJHKHZSELMPQA-OAHLLOKOSA-N 1 1 382.530 0.211 10 0 GCAEMO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187684234 1195420471 /nfs/dbraw/zinc/42/04/71/1195420471.db2.gz YCJHKHZSELMPQA-OAHLLOKOSA-N 1 1 382.530 0.211 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1CCO ZINC000187732308 1195421457 /nfs/dbraw/zinc/42/14/57/1195421457.db2.gz BSRODXQXBNBRQC-LBPRGKRZSA-N 1 1 379.852 0.253 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC[N@H+]1CCO ZINC000187732308 1195421461 /nfs/dbraw/zinc/42/14/61/1195421461.db2.gz BSRODXQXBNBRQC-LBPRGKRZSA-N 1 1 379.852 0.253 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000473657213 1195431951 /nfs/dbraw/zinc/43/19/51/1195431951.db2.gz FCKXUKJGPXBVDS-AWEZNQCLSA-N 1 1 383.518 0.742 10 0 GCAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H]1CCCN(CCO)C1=O ZINC000473671853 1195436105 /nfs/dbraw/zinc/43/61/05/1195436105.db2.gz YGVNCUCMKDDIDH-SFHVURJKSA-N 1 1 390.484 0.666 10 0 GCAEMO COc1ccc([C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c2nccn2C)cc1 ZINC000550259347 1195471742 /nfs/dbraw/zinc/47/17/42/1195471742.db2.gz QCIHDLHBMOSPDV-MAUKXSAKSA-N 1 1 397.479 0.987 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000519680200 1195562348 /nfs/dbraw/zinc/56/23/48/1195562348.db2.gz LFJRJBFWLFQKSC-AVYPCKFXSA-N 1 1 391.468 0.196 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCc2cccc(OC)n2)CC1 ZINC000441259512 1195616861 /nfs/dbraw/zinc/61/68/61/1195616861.db2.gz RSTWVTPIKUCVPW-UHFFFAOYSA-N 1 1 377.489 0.923 10 0 GCAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509825 1195638826 /nfs/dbraw/zinc/63/88/26/1195638826.db2.gz JDSCFJZLCOADQV-NXEZZACHSA-N 1 1 378.404 0.736 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000328769134 1195664073 /nfs/dbraw/zinc/66/40/73/1195664073.db2.gz GIVRCNPBNXESFP-SQNIBIBYSA-N 1 1 390.528 0.790 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)[C@H]2C1 ZINC000328791109 1195667756 /nfs/dbraw/zinc/66/77/56/1195667756.db2.gz QRDJPMPBALYXQQ-RBUKOAKNSA-N 1 1 394.560 0.887 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000328834815 1195669844 /nfs/dbraw/zinc/66/98/44/1195669844.db2.gz SEVIPCOMCZPZGF-OXJNMPFZSA-N 1 1 391.516 0.540 10 0 GCAEMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188720090 1195737157 /nfs/dbraw/zinc/73/71/57/1195737157.db2.gz UAMSBWWFBKLSGL-DYVFJYSZSA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188720090 1195737161 /nfs/dbraw/zinc/73/71/61/1195737161.db2.gz UAMSBWWFBKLSGL-DYVFJYSZSA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188715457 1195737362 /nfs/dbraw/zinc/73/73/62/1195737362.db2.gz FRSKZDGEZSVZTF-DYVFJYSZSA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188715457 1195737363 /nfs/dbraw/zinc/73/73/63/1195737363.db2.gz FRSKZDGEZSVZTF-DYVFJYSZSA-N 1 1 376.436 0.429 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182608929 1195788092 /nfs/dbraw/zinc/78/80/92/1195788092.db2.gz DLCJSOZNTWGHKV-YJJAZYOBSA-N 1 1 391.560 0.355 10 0 GCAEMO CCc1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n(C)n1 ZINC000152356426 1195794017 /nfs/dbraw/zinc/79/40/17/1195794017.db2.gz LAVPHBKGQNQZFK-SJPCQFCGSA-N 1 1 388.516 0.690 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000550457450 1195979330 /nfs/dbraw/zinc/97/93/30/1195979330.db2.gz KKSGZKUSVZOQCY-JXFKEZNVSA-N 1 1 397.516 0.256 10 0 GCAEMO COC(=O)CCOc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000443160064 1196023704 /nfs/dbraw/zinc/02/37/04/1196023704.db2.gz CJENSVLBCCMWDO-UHFFFAOYSA-N 1 1 386.470 0.317 10 0 GCAEMO COC(=O)CCOc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000443160064 1196023705 /nfs/dbraw/zinc/02/37/05/1196023705.db2.gz CJENSVLBCCMWDO-UHFFFAOYSA-N 1 1 386.470 0.317 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000522042162 1196038833 /nfs/dbraw/zinc/03/88/33/1196038833.db2.gz LAPJBQOZQKEKRR-INIZCTEOSA-N 1 1 379.482 0.863 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000522042163 1196039042 /nfs/dbraw/zinc/03/90/42/1196039042.db2.gz LAPJBQOZQKEKRR-MRXNPFEDSA-N 1 1 379.482 0.863 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000443359998 1196042685 /nfs/dbraw/zinc/04/26/85/1196042685.db2.gz KUCFNRUBSCOMRF-UKRRQHHQSA-N 1 1 396.513 0.864 10 0 GCAEMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000550475416 1196050605 /nfs/dbraw/zinc/05/06/05/1196050605.db2.gz LOCWTADNOOBASS-LJQANCHMSA-N 1 1 388.512 0.686 10 0 GCAEMO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000550534395 1196079145 /nfs/dbraw/zinc/07/91/45/1196079145.db2.gz JFJPTAVFKMGCFC-ZWKOTPCHSA-N 1 1 375.469 0.819 10 0 GCAEMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000051382416 1196081116 /nfs/dbraw/zinc/08/11/16/1196081116.db2.gz ZDJUPURVRDERCF-LPHOPBHVSA-N 1 1 394.491 0.463 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550581987 1196093857 /nfs/dbraw/zinc/09/38/57/1196093857.db2.gz KKATVKSMCCZVRU-IAGOWNOFSA-N 1 1 380.533 0.759 10 0 GCAEMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000114379534 1196097089 /nfs/dbraw/zinc/09/70/89/1196097089.db2.gz OEXIVYTVJSOSHW-WMZOPIPTSA-N 1 1 375.517 0.836 10 0 GCAEMO CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@]2(CCOC2)O1 ZINC000474357622 1196111740 /nfs/dbraw/zinc/11/17/40/1196111740.db2.gz QNWLILQBDYBNLC-KXBFYZLASA-N 1 1 382.505 0.553 10 0 GCAEMO CN(C)c1nc(N2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)cc[nH+]1 ZINC000443759602 1196137401 /nfs/dbraw/zinc/13/74/01/1196137401.db2.gz HFNJQQLZKAPXLW-UHFFFAOYSA-N 1 1 397.892 0.684 10 0 GCAEMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C2CC2)CC1 ZINC000329214785 1196177174 /nfs/dbraw/zinc/17/71/74/1196177174.db2.gz LQXHKOBBDLYQRG-CYBMUJFWSA-N 1 1 378.498 0.392 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cccn1 ZINC000329437965 1196195264 /nfs/dbraw/zinc/19/52/64/1196195264.db2.gz JNVUSTWHNYEMTD-SJORKVTESA-N 1 1 377.489 0.616 10 0 GCAEMO CC(C)OC(=O)[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609889508 1196458143 /nfs/dbraw/zinc/45/81/43/1196458143.db2.gz YWYJGRIELDICRO-DLBZAZTESA-N 1 1 395.500 0.642 10 0 GCAEMO CCC(=O)N[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915957 1196566419 /nfs/dbraw/zinc/56/64/19/1196566419.db2.gz NAUCOAVHNOERMH-HOTGVXAUSA-N 1 1 381.521 0.629 10 0 GCAEMO COc1ccc2c(c1)ncc(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c2O ZINC000524137167 1196578555 /nfs/dbraw/zinc/57/85/55/1196578555.db2.gz GCNAIFIUQSXBAM-CYBMUJFWSA-N 1 1 386.452 0.854 10 0 GCAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000524134129 1196579214 /nfs/dbraw/zinc/57/92/14/1196579214.db2.gz NDDXSTGCFRLLOI-HNNXBMFYSA-N 1 1 377.489 0.880 10 0 GCAEMO CN(C(=O)CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000524156444 1196579682 /nfs/dbraw/zinc/57/96/82/1196579682.db2.gz QACDSMBKAVYNHH-UXHICEINSA-N 1 1 397.560 0.952 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)CC2)cc[nH+]1 ZINC000524772719 1196623473 /nfs/dbraw/zinc/62/34/73/1196623473.db2.gz MAUXXBMIXKYOKW-UHFFFAOYSA-N 1 1 396.498 0.214 10 0 GCAEMO CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524979302 1196641643 /nfs/dbraw/zinc/64/16/43/1196641643.db2.gz FYOOBYPVRLXUBN-AWEZNQCLSA-N 1 1 394.545 0.839 10 0 GCAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000193174605 1196662005 /nfs/dbraw/zinc/66/20/05/1196662005.db2.gz MUDLDTNHKYBRCC-KRWDZBQOSA-N 1 1 383.452 0.871 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)C(=O)NCc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000525288925 1196664729 /nfs/dbraw/zinc/66/47/29/1196664729.db2.gz IJKONWLVDWBFOL-UHFFFAOYSA-N 1 1 386.431 0.647 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)cc[nH+]1 ZINC000525485277 1196685328 /nfs/dbraw/zinc/68/53/28/1196685328.db2.gz ASJGWOJQBDMWBS-UHFFFAOYSA-N 1 1 398.467 0.386 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000525484314 1196685334 /nfs/dbraw/zinc/68/53/34/1196685334.db2.gz GJZZBGAJRZXQMF-UHFFFAOYSA-N 1 1 386.431 0.760 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)c3cccc(F)c3)CC2)cc[nH+]1 ZINC000525494441 1196686900 /nfs/dbraw/zinc/68/69/00/1196686900.db2.gz WXKCVVGUALOAHU-UHFFFAOYSA-N 1 1 386.431 0.760 10 0 GCAEMO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116165705 1196795667 /nfs/dbraw/zinc/79/56/67/1196795667.db2.gz WNGWRCXOEQOWJA-QUCCMNQESA-N 1 1 388.512 0.968 10 0 GCAEMO CC(=O)[C@@](C)(O)C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000450562518 1196936445 /nfs/dbraw/zinc/93/64/45/1196936445.db2.gz GXJZCLVFYFCPCA-SFHVURJKSA-N 1 1 383.514 0.231 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC12COC2 ZINC000451122917 1196973508 /nfs/dbraw/zinc/97/35/08/1196973508.db2.gz BGKYSUFDDCGRDR-KKUMJFAQSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC12COC2 ZINC000451122917 1196973511 /nfs/dbraw/zinc/97/35/11/1196973511.db2.gz BGKYSUFDDCGRDR-KKUMJFAQSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCCc2ccccc2OC)CC12COC2 ZINC000451128076 1196974266 /nfs/dbraw/zinc/97/42/66/1196974266.db2.gz WQSLHBUIEDCFKQ-INIZCTEOSA-N 1 1 376.453 0.865 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCCc2ccccc2OC)CC12COC2 ZINC000451128076 1196974270 /nfs/dbraw/zinc/97/42/70/1196974270.db2.gz WQSLHBUIEDCFKQ-INIZCTEOSA-N 1 1 376.453 0.865 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451132598 1196974530 /nfs/dbraw/zinc/97/45/30/1196974530.db2.gz JAWSADSAEDBUKD-GDBMZVCRSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000451134248 1196974582 /nfs/dbraw/zinc/97/45/82/1196974582.db2.gz KPAITKGINNEWQG-MRXNPFEDSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000451134248 1196974583 /nfs/dbraw/zinc/97/45/83/1196974583.db2.gz KPAITKGINNEWQG-MRXNPFEDSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137568 1196974626 /nfs/dbraw/zinc/97/46/26/1196974626.db2.gz PJDNIDQBIRPXFV-GOEBONIOSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137568 1196974628 /nfs/dbraw/zinc/97/46/28/1196974628.db2.gz PJDNIDQBIRPXFV-GOEBONIOSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451136338 1196974650 /nfs/dbraw/zinc/97/46/50/1196974650.db2.gz NKLYQVKNAGIDPF-MRXNPFEDSA-N 1 1 389.452 0.914 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC12COC2 ZINC000451135526 1196974845 /nfs/dbraw/zinc/97/48/45/1196974845.db2.gz MSSYXZQQPVSLTH-KRWDZBQOSA-N 1 1 391.468 0.435 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC12COC2 ZINC000451135526 1196974848 /nfs/dbraw/zinc/97/48/48/1196974848.db2.gz MSSYXZQQPVSLTH-KRWDZBQOSA-N 1 1 391.468 0.435 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CC2)n[nH]1 ZINC000530584933 1196998004 /nfs/dbraw/zinc/99/80/04/1196998004.db2.gz DBKQWDBOTCBYGX-UHFFFAOYSA-N 1 1 397.527 0.970 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000451873478 1197020639 /nfs/dbraw/zinc/02/06/39/1197020639.db2.gz OWWPIDJKVJTEPA-KBPBESRZSA-N 1 1 378.439 0.882 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000451873478 1197020642 /nfs/dbraw/zinc/02/06/42/1197020642.db2.gz OWWPIDJKVJTEPA-KBPBESRZSA-N 1 1 378.439 0.882 10 0 GCAEMO COC(=O)c1c(OC)ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1OC ZINC000451877746 1197021498 /nfs/dbraw/zinc/02/14/98/1197021498.db2.gz KBEXVUWRCDWNOT-NWDGAFQWSA-N 1 1 384.454 0.815 10 0 GCAEMO O=C(C[N@@H+]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463614 1197037072 /nfs/dbraw/zinc/03/70/72/1197037072.db2.gz HCJWWDQOJQORJS-RBUKOAKNSA-N 1 1 392.544 0.787 10 0 GCAEMO O=C(C[N@H+]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463614 1197037077 /nfs/dbraw/zinc/03/70/77/1197037077.db2.gz HCJWWDQOJQORJS-RBUKOAKNSA-N 1 1 392.544 0.787 10 0 GCAEMO CN(C)c1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000531064321 1197044080 /nfs/dbraw/zinc/04/40/80/1197044080.db2.gz FZPUZSUNAXNMLV-UHFFFAOYSA-N 1 1 389.481 0.988 10 0 GCAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000531416869 1197074770 /nfs/dbraw/zinc/07/47/70/1197074770.db2.gz WFYSJAMTWMLGKZ-BRWVUGGUSA-N 1 1 398.504 0.841 10 0 GCAEMO Cc1cccc(C)c1OCCNC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000123119101 1197080034 /nfs/dbraw/zinc/08/00/34/1197080034.db2.gz VRJUJGPZGGIDOI-UHFFFAOYSA-N 1 1 390.528 0.894 10 0 GCAEMO Cc1cccc(C)c1OCCNC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000123119101 1197080039 /nfs/dbraw/zinc/08/00/39/1197080039.db2.gz VRJUJGPZGGIDOI-UHFFFAOYSA-N 1 1 390.528 0.894 10 0 GCAEMO CCOCc1ccc(CNC(=O)CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000123116401 1197080075 /nfs/dbraw/zinc/08/00/75/1197080075.db2.gz OXFIXKYPLRGZEL-UHFFFAOYSA-N 1 1 390.528 0.935 10 0 GCAEMO CCOCc1ccc(CNC(=O)CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000123116401 1197080079 /nfs/dbraw/zinc/08/00/79/1197080079.db2.gz OXFIXKYPLRGZEL-UHFFFAOYSA-N 1 1 390.528 0.935 10 0 GCAEMO O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N1CC[NH+](CCO)CC1 ZINC000531669571 1197090428 /nfs/dbraw/zinc/09/04/28/1197090428.db2.gz SLGYETZOUCJGBY-MRXNPFEDSA-N 1 1 397.497 0.781 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)n1 ZINC000532173138 1197120419 /nfs/dbraw/zinc/12/04/19/1197120419.db2.gz QTHXICHGGXAMFJ-IRXDYDNUSA-N 1 1 392.504 0.849 10 0 GCAEMO CCNC(=O)N1CC[C@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000532370201 1197149945 /nfs/dbraw/zinc/14/99/45/1197149945.db2.gz JUIIAAIOWJYFHU-KRWDZBQOSA-N 1 1 388.516 0.912 10 0 GCAEMO CCNC(=O)N1CC[C@@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000532370202 1197150036 /nfs/dbraw/zinc/15/00/36/1197150036.db2.gz JUIIAAIOWJYFHU-QGZVFWFLSA-N 1 1 388.516 0.912 10 0 GCAEMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171750267 1197158600 /nfs/dbraw/zinc/15/86/00/1197158600.db2.gz FEOSHKNGAZCEHD-RTBURBONSA-N 1 1 396.495 0.946 10 0 GCAEMO CNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000172849964 1197174441 /nfs/dbraw/zinc/17/44/41/1197174441.db2.gz OLUAYVXTACWIDR-UHFFFAOYSA-N 1 1 398.529 0.868 10 0 GCAEMO Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n1 ZINC000173485447 1197177395 /nfs/dbraw/zinc/17/73/95/1197177395.db2.gz HVUAXXSKMPJOMJ-JKSUJKDBSA-N 1 1 375.473 0.486 10 0 GCAEMO O=C(CC[N@H+]1CCCC[C@@H]1CN1CCOCC1)NC(=O)NCC(F)(F)F ZINC000177068625 1197189396 /nfs/dbraw/zinc/18/93/96/1197189396.db2.gz FTCMTURFNMTBID-CYBMUJFWSA-N 1 1 380.411 0.951 10 0 GCAEMO C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000178095344 1197192910 /nfs/dbraw/zinc/19/29/10/1197192910.db2.gz XOHRMUKWCPCSET-OAHLLOKOSA-N 1 1 385.472 0.792 10 0 GCAEMO COC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182582540 1197207837 /nfs/dbraw/zinc/20/78/37/1197207837.db2.gz KBEJGPAFDRRKFL-SWDXFRIISA-N 1 1 394.560 0.933 10 0 GCAEMO COc1cccc([C@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)CC[N@H+]2C2CC2)c1 ZINC000183242532 1197209076 /nfs/dbraw/zinc/20/90/76/1197209076.db2.gz DBXLEAGQZDSJBK-LPHOPBHVSA-N 1 1 384.436 0.639 10 0 GCAEMO COc1cccc([C@@H]2[C@@H](NC(=O)Cn3ccc(=O)n(C)c3=O)CC[N@H+]2C2CC2)c1 ZINC000183272120 1197209324 /nfs/dbraw/zinc/20/93/24/1197209324.db2.gz MHVKEVQUZSCHPL-FXAWDEMLSA-N 1 1 398.463 0.650 10 0 GCAEMO O=C(c1cc(N2CCCC2=O)ccc1F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186598847 1197228338 /nfs/dbraw/zinc/22/83/38/1197228338.db2.gz GERLVQUCUSWCOX-HNNXBMFYSA-N 1 1 388.443 0.989 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000186941627 1197229981 /nfs/dbraw/zinc/22/99/81/1197229981.db2.gz STZJPNQRFMWDMA-AWEZNQCLSA-N 1 1 391.488 0.939 10 0 GCAEMO CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000909674171 1197286515 /nfs/dbraw/zinc/28/65/15/1197286515.db2.gz PIGCEONUPBCSLD-GOSISDBHSA-N 1 1 389.452 0.121 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000170969344 1197308351 /nfs/dbraw/zinc/30/83/51/1197308351.db2.gz WXNQXMJHFJKRJG-GOSISDBHSA-N 1 1 394.541 0.717 10 0 GCAEMO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114721745 1197336607 /nfs/dbraw/zinc/33/66/07/1197336607.db2.gz FJZJMDVWENLGFJ-FUHWJXTLSA-N 1 1 380.533 0.546 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000124411735 1197352622 /nfs/dbraw/zinc/35/26/22/1197352622.db2.gz SJXVFKYQBURMHW-AWEZNQCLSA-N 1 1 394.907 0.823 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC12COC2 ZINC000454230195 1197365954 /nfs/dbraw/zinc/36/59/54/1197365954.db2.gz QZGGIHLGGMFGNA-HOTGVXAUSA-N 1 1 383.489 0.564 10 0 GCAEMO Cc1nn(C)c(C)c1OCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000132031460 1197378843 /nfs/dbraw/zinc/37/88/43/1197378843.db2.gz STSYUHJXRKPKID-UHFFFAOYSA-N 1 1 391.516 0.818 10 0 GCAEMO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC000132356039 1197379990 /nfs/dbraw/zinc/37/99/90/1197379990.db2.gz FBLYCHFZBRNOSS-INIZCTEOSA-N 1 1 398.529 0.772 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1S(N)(=O)=O ZINC000532688492 1197384244 /nfs/dbraw/zinc/38/42/44/1197384244.db2.gz YGGOOTNIKZWOPC-ZFWWWQNUSA-N 1 1 399.488 0.967 10 0 GCAEMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC(N2CCNC2=O)CC1 ZINC000194344358 1197398754 /nfs/dbraw/zinc/39/87/54/1197398754.db2.gz IMVGQKLVLIKSLZ-UHFFFAOYSA-N 1 1 385.512 0.820 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CCN1c1nccn2cnnc12 ZINC000532741825 1197408322 /nfs/dbraw/zinc/40/83/22/1197408322.db2.gz SGTOYNVFTLLGJX-BZUAXINKSA-N 1 1 376.461 0.191 10 0 GCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)C1 ZINC000533060460 1197430030 /nfs/dbraw/zinc/43/00/30/1197430030.db2.gz FRYXCWIIWDJDNB-WCIQWLHISA-N 1 1 397.560 0.855 10 0 GCAEMO CN(C)c1nccc(N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)n1 ZINC000533071671 1197430508 /nfs/dbraw/zinc/43/05/08/1197430508.db2.gz CMBZWEDQRCSNFV-UHFFFAOYSA-N 1 1 379.472 0.883 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000533154763 1197436223 /nfs/dbraw/zinc/43/62/23/1197436223.db2.gz QUYFNWMETBHSAE-FQEVSTJZSA-N 1 1 385.468 0.729 10 0 GCAEMO COCCN1C[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1=O ZINC000245894065 1197437287 /nfs/dbraw/zinc/43/72/87/1197437287.db2.gz KADPTJGREIKKKF-XNHLSEOASA-N 1 1 378.517 0.251 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000065727928 1197437344 /nfs/dbraw/zinc/43/73/44/1197437344.db2.gz WPHPXZBYLNXTGO-FNORWQNLSA-N 1 1 380.408 0.303 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000245922050 1197438961 /nfs/dbraw/zinc/43/89/61/1197438961.db2.gz OUUSPOJCMWMMIN-VQVIJEGRSA-N 1 1 386.562 0.583 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000065963581 1197448646 /nfs/dbraw/zinc/44/86/46/1197448646.db2.gz PGLSBTUTAPGFNS-UHFFFAOYSA-N 1 1 378.517 0.838 10 0 GCAEMO C[C@@H]1CCCN(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000066903642 1197467463 /nfs/dbraw/zinc/46/74/63/1197467463.db2.gz YYWRBUGMHFJLQW-MRXNPFEDSA-N 1 1 386.562 0.839 10 0 GCAEMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000075314684 1197472880 /nfs/dbraw/zinc/47/28/80/1197472880.db2.gz OVGQMNJSOBTAQA-MIGBEJBISA-N 1 1 377.533 0.996 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000247589999 1197476864 /nfs/dbraw/zinc/47/68/64/1197476864.db2.gz NBDGNNZQFRHUET-AZUAARDMSA-N 1 1 388.512 0.777 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000247589999 1197476866 /nfs/dbraw/zinc/47/68/66/1197476866.db2.gz NBDGNNZQFRHUET-AZUAARDMSA-N 1 1 388.512 0.777 10 0 GCAEMO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247741286 1197477543 /nfs/dbraw/zinc/47/75/43/1197477543.db2.gz NRULRMOGEBFLBY-JKSUJKDBSA-N 1 1 386.456 0.881 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247918728 1197477738 /nfs/dbraw/zinc/47/77/38/1197477738.db2.gz BKBLHLJEPXQWGQ-XKQJLSEDSA-N 1 1 391.497 0.649 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)C1 ZINC000248642639 1197479614 /nfs/dbraw/zinc/47/96/14/1197479614.db2.gz ZUBUTOIWJBYPPF-QZTJIDSGSA-N 1 1 382.549 0.873 10 0 GCAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000248841173 1197480144 /nfs/dbraw/zinc/48/01/44/1197480144.db2.gz NWLMZJSQSSCPNL-MJBXVCDLSA-N 1 1 389.456 0.097 10 0 GCAEMO CC[C@H](C)[C@H](NC(=O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(=O)OC ZINC000252442772 1197492681 /nfs/dbraw/zinc/49/26/81/1197492681.db2.gz DPMSGASCQCDPPI-SCTDSRPQSA-N 1 1 382.549 0.792 10 0 GCAEMO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253548121 1197502592 /nfs/dbraw/zinc/50/25/92/1197502592.db2.gz LVUGXPNTANWBRU-YJBOKZPZSA-N 1 1 397.479 0.843 10 0 GCAEMO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253548119 1197502604 /nfs/dbraw/zinc/50/26/04/1197502604.db2.gz LVUGXPNTANWBRU-MAUKXSAKSA-N 1 1 397.479 0.843 10 0 GCAEMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000261665963 1197510614 /nfs/dbraw/zinc/51/06/14/1197510614.db2.gz FSGYFOBARKQZCI-CQSZACIVSA-N 1 1 380.474 0.222 10 0 GCAEMO O=C(NC[C@@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261859725 1197516243 /nfs/dbraw/zinc/51/62/43/1197516243.db2.gz NAUYJPZOTIEKOJ-FUHWJXTLSA-N 1 1 383.500 0.785 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)CCOC(C)C ZINC000261910260 1197518389 /nfs/dbraw/zinc/51/83/89/1197518389.db2.gz HLAWQPVEOVCSAR-MRXNPFEDSA-N 1 1 399.513 0.513 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261911331 1197518413 /nfs/dbraw/zinc/51/84/13/1197518413.db2.gz HOGIATVBNRAILC-IUODEOHRSA-N 1 1 393.469 0.526 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCC(=O)NCCNC(C)=O ZINC000261934074 1197519619 /nfs/dbraw/zinc/51/96/19/1197519619.db2.gz JXBYAKKXFFMTMV-INIZCTEOSA-N 1 1 376.457 0.201 10 0 GCAEMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263069058 1197541180 /nfs/dbraw/zinc/54/11/80/1197541180.db2.gz WGIZLWYVJQJQCL-MRXNPFEDSA-N 1 1 396.438 0.961 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993686 1198960610 /nfs/dbraw/zinc/96/06/10/1198960610.db2.gz LJQGIMIBUOCENJ-SJORKVTESA-N 1 1 378.517 0.981 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993686 1198960613 /nfs/dbraw/zinc/96/06/13/1198960613.db2.gz LJQGIMIBUOCENJ-SJORKVTESA-N 1 1 378.517 0.981 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@H]31)CC2 ZINC000672418889 1199231969 /nfs/dbraw/zinc/23/19/69/1199231969.db2.gz RTLBBNZWEZJPAV-ARFHVFGLSA-N 1 1 388.516 0.775 10 0 GCAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000672418171 1199232236 /nfs/dbraw/zinc/23/22/36/1199232236.db2.gz APSPMXVASCLXQN-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO CN1C[C@H](NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC1=O ZINC000672626759 1199283928 /nfs/dbraw/zinc/28/39/28/1199283928.db2.gz MWRBQSCYWCKQND-QGZVFWFLSA-N 1 1 378.517 0.838 10 0 GCAEMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2)CC1 ZINC000672638155 1199291143 /nfs/dbraw/zinc/29/11/43/1199291143.db2.gz NEYFFJHMVDPRTQ-MRXNPFEDSA-N 1 1 388.516 0.400 10 0 GCAEMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2)CC1 ZINC000672638155 1199291148 /nfs/dbraw/zinc/29/11/48/1199291148.db2.gz NEYFFJHMVDPRTQ-MRXNPFEDSA-N 1 1 388.516 0.400 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747136 1199325092 /nfs/dbraw/zinc/32/50/92/1199325092.db2.gz XSUTXBKPCSSNKW-KSSFIOAISA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747136 1199325094 /nfs/dbraw/zinc/32/50/94/1199325094.db2.gz XSUTXBKPCSSNKW-KSSFIOAISA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[nH]n1 ZINC000672748238 1199325453 /nfs/dbraw/zinc/32/54/53/1199325453.db2.gz RQEWZAXYCJUUQV-PBHICJAKSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n[nH]1 ZINC000672748238 1199325456 /nfs/dbraw/zinc/32/54/56/1199325456.db2.gz RQEWZAXYCJUUQV-PBHICJAKSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n[nH]1 ZINC000672748238 1199325462 /nfs/dbraw/zinc/32/54/62/1199325462.db2.gz RQEWZAXYCJUUQV-PBHICJAKSA-N 1 1 376.505 0.004 10 0 GCAEMO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)cn1 ZINC000672889146 1199361756 /nfs/dbraw/zinc/36/17/56/1199361756.db2.gz GZXNMDOVWDVRKW-XYJFISCASA-N 1 1 388.516 0.448 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000466216250 1199561390 /nfs/dbraw/zinc/56/13/90/1199561390.db2.gz HEFUHMMQQONVAX-KRWDZBQOSA-N 1 1 386.504 0.730 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000466216250 1199561393 /nfs/dbraw/zinc/56/13/93/1199561393.db2.gz HEFUHMMQQONVAX-KRWDZBQOSA-N 1 1 386.504 0.730 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000466216250 1199561398 /nfs/dbraw/zinc/56/13/98/1199561398.db2.gz HEFUHMMQQONVAX-KRWDZBQOSA-N 1 1 386.504 0.730 10 0 GCAEMO COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118124066 1199744771 /nfs/dbraw/zinc/74/47/71/1199744771.db2.gz MQQSYUVJOAJGNY-SFHVURJKSA-N 1 1 376.501 0.956 10 0 GCAEMO Cc1ccc(NC(=O)CN2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N(C)C ZINC000126015795 1199904271 /nfs/dbraw/zinc/90/42/71/1199904271.db2.gz VWTXPHBNPPFSRD-UHFFFAOYSA-N 1 1 380.514 0.964 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673657175 1199920547 /nfs/dbraw/zinc/92/05/47/1199920547.db2.gz WIWUSBUDMABSSN-SFHVURJKSA-N 1 1 381.498 0.165 10 0 GCAEMO Cc1nnc(CN2CCN(C(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)CC2)[nH]1 ZINC000673841575 1199958616 /nfs/dbraw/zinc/95/86/16/1199958616.db2.gz ZDHMXTUCVHRUOI-UHFFFAOYSA-N 1 1 383.460 0.419 10 0 GCAEMO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673847692 1199959420 /nfs/dbraw/zinc/95/94/20/1199959420.db2.gz INSDIQCZGJOOTL-RXVVDRJESA-N 1 1 387.480 0.520 10 0 GCAEMO CN1CCN(c2ncccc2CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673870664 1199963305 /nfs/dbraw/zinc/96/33/05/1199963305.db2.gz PJIVHYWPPBRZND-UHFFFAOYSA-N 1 1 386.504 0.913 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C)CC1 ZINC000673875759 1199964795 /nfs/dbraw/zinc/96/47/95/1199964795.db2.gz FLBFGLQISXBHEB-QZTJIDSGSA-N 1 1 395.548 0.338 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000625567568 1200046482 /nfs/dbraw/zinc/04/64/82/1200046482.db2.gz VDIQUMMVRKCGRU-UHFFFAOYSA-N 1 1 397.564 0.186 10 0 GCAEMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000674277139 1200210989 /nfs/dbraw/zinc/21/09/89/1200210989.db2.gz TWFTWLYKXQCYHP-ZGXWSNOMSA-N 1 1 397.560 0.665 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2F)CC1 ZINC000172129881 1200260659 /nfs/dbraw/zinc/26/06/59/1200260659.db2.gz VTDJORARNHVLBN-KRWDZBQOSA-N 1 1 392.475 0.945 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000674942257 1200335843 /nfs/dbraw/zinc/33/58/43/1200335843.db2.gz YFSJQLHSWLHHOE-CVEARBPZSA-N 1 1 379.505 0.191 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000676092165 1200486231 /nfs/dbraw/zinc/48/62/31/1200486231.db2.gz ZSRQZODVKLYMDL-KRWDZBQOSA-N 1 1 392.504 0.097 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000676259760 1200520366 /nfs/dbraw/zinc/52/03/66/1200520366.db2.gz AZECRDZPPAMFJX-RDJZCZTQSA-N 1 1 383.514 0.759 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000676259760 1200520369 /nfs/dbraw/zinc/52/03/69/1200520369.db2.gz AZECRDZPPAMFJX-RDJZCZTQSA-N 1 1 383.514 0.759 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000504654918 1200573642 /nfs/dbraw/zinc/57/36/42/1200573642.db2.gz MMDIUCUZFXYCKX-KRWDZBQOSA-N 1 1 390.509 0.368 10 0 GCAEMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000544182283 1200610469 /nfs/dbraw/zinc/61/04/69/1200610469.db2.gz VVTLQJXLPYFOSH-CHWSQXEVSA-N 1 1 380.493 0.976 10 0 GCAEMO c1cnc(N2CC[NH+](CCCNc3nccc(-c4cnccn4)n3)CC2)nc1 ZINC000450238890 1200951121 /nfs/dbraw/zinc/95/11/21/1200951121.db2.gz XCGPOLXRRWLLCW-UHFFFAOYSA-N 1 1 377.456 1.348 10 0 GCAEMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)sc2n1 ZINC000193055559 1201191700 /nfs/dbraw/zinc/19/17/00/1201191700.db2.gz AITADTJRZCNSSX-ZDUSSCGKSA-N 1 1 377.470 0.530 10 0 GCAEMO CCS(=O)(=O)NCCN[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611266114 1201227087 /nfs/dbraw/zinc/22/70/87/1201227087.db2.gz JRMMYDAIFINCID-GOSISDBHSA-N 1 1 383.514 0.723 10 0 GCAEMO COC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732695819 1201556860 /nfs/dbraw/zinc/55/68/60/1201556860.db2.gz PLASWGVVVLUGOB-CVEARBPZSA-N 1 1 385.505 0.785 10 0 GCAEMO Cn1c(=O)c(C(=O)CN2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c(N)n(Cc2ccccc2)c1=O ZINC000823753954 1201607008 /nfs/dbraw/zinc/60/70/08/1201607008.db2.gz GAQZJCKTVKDWNZ-IYBDPMFKSA-N 1 1 397.479 0.139 10 0 GCAEMO Cn1c(=O)c(C(=O)CN2[C@@H]3CC[C@H]2C[N@H+](C)C3)c(N)n(Cc2ccccc2)c1=O ZINC000823753954 1201607019 /nfs/dbraw/zinc/60/70/19/1201607019.db2.gz GAQZJCKTVKDWNZ-IYBDPMFKSA-N 1 1 397.479 0.139 10 0 GCAEMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000823726759 1201607535 /nfs/dbraw/zinc/60/75/35/1201607535.db2.gz HCNYHVKBNSODRI-UHFFFAOYSA-N 1 1 380.392 0.495 10 0 GCAEMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784280 1201608367 /nfs/dbraw/zinc/60/83/67/1201608367.db2.gz IHJLDCVQPRQZKW-IPYPFGDCSA-N 1 1 386.493 0.243 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000735197203 1201682772 /nfs/dbraw/zinc/68/27/72/1201682772.db2.gz BFEWHSNIYZTWSW-SANMLTNESA-N 1 1 380.514 0.652 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000735478838 1201689291 /nfs/dbraw/zinc/68/92/91/1201689291.db2.gz JEIHNMIOKZAYQO-GDBMZVCRSA-N 1 1 377.514 0.630 10 0 GCAEMO Cc1cc(S(=O)(=O)NCCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c(C)s1 ZINC000828635180 1201717872 /nfs/dbraw/zinc/71/78/72/1201717872.db2.gz FPSMMCRRTDTFLU-WFASDCNBSA-N 1 1 375.516 0.215 10 0 GCAEMO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c(C)s1 ZINC000828635178 1201718274 /nfs/dbraw/zinc/71/82/74/1201718274.db2.gz FPSMMCRRTDTFLU-IUODEOHRSA-N 1 1 375.516 0.215 10 0 GCAEMO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000828697953 1201719053 /nfs/dbraw/zinc/71/90/53/1201719053.db2.gz ZYRNCLJOQDMTMW-IZRJCCQOSA-N 1 1 387.480 0.406 10 0 GCAEMO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000828697952 1201719487 /nfs/dbraw/zinc/71/94/87/1201719487.db2.gz ZYRNCLJOQDMTMW-IRUYWQDXSA-N 1 1 387.480 0.406 10 0 GCAEMO COC(=O)[C@]1(NC(=O)C(=O)NCC(F)F)CCC[N@H+](Cc2ccccc2)C1 ZINC000768029045 1201998229 /nfs/dbraw/zinc/99/82/29/1201998229.db2.gz SIBLBUCAURVJMN-SFHVURJKSA-N 1 1 383.395 0.692 10 0 GCAEMO COC(=O)[C@]1(NC(=O)C(=O)NCC(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000768029045 1201998231 /nfs/dbraw/zinc/99/82/31/1201998231.db2.gz SIBLBUCAURVJMN-SFHVURJKSA-N 1 1 383.395 0.692 10 0 GCAEMO Cn1ncc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C1CC1 ZINC000771490332 1202144261 /nfs/dbraw/zinc/14/42/61/1202144261.db2.gz LXJSPBSPMOEXIZ-INIZCTEOSA-N 1 1 375.473 0.949 10 0 GCAEMO CC[C@H](CNC(=O)C(=O)NCC[S@@](=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787631351 1205395706 /nfs/dbraw/zinc/39/57/06/1205395706.db2.gz JNZAMEFHYFHZFK-QUGAMOGWSA-N 1 1 379.526 0.824 10 0 GCAEMO CC[C@H](CNC(=O)C(=O)NCC[S@@](=O)CC)[N@H+]1CCc2ccccc2C1 ZINC000787631351 1205395708 /nfs/dbraw/zinc/39/57/08/1205395708.db2.gz JNZAMEFHYFHZFK-QUGAMOGWSA-N 1 1 379.526 0.824 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793842228 1205507044 /nfs/dbraw/zinc/50/70/44/1205507044.db2.gz PLDVQGCQDHNJMT-MRDQGFSESA-N 1 1 379.526 0.900 10 0 GCAEMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000793878263 1205507903 /nfs/dbraw/zinc/50/79/03/1205507903.db2.gz JUMQHRXRVFEOPT-MOPGFXCFSA-N 1 1 386.496 0.751 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805617771 1205541344 /nfs/dbraw/zinc/54/13/44/1205541344.db2.gz JYRVSDGBVBHPSX-ZRFOLKJESA-N 1 1 379.526 0.898 10 0 GCAEMO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805817956 1205544559 /nfs/dbraw/zinc/54/45/59/1205544559.db2.gz HOSYIINWBZFWHC-OAHLLOKOSA-N 1 1 399.488 0.720 10 0 GCAEMO COC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805817956 1205544560 /nfs/dbraw/zinc/54/45/60/1205544560.db2.gz HOSYIINWBZFWHC-OAHLLOKOSA-N 1 1 399.488 0.720 10 0 GCAEMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000363371719 530165925 /nfs/dbraw/zinc/16/59/25/530165925.db2.gz NITHSJYLRQYWFQ-AWEZNQCLSA-N 1 1 389.543 0.986 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154393192 530318676 /nfs/dbraw/zinc/31/86/76/530318676.db2.gz OVLRBTBVKKKOFD-ZDUSSCGKSA-N 1 1 385.262 0.698 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@H]2C1 ZINC000408026899 530348296 /nfs/dbraw/zinc/34/82/96/530348296.db2.gz HMDNDKUBDPQJAH-JKSUJKDBSA-N 1 1 388.511 0.325 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@H]2C1 ZINC000408026899 530348297 /nfs/dbraw/zinc/34/82/97/530348297.db2.gz HMDNDKUBDPQJAH-JKSUJKDBSA-N 1 1 388.511 0.325 10 0 GCAEMO C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173863544 530352941 /nfs/dbraw/zinc/35/29/41/530352941.db2.gz UYAZHCSSKPTZOF-OCCSQVGLSA-N 1 1 384.274 0.790 10 0 GCAEMO C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000173863562 530352946 /nfs/dbraw/zinc/35/29/46/530352946.db2.gz UYAZHCSSKPTZOF-TZMCWYRMSA-N 1 1 384.274 0.790 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000189469290 530384576 /nfs/dbraw/zinc/38/45/76/530384576.db2.gz ZJLBLFCWOHKGCK-LLVKDONJSA-N 1 1 385.262 0.698 10 0 GCAEMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000193281928 530392692 /nfs/dbraw/zinc/39/26/92/530392692.db2.gz NMADALQTINZLJL-JTQLQIEISA-N 1 1 388.209 0.835 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000568512881 530560721 /nfs/dbraw/zinc/56/07/21/530560721.db2.gz OTISHKHEUKQVIS-ZDUSSCGKSA-N 1 1 375.397 0.233 10 0 GCAEMO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000266144316 530607893 /nfs/dbraw/zinc/60/78/93/530607893.db2.gz DGYIZYPZFPMPQM-OLZOCXBDSA-N 1 1 375.516 0.698 10 0 GCAEMO C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000333306222 530657338 /nfs/dbraw/zinc/65/73/38/530657338.db2.gz IHWAQSYKPZPLME-OWCLPIDISA-N 1 1 375.535 0.964 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000181926382 530744584 /nfs/dbraw/zinc/74/45/84/530744584.db2.gz DCTSWEAZDARIQI-UHFFFAOYSA-N 1 1 380.392 0.543 10 0 GCAEMO CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000480481519 530766425 /nfs/dbraw/zinc/76/64/25/530766425.db2.gz JYXGTMAVWRDAJX-UHFFFAOYSA-N 1 1 384.483 0.845 10 0 GCAEMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000490251406 530827506 /nfs/dbraw/zinc/82/75/06/530827506.db2.gz OAGOXRKWTIIWLV-CVEARBPZSA-N 1 1 375.535 0.760 10 0 GCAEMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000492601106 530837492 /nfs/dbraw/zinc/83/74/92/530837492.db2.gz JXOSLZXWYKOMMF-CQSZACIVSA-N 1 1 376.523 0.068 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000116890991 530895938 /nfs/dbraw/zinc/89/59/38/530895938.db2.gz BQFZSMHCUWBHBF-STQMWFEESA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000116890991 530895943 /nfs/dbraw/zinc/89/59/43/530895943.db2.gz BQFZSMHCUWBHBF-STQMWFEESA-N 1 1 393.303 0.812 10 0 GCAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(CCCS(=O)(=O)C(C)C)CC2)C1 ZINC000120036343 530934311 /nfs/dbraw/zinc/93/43/11/530934311.db2.gz ZPSLTYSGICUPMR-GOSISDBHSA-N 1 1 375.579 0.927 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000172023287 530965243 /nfs/dbraw/zinc/96/52/43/530965243.db2.gz ATNXCZDHYDAMOI-STQMWFEESA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000172023287 530965245 /nfs/dbraw/zinc/96/52/45/530965245.db2.gz ATNXCZDHYDAMOI-STQMWFEESA-N 1 1 393.303 0.812 10 0 GCAEMO [NH3+]Cc1nc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)no1 ZINC000262175870 530995299 /nfs/dbraw/zinc/99/52/99/530995299.db2.gz IGLHMGKFSDOKJP-UHFFFAOYSA-N 1 1 389.840 0.827 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC2)CCO1 ZINC000372071904 530988613 /nfs/dbraw/zinc/98/86/13/530988613.db2.gz VRXFMFRXKPGXCX-HIFRSBDPSA-N 1 1 375.535 0.662 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000546568319 531091612 /nfs/dbraw/zinc/09/16/12/531091612.db2.gz LWBGBHANQXXPEW-UHFFFAOYSA-N 1 1 397.273 0.855 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000246098963 531134753 /nfs/dbraw/zinc/13/47/53/531134753.db2.gz OJODOKXZBBQOKR-ZWNOBZJWSA-N 1 1 399.289 0.931 10 0 GCAEMO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCN2CCCS2(=O)=O)CCCO1 ZINC000683374516 531178702 /nfs/dbraw/zinc/17/87/02/531178702.db2.gz GLOBQHCOKCOHIH-OAHLLOKOSA-N 1 1 376.523 0.212 10 0 GCAEMO C/C=C(\C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000238778378 209213834 /nfs/dbraw/zinc/21/38/34/209213834.db2.gz HRSGCYGUWHGOPY-DSHOOPJCSA-N 1 1 397.468 0.305 10 0 GCAEMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328641103 209152835 /nfs/dbraw/zinc/15/28/35/209152835.db2.gz QIEZZKVWKDJOHE-OAHLLOKOSA-N 1 1 385.534 0.361 10 0 GCAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328641103 209152837 /nfs/dbraw/zinc/15/28/37/209152837.db2.gz QIEZZKVWKDJOHE-OAHLLOKOSA-N 1 1 385.534 0.361 10 0 GCAEMO COc1ccnc(C[N@H+]2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)c1 ZINC000095363502 211224952 /nfs/dbraw/zinc/22/49/52/211224952.db2.gz CVMQQMSKKUJHBU-RHSMWYFYSA-N 1 1 384.502 0.155 10 0 GCAEMO COc1ccnc(C[N@@H+]2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)c1 ZINC000095363502 211224950 /nfs/dbraw/zinc/22/49/50/211224950.db2.gz CVMQQMSKKUJHBU-RHSMWYFYSA-N 1 1 384.502 0.155 10 0 GCAEMO Cn1c2ccc(S(=O)(=O)NC[C@@H]3CCc4[nH+]ccn4C3)cc2n(C)c1=O ZINC000275226699 570688825 /nfs/dbraw/zinc/68/88/25/570688825.db2.gz CUMGQPMEQGFMBK-LBPRGKRZSA-N 1 1 375.454 0.614 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000247231479 638454824 /nfs/dbraw/zinc/45/48/24/638454824.db2.gz XAQAWCPLRAFQQF-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000247231479 638454827 /nfs/dbraw/zinc/45/48/27/638454827.db2.gz XAQAWCPLRAFQQF-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000066076487 638580191 /nfs/dbraw/zinc/58/01/91/638580191.db2.gz KJPVQFICQSWMDI-SNVBAGLBSA-N 1 1 397.277 0.493 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccccc2I)CC1 ZINC000911634093 639520065 /nfs/dbraw/zinc/52/00/65/639520065.db2.gz ZKMYNUIBGBWPOB-ZDUSSCGKSA-N 1 1 387.221 0.982 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000186790389 640121725 /nfs/dbraw/zinc/12/17/25/640121725.db2.gz UYMOLUNPNXZFDM-GFCCVEGCSA-N 1 1 376.425 0.750 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000789706243 641397144 /nfs/dbraw/zinc/39/71/44/641397144.db2.gz PIAQJWZOWYHVPE-XMMPIXPASA-N 1 1 375.560 0.349 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000245958968 642061367 /nfs/dbraw/zinc/06/13/67/642061367.db2.gz DAXVPUSBIOCIFX-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000245958968 642061372 /nfs/dbraw/zinc/06/13/72/642061372.db2.gz DAXVPUSBIOCIFX-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000278894796 1192339011 /nfs/dbraw/zinc/33/90/11/1192339011.db2.gz FBUNUGHLIKXTQX-SJORKVTESA-N 1 1 388.516 0.784 10 0 GCAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC[N@@H+]1CCO ZINC000187255405 1192522080 /nfs/dbraw/zinc/52/20/80/1192522080.db2.gz MYAIFVBEUJOJBS-YLJYHZDGSA-N 1 1 396.491 0.948 10 0 GCAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC[N@H+]1CCO ZINC000187255405 1192522083 /nfs/dbraw/zinc/52/20/83/1192522083.db2.gz MYAIFVBEUJOJBS-YLJYHZDGSA-N 1 1 396.491 0.948 10 0 GCAEMO CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000279592589 1192560055 /nfs/dbraw/zinc/56/00/55/1192560055.db2.gz RNIBNVXWUQGLBG-HRCADAONSA-N 1 1 379.484 0.281 10 0 GCAEMO C[C@H]1Cc2cc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376648 1192572938 /nfs/dbraw/zinc/57/29/38/1192572938.db2.gz XKDUYAYCCDEMAO-UONOGXRCSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376648 1192572944 /nfs/dbraw/zinc/57/29/44/1192572944.db2.gz XKDUYAYCCDEMAO-UONOGXRCSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380510 1192587212 /nfs/dbraw/zinc/58/72/12/1192587212.db2.gz AAXHIGARRCVYJZ-XFMPKHEZSA-N 1 1 381.498 0.845 10 0 GCAEMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380510 1192587217 /nfs/dbraw/zinc/58/72/17/1192587217.db2.gz AAXHIGARRCVYJZ-XFMPKHEZSA-N 1 1 381.498 0.845 10 0 GCAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000549800515 1192885159 /nfs/dbraw/zinc/88/51/59/1192885159.db2.gz PVBISXFFMPPMKO-WBVHZDCISA-N 1 1 392.463 0.982 10 0 GCAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000549800512 1192885278 /nfs/dbraw/zinc/88/52/78/1192885278.db2.gz PVBISXFFMPPMKO-DOTOQJQBSA-N 1 1 392.463 0.982 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614104065 1192903791 /nfs/dbraw/zinc/90/37/91/1192903791.db2.gz FGFNUCRSYMCHDB-IRXDYDNUSA-N 1 1 397.472 0.812 10 0 GCAEMO CC(C)[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(=O)OC(C)(C)C ZINC000153947543 1184215574 /nfs/dbraw/zinc/21/55/74/1184215574.db2.gz OOOOJJIPYKDRLU-UHFFFAOYSA-N 1 1 393.488 0.876 10 0 GCAEMO CC(C)[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(=O)OC(C)(C)C ZINC000153947543 1184215581 /nfs/dbraw/zinc/21/55/81/1184215581.db2.gz OOOOJJIPYKDRLU-UHFFFAOYSA-N 1 1 393.488 0.876 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000547675770 1184289626 /nfs/dbraw/zinc/28/96/26/1184289626.db2.gz SXWJGCVXYQZITM-IAGOWNOFSA-N 1 1 396.532 0.909 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000547675772 1184290004 /nfs/dbraw/zinc/29/00/04/1184290004.db2.gz SXWJGCVXYQZITM-SJORKVTESA-N 1 1 396.532 0.909 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000255008248 1184422091 /nfs/dbraw/zinc/42/20/91/1184422091.db2.gz WPHPXZBYLNXTGO-ALCCZGGFSA-N 1 1 380.408 0.303 10 0 GCAEMO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510243148 1184640857 /nfs/dbraw/zinc/64/08/57/1184640857.db2.gz QQSIBQPRBOQKOQ-HNNXBMFYSA-N 1 1 389.518 0.049 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000510243811 1184642036 /nfs/dbraw/zinc/64/20/36/1184642036.db2.gz POAZFDHCIWAOPY-HNNXBMFYSA-N 1 1 397.497 0.204 10 0 GCAEMO CC(=O)N1CCN(C(=O)CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471369307 1184738532 /nfs/dbraw/zinc/73/85/32/1184738532.db2.gz DILBHMYHAZPDAG-UHFFFAOYSA-N 1 1 386.496 0.632 10 0 GCAEMO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2CC1 ZINC000655648700 1184766517 /nfs/dbraw/zinc/76/65/17/1184766517.db2.gz XEYGUVWVWVJHLH-ZWKOTPCHSA-N 1 1 393.509 0.073 10 0 GCAEMO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2CC1 ZINC000655648700 1184766523 /nfs/dbraw/zinc/76/65/23/1184766523.db2.gz XEYGUVWVWVJHLH-ZWKOTPCHSA-N 1 1 393.509 0.073 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000547982176 1184867976 /nfs/dbraw/zinc/86/79/76/1184867976.db2.gz SXXDOKBMBZJAES-NRFANRHFSA-N 1 1 389.496 0.719 10 0 GCAEMO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@@H+]1CCO ZINC000547985668 1184876188 /nfs/dbraw/zinc/87/61/88/1184876188.db2.gz KAKSONNAXLPWBE-AWEZNQCLSA-N 1 1 381.498 0.514 10 0 GCAEMO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@H+]1CCO ZINC000547985668 1184876193 /nfs/dbraw/zinc/87/61/93/1184876193.db2.gz KAKSONNAXLPWBE-AWEZNQCLSA-N 1 1 381.498 0.514 10 0 GCAEMO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C12CCOCC2 ZINC000581278661 1185568540 /nfs/dbraw/zinc/56/85/40/1185568540.db2.gz VTYSALDDUXPTOK-BRWVUGGUSA-N 1 1 379.501 0.774 10 0 GCAEMO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C12CCOCC2 ZINC000581278661 1185568545 /nfs/dbraw/zinc/56/85/45/1185568545.db2.gz VTYSALDDUXPTOK-BRWVUGGUSA-N 1 1 379.501 0.774 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278664 1185568755 /nfs/dbraw/zinc/56/87/55/1185568755.db2.gz VTYSALDDUXPTOK-YESZJQIVSA-N 1 1 379.501 0.774 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278664 1185568763 /nfs/dbraw/zinc/56/87/63/1185568763.db2.gz VTYSALDDUXPTOK-YESZJQIVSA-N 1 1 379.501 0.774 10 0 GCAEMO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)Cc1ccccc1 ZINC000581358299 1185613564 /nfs/dbraw/zinc/61/35/64/1185613564.db2.gz BFDDBPOAOAHUJQ-NRFANRHFSA-N 1 1 386.496 0.753 10 0 GCAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000581443954 1185690911 /nfs/dbraw/zinc/69/09/11/1185690911.db2.gz WVOOCBXHCYXBHM-APWZRJJASA-N 1 1 387.480 0.893 10 0 GCAEMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000255329497 1185793782 /nfs/dbraw/zinc/79/37/82/1185793782.db2.gz OAFDUHGGFUTNSZ-MRXNPFEDSA-N 1 1 388.516 0.455 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276611794 1185930088 /nfs/dbraw/zinc/93/00/88/1185930088.db2.gz RMAHATXFERFYFH-IRXDYDNUSA-N 1 1 377.464 0.472 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)n1cccn1 ZINC000328849661 1185970143 /nfs/dbraw/zinc/97/01/43/1185970143.db2.gz WHTAQZJDNWCHOC-ZWKOTPCHSA-N 1 1 390.532 0.531 10 0 GCAEMO Cc1c[nH+]cn1C1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000684479626 1185990594 /nfs/dbraw/zinc/99/05/94/1185990594.db2.gz RSGUZEKTOLNYCJ-UHFFFAOYSA-N 1 1 380.474 0.375 10 0 GCAEMO CCS(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000535672868 1186198283 /nfs/dbraw/zinc/19/82/83/1186198283.db2.gz ZNTKCARKXPGPBY-HNNXBMFYSA-N 1 1 381.498 0.797 10 0 GCAEMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000684681322 1186328291 /nfs/dbraw/zinc/32/82/91/1186328291.db2.gz FBZYUYCNBALTHO-CRAIPNDOSA-N 1 1 381.498 0.652 10 0 GCAEMO COc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000548641074 1186365379 /nfs/dbraw/zinc/36/53/79/1186365379.db2.gz FFUOIUMHKCOXJF-ZDUSSCGKSA-N 1 1 397.497 0.275 10 0 GCAEMO COc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000548641074 1186365385 /nfs/dbraw/zinc/36/53/85/1186365385.db2.gz FFUOIUMHKCOXJF-ZDUSSCGKSA-N 1 1 397.497 0.275 10 0 GCAEMO CC(C)CN1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1=O ZINC000582022038 1186373313 /nfs/dbraw/zinc/37/33/13/1186373313.db2.gz LJHNUYAGBJLEKB-MGNMYUMUSA-N 1 1 378.517 0.833 10 0 GCAEMO CCc1ncc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000152356105 1186483959 /nfs/dbraw/zinc/48/39/59/1186483959.db2.gz BMSDZGQASWPZHU-SJPCQFCGSA-N 1 1 386.500 0.747 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000158432842 1186502703 /nfs/dbraw/zinc/50/27/03/1186502703.db2.gz LAZDGURKCLLMNS-GOSISDBHSA-N 1 1 385.468 0.785 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000158451258 1186504777 /nfs/dbraw/zinc/50/47/77/1186504777.db2.gz NTGOMFNYQWWDJB-IAGOWNOFSA-N 1 1 388.516 0.847 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000582479867 1186546975 /nfs/dbraw/zinc/54/69/75/1186546975.db2.gz WHIVZSAATWAAQY-UHFFFAOYSA-N 1 1 391.516 0.950 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000582479867 1186546977 /nfs/dbraw/zinc/54/69/77/1186546977.db2.gz WHIVZSAATWAAQY-UHFFFAOYSA-N 1 1 391.516 0.950 10 0 GCAEMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000755150107 1186562639 /nfs/dbraw/zinc/56/26/39/1186562639.db2.gz YGBCIGHBRFKXIZ-DZGCQCFKSA-N 1 1 380.489 0.855 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000545164543 1186908900 /nfs/dbraw/zinc/90/89/00/1186908900.db2.gz LGBKMQDDLHQUHG-UHFFFAOYSA-N 1 1 379.482 0.938 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000583753697 1186932640 /nfs/dbraw/zinc/93/26/40/1186932640.db2.gz DOFPZNQVTWXRAZ-CQSZACIVSA-N 1 1 389.424 0.623 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000458714740 1186956791 /nfs/dbraw/zinc/95/67/91/1186956791.db2.gz QNQXUVODFXSKSV-IRXDYDNUSA-N 1 1 390.513 0.556 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000458714740 1186956792 /nfs/dbraw/zinc/95/67/92/1186956792.db2.gz QNQXUVODFXSKSV-IRXDYDNUSA-N 1 1 390.513 0.556 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592850 1186969717 /nfs/dbraw/zinc/96/97/17/1186969717.db2.gz ULUPXMDDYYHYEK-GBESFXJTSA-N 1 1 394.560 0.888 10 0 GCAEMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000151297541 1186974340 /nfs/dbraw/zinc/97/43/40/1186974340.db2.gz JEDZTHTVQIOVGQ-KRWDZBQOSA-N 1 1 388.516 0.896 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000158686316 1186987494 /nfs/dbraw/zinc/98/74/94/1186987494.db2.gz ZGLLDDWEBSVTOG-DLBZAZTESA-N 1 1 379.505 0.986 10 0 GCAEMO CCN1CCN([C@H]2CCN(C(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)C2)CC1 ZINC000584189191 1187012612 /nfs/dbraw/zinc/01/26/12/1187012612.db2.gz OYHIQMLSYWXUKT-ACBHZAAOSA-N 1 1 393.576 0.461 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584403645 1187051602 /nfs/dbraw/zinc/05/16/02/1187051602.db2.gz LYRYATYWKPKWMO-JONQDZQNSA-N 1 1 398.504 0.385 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C12CCOCC2 ZINC000685467380 1187132547 /nfs/dbraw/zinc/13/25/47/1187132547.db2.gz PKGPGCZSBNWXIR-WCXIOVBPSA-N 1 1 379.501 0.772 10 0 GCAEMO CC1(C)CN(CC(O)C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000376018859 1187546645 /nfs/dbraw/zinc/54/66/45/1187546645.db2.gz LLOTXLNYPGUEHK-NHCUHLMSSA-N 1 1 398.544 0.887 10 0 GCAEMO C(C1CC1)n1c([C@H]2COCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000612886736 1187610409 /nfs/dbraw/zinc/61/04/09/1187610409.db2.gz NEZPTYZMKLYLBR-IAGOWNOFSA-N 1 1 377.489 0.935 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 ZINC000173320831 1187722145 /nfs/dbraw/zinc/72/21/45/1187722145.db2.gz YEEAUKFMVKILPN-YDHLFZDLSA-N 1 1 378.448 0.705 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000173965846 1187745003 /nfs/dbraw/zinc/74/50/03/1187745003.db2.gz CEXSPLKUVJTXDX-LSDHHAIUSA-N 1 1 381.439 0.802 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000472553313 1187763050 /nfs/dbraw/zinc/76/30/50/1187763050.db2.gz WMAVBSMPXKCDLE-CQSZACIVSA-N 1 1 396.513 0.125 10 0 GCAEMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000332818089 1187784311 /nfs/dbraw/zinc/78/43/11/1187784311.db2.gz REIRFRWPZWLWPD-DJIMGWMZSA-N 1 1 397.541 0.403 10 0 GCAEMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2COC(=O)C2)cc[nH+]1 ZINC000328638958 1188115310 /nfs/dbraw/zinc/11/53/10/1188115310.db2.gz PGSCYXYVVQIQHG-RDBSUJKOSA-N 1 1 379.436 0.871 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000377953005 1189386247 /nfs/dbraw/zinc/38/62/47/1189386247.db2.gz PLDYLEGQFQTKDA-IAGOWNOFSA-N 1 1 382.505 0.422 10 0 GCAEMO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000511641444 1189706869 /nfs/dbraw/zinc/70/68/69/1189706869.db2.gz TZLPLPHSQQMRFV-OAHLLOKOSA-N 1 1 390.509 0.894 10 0 GCAEMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000511641444 1189706873 /nfs/dbraw/zinc/70/68/73/1189706873.db2.gz TZLPLPHSQQMRFV-OAHLLOKOSA-N 1 1 390.509 0.894 10 0 GCAEMO C[NH+](C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000408116273 1189913826 /nfs/dbraw/zinc/91/38/26/1189913826.db2.gz VIPHRIUAQJQUMN-KRWDZBQOSA-N 1 1 396.513 0.011 10 0 GCAEMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000473487712 1193796830 /nfs/dbraw/zinc/79/68/30/1193796830.db2.gz BNIDTIIAGWFQKC-INIZCTEOSA-N 1 1 388.516 0.763 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccnc(N4CCCC4)n3)CC2)cc[nH+]1 ZINC000513326916 1193938725 /nfs/dbraw/zinc/93/87/25/1193938725.db2.gz YSHBAESUCYGAQS-UHFFFAOYSA-N 1 1 382.472 0.895 10 0 GCAEMO CCOc1cccc(CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000514807575 1194913292 /nfs/dbraw/zinc/91/32/92/1194913292.db2.gz WHTQEJFQHLHKJJ-UHFFFAOYSA-N 1 1 377.485 0.659 10 0 GCAEMO COCCN(C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000638271002 1195015996 /nfs/dbraw/zinc/01/59/96/1195015996.db2.gz LASULGGPAWWMGH-IRXDYDNUSA-N 1 1 383.514 0.108 10 0 GCAEMO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000518105861 1195249185 /nfs/dbraw/zinc/24/91/85/1195249185.db2.gz IMSQYUMOLURTGC-IYBDPMFKSA-N 1 1 381.521 0.629 10 0 GCAEMO CCOC(=O)CC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506611565 1195330299 /nfs/dbraw/zinc/33/02/99/1195330299.db2.gz DDOZHXBQMLUUGU-MRXNPFEDSA-N 1 1 377.489 0.795 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000544294142 1195338066 /nfs/dbraw/zinc/33/80/66/1195338066.db2.gz UGBQMMRZVCLBKJ-GOSISDBHSA-N 1 1 395.548 0.029 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)c1ccc(F)cc1 ZINC000187705034 1195421230 /nfs/dbraw/zinc/42/12/30/1195421230.db2.gz RGTFVFQLIDNISY-GJZGRUSLSA-N 1 1 380.464 0.118 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)c1ccc(F)cc1 ZINC000187705034 1195421232 /nfs/dbraw/zinc/42/12/32/1195421232.db2.gz RGTFVFQLIDNISY-GJZGRUSLSA-N 1 1 380.464 0.118 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cccnc2N(C)C)CC1 ZINC000049158192 1195440900 /nfs/dbraw/zinc/44/09/00/1195440900.db2.gz FDKYBRRWZXIWHF-UHFFFAOYSA-N 1 1 376.505 0.937 10 0 GCAEMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)c1 ZINC000550192597 1195457058 /nfs/dbraw/zinc/45/70/58/1195457058.db2.gz HAUOHAPQGVNMEC-UHFFFAOYSA-N 1 1 379.424 0.398 10 0 GCAEMO C[N@@H+](CCO)C1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000550211711 1195461365 /nfs/dbraw/zinc/46/13/65/1195461365.db2.gz KKFFTAMLURVCQT-UHFFFAOYSA-N 1 1 399.495 0.446 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427494955 1195543865 /nfs/dbraw/zinc/54/38/65/1195543865.db2.gz AKJYWAGCUKVSIR-CQSZACIVSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427494955 1195543869 /nfs/dbraw/zinc/54/38/69/1195543869.db2.gz AKJYWAGCUKVSIR-CQSZACIVSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)CCCO)CC2)c1 ZINC000440938542 1195589994 /nfs/dbraw/zinc/58/99/94/1195589994.db2.gz JGLHBPKBXMESLK-UHFFFAOYSA-N 1 1 397.497 0.036 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C[C@H](C)O1 ZINC000328900722 1195672555 /nfs/dbraw/zinc/67/25/55/1195672555.db2.gz ZWXRUFVKSBMPFL-OGWHTMIXSA-N 1 1 397.541 0.813 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000441944697 1195934428 /nfs/dbraw/zinc/93/44/28/1195934428.db2.gz FZPWTHQIIUBBKR-CQSZACIVSA-N 1 1 383.460 0.322 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000442087373 1195950837 /nfs/dbraw/zinc/95/08/37/1195950837.db2.gz VNQOFGNMYPAMSB-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000442087373 1195950838 /nfs/dbraw/zinc/95/08/38/1195950838.db2.gz VNQOFGNMYPAMSB-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442112358 1195954829 /nfs/dbraw/zinc/95/48/29/1195954829.db2.gz PXRSLPJJGWFJCG-HNNXBMFYSA-N 1 1 394.497 0.452 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000550458831 1195987089 /nfs/dbraw/zinc/98/70/89/1195987089.db2.gz SQNXSSNEYTVRSK-LJQANCHMSA-N 1 1 388.512 0.808 10 0 GCAEMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000550475415 1196050492 /nfs/dbraw/zinc/05/04/92/1196050492.db2.gz LOCWTADNOOBASS-IBGZPJMESA-N 1 1 388.512 0.686 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000248164129 1196072194 /nfs/dbraw/zinc/07/21/94/1196072194.db2.gz SQIAWJXVNOFKNZ-RCCFBDPRSA-N 1 1 378.517 0.395 10 0 GCAEMO CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@]2(CCOC2)O1 ZINC000474357621 1196111636 /nfs/dbraw/zinc/11/16/36/1196111636.db2.gz QNWLILQBDYBNLC-HNAYVOBHSA-N 1 1 382.505 0.553 10 0 GCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329441658 1196196548 /nfs/dbraw/zinc/19/65/48/1196196548.db2.gz NDPRZTYRBLAKMN-GVDBMIGSSA-N 1 1 377.485 0.875 10 0 GCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000522771941 1196306534 /nfs/dbraw/zinc/30/65/34/1196306534.db2.gz AIPTZFYQSZOPBL-CQSZACIVSA-N 1 1 382.486 0.524 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000248221893 1196411829 /nfs/dbraw/zinc/41/18/29/1196411829.db2.gz IARACZCBYDZRMQ-RTBURBONSA-N 1 1 382.549 0.256 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000248221888 1196411966 /nfs/dbraw/zinc/41/19/66/1196411966.db2.gz IARACZCBYDZRMQ-OALUTQOASA-N 1 1 382.549 0.256 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000523615350 1196538657 /nfs/dbraw/zinc/53/86/57/1196538657.db2.gz CAJLNHSEBYGCKK-UHFFFAOYSA-N 1 1 383.518 0.744 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)cc[nH+]1 ZINC000524977396 1196642043 /nfs/dbraw/zinc/64/20/43/1196642043.db2.gz JZSDFVGWDGJPCO-UHFFFAOYSA-N 1 1 379.428 0.481 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)C[C@H](NC(N)=O)c3ccccc3)CC2)cc[nH+]1 ZINC000525289584 1196665129 /nfs/dbraw/zinc/66/51/29/1196665129.db2.gz QXUYFPDETFJVFY-INIZCTEOSA-N 1 1 397.483 0.991 10 0 GCAEMO Cn1cc(CCCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000114954666 1196743698 /nfs/dbraw/zinc/74/36/98/1196743698.db2.gz STCKKZICCUORFL-UHFFFAOYSA-N 1 1 390.532 0.938 10 0 GCAEMO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448970705 1196842834 /nfs/dbraw/zinc/84/28/34/1196842834.db2.gz ZEDIAKLWUSGODJ-UHFFFAOYSA-N 1 1 382.468 0.941 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)CC12COC2 ZINC000449367799 1196869842 /nfs/dbraw/zinc/86/98/42/1196869842.db2.gz YWDDCDZAHFDMHJ-INIZCTEOSA-N 1 1 378.473 0.577 10 0 GCAEMO CC(C)Cn1ccnc1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000119119961 1196879972 /nfs/dbraw/zinc/87/99/72/1196879972.db2.gz ZLYYZNMKGKMTCM-INIZCTEOSA-N 1 1 376.505 0.987 10 0 GCAEMO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000450268685 1196922822 /nfs/dbraw/zinc/92/28/22/1196922822.db2.gz HWBQYCVQGQFVJU-INIZCTEOSA-N 1 1 386.876 0.887 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137820 1196972563 /nfs/dbraw/zinc/97/25/63/1196972563.db2.gz POYWFICYKMEHFA-CZUORRHYSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137820 1196972565 /nfs/dbraw/zinc/97/25/65/1196972565.db2.gz POYWFICYKMEHFA-CZUORRHYSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131627 1196974240 /nfs/dbraw/zinc/97/42/40/1196974240.db2.gz HLVPQMGYNLICMA-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131627 1196974241 /nfs/dbraw/zinc/97/42/41/1196974241.db2.gz HLVPQMGYNLICMA-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC12COC2 ZINC000452610527 1197070542 /nfs/dbraw/zinc/07/05/42/1197070542.db2.gz FLQLALJAOCOOKV-ZDUSSCGKSA-N 1 1 387.440 0.686 10 0 GCAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000531416870 1197074815 /nfs/dbraw/zinc/07/48/15/1197074815.db2.gz WFYSJAMTWMLGKZ-IKGGRYGDSA-N 1 1 398.504 0.841 10 0 GCAEMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531872530 1197101674 /nfs/dbraw/zinc/10/16/74/1197101674.db2.gz VDKAFYVQAXYWRU-LJQANCHMSA-N 1 1 386.496 0.582 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)n1 ZINC000532173139 1197120287 /nfs/dbraw/zinc/12/02/87/1197120287.db2.gz QTHXICHGGXAMFJ-SJORKVTESA-N 1 1 392.504 0.849 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000171763314 1197158895 /nfs/dbraw/zinc/15/88/95/1197158895.db2.gz RVKXXXHAYMJHOE-GOSISDBHSA-N 1 1 381.565 0.909 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173969701 1197178548 /nfs/dbraw/zinc/17/85/48/1197178548.db2.gz ZDBZSWUISVAZMX-LBPRGKRZSA-N 1 1 378.395 0.068 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175491621 1197184300 /nfs/dbraw/zinc/18/43/00/1197184300.db2.gz IZXMNTAOOWMKDD-IBGZPJMESA-N 1 1 382.549 0.256 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H](C)[N@H+]1CCO ZINC000453925358 1197189372 /nfs/dbraw/zinc/18/93/72/1197189372.db2.gz CLZXNISGGLIJSL-GASCZTMLSA-N 1 1 375.473 0.534 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H](C)[N@@H+]1CCO ZINC000453925358 1197189374 /nfs/dbraw/zinc/18/93/74/1197189374.db2.gz CLZXNISGGLIJSL-GASCZTMLSA-N 1 1 375.473 0.534 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178484838 1197194336 /nfs/dbraw/zinc/19/43/36/1197194336.db2.gz CKUUPMDGJFATQR-RBUKOAKNSA-N 1 1 382.549 0.114 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CN4CCN3CC4)cc2F)CC1 ZINC000178782014 1197194769 /nfs/dbraw/zinc/19/47/69/1197194769.db2.gz SBGIWDSTLGMRPC-QGZVFWFLSA-N 1 1 375.492 0.697 10 0 GCAEMO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1-n1cccn1 ZINC000183167401 1197207803 /nfs/dbraw/zinc/20/78/03/1197207803.db2.gz BDUYKJUUYPUWLS-LBPRGKRZSA-N 1 1 379.424 0.997 10 0 GCAEMO C[C@H](CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)CN1CC[NH+](C)CC1 ZINC000182854577 1197208764 /nfs/dbraw/zinc/20/87/64/1197208764.db2.gz FKKXPERLUMLRLE-SJLPKXTDSA-N 1 1 388.516 0.760 10 0 GCAEMO COc1cccc([C@@H]2[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)CC[N@H+]2C2CC2)c1 ZINC000183242478 1197209465 /nfs/dbraw/zinc/20/94/65/1197209465.db2.gz DBXLEAGQZDSJBK-VQIMIIECSA-N 1 1 384.436 0.639 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H](C(=O)NC)C3)cc2F)CC1 ZINC000183981385 1197209877 /nfs/dbraw/zinc/20/98/77/1197209877.db2.gz QZUQHKGTDKFMJT-KRWDZBQOSA-N 1 1 378.448 0.555 10 0 GCAEMO Cn1nnc2ccc(C(=O)N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)cc21 ZINC000185227671 1197214239 /nfs/dbraw/zinc/21/42/39/1197214239.db2.gz YLUBBCQQOOWTBA-UHFFFAOYSA-N 1 1 384.484 0.985 10 0 GCAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000186149255 1197226926 /nfs/dbraw/zinc/22/69/26/1197226926.db2.gz DZRCMJYKIBEWCS-AEFFLSMTSA-N 1 1 388.516 0.902 10 0 GCAEMO O=C(c1cc(N2CCCC2=O)ccc1F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186598863 1197228178 /nfs/dbraw/zinc/22/81/78/1197228178.db2.gz GERLVQUCUSWCOX-OAHLLOKOSA-N 1 1 388.443 0.989 10 0 GCAEMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ccccn1 ZINC000188072072 1197231949 /nfs/dbraw/zinc/23/19/49/1197231949.db2.gz UXSUFOOYBGYMFQ-NRFANRHFSA-N 1 1 382.464 0.907 10 0 GCAEMO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000124743598 1197353884 /nfs/dbraw/zinc/35/38/84/1197353884.db2.gz NCPZWMQHFHDVCU-UHFFFAOYSA-N 1 1 378.498 0.789 10 0 GCAEMO C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCOCC1 ZINC000127215373 1197360454 /nfs/dbraw/zinc/36/04/54/1197360454.db2.gz BXFAACJDHOHEJC-GURQWTFNSA-N 1 1 393.576 0.907 10 0 GCAEMO CCNC(=O)N1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000127905767 1197362570 /nfs/dbraw/zinc/36/25/70/1197362570.db2.gz BXNFUWBJDLDJDI-XNHLSEOASA-N 1 1 392.548 0.743 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC12COC2 ZINC000454234656 1197367931 /nfs/dbraw/zinc/36/79/31/1197367931.db2.gz YZSVCBUFPDHESZ-XHSDSOJGSA-N 1 1 383.489 0.707 10 0 GCAEMO CCN1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000130489666 1197371912 /nfs/dbraw/zinc/37/19/12/1197371912.db2.gz VVUKZXYWDTUYKD-DOTOQJQBSA-N 1 1 392.887 0.892 10 0 GCAEMO CCN1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000130489666 1197371915 /nfs/dbraw/zinc/37/19/15/1197371915.db2.gz VVUKZXYWDTUYKD-DOTOQJQBSA-N 1 1 392.887 0.892 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000053476569 1197387333 /nfs/dbraw/zinc/38/73/33/1197387333.db2.gz NEGZQFNAKKDUDS-AWEZNQCLSA-N 1 1 394.422 0.644 10 0 GCAEMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000054258668 1197388761 /nfs/dbraw/zinc/38/87/61/1197388761.db2.gz KDNFDJUUJNMNCY-UHFFFAOYSA-N 1 1 382.867 0.945 10 0 GCAEMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000054258668 1197388763 /nfs/dbraw/zinc/38/87/63/1197388763.db2.gz KDNFDJUUJNMNCY-UHFFFAOYSA-N 1 1 382.867 0.945 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000056983491 1197392742 /nfs/dbraw/zinc/39/27/42/1197392742.db2.gz FXSFNDYMMHVJOW-MRXNPFEDSA-N 1 1 392.525 0.562 10 0 GCAEMO CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(=O)OC ZINC000532731256 1197406479 /nfs/dbraw/zinc/40/64/79/1197406479.db2.gz AJWRCWFCDXIEDD-RHSMWYFYSA-N 1 1 392.504 0.369 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC12COC2 ZINC000454328970 1197407801 /nfs/dbraw/zinc/40/78/01/1197407801.db2.gz PWAPZSIIQNSLHL-QGZVFWFLSA-N 1 1 396.532 0.625 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC12COC2 ZINC000454630637 1197423235 /nfs/dbraw/zinc/42/32/35/1197423235.db2.gz XWLCRSVHNQJMNA-IRXDYDNUSA-N 1 1 396.532 0.481 10 0 GCAEMO CC1CCC(NC(=O)CN2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)CC1 ZINC000533049891 1197428928 /nfs/dbraw/zinc/42/89/28/1197428928.db2.gz COTYQTDXLAQBKH-GHBBCFCZSA-N 1 1 397.560 0.855 10 0 GCAEMO COC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533071817 1197430513 /nfs/dbraw/zinc/43/05/13/1197430513.db2.gz RJDMZOSFXXGNBM-HNNXBMFYSA-N 1 1 392.504 0.369 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246019770 1197442760 /nfs/dbraw/zinc/44/27/60/1197442760.db2.gz NVLRSUQCDSKFCJ-CVEARBPZSA-N 1 1 395.529 0.734 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc[nH+]1 ZINC000533395633 1197449550 /nfs/dbraw/zinc/44/95/50/1197449550.db2.gz NJBBEJVGAUELPE-UHFFFAOYSA-N 1 1 395.467 0.650 10 0 GCAEMO CN(C)c1nc(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc[nH+]1 ZINC000533394200 1197449582 /nfs/dbraw/zinc/44/95/82/1197449582.db2.gz XBZNMEHKEXVNFL-UHFFFAOYSA-N 1 1 379.472 0.900 10 0 GCAEMO Cc1nn(C)c(C)c1CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066858490 1197467428 /nfs/dbraw/zinc/46/74/28/1197467428.db2.gz AKWCBDCCLAINNZ-UHFFFAOYSA-N 1 1 375.517 0.982 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000247124467 1197475029 /nfs/dbraw/zinc/47/50/29/1197475029.db2.gz WOSYAWMEPPRIPP-ROUUACIJSA-N 1 1 386.496 0.865 10 0 GCAEMO Cc1cc(CN2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)on1 ZINC000247946205 1197477608 /nfs/dbraw/zinc/47/76/08/1197477608.db2.gz WLGYVYBFNQXIKK-LJQANCHMSA-N 1 1 393.532 0.574 10 0 GCAEMO CC[C@H](CO)N1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000248070283 1197478270 /nfs/dbraw/zinc/47/82/70/1197478270.db2.gz QGLMNIBBRZLQAG-RCCFBDPRSA-N 1 1 380.533 0.234 10 0 GCAEMO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000249111609 1197481645 /nfs/dbraw/zinc/48/16/45/1197481645.db2.gz ARWVZBDQVMSNPJ-SMDDNHRTSA-N 1 1 389.435 0.989 10 0 GCAEMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000261665962 1197510418 /nfs/dbraw/zinc/51/04/18/1197510418.db2.gz FSGYFOBARKQZCI-AWEZNQCLSA-N 1 1 380.474 0.222 10 0 GCAEMO O=C(NC[C@@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261859729 1197516577 /nfs/dbraw/zinc/51/65/77/1197516577.db2.gz NAUYJPZOTIEKOJ-WMZOPIPTSA-N 1 1 383.500 0.785 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000261939605 1197519881 /nfs/dbraw/zinc/51/98/81/1197519881.db2.gz KJRDWKLPLIVITL-FOIQADDNSA-N 1 1 386.452 0.889 10 0 GCAEMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000333451035 1197522821 /nfs/dbraw/zinc/52/28/21/1197522821.db2.gz LUOMULQYLBFSIM-JKSUJKDBSA-N 1 1 390.488 0.224 10 0 GCAEMO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)o1 ZINC000262084279 1197524328 /nfs/dbraw/zinc/52/43/28/1197524328.db2.gz XWYAKPFUXSJBJQ-CYBMUJFWSA-N 1 1 379.438 0.983 10 0 GCAEMO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262544140 1197534059 /nfs/dbraw/zinc/53/40/59/1197534059.db2.gz SGOAFMJWYAMSMN-CQSZACIVSA-N 1 1 399.900 0.537 10 0 GCAEMO Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000508724453 1197566624 /nfs/dbraw/zinc/56/66/24/1197566624.db2.gz RUZZFXPMBAFWGS-CQSZACIVSA-N 1 1 377.470 0.406 10 0 GCAEMO Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000508724453 1197566628 /nfs/dbraw/zinc/56/66/28/1197566628.db2.gz RUZZFXPMBAFWGS-CQSZACIVSA-N 1 1 377.470 0.406 10 0 GCAEMO CC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1F ZINC000499408686 1199035176 /nfs/dbraw/zinc/03/51/76/1199035176.db2.gz ZNCOIRGPJWFKFI-UHFFFAOYSA-N 1 1 392.431 0.589 10 0 GCAEMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccn(C)n3)cc2)CC1 ZINC000765891309 1199051688 /nfs/dbraw/zinc/05/16/88/1199051688.db2.gz VQJZNJIUWSADEV-UHFFFAOYSA-N 1 1 398.467 0.453 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCCN1CCC[N@H+](C3CCCC3)CC1)c(=O)n2C ZINC000172579763 1199057500 /nfs/dbraw/zinc/05/75/00/1199057500.db2.gz LWLAEYMVDARSAM-UHFFFAOYSA-N 1 1 388.516 0.774 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC[N@H+]1C ZINC000172615289 1199101626 /nfs/dbraw/zinc/10/16/26/1199101626.db2.gz MOSXUOQEHCVYEN-SJLPKXTDSA-N 1 1 384.480 0.999 10 0 GCAEMO CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H]1c1cccnc1 ZINC000268996351 1199101666 /nfs/dbraw/zinc/10/16/66/1199101666.db2.gz SSFYXCDMZYTXOX-ZHALLVOQSA-N 1 1 399.495 0.366 10 0 GCAEMO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000172714853 1199158343 /nfs/dbraw/zinc/15/83/43/1199158343.db2.gz FXPUYULPGGHQEM-GOSISDBHSA-N 1 1 397.479 0.431 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672307931 1199197996 /nfs/dbraw/zinc/19/79/96/1199197996.db2.gz SKMNYCBHOGLTBC-KRWDZBQOSA-N 1 1 387.484 0.135 10 0 GCAEMO CCCn1cnc2c1c(=O)n(C[C@@H](O)C[N@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000064410639 1199206570 /nfs/dbraw/zinc/20/65/70/1199206570.db2.gz OSZPRMQAPRWPJW-KRWDZBQOSA-N 1 1 397.479 0.726 10 0 GCAEMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)nn1 ZINC000672402644 1199229360 /nfs/dbraw/zinc/22/93/60/1199229360.db2.gz ZDLCFWURAPBMRK-SJORKVTESA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)nn1 ZINC000672402644 1199229365 /nfs/dbraw/zinc/22/93/65/1199229365.db2.gz ZDLCFWURAPBMRK-SJORKVTESA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640204 1199295535 /nfs/dbraw/zinc/29/55/35/1199295535.db2.gz UCZKLVWXYHSKJS-DZGCQCFKSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640204 1199295536 /nfs/dbraw/zinc/29/55/36/1199295536.db2.gz UCZKLVWXYHSKJS-DZGCQCFKSA-N 1 1 376.505 0.050 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CC[C@H](CC(N)=O)C2)c2cccs2)CC1 ZINC000672682050 1199313941 /nfs/dbraw/zinc/31/39/41/1199313941.db2.gz BNJKGXVKHXFRGX-HUUCEWRRSA-N 1 1 379.530 0.944 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747134 1199325706 /nfs/dbraw/zinc/32/57/06/1199325706.db2.gz XSUTXBKPCSSNKW-KBXCAEBGSA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747134 1199325710 /nfs/dbraw/zinc/32/57/10/1199325710.db2.gz XSUTXBKPCSSNKW-KBXCAEBGSA-N 1 1 390.532 0.392 10 0 GCAEMO COc1ccc(CCN2C(=O)C[C@@H]([N@H+]3CC[C@H](CC(N)=O)C3)C2=O)cc1OC ZINC000672773054 1199331455 /nfs/dbraw/zinc/33/14/55/1199331455.db2.gz FASKSFOUEKRGTA-HUUCEWRRSA-N 1 1 389.452 0.571 10 0 GCAEMO C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)CN1CC[NH+](C)CC1 ZINC000114380278 1199390902 /nfs/dbraw/zinc/39/09/02/1199390902.db2.gz NPOOEDAVHUATAN-ZDUSSCGKSA-N 1 1 386.500 0.752 10 0 GCAEMO CCCn1cnc2c1c(=O)n(C[C@H](O)C[N@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000068257905 1199596570 /nfs/dbraw/zinc/59/65/70/1199596570.db2.gz OSZPRMQAPRWPJW-QGZVFWFLSA-N 1 1 397.479 0.726 10 0 GCAEMO COc1ccc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000116776739 1199634272 /nfs/dbraw/zinc/63/42/72/1199634272.db2.gz WEXAYYUVXVMONU-QGZVFWFLSA-N 1 1 390.484 0.484 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000118097476 1199742518 /nfs/dbraw/zinc/74/25/18/1199742518.db2.gz RDLNUOGXEZNHDC-KRWDZBQOSA-N 1 1 383.452 0.831 10 0 GCAEMO C[C@H](CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+](C)C1CC1 ZINC000118130484 1199744694 /nfs/dbraw/zinc/74/46/94/1199744694.db2.gz KKHBXGMXCCGTDV-CQSZACIVSA-N 1 1 383.452 0.829 10 0 GCAEMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852235 1199960436 /nfs/dbraw/zinc/96/04/36/1199960436.db2.gz XTLSPPVBEZOQJI-QAPCUYQASA-N 1 1 393.532 0.234 10 0 GCAEMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852235 1199960439 /nfs/dbraw/zinc/96/04/39/1199960439.db2.gz XTLSPPVBEZOQJI-QAPCUYQASA-N 1 1 393.532 0.234 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C)CC1 ZINC000673875758 1199964656 /nfs/dbraw/zinc/96/46/56/1199964656.db2.gz FLBFGLQISXBHEB-MSOLQXFVSA-N 1 1 395.548 0.338 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C)CC1 ZINC000673875761 1199964784 /nfs/dbraw/zinc/96/47/84/1199964784.db2.gz FLBFGLQISXBHEB-ZWKOTPCHSA-N 1 1 395.548 0.338 10 0 GCAEMO C[N@@H+](CCNC(=O)NCCCN1CCCS1(=O)=O)Cc1ccc(F)cc1 ZINC000674028358 1200125891 /nfs/dbraw/zinc/12/58/91/1200125891.db2.gz FDFISRRVHWLDPU-UHFFFAOYSA-N 1 1 386.493 0.982 10 0 GCAEMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@](C)(CO)COC)cc2)CC1 ZINC000674383968 1200232490 /nfs/dbraw/zinc/23/24/90/1200232490.db2.gz KBDJITRGPFHMAL-FQEVSTJZSA-N 1 1 392.500 0.912 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000670527216 1200405932 /nfs/dbraw/zinc/40/59/32/1200405932.db2.gz SWMLCTAEXJIMOH-QZTJIDSGSA-N 1 1 392.544 0.833 10 0 GCAEMO Cc1cc[nH+]c(N2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c1 ZINC000675976301 1200474722 /nfs/dbraw/zinc/47/47/22/1200474722.db2.gz HKAMDWOINKFVBU-UHFFFAOYSA-N 1 1 381.502 0.647 10 0 GCAEMO CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000676093810 1200485852 /nfs/dbraw/zinc/48/58/52/1200485852.db2.gz VKVVTIASKFZMJM-KRWDZBQOSA-N 1 1 390.463 0.941 10 0 GCAEMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676280186 1200528964 /nfs/dbraw/zinc/52/89/64/1200528964.db2.gz HOUCDPWEYCYXFM-WMLDXEAASA-N 1 1 376.457 0.297 10 0 GCAEMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280186 1200528967 /nfs/dbraw/zinc/52/89/67/1200528967.db2.gz HOUCDPWEYCYXFM-WMLDXEAASA-N 1 1 376.457 0.297 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000625962799 1200957566 /nfs/dbraw/zinc/95/75/66/1200957566.db2.gz RKVLQLDEZGEOIR-UHFFFAOYSA-N 1 1 384.521 0.365 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1 ZINC000730937508 1201468568 /nfs/dbraw/zinc/46/85/68/1201468568.db2.gz USXIGCBMNKVBBS-CYBMUJFWSA-N 1 1 395.481 0.549 10 0 GCAEMO COC1(OC)CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1O ZINC000824277588 1201640642 /nfs/dbraw/zinc/64/06/42/1201640642.db2.gz KAEXBVPYLUURJP-SFHVURJKSA-N 1 1 395.475 0.920 10 0 GCAEMO COc1cc(COCC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000824852501 1201650760 /nfs/dbraw/zinc/65/07/60/1201650760.db2.gz NMBZEFZWNGRFHD-UHFFFAOYSA-N 1 1 391.472 0.118 10 0 GCAEMO Cc1nn(CCS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(=O)o1 ZINC000825284801 1201658278 /nfs/dbraw/zinc/65/82/78/1201658278.db2.gz POMUWACMMYDBKW-MRXNPFEDSA-N 1 1 380.470 0.729 10 0 GCAEMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000735589714 1201694314 /nfs/dbraw/zinc/69/43/14/1201694314.db2.gz JZGSVIIVLSAWIS-ROUUACIJSA-N 1 1 388.468 0.441 10 0 GCAEMO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000827720759 1201707453 /nfs/dbraw/zinc/70/74/53/1201707453.db2.gz HIAQCZIRXSRSHM-ZACQAIPSSA-N 1 1 385.530 0.656 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cc2n(n1)CCCC2 ZINC000828026293 1201713422 /nfs/dbraw/zinc/71/34/22/1201713422.db2.gz DHPPKJIDNBPCFV-SFHVURJKSA-N 1 1 389.500 0.549 10 0 GCAEMO Cn1ncc(I)c1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000828407760 1201716900 /nfs/dbraw/zinc/71/69/00/1201716900.db2.gz KZEFIWZYTBLUSB-UHFFFAOYSA-N 1 1 385.209 0.677 10 0 GCAEMO Cn1ncc(I)c1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000828407760 1201716903 /nfs/dbraw/zinc/71/69/03/1201716903.db2.gz KZEFIWZYTBLUSB-UHFFFAOYSA-N 1 1 385.209 0.677 10 0 GCAEMO CN(C(=O)CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1)C1CCCCC1 ZINC000828637044 1201718573 /nfs/dbraw/zinc/71/85/73/1201718573.db2.gz UUGHJQLFXVVKHE-FXAWDEMLSA-N 1 1 380.533 0.377 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000737214217 1201724184 /nfs/dbraw/zinc/72/41/84/1201724184.db2.gz DNXOERYRNKXZIS-IYJVBRSBSA-N 1 1 381.498 0.903 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[S@@](=O)CC)CC2)CC1 ZINC000741423639 1201779749 /nfs/dbraw/zinc/77/97/49/1201779749.db2.gz GSKSCPOGCYYCJZ-SANMLTNESA-N 1 1 386.562 0.731 10 0 GCAEMO Cn1c2ncn(CC[N@@H+](C[C@H]3CCCO3)C3CCCC3)c2c(=O)n(C)c1=O ZINC000182354754 1201870760 /nfs/dbraw/zinc/87/07/60/1201870760.db2.gz CXSMWGXUZGLXBJ-OAHLLOKOSA-N 1 1 375.473 0.857 10 0 GCAEMO O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183036375 1201892090 /nfs/dbraw/zinc/89/20/90/1201892090.db2.gz OVAJAUAMIWXADV-UHFFFAOYSA-N 1 1 376.482 0.929 10 0 GCAEMO Cn1nnnc1SCCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066858614 1201920647 /nfs/dbraw/zinc/92/06/47/1201920647.db2.gz WIBBWZTYNBPDRS-UHFFFAOYSA-N 1 1 395.533 0.095 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1 ZINC000771295392 1202133317 /nfs/dbraw/zinc/13/33/17/1202133317.db2.gz YYMUJUQSYKYPNP-VLIAUNLRSA-N 1 1 388.468 0.920 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000771599001 1202150532 /nfs/dbraw/zinc/15/05/32/1202150532.db2.gz ZCJHYJMZLJEXRZ-VLIAUNLRSA-N 1 1 388.468 0.933 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000771599001 1202150534 /nfs/dbraw/zinc/15/05/34/1202150534.db2.gz ZCJHYJMZLJEXRZ-VLIAUNLRSA-N 1 1 388.468 0.933 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000788050804 1205412847 /nfs/dbraw/zinc/41/28/47/1205412847.db2.gz CLHOISMJUFHSDR-INIZCTEOSA-N 1 1 392.887 0.250 10 0 GCAEMO C[C@H](OC(=O)CN1CCOCC1=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790735539 1205470871 /nfs/dbraw/zinc/47/08/71/1205470871.db2.gz KJBVYEZUYJRDNG-DOTOQJQBSA-N 1 1 389.452 0.168 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)[nH]n1 ZINC000793810384 1205507266 /nfs/dbraw/zinc/50/72/66/1205507266.db2.gz MXQAMTYROXSVLA-GFCCVEGCSA-N 1 1 381.440 0.971 10 0 GCAEMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000793878264 1205507939 /nfs/dbraw/zinc/50/79/39/1205507939.db2.gz JUMQHRXRVFEOPT-OALUTQOASA-N 1 1 386.496 0.751 10 0 GCAEMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)C1 ZINC000804899783 1205527798 /nfs/dbraw/zinc/52/77/98/1205527798.db2.gz IQHIDUKTQQVJNN-ZIAGYGMSSA-N 1 1 378.477 0.142 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[S@](=O)CC ZINC000805608659 1205540906 /nfs/dbraw/zinc/54/09/06/1205540906.db2.gz GHRUTNBWPMVXKQ-CBZJRKILSA-N 1 1 394.541 0.779 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000747380729 1205577232 /nfs/dbraw/zinc/57/72/32/1205577232.db2.gz VYIHRUWHNXBQPV-MRXNPFEDSA-N 1 1 376.482 0.934 10 0 GCAEMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015868834 210178284 /nfs/dbraw/zinc/17/82/84/210178284.db2.gz GBNBDJZMPOCTER-UHFFFAOYSA-N 1 1 393.506 0.460 10 0 GCAEMO COCC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000363371720 530165848 /nfs/dbraw/zinc/16/58/48/530165848.db2.gz NITHSJYLRQYWFQ-CQSZACIVSA-N 1 1 389.543 0.986 10 0 GCAEMO CC(C)[C@@H](C(=O)NCCCN1CCCS1(=O)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000585733424 530304838 /nfs/dbraw/zinc/30/48/38/530304838.db2.gz LLWZHJHVWIMRCM-OAGGEKHMSA-N 1 1 375.535 0.662 10 0 GCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000177172653 530361932 /nfs/dbraw/zinc/36/19/32/530361932.db2.gz DBEWRHPSTBFXEY-NSHDSACASA-N 1 1 396.245 0.495 10 0 GCAEMO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1CCC[N@H+]1C)c2=O ZINC000170727574 530348340 /nfs/dbraw/zinc/34/83/40/530348340.db2.gz GMKGFBLKRMRPFZ-VIFPVBQESA-N 1 1 383.250 0.103 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)[C@H]2C1 ZINC000284975365 530388307 /nfs/dbraw/zinc/38/83/07/530388307.db2.gz LVOFCCXCUNUGGP-UWVGGRQHSA-N 1 1 379.891 0.594 10 0 GCAEMO CC(C)C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000026067564 530405003 /nfs/dbraw/zinc/40/50/03/530405003.db2.gz UEGJAQFKPBMUFQ-INIZCTEOSA-N 1 1 375.535 0.521 10 0 GCAEMO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000408127220 530408789 /nfs/dbraw/zinc/40/87/89/530408789.db2.gz BVGQZJIVSUMEBZ-LBPRGKRZSA-N 1 1 377.463 0.666 10 0 GCAEMO CCC(CC)[C@@H](C(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000607898154 530464915 /nfs/dbraw/zinc/46/49/15/530464915.db2.gz UMTPKUHYGLQNRE-INIZCTEOSA-N 1 1 375.535 0.665 10 0 GCAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000328835393 530518353 /nfs/dbraw/zinc/51/83/53/530518353.db2.gz XBXHJIYKQWUJJQ-AWEZNQCLSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000328835393 530518355 /nfs/dbraw/zinc/51/83/55/530518355.db2.gz XBXHJIYKQWUJJQ-AWEZNQCLSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)[C@H]2C1 ZINC000328866146 530518593 /nfs/dbraw/zinc/51/85/93/530518593.db2.gz WNSFBTGNZKDYHF-WDEREUQCSA-N 1 1 382.408 0.923 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)[C@H]2C1 ZINC000328866146 530518595 /nfs/dbraw/zinc/51/85/95/530518595.db2.gz WNSFBTGNZKDYHF-WDEREUQCSA-N 1 1 382.408 0.923 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000568512880 530560513 /nfs/dbraw/zinc/56/05/13/530560513.db2.gz OTISHKHEUKQVIS-CYBMUJFWSA-N 1 1 375.397 0.233 10 0 GCAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000186118711 530569930 /nfs/dbraw/zinc/56/99/30/530569930.db2.gz QAAZDHGKNUFWQQ-LLVKDONJSA-N 1 1 377.388 0.689 10 0 GCAEMO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000333996956 530664436 /nfs/dbraw/zinc/66/44/36/530664436.db2.gz OLUABGHUTDVCCQ-OAHLLOKOSA-N 1 1 375.539 0.335 10 0 GCAEMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000372134056 530762857 /nfs/dbraw/zinc/76/28/57/530762857.db2.gz NEDBWZZYZLWZEU-CQSZACIVSA-N 1 1 389.543 0.722 10 0 GCAEMO O=C(c1cc(I)ccc1O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405678318 530819646 /nfs/dbraw/zinc/81/96/46/530819646.db2.gz LPLSIPSGLUXMHB-WDEREUQCSA-N 1 1 388.205 0.888 10 0 GCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CNC(=O)c2ccc(Br)o2)cn1 ZINC000181440175 530853929 /nfs/dbraw/zinc/85/39/29/530853929.db2.gz LIFAQDIPNXFUMC-LLVKDONJSA-N 1 1 396.245 0.679 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000253548937 530987473 /nfs/dbraw/zinc/98/74/73/530987473.db2.gz MGINGCMDLMSMOC-MNOVXSKESA-N 1 1 385.262 0.797 10 0 GCAEMO c1nsc(N2CCN(CCC[NH+]3CCN(c4ncns4)CC3)CC2)n1 ZINC000660708338 531008601 /nfs/dbraw/zinc/00/86/01/531008601.db2.gz YBDITEBMBPKWDU-UHFFFAOYSA-N 1 1 380.547 0.724 10 0 GCAEMO O=C([C@H]1COCC[NH2+]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262607094 531031172 /nfs/dbraw/zinc/03/11/72/531031172.db2.gz HAJUCGQETJNHMK-LLVKDONJSA-N 1 1 393.918 0.613 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000262763342 531063179 /nfs/dbraw/zinc/06/31/79/531063179.db2.gz KBRDUKVKXPQQGJ-FZMZJTMJSA-N 1 1 391.515 0.733 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679469461 531156512 /nfs/dbraw/zinc/15/65/12/531156512.db2.gz DYPZGWYSVJBSOV-NSHDSACASA-N 1 1 393.307 0.384 10 0 GCAEMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCn1cc(Br)ccc1=O ZINC000106928678 531196331 /nfs/dbraw/zinc/19/63/31/531196331.db2.gz RHXJLCKTKQKFKC-ZDUSSCGKSA-N 1 1 385.306 0.753 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cn(CC)nc2C)C[N@H+]1C1CCOCC1 ZINC000097675297 211372388 /nfs/dbraw/zinc/37/23/88/211372388.db2.gz JSFKIMFYPMFBOX-YOEHRIQHSA-N 1 1 377.489 0.699 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(C)noc2C)C[N@H+]1C1CCOCC1 ZINC000097713445 211370192 /nfs/dbraw/zinc/37/01/92/211370192.db2.gz DBTZWNQROUKMTI-YOEHRIQHSA-N 1 1 378.473 0.708 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCNC(=O)c2cccc(OC)c2)C[N@@H+]1C ZINC000091586739 211196795 /nfs/dbraw/zinc/19/67/95/211196795.db2.gz WMNHFLJXPNWUOV-HOCLYGCPSA-N 1 1 376.457 0.140 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCNC(=O)c2cccc(OC)c2)C[N@H+]1C ZINC000091586739 211196797 /nfs/dbraw/zinc/19/67/97/211196797.db2.gz WMNHFLJXPNWUOV-HOCLYGCPSA-N 1 1 376.457 0.140 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000247231490 638454714 /nfs/dbraw/zinc/45/47/14/638454714.db2.gz XAQAWCPLRAFQQF-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000247231490 638454721 /nfs/dbraw/zinc/45/47/21/638454721.db2.gz XAQAWCPLRAFQQF-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261983339 638697189 /nfs/dbraw/zinc/69/71/89/638697189.db2.gz PJHPIYYIFHUDHD-INIZCTEOSA-N 1 1 383.290 0.513 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccccc2I)CC1 ZINC000911634092 639520188 /nfs/dbraw/zinc/52/01/88/639520188.db2.gz ZKMYNUIBGBWPOB-CYBMUJFWSA-N 1 1 387.221 0.982 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000805619407 641176713 /nfs/dbraw/zinc/17/67/13/641176713.db2.gz CNCYKHIPUGEHDA-RUZDIDTESA-N 1 1 389.587 0.739 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000803219601 642172361 /nfs/dbraw/zinc/17/23/61/642172361.db2.gz URJMZIVOXOYOAK-PWECECGKSA-N 1 1 385.555 0.961 10 0 GCAEMO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC[N@@H+]1CCO ZINC000187277057 1192522020 /nfs/dbraw/zinc/52/20/20/1192522020.db2.gz QQELANBIAHRYSE-FXAWDEMLSA-N 1 1 396.491 0.948 10 0 GCAEMO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC[N@H+]1CCO ZINC000187277057 1192522024 /nfs/dbraw/zinc/52/20/24/1192522024.db2.gz QQELANBIAHRYSE-FXAWDEMLSA-N 1 1 396.491 0.948 10 0 GCAEMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2ccncn2)C1 ZINC000279381291 1192532943 /nfs/dbraw/zinc/53/29/43/1192532943.db2.gz SQLLOLSGTYUXIZ-BBWFWOEESA-N 1 1 392.479 0.452 10 0 GCAEMO C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376646 1192572745 /nfs/dbraw/zinc/57/27/45/1192572745.db2.gz XKDUYAYCCDEMAO-KGLIPLIRSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376646 1192572747 /nfs/dbraw/zinc/57/27/47/1192572747.db2.gz XKDUYAYCCDEMAO-KGLIPLIRSA-N 1 1 381.498 0.536 10 0 GCAEMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332830533 1192906462 /nfs/dbraw/zinc/90/64/62/1192906462.db2.gz DMWOAFJHEGDHBF-BZUAXINKSA-N 1 1 396.513 0.417 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000246011489 1192915227 /nfs/dbraw/zinc/91/52/27/1192915227.db2.gz LBWZKJRKPGENTE-WFASDCNBSA-N 1 1 388.472 0.826 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CCOCc1ccccc1)c(=O)n2C ZINC000154568442 1184417146 /nfs/dbraw/zinc/41/71/46/1184417146.db2.gz WCHHVQMYUUBPRX-UHFFFAOYSA-N 1 1 385.468 0.972 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC1 ZINC000154621273 1184427696 /nfs/dbraw/zinc/42/76/96/1184427696.db2.gz RSYNMWFZOHFXRN-SFHVURJKSA-N 1 1 399.495 0.979 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000154654127 1184450309 /nfs/dbraw/zinc/45/03/09/1184450309.db2.gz JWLTYBZNCDJFBY-SJORKVTESA-N 1 1 388.516 0.750 10 0 GCAEMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CN3CCOCC3=O)cc2)CC1 ZINC000547736198 1184450786 /nfs/dbraw/zinc/45/07/86/1184450786.db2.gz QPESUEAEOMSXJM-UHFFFAOYSA-N 1 1 388.468 0.191 10 0 GCAEMO COc1ccc(CNC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1OC ZINC000510190696 1184604751 /nfs/dbraw/zinc/60/47/51/1184604751.db2.gz FISRJTGVFFOYAH-UHFFFAOYSA-N 1 1 399.513 0.581 10 0 GCAEMO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510268818 1184710148 /nfs/dbraw/zinc/71/01/48/1184710148.db2.gz OXLAWPUVPYEJPR-DOTOQJQBSA-N 1 1 389.562 0.959 10 0 GCAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000647052122 1184795081 /nfs/dbraw/zinc/79/50/81/1184795081.db2.gz HXWLVRZBTMGURD-YTMVRGIBSA-N 1 1 394.516 0.647 10 0 GCAEMO COC(=O)c1ccc(C[N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000026321656 1184807688 /nfs/dbraw/zinc/80/76/88/1184807688.db2.gz UASQFPMDJJIGBX-UHFFFAOYSA-N 1 1 399.451 0.742 10 0 GCAEMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000547985373 1184876119 /nfs/dbraw/zinc/87/61/19/1184876119.db2.gz TXHIRHQNHPMCAQ-AWEZNQCLSA-N 1 1 381.498 0.574 10 0 GCAEMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000547985373 1184876123 /nfs/dbraw/zinc/87/61/23/1184876123.db2.gz TXHIRHQNHPMCAQ-AWEZNQCLSA-N 1 1 381.498 0.574 10 0 GCAEMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)CCOC(C)C)CC1 ZINC000471555976 1185152437 /nfs/dbraw/zinc/15/24/37/1185152437.db2.gz OJZPDYXVAQFYCL-INIZCTEOSA-N 1 1 385.530 0.893 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc21 ZINC000683872321 1185163806 /nfs/dbraw/zinc/16/38/06/1185163806.db2.gz CNHUZIUSARUOJI-AEFFLSMTSA-N 1 1 398.463 0.535 10 0 GCAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000255225881 1185322962 /nfs/dbraw/zinc/32/29/62/1185322962.db2.gz GCPALAZWKFMYLW-OKIREYQVSA-N 1 1 392.500 0.350 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000580951838 1185442095 /nfs/dbraw/zinc/44/20/95/1185442095.db2.gz QRRPNRAXMBJLAM-KRWDZBQOSA-N 1 1 385.461 0.718 10 0 GCAEMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581447394 1185697827 /nfs/dbraw/zinc/69/78/27/1185697827.db2.gz QIIGDQSXFJNVSZ-QAPCUYQASA-N 1 1 385.468 0.442 10 0 GCAEMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581447394 1185697830 /nfs/dbraw/zinc/69/78/30/1185697830.db2.gz QIIGDQSXFJNVSZ-QAPCUYQASA-N 1 1 385.468 0.442 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000625559889 1185752789 /nfs/dbraw/zinc/75/27/89/1185752789.db2.gz HZVREIXKSBBACZ-UHFFFAOYSA-N 1 1 397.564 0.280 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000625559889 1185752795 /nfs/dbraw/zinc/75/27/95/1185752795.db2.gz HZVREIXKSBBACZ-UHFFFAOYSA-N 1 1 397.564 0.280 10 0 GCAEMO CC(=O)c1cn(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000650541823 1186017769 /nfs/dbraw/zinc/01/77/69/1186017769.db2.gz PBAIMOZBQDUHGV-RBUKOAKNSA-N 1 1 383.452 0.983 10 0 GCAEMO CC(=O)c1cn(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000650541823 1186017775 /nfs/dbraw/zinc/01/77/75/1186017775.db2.gz PBAIMOZBQDUHGV-RBUKOAKNSA-N 1 1 383.452 0.983 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000328903960 1186017820 /nfs/dbraw/zinc/01/78/20/1186017820.db2.gz IQKLURIWEDRPQM-INIZCTEOSA-N 1 1 381.498 0.922 10 0 GCAEMO CC(=O)c1cn(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000650541822 1186018303 /nfs/dbraw/zinc/01/83/03/1186018303.db2.gz PBAIMOZBQDUHGV-OALUTQOASA-N 1 1 383.452 0.983 10 0 GCAEMO CC(=O)c1cn(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000650541822 1186018309 /nfs/dbraw/zinc/01/83/09/1186018309.db2.gz PBAIMOZBQDUHGV-OALUTQOASA-N 1 1 383.452 0.983 10 0 GCAEMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@](C)(O)Cn3ccccc3=O)cc2)CC1 ZINC000548388056 1186036504 /nfs/dbraw/zinc/03/65/04/1186036504.db2.gz CRIQKIXWNHYIJF-NRFANRHFSA-N 1 1 398.463 0.626 10 0 GCAEMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000535680579 1186197259 /nfs/dbraw/zinc/19/72/59/1186197259.db2.gz KMVCIUACEXQXHZ-INIZCTEOSA-N 1 1 387.484 0.458 10 0 GCAEMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000535680579 1186197266 /nfs/dbraw/zinc/19/72/66/1186197266.db2.gz KMVCIUACEXQXHZ-INIZCTEOSA-N 1 1 387.484 0.458 10 0 GCAEMO CCS(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000535672869 1186198106 /nfs/dbraw/zinc/19/81/06/1186198106.db2.gz ZNTKCARKXPGPBY-OAHLLOKOSA-N 1 1 381.498 0.797 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000097058416 1186266145 /nfs/dbraw/zinc/26/61/45/1186266145.db2.gz DXNVQBKYAFVPAK-KRWDZBQOSA-N 1 1 388.512 0.809 10 0 GCAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)[C@H](C)C1 ZINC000115271705 1186324399 /nfs/dbraw/zinc/32/43/99/1186324399.db2.gz WKIYRGSQDMYCQP-ZBFHGGJFSA-N 1 1 390.488 0.383 10 0 GCAEMO Cc1cnc(CC[N@@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000157314511 1186357864 /nfs/dbraw/zinc/35/78/64/1186357864.db2.gz IPSCACRUHNOKQW-UHFFFAOYSA-N 1 1 396.538 0.932 10 0 GCAEMO Cc1cnc(CC[N@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000157314511 1186357867 /nfs/dbraw/zinc/35/78/67/1186357867.db2.gz IPSCACRUHNOKQW-UHFFFAOYSA-N 1 1 396.538 0.932 10 0 GCAEMO C[C@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025942809 1186360248 /nfs/dbraw/zinc/36/02/48/1186360248.db2.gz YXMXPCRVLMLEAA-XVJNWHFHSA-N 1 1 382.464 0.660 10 0 GCAEMO Cc1cnc(CC[N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC000157781923 1186387399 /nfs/dbraw/zinc/38/73/99/1186387399.db2.gz ZFPWMIYWAQHDGX-UHFFFAOYSA-N 1 1 376.486 0.763 10 0 GCAEMO C[NH+]1CCC(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)(N2CCCCC2)CC1 ZINC000152313656 1186468355 /nfs/dbraw/zinc/46/83/55/1186468355.db2.gz JKEASKNYGKXVPD-INIZCTEOSA-N 1 1 378.521 0.356 10 0 GCAEMO C[C@H]1C[C@@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000158451709 1186505410 /nfs/dbraw/zinc/50/54/10/1186505410.db2.gz NTGOMFNYQWWDJB-IRXDYDNUSA-N 1 1 388.516 0.847 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H](C)C1 ZINC000119743409 1186684629 /nfs/dbraw/zinc/68/46/29/1186684629.db2.gz DXFWPGYSZOXGOS-MLGOLLRUSA-N 1 1 389.435 0.929 10 0 GCAEMO CC(=O)N[C@](C)(C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000583085245 1186766912 /nfs/dbraw/zinc/76/69/12/1186766912.db2.gz WHXASIHBLQVRIF-MSOLQXFVSA-N 1 1 399.488 0.601 10 0 GCAEMO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458450211 1186807818 /nfs/dbraw/zinc/80/78/18/1186807818.db2.gz YYXJXFAKPAFHNP-GOSISDBHSA-N 1 1 395.548 0.077 10 0 GCAEMO C[N@H+]1CC[C@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000545156503 1186884857 /nfs/dbraw/zinc/88/48/57/1186884857.db2.gz RRQAUHJCAYHSSL-SFHVURJKSA-N 1 1 381.498 0.270 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)Nc3nnc(-c4ccco4)o3)CC2)cc[nH+]1 ZINC000536074665 1186889857 /nfs/dbraw/zinc/88/98/57/1186889857.db2.gz GBKXFQXDZQKWDV-UHFFFAOYSA-N 1 1 398.427 0.946 10 0 GCAEMO O=C(CNC(=O)c1cccnc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000163423250 1186926038 /nfs/dbraw/zinc/92/60/38/1186926038.db2.gz FNGQOZMGQGOXCH-UHFFFAOYSA-N 1 1 388.390 0.925 10 0 GCAEMO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000329512226 1186954609 /nfs/dbraw/zinc/95/46/09/1186954609.db2.gz KXUWSJKVVFDLFQ-AEFFLSMTSA-N 1 1 379.526 0.868 10 0 GCAEMO COC(=O)[C@]1(NCCCN2C(=O)CNC2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796885 1186973017 /nfs/dbraw/zinc/97/30/17/1186973017.db2.gz POXWXVJHDXHIPS-FQEVSTJZSA-N 1 1 388.468 0.726 10 0 GCAEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)[C@H]2C1 ZINC000158397791 1186973096 /nfs/dbraw/zinc/97/30/96/1186973096.db2.gz SZGYRCWPYUAVRF-ILXRZTDVSA-N 1 1 391.472 0.092 10 0 GCAEMO C[C@H](NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000584134303 1187004674 /nfs/dbraw/zinc/00/46/74/1187004674.db2.gz FSKDCILDFCXZIR-FTRWYGJKSA-N 1 1 379.501 0.774 10 0 GCAEMO CCNC(=O)N1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000472469621 1187596552 /nfs/dbraw/zinc/59/65/52/1187596552.db2.gz KFGKMALSSONHEB-GJZGRUSLSA-N 1 1 382.509 0.032 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCN=C4C3=NNN4C)cc2)CC1 ZINC000613288060 1187715290 /nfs/dbraw/zinc/71/52/90/1187715290.db2.gz LPHQIKKWKTVWKY-KRWDZBQOSA-N 1 1 397.483 0.514 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000173320817 1187722242 /nfs/dbraw/zinc/72/22/42/1187722242.db2.gz YEEAUKFMVKILPN-IPYPFGDCSA-N 1 1 378.448 0.705 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000173966293 1187744811 /nfs/dbraw/zinc/74/48/11/1187744811.db2.gz SLGVJESZXHUGMY-QWHCGFSZSA-N 1 1 394.438 0.702 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000173966293 1187744816 /nfs/dbraw/zinc/74/48/16/1187744816.db2.gz SLGVJESZXHUGMY-QWHCGFSZSA-N 1 1 394.438 0.702 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658901756 1187745079 /nfs/dbraw/zinc/74/50/79/1187745079.db2.gz MGOBRIWGLNPNGB-MRXNPFEDSA-N 1 1 388.468 0.665 10 0 GCAEMO NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000332779746 1187768251 /nfs/dbraw/zinc/76/82/51/1187768251.db2.gz RFWFWAMCALUNHL-OAGGEKHMSA-N 1 1 380.489 0.910 10 0 GCAEMO CN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H]1c1nc(C2CC2)no1 ZINC000332797488 1187777821 /nfs/dbraw/zinc/77/78/21/1187777821.db2.gz ROAQPFUZJAYUIF-LSDHHAIUSA-N 1 1 377.493 0.191 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000175724329 1187815576 /nfs/dbraw/zinc/81/55/76/1187815576.db2.gz BJZQPUYKXKGHEM-SJORKVTESA-N 1 1 390.594 0.825 10 0 GCAEMO CC[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000176160377 1187837916 /nfs/dbraw/zinc/83/79/16/1187837916.db2.gz NIMYNMJZNALSDK-IBGZPJMESA-N 1 1 388.512 0.558 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000377953017 1189386041 /nfs/dbraw/zinc/38/60/41/1189386041.db2.gz PLDYLEGQFQTKDA-SJORKVTESA-N 1 1 382.505 0.422 10 0 GCAEMO CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000660092394 1189583356 /nfs/dbraw/zinc/58/33/56/1189583356.db2.gz SUHYZUILJINKIE-KRWDZBQOSA-N 1 1 381.498 0.889 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc21 ZINC000660090169 1189584494 /nfs/dbraw/zinc/58/44/94/1189584494.db2.gz AIEFROWUANUSEM-QGZVFWFLSA-N 1 1 393.509 0.815 10 0 GCAEMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000549467099 1189634999 /nfs/dbraw/zinc/63/49/99/1189634999.db2.gz PTIILBYWIPXCQE-BBWFWOEESA-N 1 1 396.532 0.441 10 0 GCAEMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCSC[C@H]1CCO ZINC000549939617 1193957168 /nfs/dbraw/zinc/95/71/68/1193957168.db2.gz WIPQYQLVAMWEFZ-MRXNPFEDSA-N 1 1 399.557 0.464 10 0 GCAEMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](C)O)cc1 ZINC000272528557 1194469635 /nfs/dbraw/zinc/46/96/35/1194469635.db2.gz WNZUMSNYOQSJCB-RHSMWYFYSA-N 1 1 381.498 0.329 10 0 GCAEMO COC(=O)c1coc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000513800625 1194723313 /nfs/dbraw/zinc/72/33/13/1194723313.db2.gz HBUZMGWREGYHKN-UHFFFAOYSA-N 1 1 395.441 0.433 10 0 GCAEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366606515 1194867674 /nfs/dbraw/zinc/86/76/74/1194867674.db2.gz AYUATBGMYJBEFC-QGZVFWFLSA-N 1 1 396.532 0.766 10 0 GCAEMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000434791153 1194870037 /nfs/dbraw/zinc/87/00/37/1194870037.db2.gz AZYFHBWWSROOKF-QGZVFWFLSA-N 1 1 393.831 0.442 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CCCNC(=O)c3cccnc3)CC2)cc[nH+]1 ZINC000435074221 1194887266 /nfs/dbraw/zinc/88/72/66/1194887266.db2.gz VVLWOONWBDXTBW-UHFFFAOYSA-N 1 1 397.483 0.796 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@@H+]3C[C@H]1C)CC2 ZINC000514683497 1194892672 /nfs/dbraw/zinc/89/26/72/1194892672.db2.gz BYAHVVHWFKSUCA-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@H+]3C[C@H]1C)CC2 ZINC000514683497 1194892675 /nfs/dbraw/zinc/89/26/75/1194892675.db2.gz BYAHVVHWFKSUCA-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549990440 1195110220 /nfs/dbraw/zinc/11/02/20/1195110220.db2.gz ATYULVLQCGUDPC-HOTGVXAUSA-N 1 1 376.457 0.076 10 0 GCAEMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439846185 1195358537 /nfs/dbraw/zinc/35/85/37/1195358537.db2.gz PCCAYQICWZOWMF-HNNXBMFYSA-N 1 1 387.484 0.504 10 0 GCAEMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187651698 1195419463 /nfs/dbraw/zinc/41/94/63/1195419463.db2.gz TUOJQHRMKIAFRB-SJORKVTESA-N 1 1 376.501 0.745 10 0 GCAEMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187651698 1195419465 /nfs/dbraw/zinc/41/94/65/1195419465.db2.gz TUOJQHRMKIAFRB-SJORKVTESA-N 1 1 376.501 0.745 10 0 GCAEMO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000187689457 1195420398 /nfs/dbraw/zinc/42/03/98/1195420398.db2.gz ITKOGANRGPZBMP-KRWDZBQOSA-N 1 1 382.549 0.386 10 0 GCAEMO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000187689457 1195420400 /nfs/dbraw/zinc/42/04/00/1195420400.db2.gz ITKOGANRGPZBMP-KRWDZBQOSA-N 1 1 382.549 0.386 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000187668067 1195421012 /nfs/dbraw/zinc/42/10/12/1195421012.db2.gz ZNQRTNQNZIDPJQ-QGZVFWFLSA-N 1 1 376.501 0.456 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000187668067 1195421014 /nfs/dbraw/zinc/42/10/14/1195421014.db2.gz ZNQRTNQNZIDPJQ-QGZVFWFLSA-N 1 1 376.501 0.456 10 0 GCAEMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000187727317 1195421191 /nfs/dbraw/zinc/42/11/91/1195421191.db2.gz IHBSCOIWDNSGEM-UHFFFAOYSA-N 1 1 383.452 0.783 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050108 1195424764 /nfs/dbraw/zinc/42/47/64/1195424764.db2.gz TYUQHHYWVFGPKY-CVEARBPZSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050108 1195424768 /nfs/dbraw/zinc/42/47/68/1195424768.db2.gz TYUQHHYWVFGPKY-CVEARBPZSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050109 1195424944 /nfs/dbraw/zinc/42/49/44/1195424944.db2.gz TYUQHHYWVFGPKY-HOTGVXAUSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050109 1195424947 /nfs/dbraw/zinc/42/49/47/1195424947.db2.gz TYUQHHYWVFGPKY-HOTGVXAUSA-N 1 1 392.504 0.506 10 0 GCAEMO CNC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)cc1 ZINC000040156729 1195434078 /nfs/dbraw/zinc/43/40/78/1195434078.db2.gz HSFLSTHGQRINHF-UHFFFAOYSA-N 1 1 382.530 0.693 10 0 GCAEMO COC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000550095864 1195434827 /nfs/dbraw/zinc/43/48/27/1195434827.db2.gz IDFFELFCOIESID-MSOLQXFVSA-N 1 1 377.485 0.963 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504922 1195459932 /nfs/dbraw/zinc/45/99/32/1195459932.db2.gz BOIZJJBZOLPFSH-UXLLHSPISA-N 1 1 378.521 0.656 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504922 1195459933 /nfs/dbraw/zinc/45/99/33/1195459933.db2.gz BOIZJJBZOLPFSH-UXLLHSPISA-N 1 1 378.521 0.656 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000441024834 1195597976 /nfs/dbraw/zinc/59/79/76/1195597976.db2.gz FULXASFHJOGCEZ-CJNGLKHVSA-N 1 1 396.513 0.722 10 0 GCAEMO O=C(NCc1nnc2ccccn21)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000520259193 1195611133 /nfs/dbraw/zinc/61/11/33/1195611133.db2.gz YJQGXYKZFJSWOI-CQSZACIVSA-N 1 1 382.424 0.892 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550400867 1195655679 /nfs/dbraw/zinc/65/56/79/1195655679.db2.gz PHNPPGLMXSQFOU-MSOLQXFVSA-N 1 1 386.496 0.894 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000328834816 1195669699 /nfs/dbraw/zinc/66/96/99/1195669699.db2.gz SEVIPCOMCZPZGF-OXQOHEQNSA-N 1 1 391.516 0.540 10 0 GCAEMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188816041 1195738941 /nfs/dbraw/zinc/73/89/41/1195738941.db2.gz JPHAZKNGALKROD-ORAYPTAESA-N 1 1 390.459 0.879 10 0 GCAEMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188816041 1195738943 /nfs/dbraw/zinc/73/89/43/1195738943.db2.gz JPHAZKNGALKROD-ORAYPTAESA-N 1 1 390.459 0.879 10 0 GCAEMO CC[N@@H+]1CCc2nc(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)sc2C1 ZINC000054189598 1195839043 /nfs/dbraw/zinc/83/90/43/1195839043.db2.gz YJESCVUTLBIIHR-WAYWQWQTSA-N 1 1 375.454 0.570 10 0 GCAEMO CC[N@H+]1CCc2nc(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)sc2C1 ZINC000054189598 1195839046 /nfs/dbraw/zinc/83/90/46/1195839046.db2.gz YJESCVUTLBIIHR-WAYWQWQTSA-N 1 1 375.454 0.570 10 0 GCAEMO CCC[N@@H+](C)CC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000508034244 1195887323 /nfs/dbraw/zinc/88/73/23/1195887323.db2.gz DVOOYLIVWKSQSP-KRWDZBQOSA-N 1 1 390.532 0.710 10 0 GCAEMO CCC[N@@H+](C)CC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000508034245 1195887844 /nfs/dbraw/zinc/88/78/44/1195887844.db2.gz DVOOYLIVWKSQSP-QGZVFWFLSA-N 1 1 390.532 0.710 10 0 GCAEMO Cc1c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cccc1S(N)(=O)=O ZINC000427917059 1195894883 /nfs/dbraw/zinc/89/48/83/1195894883.db2.gz XSMPVLQLJBXVRP-ZDUSSCGKSA-N 1 1 381.498 0.968 10 0 GCAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000441989337 1195939435 /nfs/dbraw/zinc/93/94/35/1195939435.db2.gz SHCGAVSAYKIFAD-CABCVRRESA-N 1 1 394.497 0.618 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000443112413 1196019947 /nfs/dbraw/zinc/01/99/47/1196019947.db2.gz GEPZCUKXDKMAMT-UHFFFAOYSA-N 1 1 389.500 0.750 10 0 GCAEMO CN(CCCO)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000443266097 1196032530 /nfs/dbraw/zinc/03/25/30/1196032530.db2.gz RMDPHTHBGNTRLJ-UHFFFAOYSA-N 1 1 388.468 0.753 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000443359994 1196042467 /nfs/dbraw/zinc/04/24/67/1196042467.db2.gz KUCFNRUBSCOMRF-DZGCQCFKSA-N 1 1 396.513 0.864 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000443359996 1196042550 /nfs/dbraw/zinc/04/25/50/1196042550.db2.gz KUCFNRUBSCOMRF-HIFRSBDPSA-N 1 1 396.513 0.864 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000248164123 1196071793 /nfs/dbraw/zinc/07/17/93/1196071793.db2.gz SQIAWJXVNOFKNZ-KURKYZTESA-N 1 1 378.517 0.395 10 0 GCAEMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000051382420 1196081069 /nfs/dbraw/zinc/08/10/69/1196081069.db2.gz ZDJUPURVRDERCF-QFBILLFUSA-N 1 1 394.491 0.463 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c2=O ZINC000114642742 1196107390 /nfs/dbraw/zinc/10/73/90/1196107390.db2.gz BCNPRIPSWVQHCA-MRXNPFEDSA-N 1 1 380.452 0.911 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000329461276 1196198393 /nfs/dbraw/zinc/19/83/93/1196198393.db2.gz PSBWIASTIPQYQZ-INIZCTEOSA-N 1 1 381.498 0.985 10 0 GCAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000522771940 1196306799 /nfs/dbraw/zinc/30/67/99/1196306799.db2.gz AIPTZFYQSZOPBL-AWEZNQCLSA-N 1 1 382.486 0.524 10 0 GCAEMO CN(C)c1nc(N2CCN(Cc3nnnn3CC3CCOCC3)CC2)cc[nH+]1 ZINC000444651643 1196512062 /nfs/dbraw/zinc/51/20/62/1196512062.db2.gz QFVGWFDWCCLVFQ-UHFFFAOYSA-N 1 1 387.492 0.278 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523915958 1196566593 /nfs/dbraw/zinc/56/65/93/1196566593.db2.gz NAUCOAVHNOERMH-HZPDHXFCSA-N 1 1 381.521 0.629 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000446045309 1196608178 /nfs/dbraw/zinc/60/81/78/1196608178.db2.gz JJDXRRZIUOTCMY-HNNXBMFYSA-N 1 1 396.513 0.866 10 0 GCAEMO CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524979303 1196641322 /nfs/dbraw/zinc/64/13/22/1196641322.db2.gz FYOOBYPVRLXUBN-CQSZACIVSA-N 1 1 394.545 0.839 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)c3ccc(O)cc3)CC2)cc[nH+]1 ZINC000524977497 1196642086 /nfs/dbraw/zinc/64/20/86/1196642086.db2.gz LGQJONMWFKBETL-UHFFFAOYSA-N 1 1 384.440 0.327 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000525169734 1196653558 /nfs/dbraw/zinc/65/35/58/1196653558.db2.gz XECJMPRKQAASDO-UHFFFAOYSA-N 1 1 393.455 0.545 10 0 GCAEMO CCNC(=O)NC1(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CCCC1 ZINC000525289796 1196665069 /nfs/dbraw/zinc/66/50/69/1196665069.db2.gz ZUQLZBFXIIBPJP-UHFFFAOYSA-N 1 1 389.504 0.823 10 0 GCAEMO COc1ccc(F)c(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000447148413 1196697740 /nfs/dbraw/zinc/69/77/40/1196697740.db2.gz WTQIWWIASPYUBJ-GFCCVEGCSA-N 1 1 380.420 0.476 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC12COC2 ZINC000451140822 1196973167 /nfs/dbraw/zinc/97/31/67/1196973167.db2.gz USWXQKSQDDGETR-ZDUSSCGKSA-N 1 1 381.454 0.585 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12COC2 ZINC000451140822 1196973170 /nfs/dbraw/zinc/97/31/70/1196973170.db2.gz USWXQKSQDDGETR-ZDUSSCGKSA-N 1 1 381.454 0.585 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC12COC2 ZINC000451125063 1196973431 /nfs/dbraw/zinc/97/34/31/1196973431.db2.gz KFNBINYXJJUBEJ-CABCVRRESA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC12COC2 ZINC000451125063 1196973434 /nfs/dbraw/zinc/97/34/34/1196973434.db2.gz KFNBINYXJJUBEJ-CABCVRRESA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC12COC2 ZINC000451124175 1196973643 /nfs/dbraw/zinc/97/36/43/1196973643.db2.gz HBENCOWEBJAFGV-HUUCEWRRSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC12COC2 ZINC000451124175 1196973646 /nfs/dbraw/zinc/97/36/46/1196973646.db2.gz HBENCOWEBJAFGV-HUUCEWRRSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451132599 1196974668 /nfs/dbraw/zinc/97/46/68/1196974668.db2.gz JAWSADSAEDBUKD-GOEBONIOSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC12COC2 ZINC000451145364 1196975098 /nfs/dbraw/zinc/97/50/98/1196975098.db2.gz YWMVENXYUDWIIG-DZGCQCFKSA-N 1 1 382.457 0.298 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137072 1196975313 /nfs/dbraw/zinc/97/53/13/1196975313.db2.gz OJWLJXFANRSEMB-UWVGGRQHSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137072 1196975316 /nfs/dbraw/zinc/97/53/16/1196975316.db2.gz OJWLJXFANRSEMB-UWVGGRQHSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CC12COC2 ZINC000451144797 1196975368 /nfs/dbraw/zinc/97/53/68/1196975368.db2.gz YEXMWNONZZJEGK-WMZOPIPTSA-N 1 1 392.452 0.896 10 0 GCAEMO Cc1nnc(CN2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000530585459 1196998137 /nfs/dbraw/zinc/99/81/37/1196998137.db2.gz MUUSVZNDJHFLFT-HXUWFJFHSA-N 1 1 384.484 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000530585459 1196998138 /nfs/dbraw/zinc/99/81/38/1196998138.db2.gz MUUSVZNDJHFLFT-HXUWFJFHSA-N 1 1 384.484 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000530585459 1196998141 /nfs/dbraw/zinc/99/81/41/1196998141.db2.gz MUUSVZNDJHFLFT-HXUWFJFHSA-N 1 1 384.484 0.394 10 0 GCAEMO CNS(=O)(=O)c1ccc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc1 ZINC000530770856 1197015233 /nfs/dbraw/zinc/01/52/33/1197015233.db2.gz BLRTYLHKUOIBBU-UHFFFAOYSA-N 1 1 377.474 0.172 10 0 GCAEMO C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1 ZINC000530826292 1197020654 /nfs/dbraw/zinc/02/06/54/1197020654.db2.gz MOQKDPQOOIWUCY-GJZGRUSLSA-N 1 1 382.534 0.887 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873487 1197020813 /nfs/dbraw/zinc/02/08/13/1197020813.db2.gz OWWPIDJKVJTEPA-ZIAGYGMSSA-N 1 1 378.439 0.882 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873487 1197020815 /nfs/dbraw/zinc/02/08/15/1197020815.db2.gz OWWPIDJKVJTEPA-ZIAGYGMSSA-N 1 1 378.439 0.882 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1C ZINC000452356234 1197054069 /nfs/dbraw/zinc/05/40/69/1197054069.db2.gz ZYIZLSWSDWXMAW-QGZVFWFLSA-N 1 1 397.541 0.887 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000452389187 1197060577 /nfs/dbraw/zinc/06/05/77/1197060577.db2.gz LJZRVPCGAKTDQV-MRXNPFEDSA-N 1 1 397.497 0.131 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC12COC2 ZINC000452610526 1197070843 /nfs/dbraw/zinc/07/08/43/1197070843.db2.gz FLQLALJAOCOOKV-CYBMUJFWSA-N 1 1 387.440 0.686 10 0 GCAEMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000531804068 1197098570 /nfs/dbraw/zinc/09/85/70/1197098570.db2.gz DFUVFIACDVMEJU-MAUKXSAKSA-N 1 1 377.533 0.713 10 0 GCAEMO CCOc1ccnc(N2CCC[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000532013659 1197107846 /nfs/dbraw/zinc/10/78/46/1197107846.db2.gz NGAGVWUXECATJT-SJORKVTESA-N 1 1 380.489 0.944 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000171763311 1197158501 /nfs/dbraw/zinc/15/85/01/1197158501.db2.gz RVKXXXHAYMJHOE-SFHVURJKSA-N 1 1 381.565 0.909 10 0 GCAEMO CC[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000173203647 1197176213 /nfs/dbraw/zinc/17/62/13/1197176213.db2.gz JFVTXDVAXLHKLN-KRWDZBQOSA-N 1 1 378.517 0.790 10 0 GCAEMO CCN(CC)S(=O)(=O)CC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000173337497 1197176593 /nfs/dbraw/zinc/17/65/93/1197176593.db2.gz WJDLLKJILJHYST-UHFFFAOYSA-N 1 1 388.578 0.725 10 0 GCAEMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485852 1197177381 /nfs/dbraw/zinc/17/73/81/1197177381.db2.gz NBYVUMSLHAHNHW-JKSUJKDBSA-N 1 1 375.473 0.405 10 0 GCAEMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485852 1197177382 /nfs/dbraw/zinc/17/73/82/1197177382.db2.gz NBYVUMSLHAHNHW-JKSUJKDBSA-N 1 1 375.473 0.405 10 0 GCAEMO Cc1c(CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000179345482 1197197564 /nfs/dbraw/zinc/19/75/64/1197197564.db2.gz SPYDVAFOBPLBOU-UHFFFAOYSA-N 1 1 376.505 0.814 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000180191300 1197200594 /nfs/dbraw/zinc/20/05/94/1197200594.db2.gz OAWZJSZPSYHHPX-NVXWUHKLSA-N 1 1 377.470 0.260 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)C1 ZINC000181981943 1197206227 /nfs/dbraw/zinc/20/62/27/1197206227.db2.gz ZUBUTOIWJBYPPF-MSOLQXFVSA-N 1 1 382.549 0.873 10 0 GCAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000186122604 1197226808 /nfs/dbraw/zinc/22/68/08/1197226808.db2.gz PCNLJKIELKJWHZ-GFCCVEGCSA-N 1 1 397.888 0.573 10 0 GCAEMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000186149200 1197226830 /nfs/dbraw/zinc/22/68/30/1197226830.db2.gz DZRCMJYKIBEWCS-FUHWJXTLSA-N 1 1 388.516 0.902 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@]3(C1)OCc1ccccc13)c(=O)n2C ZINC000186643044 1197228602 /nfs/dbraw/zinc/22/86/02/1197228602.db2.gz NMSQCEOCFVOXAX-NRFANRHFSA-N 1 1 395.463 0.955 10 0 GCAEMO C[C@H]1CN(C(=O)C2CCN(Cc3nccn3C)CC2)CC[N@H+]1CC(C)(C)O ZINC000188714639 1197233090 /nfs/dbraw/zinc/23/30/90/1197233090.db2.gz JHRAQFQMXAFCGM-INIZCTEOSA-N 1 1 377.533 0.936 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCOCC(F)F)CC2)CC1 ZINC000190269618 1197240403 /nfs/dbraw/zinc/24/04/03/1197240403.db2.gz JLHDAENJXLGGLW-UHFFFAOYSA-N 1 1 376.448 0.854 10 0 GCAEMO Cn1c2ncn(CC[N@H+]3CC4(CCCC4)OC(C)(C)C3)c2c(=O)n(C)c1=O ZINC000190955781 1197242301 /nfs/dbraw/zinc/24/23/01/1197242301.db2.gz AYCPUNYJLBFQCG-UHFFFAOYSA-N 1 1 375.473 0.857 10 0 GCAEMO C[C@H](NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C ZINC000192154909 1197245447 /nfs/dbraw/zinc/24/54/47/1197245447.db2.gz FXSOTKGYZQPGOE-FABXCBLPSA-N 1 1 380.876 0.794 10 0 GCAEMO O=C(NC[C@H](CO)c1ccccc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459215669 1197350195 /nfs/dbraw/zinc/35/01/95/1197350195.db2.gz SNONSTRLNOPIRD-GOSISDBHSA-N 1 1 377.485 0.943 10 0 GCAEMO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1CO ZINC000536521812 1197352316 /nfs/dbraw/zinc/35/23/16/1197352316.db2.gz UFTUWLVJTFZQGP-SFHVURJKSA-N 1 1 391.468 0.839 10 0 GCAEMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000536540946 1197355450 /nfs/dbraw/zinc/35/54/50/1197355450.db2.gz WGMGYJDMUJDCEP-UHFFFAOYSA-N 1 1 399.499 0.870 10 0 GCAEMO CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000127906025 1197362743 /nfs/dbraw/zinc/36/27/43/1197362743.db2.gz BXNFUWBJDLDJDI-HRBLRVMOSA-N 1 1 392.548 0.743 10 0 GCAEMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1)C(=O)N(C)C ZINC000129298308 1197366003 /nfs/dbraw/zinc/36/60/03/1197366003.db2.gz NBNUAHYGYHTFBR-HNNXBMFYSA-N 1 1 386.496 0.881 10 0 GCAEMO Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136999019 1197391473 /nfs/dbraw/zinc/39/14/73/1197391473.db2.gz RHDZEJKREULYAZ-QGZVFWFLSA-N 1 1 376.505 0.527 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000055993111 1197391836 /nfs/dbraw/zinc/39/18/36/1197391836.db2.gz SJCNYCCSOCHJNH-INIZCTEOSA-N 1 1 392.525 0.608 10 0 GCAEMO CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(=O)OC ZINC000532731255 1197406373 /nfs/dbraw/zinc/40/63/73/1197406373.db2.gz AJWRCWFCDXIEDD-PBHICJAKSA-N 1 1 392.504 0.369 10 0 GCAEMO CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(=O)OC ZINC000532731257 1197406656 /nfs/dbraw/zinc/40/66/56/1197406656.db2.gz AJWRCWFCDXIEDD-WMLDXEAASA-N 1 1 392.504 0.369 10 0 GCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000533060459 1197429893 /nfs/dbraw/zinc/42/98/93/1197429893.db2.gz FRYXCWIIWDJDNB-IYWMVGAKSA-N 1 1 397.560 0.855 10 0 GCAEMO CN(C)c1nc(N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000533072244 1197430349 /nfs/dbraw/zinc/43/03/49/1197430349.db2.gz UWUQBTOEWXOZQT-UHFFFAOYSA-N 1 1 390.513 0.643 10 0 GCAEMO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000065954687 1197448320 /nfs/dbraw/zinc/44/83/20/1197448320.db2.gz RDXAMVJWLDZRKR-UHFFFAOYSA-N 1 1 386.496 0.548 10 0 GCAEMO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000065954687 1197448323 /nfs/dbraw/zinc/44/83/23/1197448323.db2.gz RDXAMVJWLDZRKR-UHFFFAOYSA-N 1 1 386.496 0.548 10 0 GCAEMO COC(=O)C1CCN(C(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000533395725 1197449687 /nfs/dbraw/zinc/44/96/87/1197449687.db2.gz WKEGCFXGQASIJM-UHFFFAOYSA-N 1 1 390.488 0.076 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)CC(C)(C)C)CC2)CC1 ZINC000066858200 1197467342 /nfs/dbraw/zinc/46/73/42/1197467342.db2.gz BPYMTLSKFZXIPE-UHFFFAOYSA-N 1 1 380.533 0.942 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)CC1 ZINC000066858830 1197467502 /nfs/dbraw/zinc/46/75/02/1197467502.db2.gz RXUMCPTWBJIYDQ-UHFFFAOYSA-N 1 1 397.483 0.679 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246857228 1197474500 /nfs/dbraw/zinc/47/45/00/1197474500.db2.gz CKUUPMDGJFATQR-RTBURBONSA-N 1 1 382.549 0.114 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000247011137 1197475179 /nfs/dbraw/zinc/47/51/79/1197475179.db2.gz QKVPYEFIIDCEFV-ZENOOKHLSA-N 1 1 377.407 0.845 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247918724 1197477497 /nfs/dbraw/zinc/47/74/97/1197477497.db2.gz BKBLHLJEPXQWGQ-JQFCIGGWSA-N 1 1 391.497 0.649 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)C1 ZINC000248642642 1197479407 /nfs/dbraw/zinc/47/94/07/1197479407.db2.gz ZUBUTOIWJBYPPF-ZWKOTPCHSA-N 1 1 382.549 0.873 10 0 GCAEMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000248841161 1197480258 /nfs/dbraw/zinc/48/02/58/1197480258.db2.gz NWLMZJSQSSCPNL-IHRRRGAJSA-N 1 1 389.456 0.097 10 0 GCAEMO C[C@H](NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C ZINC000248983249 1197480585 /nfs/dbraw/zinc/48/05/85/1197480585.db2.gz FXSOTKGYZQPGOE-KHIZAZIESA-N 1 1 380.876 0.794 10 0 GCAEMO CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249353887 1197481403 /nfs/dbraw/zinc/48/14/03/1197481403.db2.gz KUHZPXLXZKJUIG-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249353887 1197481406 /nfs/dbraw/zinc/48/14/06/1197481406.db2.gz KUHZPXLXZKJUIG-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249353887 1197481410 /nfs/dbraw/zinc/48/14/10/1197481410.db2.gz KUHZPXLXZKJUIG-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249353887 1197481413 /nfs/dbraw/zinc/48/14/13/1197481413.db2.gz KUHZPXLXZKJUIG-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO CCN1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000252744140 1197496284 /nfs/dbraw/zinc/49/62/84/1197496284.db2.gz VVUKZXYWDTUYKD-WBVHZDCISA-N 1 1 392.887 0.892 10 0 GCAEMO CCN1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000252744140 1197496285 /nfs/dbraw/zinc/49/62/85/1197496285.db2.gz VVUKZXYWDTUYKD-WBVHZDCISA-N 1 1 392.887 0.892 10 0 GCAEMO O=C(CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261651796 1197510351 /nfs/dbraw/zinc/51/03/51/1197510351.db2.gz AOOOWYKJPFDMRF-WJFTUGDTSA-N 1 1 392.544 0.737 10 0 GCAEMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261704889 1197511943 /nfs/dbraw/zinc/51/19/43/1197511943.db2.gz OWGOAAUZALDTKX-CYBMUJFWSA-N 1 1 399.469 0.268 10 0 GCAEMO O=C(NC[C@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261859723 1197516567 /nfs/dbraw/zinc/51/65/67/1197516567.db2.gz NAUYJPZOTIEKOJ-AEFFLSMTSA-N 1 1 383.500 0.785 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000261939613 1197519767 /nfs/dbraw/zinc/51/97/67/1197519767.db2.gz KJRDWKLPLIVITL-YWZLYKJASA-N 1 1 386.452 0.889 10 0 GCAEMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261962687 1197520977 /nfs/dbraw/zinc/52/09/77/1197520977.db2.gz MQNMIKPTOVEAMS-MRXNPFEDSA-N 1 1 377.470 0.883 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000262087167 1197524708 /nfs/dbraw/zinc/52/47/08/1197524708.db2.gz YDBKCSFCWOOLFC-INIZCTEOSA-N 1 1 393.509 0.760 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000262249183 1197527943 /nfs/dbraw/zinc/52/79/43/1197527943.db2.gz PVMCKXUNIDKVFL-RTBURBONSA-N 1 1 375.517 0.501 10 0 GCAEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000270282110 1199174677 /nfs/dbraw/zinc/17/46/77/1199174677.db2.gz VNIRWXSMBJCEQI-HUUCEWRRSA-N 1 1 381.498 0.872 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672307932 1199197717 /nfs/dbraw/zinc/19/77/17/1199197717.db2.gz SKMNYCBHOGLTBC-QGZVFWFLSA-N 1 1 387.484 0.135 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000672311713 1199205047 /nfs/dbraw/zinc/20/50/47/1199205047.db2.gz QFKCWTCKASUJIY-MRXNPFEDSA-N 1 1 375.448 0.470 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)C2)nn1 ZINC000672403291 1199228996 /nfs/dbraw/zinc/22/89/96/1199228996.db2.gz DMSINMXCQJQCHY-YESZJQIVSA-N 1 1 386.500 0.565 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000672418310 1199231908 /nfs/dbraw/zinc/23/19/08/1199231908.db2.gz GFTMCLOEEGEBGO-WZYMTQMTSA-N 1 1 388.516 0.964 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000672419525 1199232655 /nfs/dbraw/zinc/23/26/55/1199232655.db2.gz SLFRHAPLMHTPCE-OAGGEKHMSA-N 1 1 388.516 0.775 10 0 GCAEMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2)CC1 ZINC000672638154 1199292172 /nfs/dbraw/zinc/29/21/72/1199292172.db2.gz NEYFFJHMVDPRTQ-INIZCTEOSA-N 1 1 388.516 0.400 10 0 GCAEMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2)CC1 ZINC000672638154 1199292176 /nfs/dbraw/zinc/29/21/76/1199292176.db2.gz NEYFFJHMVDPRTQ-INIZCTEOSA-N 1 1 388.516 0.400 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[nH]n1 ZINC000672748241 1199325745 /nfs/dbraw/zinc/32/57/45/1199325745.db2.gz RQEWZAXYCJUUQV-YOEHRIQHSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n[nH]1 ZINC000672748241 1199325748 /nfs/dbraw/zinc/32/57/48/1199325748.db2.gz RQEWZAXYCJUUQV-YOEHRIQHSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n[nH]1 ZINC000672748241 1199325754 /nfs/dbraw/zinc/32/57/54/1199325754.db2.gz RQEWZAXYCJUUQV-YOEHRIQHSA-N 1 1 376.505 0.004 10 0 GCAEMO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)cn1 ZINC000672889144 1199362240 /nfs/dbraw/zinc/36/22/40/1199362240.db2.gz GZXNMDOVWDVRKW-LZLYRXPVSA-N 1 1 388.516 0.448 10 0 GCAEMO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H](C)O2 ZINC000673123683 1199430646 /nfs/dbraw/zinc/43/06/46/1199430646.db2.gz JIZJQTRYZDALQQ-YBTJLSGVSA-N 1 1 379.501 0.913 10 0 GCAEMO Cc1occc1C(=O)NCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066932154 1199468546 /nfs/dbraw/zinc/46/85/46/1199468546.db2.gz DXXVDTPMWBTTEH-UHFFFAOYSA-N 1 1 390.484 0.721 10 0 GCAEMO CCOC(=O)CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCC1 ZINC000466269314 1199593870 /nfs/dbraw/zinc/59/38/70/1199593870.db2.gz QGNOAYJKDAGFPS-QGZVFWFLSA-N 1 1 395.500 0.644 10 0 GCAEMO O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673525227 1199731350 /nfs/dbraw/zinc/73/13/50/1199731350.db2.gz WQYTUHJVLMLJRK-IRXDYDNUSA-N 1 1 376.501 0.733 10 0 GCAEMO CC(C)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCS(=O)CC1 ZINC000265866450 1199796404 /nfs/dbraw/zinc/79/64/04/1199796404.db2.gz GJTMMPGWXHAYEJ-SFHVURJKSA-N 1 1 393.553 0.847 10 0 GCAEMO CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCS(=O)CC1 ZINC000265866450 1199796409 /nfs/dbraw/zinc/79/64/09/1199796409.db2.gz GJTMMPGWXHAYEJ-SFHVURJKSA-N 1 1 393.553 0.847 10 0 GCAEMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852234 1199960602 /nfs/dbraw/zinc/96/06/02/1199960602.db2.gz XTLSPPVBEZOQJI-MAUKXSAKSA-N 1 1 393.532 0.234 10 0 GCAEMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852234 1199960603 /nfs/dbraw/zinc/96/06/03/1199960603.db2.gz XTLSPPVBEZOQJI-MAUKXSAKSA-N 1 1 393.532 0.234 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673876149 1199965241 /nfs/dbraw/zinc/96/52/41/1199965241.db2.gz NVJIKHVXADQZMC-KRWDZBQOSA-N 1 1 381.521 0.092 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000625543798 1200025056 /nfs/dbraw/zinc/02/50/56/1200025056.db2.gz PGQLSYCFSPZPIW-MRXNPFEDSA-N 1 1 397.564 0.184 10 0 GCAEMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543558714 1200129414 /nfs/dbraw/zinc/12/94/14/1200129414.db2.gz GOTFEKFFTNQYLT-NVXWUHKLSA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543558714 1200129417 /nfs/dbraw/zinc/12/94/17/1200129417.db2.gz GOTFEKFFTNQYLT-NVXWUHKLSA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)C1 ZINC000674277137 1200211344 /nfs/dbraw/zinc/21/13/44/1200211344.db2.gz TWFTWLYKXQCYHP-WCIQWLHISA-N 1 1 397.560 0.665 10 0 GCAEMO C[C@@]12CN(S(=O)(=O)C[C@@H]3CNCCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702092138 1200320629 /nfs/dbraw/zinc/32/06/29/1200320629.db2.gz BGUQXONYCFYKLQ-GBESFXJTSA-N 1 1 379.526 0.759 10 0 GCAEMO C[C@@]12CN(S(=O)(=O)C[C@@H]3CNCCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702092138 1200320634 /nfs/dbraw/zinc/32/06/34/1200320634.db2.gz BGUQXONYCFYKLQ-GBESFXJTSA-N 1 1 379.526 0.759 10 0 GCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000674942261 1200336010 /nfs/dbraw/zinc/33/60/10/1200336010.db2.gz YFSJQLHSWLHHOE-JKSUJKDBSA-N 1 1 379.505 0.191 10 0 GCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H](C)C1 ZINC000674942258 1200336331 /nfs/dbraw/zinc/33/63/31/1200336331.db2.gz YFSJQLHSWLHHOE-HOTGVXAUSA-N 1 1 379.505 0.191 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000674942260 1200336367 /nfs/dbraw/zinc/33/63/67/1200336367.db2.gz YFSJQLHSWLHHOE-HZPDHXFCSA-N 1 1 379.505 0.191 10 0 GCAEMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000544182281 1200610804 /nfs/dbraw/zinc/61/08/04/1200610804.db2.gz VVTLQJXLPYFOSH-BETUJISGSA-N 1 1 380.493 0.976 10 0 GCAEMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000544182281 1200610807 /nfs/dbraw/zinc/61/08/07/1200610807.db2.gz VVTLQJXLPYFOSH-BETUJISGSA-N 1 1 380.493 0.976 10 0 GCAEMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434929274 1200689126 /nfs/dbraw/zinc/68/91/26/1200689126.db2.gz XIDYQPKJHCRMPU-UHFFFAOYSA-N 1 1 378.473 1.360 10 0 GCAEMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000544182284 1200695076 /nfs/dbraw/zinc/69/50/76/1200695076.db2.gz VVTLQJXLPYFOSH-STQMWFEESA-N 1 1 380.493 0.976 10 0 GCAEMO CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000548026047 1200758828 /nfs/dbraw/zinc/75/88/28/1200758828.db2.gz SJLWANXNTAXCSS-UXLLHSPISA-N 1 1 397.545 1.562 10 0 GCAEMO COCCOc1cncc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000509428508 1201095990 /nfs/dbraw/zinc/09/59/90/1201095990.db2.gz DPNWLSPQKJRMPV-UHFFFAOYSA-N 1 1 386.456 0.925 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000730306260 1201442445 /nfs/dbraw/zinc/44/24/45/1201442445.db2.gz HCQRXHSDFUNNND-QGZVFWFLSA-N 1 1 391.493 0.795 10 0 GCAEMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000823783698 1201608407 /nfs/dbraw/zinc/60/84/07/1201608407.db2.gz LHUMOSUMTFYQHN-UHFFFAOYSA-N 1 1 397.523 0.875 10 0 GCAEMO Cn1ncc(C(F)(F)F)c1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788768 1201609015 /nfs/dbraw/zinc/60/90/15/1201609015.db2.gz XMGDIADEWWDHRM-UHFFFAOYSA-N 1 1 388.394 0.564 10 0 GCAEMO CN(C)c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(Cl)n1 ZINC000734465876 1201652207 /nfs/dbraw/zinc/65/22/07/1201652207.db2.gz CWMUGAGKZGNXFF-HNNXBMFYSA-N 1 1 381.908 0.937 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000827610844 1201704360 /nfs/dbraw/zinc/70/43/60/1201704360.db2.gz AFXQCEIWULWNFO-KCYZZUKISA-N 1 1 388.386 0.777 10 0 GCAEMO CNC(=O)c1cc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2C)cn1C ZINC000735921407 1201705429 /nfs/dbraw/zinc/70/54/29/1201705429.db2.gz GDDRMDJIAAJZAJ-UHFFFAOYSA-N 1 1 388.453 0.752 10 0 GCAEMO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)cn2)CC1 ZINC000827677043 1201707015 /nfs/dbraw/zinc/70/70/15/1201707015.db2.gz WVGWOULOZBACEX-SFHVURJKSA-N 1 1 393.513 0.588 10 0 GCAEMO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000828697954 1201719112 /nfs/dbraw/zinc/71/91/12/1201719112.db2.gz ZYRNCLJOQDMTMW-NGXITPROSA-N 1 1 387.480 0.406 10 0 GCAEMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1csc(I)c1 ZINC000828697711 1201719523 /nfs/dbraw/zinc/71/95/23/1201719523.db2.gz XUJQCLXEXQFMDR-LLVKDONJSA-N 1 1 382.223 0.433 10 0 GCAEMO C=CC(=O)NCCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000746161151 1201902376 /nfs/dbraw/zinc/90/23/76/1201902376.db2.gz ONUFURRACVYSJW-UHFFFAOYSA-N 1 1 387.484 0.528 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cncc(F)c3)CC2)CC1 ZINC000066903597 1201920651 /nfs/dbraw/zinc/92/06/51/1201920651.db2.gz IYPGICDUUATBCW-UHFFFAOYSA-N 1 1 384.477 0.786 10 0 GCAEMO Cc1c(C(=O)N2CCOC[C@@H]2CCO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000769049121 1202041263 /nfs/dbraw/zinc/04/12/63/1202041263.db2.gz VTOIMRXZDXNKEM-INIZCTEOSA-N 1 1 385.468 0.787 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C1CC1 ZINC000770759686 1202110346 /nfs/dbraw/zinc/11/03/46/1202110346.db2.gz QWWXJOUQNPKMNQ-OAHLLOKOSA-N 1 1 388.472 0.001 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000770741746 1202111864 /nfs/dbraw/zinc/11/18/64/1202111864.db2.gz DCQHDPXOVWEMBX-OAQYLSRUSA-N 1 1 397.479 0.989 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1 ZINC000771295396 1202133352 /nfs/dbraw/zinc/13/33/52/1202133352.db2.gz YYMUJUQSYKYPNP-XOBRGWDASA-N 1 1 388.468 0.920 10 0 GCAEMO CC[C@@H](CNC(=O)C(=O)NCC[S@](=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787631349 1205395889 /nfs/dbraw/zinc/39/58/89/1205395889.db2.gz JNZAMEFHYFHZFK-MRDQGFSESA-N 1 1 379.526 0.824 10 0 GCAEMO CC[C@@H](CNC(=O)C(=O)NCC[S@](=O)CC)[N@H+]1CCc2ccccc2C1 ZINC000787631349 1205395891 /nfs/dbraw/zinc/39/58/91/1205395891.db2.gz JNZAMEFHYFHZFK-MRDQGFSESA-N 1 1 379.526 0.824 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000788050807 1205412757 /nfs/dbraw/zinc/41/27/57/1205412757.db2.gz CLHOISMJUFHSDR-MRXNPFEDSA-N 1 1 392.887 0.250 10 0 GCAEMO CC(=O)N1CCC[C@@H](C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000791849034 1205481416 /nfs/dbraw/zinc/48/14/16/1205481416.db2.gz CYBDZVUXHLISQF-IAGOWNOFSA-N 1 1 383.489 0.261 10 0 GCAEMO COc1ccc(Cl)cc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793564116 1205500176 /nfs/dbraw/zinc/50/01/76/1205500176.db2.gz GFEMTDRLUISJBM-CABCVRRESA-N 1 1 381.860 0.944 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000793899749 1205508648 /nfs/dbraw/zinc/50/86/48/1205508648.db2.gz QNTIUHHULNKGBA-AREMUKBSSA-N 1 1 380.445 0.821 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000805611389 1205540888 /nfs/dbraw/zinc/54/08/88/1205540888.db2.gz QXEQOPUFSRKLNO-YHAMSUFESA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805611389 1205540889 /nfs/dbraw/zinc/54/08/89/1205540889.db2.gz QXEQOPUFSRKLNO-YHAMSUFESA-N 1 1 379.526 0.994 10 0 GCAEMO O=C(NCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1)OCc1ccccc1 ZINC000771760114 1205663158 /nfs/dbraw/zinc/66/31/58/1205663158.db2.gz WOKKVBQNYORGCD-UHFFFAOYSA-N 1 1 385.486 0.243 10 0 GCAEMO O=C(NCCS(=O)(=O)N1CCC[N@H+](CCO)CC1)OCc1ccccc1 ZINC000771760114 1205663159 /nfs/dbraw/zinc/66/31/59/1205663159.db2.gz WOKKVBQNYORGCD-UHFFFAOYSA-N 1 1 385.486 0.243 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246929606 530146502 /nfs/dbraw/zinc/14/65/02/530146502.db2.gz BQFZSMHCUWBHBF-CHWSQXEVSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246929606 530146505 /nfs/dbraw/zinc/14/65/05/530146505.db2.gz BQFZSMHCUWBHBF-CHWSQXEVSA-N 1 1 393.303 0.812 10 0 GCAEMO CC(C)N(CCCNC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)S(C)(=O)=O ZINC000123522167 530179326 /nfs/dbraw/zinc/17/93/26/530179326.db2.gz ZXBMBOOIFNNOEA-HOTGVXAUSA-N 1 1 376.567 0.577 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000265346802 530179928 /nfs/dbraw/zinc/17/99/28/530179928.db2.gz RHHJLBHMACTZGZ-CVEARBPZSA-N 1 1 383.539 0.927 10 0 GCAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1n[nH]c2ccc(I)cc21 ZINC000262270968 530212955 /nfs/dbraw/zinc/21/29/55/530212955.db2.gz MXQPQTWPNOCBSE-WRWORJQWSA-N 1 1 386.193 0.478 10 0 GCAEMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)[C@H]2C1 ZINC000328813282 530221296 /nfs/dbraw/zinc/22/12/96/530221296.db2.gz FVPFQSZTFYEZCB-QWHCGFSZSA-N 1 1 382.408 0.929 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)[C@H]2C1 ZINC000328813282 530221297 /nfs/dbraw/zinc/22/12/97/530221297.db2.gz FVPFQSZTFYEZCB-QWHCGFSZSA-N 1 1 382.408 0.929 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246110146 530285064 /nfs/dbraw/zinc/28/50/64/530285064.db2.gz IDONZTIHZKTWHG-BRWVUGGUSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246110146 530285066 /nfs/dbraw/zinc/28/50/66/530285066.db2.gz IDONZTIHZKTWHG-BRWVUGGUSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000174985558 530356701 /nfs/dbraw/zinc/35/67/01/530356701.db2.gz MGINGCMDLMSMOC-WDEREUQCSA-N 1 1 385.262 0.384 10 0 GCAEMO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000408048650 530361412 /nfs/dbraw/zinc/36/14/12/530361412.db2.gz ZBTPPCSMJUWEBD-UHFFFAOYSA-N 1 1 384.527 0.672 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000163573386 530334857 /nfs/dbraw/zinc/33/48/57/530334857.db2.gz UUYIZRHMKHBDAI-LBPRGKRZSA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000408114743 530405631 /nfs/dbraw/zinc/40/56/31/530405631.db2.gz IKDUTTSJBQMBEE-VIFPVBQESA-N 1 1 376.276 0.873 10 0 GCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000408114743 530405632 /nfs/dbraw/zinc/40/56/32/530405632.db2.gz IKDUTTSJBQMBEE-VIFPVBQESA-N 1 1 376.276 0.873 10 0 GCAEMO CC(C)CN(C)S(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000408134264 530408730 /nfs/dbraw/zinc/40/87/30/530408730.db2.gz RQZMCOBSNMLDTL-KRWDZBQOSA-N 1 1 376.567 0.546 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000250399578 530549943 /nfs/dbraw/zinc/54/99/43/530549943.db2.gz YZMMZQILEGKUJC-BRWVUGGUSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000250399578 530549944 /nfs/dbraw/zinc/54/99/44/530549944.db2.gz YZMMZQILEGKUJC-BRWVUGGUSA-N 1 1 376.567 0.688 10 0 GCAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000186126722 530569790 /nfs/dbraw/zinc/56/97/90/530569790.db2.gz XORWVXYHFBVHKV-JTQLQIEISA-N 1 1 377.388 0.689 10 0 GCAEMO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000266144319 530608000 /nfs/dbraw/zinc/60/80/00/530608000.db2.gz DGYIZYPZFPMPQM-QWHCGFSZSA-N 1 1 375.516 0.698 10 0 GCAEMO C[NH+](C)CC(=O)N1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114317528 530587162 /nfs/dbraw/zinc/58/71/62/530587162.db2.gz NSAVTBYEMFAMEI-UHFFFAOYSA-N 1 1 382.258 0.864 10 0 GCAEMO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014539273 210120278 /nfs/dbraw/zinc/12/02/78/210120278.db2.gz KYBHCSFFHRTBDZ-UHFFFAOYSA-N 1 1 396.469 0.561 10 0 GCAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000108718266 530689156 /nfs/dbraw/zinc/68/91/56/530689156.db2.gz YCBSGUDZGIUEHX-CQSZACIVSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000108718266 530689162 /nfs/dbraw/zinc/68/91/62/530689162.db2.gz YCBSGUDZGIUEHX-CQSZACIVSA-N 1 1 387.527 0.890 10 0 GCAEMO C[NH+]1CCN(C(=O)CN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000180420696 530728605 /nfs/dbraw/zinc/72/86/05/530728605.db2.gz LECUBPWMMVXNOU-UHFFFAOYSA-N 1 1 382.306 0.740 10 0 GCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000490251411 530827640 /nfs/dbraw/zinc/82/76/40/530827640.db2.gz OAGOXRKWTIIWLV-HZPDHXFCSA-N 1 1 375.535 0.760 10 0 GCAEMO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176539415 530850065 /nfs/dbraw/zinc/85/00/65/530850065.db2.gz MKXYRFAWJOAYHK-LBPRGKRZSA-N 1 1 384.424 0.790 10 0 GCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cn2cc(Br)ccc2=O)cn1 ZINC000181376985 530853473 /nfs/dbraw/zinc/85/34/73/530853473.db2.gz FRCHEYQMNGVGSN-ZDUSSCGKSA-N 1 1 380.246 0.517 10 0 GCAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)C1 ZINC000184506923 530854659 /nfs/dbraw/zinc/85/46/59/530854659.db2.gz APJHPJCAPCCJFY-UONOGXRCSA-N 1 1 387.468 0.994 10 0 GCAEMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261899525 530990830 /nfs/dbraw/zinc/99/08/30/530990830.db2.gz GJWNUCUFRADSDI-OCCSQVGLSA-N 1 1 380.495 0.983 10 0 GCAEMO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[N@@H+](CCO)CC3)cc2N1 ZINC000533093592 531033451 /nfs/dbraw/zinc/03/34/51/531033451.db2.gz HQIWNZBJZCKXSI-UHFFFAOYSA-N 1 1 387.889 0.913 10 0 GCAEMO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[N@H+](CCO)CC3)cc2N1 ZINC000533093592 531033452 /nfs/dbraw/zinc/03/34/52/531033452.db2.gz HQIWNZBJZCKXSI-UHFFFAOYSA-N 1 1 387.889 0.913 10 0 GCAEMO OCC[C@@H]1CSCCN1CC1(C[N@H+]2CCSC[C@@H]2CCO)COC1 ZINC000543856976 531076821 /nfs/dbraw/zinc/07/68/21/531076821.db2.gz QUQHKQURGMWYLC-IYBDPMFKSA-N 1 1 376.588 0.603 10 0 GCAEMO OCC[C@@H]1CSCC[N@H+]1CC1(CN2CCSC[C@@H]2CCO)COC1 ZINC000543856976 531076826 /nfs/dbraw/zinc/07/68/26/531076826.db2.gz QUQHKQURGMWYLC-IYBDPMFKSA-N 1 1 376.588 0.603 10 0 GCAEMO OCC[C@@H]1CSCC[N@@H+]1CC1(CN2CCSC[C@@H]2CCO)COC1 ZINC000543856976 531076830 /nfs/dbraw/zinc/07/68/30/531076830.db2.gz QUQHKQURGMWYLC-IYBDPMFKSA-N 1 1 376.588 0.603 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000545167540 531083355 /nfs/dbraw/zinc/08/33/55/531083355.db2.gz FBLDKJXKIGOKGZ-UHFFFAOYSA-N 1 1 397.273 0.855 10 0 GCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000246451494 531138858 /nfs/dbraw/zinc/13/88/58/531138858.db2.gz OQHIEWIJNXNOGV-GXFFZTMASA-N 1 1 399.289 0.931 10 0 GCAEMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1cccc(Br)c1 ZINC000184235444 531195643 /nfs/dbraw/zinc/19/56/43/531195643.db2.gz FGAMZDRTZWUPOR-CQSZACIVSA-N 1 1 387.274 0.979 10 0 GCAEMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1cccc(Br)c1 ZINC000184235444 531195644 /nfs/dbraw/zinc/19/56/44/531195644.db2.gz FGAMZDRTZWUPOR-CQSZACIVSA-N 1 1 387.274 0.979 10 0 GCAEMO Cc1nn2cc(CCNC(=O)C[C@H]3C(=O)NCC[N@@H+]3CC(C)C)nc2s1 ZINC000012316677 204395390 /nfs/dbraw/zinc/39/53/90/204395390.db2.gz RDGYFXPAONSVRZ-AWEZNQCLSA-N 1 1 378.502 0.604 10 0 GCAEMO COCCc1noc([C@@H]2CCCN(C(=O)C3CC[NH+](CC(N)=O)CC3)C2)n1 ZINC000091872696 211210658 /nfs/dbraw/zinc/21/06/58/211210658.db2.gz YEHSKJXSMPNNSU-CQSZACIVSA-N 1 1 379.461 0.162 10 0 GCAEMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000020208557 210321220 /nfs/dbraw/zinc/32/12/20/210321220.db2.gz DZEQALDLSBWXQJ-INIZCTEOSA-N 1 1 378.517 0.836 10 0 GCAEMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000020208557 210321217 /nfs/dbraw/zinc/32/12/17/210321217.db2.gz DZEQALDLSBWXQJ-INIZCTEOSA-N 1 1 378.517 0.836 10 0 GCAEMO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275294501 526892278 /nfs/dbraw/zinc/89/22/78/526892278.db2.gz MCZCMIQDAYSDGV-LLVKDONJSA-N 1 1 398.872 0.942 10 0 GCAEMO O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000015868779 570908015 /nfs/dbraw/zinc/90/80/15/570908015.db2.gz LNPATPYYJDQMDH-QGZVFWFLSA-N 1 1 381.498 0.543 10 0 GCAEMO O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000015868778 570908035 /nfs/dbraw/zinc/90/80/35/570908035.db2.gz LNPATPYYJDQMDH-KRWDZBQOSA-N 1 1 381.498 0.543 10 0 GCAEMO CN(C)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000408284041 1192368122 /nfs/dbraw/zinc/36/81/22/1192368122.db2.gz SGWQSUXCDLJFKZ-KRWDZBQOSA-N 1 1 380.514 0.680 10 0 GCAEMO C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000163423986 1192524376 /nfs/dbraw/zinc/52/43/76/1192524376.db2.gz JCPGBUIMACCWGA-OALUTQOASA-N 1 1 381.565 0.766 10 0 GCAEMO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000279372196 1192532121 /nfs/dbraw/zinc/53/21/21/1192532121.db2.gz RZKVBLANYKKOSE-ZFWWWQNUSA-N 1 1 395.504 0.893 10 0 GCAEMO COC(=O)[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000728927652 1192780803 /nfs/dbraw/zinc/78/08/03/1192780803.db2.gz FHAVWYIDGDYQEE-ZDUSSCGKSA-N 1 1 380.445 0.547 10 0 GCAEMO CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000332820001 1192904700 /nfs/dbraw/zinc/90/47/00/1192904700.db2.gz ILTMCEIHJLSMBY-BRWVUGGUSA-N 1 1 399.557 0.650 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614102995 1192905210 /nfs/dbraw/zinc/90/52/10/1192905210.db2.gz AFCXHJCKSNTDCN-IAGOWNOFSA-N 1 1 397.472 0.812 10 0 GCAEMO CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000683106214 1184120004 /nfs/dbraw/zinc/12/00/04/1184120004.db2.gz VGULTFIWEOOWFJ-NWDGAFQWSA-N 1 1 376.465 0.892 10 0 GCAEMO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654907096 1184202682 /nfs/dbraw/zinc/20/26/82/1184202682.db2.gz PGJUDZCQDQVRAH-DLBZAZTESA-N 1 1 386.452 0.202 10 0 GCAEMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@H]2CCO)C[C@H](C)O1 ZINC000579865250 1184403231 /nfs/dbraw/zinc/40/32/31/1184403231.db2.gz QGJBWDORVCJLLA-QLFBSQMISA-N 1 1 387.546 0.317 10 0 GCAEMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@H]2CCO)C[C@H](C)O1 ZINC000579865250 1184403234 /nfs/dbraw/zinc/40/32/34/1184403234.db2.gz QGJBWDORVCJLLA-QLFBSQMISA-N 1 1 387.546 0.317 10 0 GCAEMO CC(=O)N1CCN(c2cccc(NC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000547753683 1184478576 /nfs/dbraw/zinc/47/85/76/1184478576.db2.gz GQSRDMAMVPBJHK-INIZCTEOSA-N 1 1 389.500 0.885 10 0 GCAEMO CC(=O)N1CCN(c2cccc(NC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000547753683 1184478583 /nfs/dbraw/zinc/47/85/83/1184478583.db2.gz GQSRDMAMVPBJHK-INIZCTEOSA-N 1 1 389.500 0.885 10 0 GCAEMO COc1ccccc1C(=O)NCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000547776432 1184546287 /nfs/dbraw/zinc/54/62/87/1184546287.db2.gz UKHWJEZJEOLMPR-UHFFFAOYSA-N 1 1 398.467 0.630 10 0 GCAEMO CNC(=O)c1ccn([C@H]2CCC[N@@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539084 1184703116 /nfs/dbraw/zinc/70/31/16/1184703116.db2.gz CRUJJZZYIMENIG-HOCLYGCPSA-N 1 1 385.472 0.727 10 0 GCAEMO CNC(=O)c1ccn([C@H]2CCC[N@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539084 1184703123 /nfs/dbraw/zinc/70/31/23/1184703123.db2.gz CRUJJZZYIMENIG-HOCLYGCPSA-N 1 1 385.472 0.727 10 0 GCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275740301 1184994203 /nfs/dbraw/zinc/99/42/03/1184994203.db2.gz QCHSXKBCZMQTHQ-HZPDHXFCSA-N 1 1 376.505 0.923 10 0 GCAEMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269473 1185136763 /nfs/dbraw/zinc/13/67/63/1185136763.db2.gz ZJEMDCYJYAIQAB-OCCSQVGLSA-N 1 1 377.445 0.594 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000275844224 1185177209 /nfs/dbraw/zinc/17/72/09/1185177209.db2.gz APAQHPQDIJYBNR-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000275844224 1185177212 /nfs/dbraw/zinc/17/72/12/1185177212.db2.gz APAQHPQDIJYBNR-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000580951839 1185442842 /nfs/dbraw/zinc/44/28/42/1185442842.db2.gz QRRPNRAXMBJLAM-QGZVFWFLSA-N 1 1 385.461 0.718 10 0 GCAEMO CN(C(=O)[C@](C)(O)Cn1ccccc1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684141015 1185488181 /nfs/dbraw/zinc/48/81/81/1185488181.db2.gz OTGABKUUOOEJKC-FXAWDEMLSA-N 1 1 376.501 0.226 10 0 GCAEMO CN(C(=O)[C@](C)(O)Cn1ccccc1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684141015 1185488186 /nfs/dbraw/zinc/48/81/86/1185488186.db2.gz OTGABKUUOOEJKC-FXAWDEMLSA-N 1 1 376.501 0.226 10 0 GCAEMO Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2=O)n(C)n1 ZINC000276617345 1185929557 /nfs/dbraw/zinc/92/95/57/1185929557.db2.gz JPWZUELTPIIBDH-LSDHHAIUSA-N 1 1 385.472 0.982 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)n1cccn1 ZINC000328849657 1185970041 /nfs/dbraw/zinc/97/00/41/1185970041.db2.gz WHTAQZJDNWCHOC-QZTJIDSGSA-N 1 1 390.532 0.531 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000510919475 1186165391 /nfs/dbraw/zinc/16/53/91/1186165391.db2.gz IFSXHQKZNRUMMT-AWEZNQCLSA-N 1 1 392.422 0.458 10 0 GCAEMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[N@@H+](C)C3CCCCC3)cnc21 ZINC000329009358 1186199177 /nfs/dbraw/zinc/19/91/77/1186199177.db2.gz ZGLQNMMMOQFIIN-UHFFFAOYSA-N 1 1 395.485 0.577 10 0 GCAEMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000511040073 1186348367 /nfs/dbraw/zinc/34/83/67/1186348367.db2.gz LBCQSFFTKJEUCU-UHFFFAOYSA-N 1 1 389.456 0.497 10 0 GCAEMO COc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000548641073 1186365475 /nfs/dbraw/zinc/36/54/75/1186365475.db2.gz FFUOIUMHKCOXJF-CYBMUJFWSA-N 1 1 397.497 0.275 10 0 GCAEMO COc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000548641073 1186365479 /nfs/dbraw/zinc/36/54/79/1186365479.db2.gz FFUOIUMHKCOXJF-CYBMUJFWSA-N 1 1 397.497 0.275 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157611669 1186365917 /nfs/dbraw/zinc/36/59/17/1186365917.db2.gz KRNATHRNVDOWRH-PWSUYJOCSA-N 1 1 390.488 0.848 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 ZINC000107893498 1186421354 /nfs/dbraw/zinc/42/13/54/1186421354.db2.gz WJGNAEKXZATCQZ-QGZVFWFLSA-N 1 1 379.526 0.989 10 0 GCAEMO C[NH+]1CCC(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000152313566 1186467974 /nfs/dbraw/zinc/46/79/74/1186467974.db2.gz JKEASKNYGKXVPD-MRXNPFEDSA-N 1 1 378.521 0.356 10 0 GCAEMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158462520 1186506775 /nfs/dbraw/zinc/50/67/75/1186506775.db2.gz YJTZUJUGDGOBAD-STQMWFEESA-N 1 1 384.358 0.994 10 0 GCAEMO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@]2(CCCOC2)O1 ZINC000582478844 1186546115 /nfs/dbraw/zinc/54/61/15/1186546115.db2.gz VZXKUNZHZKZHNW-HAGWPMTMSA-N 1 1 379.501 0.914 10 0 GCAEMO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@]2(CCCOC2)O1 ZINC000582478846 1186546457 /nfs/dbraw/zinc/54/64/57/1186546457.db2.gz VZXKUNZHZKZHNW-MIGJQELLSA-N 1 1 379.501 0.914 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CCCCCC3=O)CC2)CC1 ZINC000066858209 1186563729 /nfs/dbraw/zinc/56/37/29/1186563729.db2.gz HEXUFZZAFAMJPQ-UHFFFAOYSA-N 1 1 378.517 0.792 10 0 GCAEMO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000548751223 1186609152 /nfs/dbraw/zinc/60/91/52/1186609152.db2.gz HSXWNBAUZCRDSB-AWEZNQCLSA-N 1 1 388.472 0.999 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccccc1 ZINC000685005495 1186623283 /nfs/dbraw/zinc/62/32/83/1186623283.db2.gz WXDYCENQAROGIZ-VXIBKDFQSA-N 1 1 375.469 0.452 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000277926777 1186708341 /nfs/dbraw/zinc/70/83/41/1186708341.db2.gz TZGFGDUWQMLSRU-KRWDZBQOSA-N 1 1 388.468 0.385 10 0 GCAEMO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458440819 1186802729 /nfs/dbraw/zinc/80/27/29/1186802729.db2.gz RPVMYRSBBSJIAJ-GOSISDBHSA-N 1 1 395.548 0.077 10 0 GCAEMO CCn1nc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)c2ccccc21 ZINC000329507758 1186953798 /nfs/dbraw/zinc/95/37/98/1186953798.db2.gz HTYWQYIHELCQKB-UHFFFAOYSA-N 1 1 397.479 0.797 10 0 GCAEMO COC(=O)[C@@]1(NCCN2CCCS2(=O)=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611797246 1186972516 /nfs/dbraw/zinc/97/25/16/1186972516.db2.gz WMIATRLUBNWPNS-LJQANCHMSA-N 1 1 395.525 0.819 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000158686734 1186987199 /nfs/dbraw/zinc/98/71/99/1186987199.db2.gz ZGLLDDWEBSVTOG-SJORKVTESA-N 1 1 379.505 0.986 10 0 GCAEMO C[C@H](NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000584134306 1187004968 /nfs/dbraw/zinc/00/49/68/1187004968.db2.gz FSKDCILDFCXZIR-YRNRMSPPSA-N 1 1 379.501 0.774 10 0 GCAEMO CC(C)NC(=O)CN(C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000584316220 1187031270 /nfs/dbraw/zinc/03/12/70/1187031270.db2.gz DBHFVGNEKVAUIZ-UHFFFAOYSA-N 1 1 387.488 0.840 10 0 GCAEMO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000297221876 1187123763 /nfs/dbraw/zinc/12/37/63/1187123763.db2.gz HORKWDVTHRMNEP-SJORKVTESA-N 1 1 395.529 0.660 10 0 GCAEMO Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000192780834 1187359848 /nfs/dbraw/zinc/35/98/48/1187359848.db2.gz MQEKHPIJOAJJLU-PKOBYXMFSA-N 1 1 388.512 0.933 10 0 GCAEMO CCNC(=O)N1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000472469622 1187596668 /nfs/dbraw/zinc/59/66/68/1187596668.db2.gz KFGKMALSSONHEB-HUUCEWRRSA-N 1 1 382.509 0.032 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)NCC)C2)CC1 ZINC000472471541 1187609896 /nfs/dbraw/zinc/60/98/96/1187609896.db2.gz SPPYXFWJXPKOGU-OAHLLOKOSA-N 1 1 382.509 0.080 10 0 GCAEMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000332818090 1187784292 /nfs/dbraw/zinc/78/42/92/1187784292.db2.gz REIRFRWPZWLWPD-OIISXLGYSA-N 1 1 397.541 0.403 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)C1 ZINC000332847003 1187793269 /nfs/dbraw/zinc/79/32/69/1187793269.db2.gz SBZQTVLGCBYBIR-ZOBUZTSGSA-N 1 1 383.514 0.623 10 0 GCAEMO Cc1cnn(CCCCC[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000170884118 1187803424 /nfs/dbraw/zinc/80/34/24/1187803424.db2.gz PMISPWSEABQNKW-UHFFFAOYSA-N 1 1 385.534 0.556 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000175675007 1187811102 /nfs/dbraw/zinc/81/11/02/1187811102.db2.gz GCPQCGJPNZNOSA-OAHLLOKOSA-N 1 1 384.475 0.948 10 0 GCAEMO CCc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407980069 1187955915 /nfs/dbraw/zinc/95/59/15/1187955915.db2.gz DPXXXTGDIBDMQH-STQMWFEESA-N 1 1 387.484 0.749 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000377953013 1189386179 /nfs/dbraw/zinc/38/61/79/1189386179.db2.gz PLDYLEGQFQTKDA-IRXDYDNUSA-N 1 1 382.505 0.422 10 0 GCAEMO CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@H]3CCCC[N@@H+]3CCO)cc2C1 ZINC000659969206 1189493385 /nfs/dbraw/zinc/49/33/85/1189493385.db2.gz DHMSDHNFWIYCPL-QGZVFWFLSA-N 1 1 381.498 0.674 10 0 GCAEMO CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2C1 ZINC000659969206 1189493388 /nfs/dbraw/zinc/49/33/88/1189493388.db2.gz DHMSDHNFWIYCPL-QGZVFWFLSA-N 1 1 381.498 0.674 10 0 GCAEMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000363883235 1189548740 /nfs/dbraw/zinc/54/87/40/1189548740.db2.gz CSKVTASLFYOUGX-LJQANCHMSA-N 1 1 391.491 0.674 10 0 GCAEMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000150742065 1189793600 /nfs/dbraw/zinc/79/36/00/1189793600.db2.gz HKSYBNBOULTFLR-KBPBESRZSA-N 1 1 386.452 0.946 10 0 GCAEMO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000759891457 1189810235 /nfs/dbraw/zinc/81/02/35/1189810235.db2.gz HNLWDIXGIFOMOD-SFQUDFHCSA-N 1 1 391.497 0.887 10 0 GCAEMO CC(=O)N[C@@H](C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000053739858 1189819385 /nfs/dbraw/zinc/81/93/85/1189819385.db2.gz QRODZKZPSDXZRF-PKOBYXMFSA-N 1 1 397.516 0.698 10 0 GCAEMO C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504438335 1194794795 /nfs/dbraw/zinc/79/47/95/1194794795.db2.gz JUESMOMLNGCBBJ-CJNGLKHVSA-N 1 1 394.497 0.531 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366626482 1194930976 /nfs/dbraw/zinc/93/09/76/1194930976.db2.gz BNKMFJDITSWXKA-SJORKVTESA-N 1 1 375.473 0.581 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366626480 1194931125 /nfs/dbraw/zinc/93/11/25/1194931125.db2.gz BNKMFJDITSWXKA-IAGOWNOFSA-N 1 1 375.473 0.581 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)COc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000505979685 1195076024 /nfs/dbraw/zinc/07/60/24/1195076024.db2.gz UIYWVOTWCFWAHR-AWEZNQCLSA-N 1 1 389.460 0.093 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000437272206 1195089534 /nfs/dbraw/zinc/08/95/34/1195089534.db2.gz IMHWNZPBINORHN-CYBMUJFWSA-N 1 1 382.486 0.333 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000438784918 1195248929 /nfs/dbraw/zinc/24/89/29/1195248929.db2.gz ULRKKNNMCCGPOT-ZNMIVQPWSA-N 1 1 392.504 1.072 10 0 GCAEMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000438784918 1195248933 /nfs/dbraw/zinc/24/89/33/1195248933.db2.gz ULRKKNNMCCGPOT-ZNMIVQPWSA-N 1 1 392.504 1.072 10 0 GCAEMO COc1c(F)cc(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000518209602 1195267497 /nfs/dbraw/zinc/26/74/97/1195267497.db2.gz WINISPDZEMKBMK-LLVKDONJSA-N 1 1 385.461 0.625 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000439760235 1195347602 /nfs/dbraw/zinc/34/76/02/1195347602.db2.gz WFDWNTAJVXFJCD-QGZVFWFLSA-N 1 1 388.468 0.835 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000441011201 1195596771 /nfs/dbraw/zinc/59/67/71/1195596771.db2.gz OLUHEJIUYPOZMP-DOMZBBRYSA-N 1 1 382.486 0.332 10 0 GCAEMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000441073260 1195601305 /nfs/dbraw/zinc/60/13/05/1195601305.db2.gz ZXQFMTNKMBMWHA-CHWSQXEVSA-N 1 1 382.486 0.474 10 0 GCAEMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000441073260 1195601307 /nfs/dbraw/zinc/60/13/07/1195601307.db2.gz ZXQFMTNKMBMWHA-CHWSQXEVSA-N 1 1 382.486 0.474 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000328769132 1195664254 /nfs/dbraw/zinc/66/42/54/1195664254.db2.gz GIVRCNPBNXESFP-KZNAEPCWSA-N 1 1 390.528 0.790 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C[C@@H](C)O1 ZINC000328900725 1195672466 /nfs/dbraw/zinc/67/24/66/1195672466.db2.gz ZWXRUFVKSBMPFL-ZAWLATJESA-N 1 1 397.541 0.813 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C[C@@H](C)O1 ZINC000328900723 1195672683 /nfs/dbraw/zinc/67/26/83/1195672683.db2.gz ZWXRUFVKSBMPFL-PSBWJHGTSA-N 1 1 397.541 0.813 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000067306331 1195780758 /nfs/dbraw/zinc/78/07/58/1195780758.db2.gz HEDRSWDKKPOCQS-NGEICVOHSA-N 1 1 391.516 0.383 10 0 GCAEMO C[NH+]1CCN(c2ccc(-c3noc(CCN4CCCS4(=O)=O)n3)cn2)CC1 ZINC000546313257 1195792223 /nfs/dbraw/zinc/79/22/23/1195792223.db2.gz XWGSPNKJJRPDHX-UHFFFAOYSA-N 1 1 392.485 0.461 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000442087367 1195950873 /nfs/dbraw/zinc/95/08/73/1195950873.db2.gz VNQOFGNMYPAMSB-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000442087367 1195950875 /nfs/dbraw/zinc/95/08/75/1195950875.db2.gz VNQOFGNMYPAMSB-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000442306446 1195975563 /nfs/dbraw/zinc/97/55/63/1195975563.db2.gz LBLLLGVFFCCPKO-DGCLKSJQSA-N 1 1 380.470 0.275 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442593619 1195996258 /nfs/dbraw/zinc/99/62/58/1195996258.db2.gz OTZILDDMLJZGLQ-UHFFFAOYSA-N 1 1 383.537 0.291 10 0 GCAEMO COc1cccc(C[C@H](O)C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000442977758 1196012907 /nfs/dbraw/zinc/01/29/07/1196012907.db2.gz WEQWSSJSILUSBO-KRWDZBQOSA-N 1 1 385.468 0.803 10 0 GCAEMO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000114379536 1196097517 /nfs/dbraw/zinc/09/75/17/1196097517.db2.gz OEXIVYTVJSOSHW-FUHWJXTLSA-N 1 1 375.517 0.836 10 0 GCAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000474297616 1196107436 /nfs/dbraw/zinc/10/74/36/1196107436.db2.gz DMXCDZSGUYZSAF-UZLBHIALSA-N 1 1 396.532 0.909 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)[C@H]2C1 ZINC000329377182 1196190570 /nfs/dbraw/zinc/19/05/70/1196190570.db2.gz LXPUKMCKQJVRIT-UHDSXZAQSA-N 1 1 377.485 0.872 10 0 GCAEMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000329407774 1196192919 /nfs/dbraw/zinc/19/29/19/1196192919.db2.gz BEJGXOGYBJIMAZ-HNAYVOBHSA-N 1 1 378.473 0.625 10 0 GCAEMO Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000508458820 1196305537 /nfs/dbraw/zinc/30/55/37/1196305537.db2.gz XKHISGYHHXQSHL-ZDUSSCGKSA-N 1 1 391.501 0.296 10 0 GCAEMO Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000508458820 1196305542 /nfs/dbraw/zinc/30/55/42/1196305542.db2.gz XKHISGYHHXQSHL-ZDUSSCGKSA-N 1 1 391.501 0.296 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000522789379 1196321089 /nfs/dbraw/zinc/32/10/89/1196321089.db2.gz OBWFUULVQBBFCH-UHFFFAOYSA-N 1 1 382.486 0.524 10 0 GCAEMO COc1cc2c(cc1OC)CN(CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CC2 ZINC000444380991 1196453160 /nfs/dbraw/zinc/45/31/60/1196453160.db2.gz ITYGSNZAORACQM-OAHLLOKOSA-N 1 1 377.485 0.587 10 0 GCAEMO Cc1sc2ncn(CCC(=O)N3CC[NH+](C[C@@H](C)O)CC3)c(=O)c2c1C ZINC000444383980 1196456127 /nfs/dbraw/zinc/45/61/27/1196456127.db2.gz UUNCJCYUNLJNMW-GFCCVEGCSA-N 1 1 378.498 0.990 10 0 GCAEMO CCOCC[NH+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000523436479 1196524860 /nfs/dbraw/zinc/52/48/60/1196524860.db2.gz RUOVGSUXICUJLV-UHFFFAOYSA-N 1 1 395.548 0.294 10 0 GCAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000524134130 1196579164 /nfs/dbraw/zinc/57/91/64/1196579164.db2.gz NDDXSTGCFRLLOI-OAHLLOKOSA-N 1 1 377.489 0.880 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000446045310 1196608222 /nfs/dbraw/zinc/60/82/22/1196608222.db2.gz JJDXRRZIUOTCMY-OAHLLOKOSA-N 1 1 396.513 0.866 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc[nH+]1 ZINC000524718877 1196619094 /nfs/dbraw/zinc/61/90/94/1196619094.db2.gz MCXILMFMLOLHLL-UHFFFAOYSA-N 1 1 387.469 0.167 10 0 GCAEMO Cc1ccc2ncc(C(=O)N3CCN(c4cc[nH+]c(N(C)C)n4)CC3)c(=O)n2c1 ZINC000524970223 1196641279 /nfs/dbraw/zinc/64/12/79/1196641279.db2.gz UEDRHJSHPFXBIN-UHFFFAOYSA-N 1 1 393.451 0.821 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)Cn3c4ccccc4[nH]c3=O)CC2)cc[nH+]1 ZINC000524979233 1196641448 /nfs/dbraw/zinc/64/14/48/1196641448.db2.gz BGTONJQXLXRJTQ-UHFFFAOYSA-N 1 1 381.440 0.947 10 0 GCAEMO Cn1cc([C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(F)(F)F)cn1 ZINC000446467449 1196643256 /nfs/dbraw/zinc/64/32/56/1196643256.db2.gz UXCKWZJSTJQWHA-YPMHNXCESA-N 1 1 390.410 0.910 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccccc3OCC(N)=O)CC2)cc[nH+]1 ZINC000525169683 1196653340 /nfs/dbraw/zinc/65/33/40/1196653340.db2.gz HQFNNQOHAYWQME-UHFFFAOYSA-N 1 1 384.440 0.369 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc[nH+]1 ZINC000525476000 1196685764 /nfs/dbraw/zinc/68/57/64/1196685764.db2.gz YYOXBYJSURSXMZ-UHFFFAOYSA-N 1 1 389.481 0.909 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC[N@H+]2CCCOCC2)cc1C ZINC000525878170 1196719640 /nfs/dbraw/zinc/71/96/40/1196719640.db2.gz GYOCJLMHWQTSAI-UHFFFAOYSA-N 1 1 383.514 0.762 10 0 GCAEMO Cn1cc(CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000114933387 1196740818 /nfs/dbraw/zinc/74/08/18/1196740818.db2.gz VYWGYDPMGOAXOD-UHFFFAOYSA-N 1 1 376.505 0.548 10 0 GCAEMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116165699 1196795785 /nfs/dbraw/zinc/79/57/85/1196795785.db2.gz WNGWRCXOEQOWJA-UYAOXDASSA-N 1 1 388.512 0.968 10 0 GCAEMO COCCOC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000450268686 1196922866 /nfs/dbraw/zinc/92/28/66/1196922866.db2.gz HWBQYCVQGQFVJU-MRXNPFEDSA-N 1 1 386.876 0.887 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCCCN2CCCCCC2=O)CC12COC2 ZINC000451138928 1196972868 /nfs/dbraw/zinc/97/28/68/1196972868.db2.gz RJCXYSBESDEVKL-MRXNPFEDSA-N 1 1 395.500 0.407 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCCCN2CCCCCC2=O)CC12COC2 ZINC000451138928 1196972870 /nfs/dbraw/zinc/97/28/70/1196972870.db2.gz RJCXYSBESDEVKL-MRXNPFEDSA-N 1 1 395.500 0.407 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129579 1196974295 /nfs/dbraw/zinc/97/42/95/1196974295.db2.gz CXWOWHBSEWHPNM-SWLSCSKDSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129579 1196974296 /nfs/dbraw/zinc/97/42/96/1196974296.db2.gz CXWOWHBSEWHPNM-SWLSCSKDSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137070 1196975195 /nfs/dbraw/zinc/97/51/95/1196975195.db2.gz OJWLJXFANRSEMB-NXEZZACHSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137070 1196975196 /nfs/dbraw/zinc/97/51/96/1196975196.db2.gz OJWLJXFANRSEMB-NXEZZACHSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC12COC2 ZINC000451146156 1196975851 /nfs/dbraw/zinc/97/58/51/1196975851.db2.gz ZORGNVSQEPMZLC-HNNXBMFYSA-N 1 1 392.452 0.832 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC12COC2 ZINC000451146156 1196975852 /nfs/dbraw/zinc/97/58/52/1196975852.db2.gz ZORGNVSQEPMZLC-HNNXBMFYSA-N 1 1 392.452 0.832 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000121883602 1196991925 /nfs/dbraw/zinc/99/19/25/1196991925.db2.gz KBPHELMNDBGWAI-KRWDZBQOSA-N 1 1 388.516 0.853 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000121883423 1196992034 /nfs/dbraw/zinc/99/20/34/1196992034.db2.gz KBPHELMNDBGWAI-QGZVFWFLSA-N 1 1 388.516 0.853 10 0 GCAEMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1 ZINC000530826291 1197020520 /nfs/dbraw/zinc/02/05/20/1197020520.db2.gz MOQKDPQOOIWUCY-GASCZTMLSA-N 1 1 382.534 0.887 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873481 1197020550 /nfs/dbraw/zinc/02/05/50/1197020550.db2.gz OWWPIDJKVJTEPA-KGLIPLIRSA-N 1 1 378.439 0.882 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873481 1197020553 /nfs/dbraw/zinc/02/05/53/1197020553.db2.gz OWWPIDJKVJTEPA-KGLIPLIRSA-N 1 1 378.439 0.882 10 0 GCAEMO COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)o1 ZINC000531063505 1197044074 /nfs/dbraw/zinc/04/40/74/1197044074.db2.gz XGTYOMYJVJZSCM-UHFFFAOYSA-N 1 1 395.441 0.433 10 0 GCAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000531416872 1197074391 /nfs/dbraw/zinc/07/43/91/1197074391.db2.gz WFYSJAMTWMLGKZ-ZACQAIPSSA-N 1 1 398.504 0.841 10 0 GCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000531804067 1197098287 /nfs/dbraw/zinc/09/82/87/1197098287.db2.gz DFUVFIACDVMEJU-CRAIPNDOSA-N 1 1 377.533 0.713 10 0 GCAEMO Cc1oc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1S(N)(=O)=O ZINC000532298537 1197136785 /nfs/dbraw/zinc/13/67/85/1197136785.db2.gz DTUNZEYNEOUCEK-UHFFFAOYSA-N 1 1 394.457 0.054 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC12COC2 ZINC000453804224 1197138079 /nfs/dbraw/zinc/13/80/79/1197138079.db2.gz PQJWWQKORCCAMD-CQSZACIVSA-N 1 1 386.408 0.619 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000172199337 1197159058 /nfs/dbraw/zinc/15/90/58/1197159058.db2.gz RYMUMJDKUYSWCO-AWEZNQCLSA-N 1 1 394.422 0.598 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cn1 ZINC000173259801 1197176048 /nfs/dbraw/zinc/17/60/48/1197176048.db2.gz MFFWNJHISKSEJG-UHFFFAOYSA-N 1 1 397.545 0.859 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000173683254 1197178223 /nfs/dbraw/zinc/17/82/23/1197178223.db2.gz ZZPAZJFKZVMDBX-HKUYNNGSSA-N 1 1 391.564 0.960 10 0 GCAEMO CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(=O)[nH]c1=O ZINC000174231756 1197179576 /nfs/dbraw/zinc/17/95/76/1197179576.db2.gz WYKAAGHJOPBIBM-CABCVRRESA-N 1 1 391.516 0.905 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cnn(C)c3)CC2)C1 ZINC000174936974 1197182683 /nfs/dbraw/zinc/18/26/83/1197182683.db2.gz JGBOYVWIAMKUEG-SFHVURJKSA-N 1 1 378.521 0.015 10 0 GCAEMO Cn1cc(N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CC2=O)cn1 ZINC000177838900 1197192670 /nfs/dbraw/zinc/19/26/70/1197192670.db2.gz SWQFLYGZEWZIEL-UHFFFAOYSA-N 1 1 396.495 0.413 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CN4CCN3CC4)cc2F)CC1 ZINC000178782023 1197195010 /nfs/dbraw/zinc/19/50/10/1197195010.db2.gz SBGIWDSTLGMRPC-KRWDZBQOSA-N 1 1 375.492 0.697 10 0 GCAEMO CCNS(=O)(=O)[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000181470057 1197204718 /nfs/dbraw/zinc/20/47/18/1197204718.db2.gz MEIMMQBKCJEWHM-SFHVURJKSA-N 1 1 394.541 0.344 10 0 GCAEMO Cn1c2ncn(CC[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)c2c(=O)n(C)c1=O ZINC000182217537 1197206742 /nfs/dbraw/zinc/20/67/42/1197206742.db2.gz AJIFONMNJJACQO-CQSZACIVSA-N 1 1 397.435 1.000 10 0 GCAEMO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182582560 1197208106 /nfs/dbraw/zinc/20/81/06/1197208106.db2.gz KBEJGPAFDRRKFL-ZZJWQFMZSA-N 1 1 394.560 0.933 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453937751 1197232847 /nfs/dbraw/zinc/23/28/47/1197232847.db2.gz OXUMURILEUREQI-OKILXGFUSA-N 1 1 376.457 0.521 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453937751 1197232848 /nfs/dbraw/zinc/23/28/48/1197232848.db2.gz OXUMURILEUREQI-OKILXGFUSA-N 1 1 376.457 0.521 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)C1 ZINC000191195251 1197242535 /nfs/dbraw/zinc/24/25/35/1197242535.db2.gz OTXLTGHJEYJNMU-ZWKOTPCHSA-N 1 1 395.573 0.983 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000364933175 1197244690 /nfs/dbraw/zinc/24/46/90/1197244690.db2.gz XOKNGJGNVUULPB-HBUWYVDXSA-N 1 1 380.489 0.543 10 0 GCAEMO Cc1occc1C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000170777574 1197255960 /nfs/dbraw/zinc/25/59/60/1197255960.db2.gz SELGWWTWSGKYTP-CYBMUJFWSA-N 1 1 390.484 0.908 10 0 GCAEMO Cc1n[nH]c(C)c1NC(=O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000114721739 1197336761 /nfs/dbraw/zinc/33/67/61/1197336761.db2.gz ZAFOVCRDCDQNJO-UHFFFAOYSA-N 1 1 376.505 0.841 10 0 GCAEMO CC(C)N1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000126043414 1197356663 /nfs/dbraw/zinc/35/66/63/1197356663.db2.gz STKJMGIVCYBZPQ-WFFDWFOESA-N 1 1 377.533 0.948 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC12COC2 ZINC000454234655 1197367859 /nfs/dbraw/zinc/36/78/59/1197367859.db2.gz YZSVCBUFPDHESZ-OWCLPIDISA-N 1 1 383.489 0.707 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000130142934 1197370563 /nfs/dbraw/zinc/37/05/63/1197370563.db2.gz HGWDLICXPNTJCU-KRWDZBQOSA-N 1 1 386.562 0.623 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000053476572 1197387239 /nfs/dbraw/zinc/38/72/39/1197387239.db2.gz NEGZQFNAKKDUDS-CQSZACIVSA-N 1 1 394.422 0.644 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000194722185 1197399799 /nfs/dbraw/zinc/39/97/99/1197399799.db2.gz ZAMIOCYLANDWCI-HNNXBMFYSA-N 1 1 384.502 0.903 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCN1c1nccn2cnnc12 ZINC000532741826 1197408251 /nfs/dbraw/zinc/40/82/51/1197408251.db2.gz SGTOYNVFTLLGJX-OAGGEKHMSA-N 1 1 376.461 0.191 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 ZINC000533071752 1197430335 /nfs/dbraw/zinc/43/03/35/1197430335.db2.gz LDNAHHJMSQZHPP-INIZCTEOSA-N 1 1 375.521 0.217 10 0 GCAEMO CC[C@@H](C)[C@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)OC ZINC000245945899 1197440470 /nfs/dbraw/zinc/44/04/70/1197440470.db2.gz KMYFYKRUTGWKPG-KEWVYSCRSA-N 1 1 394.560 0.933 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C(=O)N(C)C)CC2)CC1=O ZINC000246339378 1197464806 /nfs/dbraw/zinc/46/48/06/1197464806.db2.gz BTTTUGVYQFWHKU-DLBZAZTESA-N 1 1 378.517 0.646 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066903606 1197467257 /nfs/dbraw/zinc/46/72/57/1197467257.db2.gz PVALFSYTQDWBDQ-UHFFFAOYSA-N 1 1 384.502 0.856 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000066652369 1197467423 /nfs/dbraw/zinc/46/74/23/1197467423.db2.gz NQDISOBKCKNZOC-LSDHHAIUSA-N 1 1 384.502 0.760 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1 ZINC000066903587 1197467554 /nfs/dbraw/zinc/46/75/54/1197467554.db2.gz DHVGFAGJLTXGEA-UHFFFAOYSA-N 1 1 386.562 0.983 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246857197 1197474383 /nfs/dbraw/zinc/47/43/83/1197474383.db2.gz CKUUPMDGJFATQR-MOPGFXCFSA-N 1 1 382.549 0.114 10 0 GCAEMO Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n1 ZINC000247456038 1197476461 /nfs/dbraw/zinc/47/64/61/1197476461.db2.gz HVUAXXSKMPJOMJ-CVEARBPZSA-N 1 1 375.473 0.486 10 0 GCAEMO O=C(CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261651800 1197510385 /nfs/dbraw/zinc/51/03/85/1197510385.db2.gz AOOOWYKJPFDMRF-ZSYWTGECSA-N 1 1 392.544 0.737 10 0 GCAEMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000261677161 1197511547 /nfs/dbraw/zinc/51/15/47/1197511547.db2.gz HAUNVTYEOXOMQG-AWEZNQCLSA-N 1 1 388.472 0.490 10 0 GCAEMO O=C(NC[C@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261859726 1197516412 /nfs/dbraw/zinc/51/64/12/1197516412.db2.gz NAUYJPZOTIEKOJ-SJLPKXTDSA-N 1 1 383.500 0.785 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261889356 1197517293 /nfs/dbraw/zinc/51/72/93/1197517293.db2.gz QHZCXNQNIBVXQQ-MJGOQNOKSA-N 1 1 388.512 0.892 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)CCOC(C)C ZINC000261910259 1197518519 /nfs/dbraw/zinc/51/85/19/1197518519.db2.gz HLAWQPVEOVCSAR-INIZCTEOSA-N 1 1 399.513 0.513 10 0 GCAEMO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000262099657 1197524875 /nfs/dbraw/zinc/52/48/75/1197524875.db2.gz ZFAJNBRFCXKUDM-MRXNPFEDSA-N 1 1 388.449 0.127 10 0 GCAEMO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262544137 1197534067 /nfs/dbraw/zinc/53/40/67/1197534067.db2.gz SGOAFMJWYAMSMN-AWEZNQCLSA-N 1 1 399.900 0.537 10 0 GCAEMO O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262559578 1197534983 /nfs/dbraw/zinc/53/49/83/1197534983.db2.gz XWGPITZROSMPFU-JKSUJKDBSA-N 1 1 394.541 0.501 10 0 GCAEMO O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262559576 1197535196 /nfs/dbraw/zinc/53/51/96/1197535196.db2.gz XWGPITZROSMPFU-HOTGVXAUSA-N 1 1 394.541 0.501 10 0 GCAEMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263069057 1197540910 /nfs/dbraw/zinc/54/09/10/1197540910.db2.gz WGIZLWYVJQJQCL-INIZCTEOSA-N 1 1 396.438 0.961 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCSC[C@H]1CCO ZINC000536648615 1197579705 /nfs/dbraw/zinc/57/97/05/1197579705.db2.gz IISUVWUKXSMZBG-HZPDHXFCSA-N 1 1 385.530 0.026 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCSC[C@@H]1CCO ZINC000536648616 1197579732 /nfs/dbraw/zinc/57/97/32/1197579732.db2.gz IISUVWUKXSMZBG-JKSUJKDBSA-N 1 1 385.530 0.026 10 0 GCAEMO C[C@@H](C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)n1nnnc1C(C)(C)C ZINC000542708310 1199010187 /nfs/dbraw/zinc/01/01/87/1199010187.db2.gz XVSXSUFSOSDCBV-ZDUSSCGKSA-N 1 1 387.492 0.736 10 0 GCAEMO Cc1[nH+]ccn1CCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000542813006 1199062774 /nfs/dbraw/zinc/06/27/74/1199062774.db2.gz GOCQFLIPQVMBJB-UHFFFAOYSA-N 1 1 389.481 0.978 10 0 GCAEMO CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000672083295 1199076217 /nfs/dbraw/zinc/07/62/17/1199076217.db2.gz GAXNRGZCFZKULN-HNSVSWJLSA-N 1 1 388.516 0.964 10 0 GCAEMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000542884153 1199136153 /nfs/dbraw/zinc/13/61/53/1199136153.db2.gz UAHFHKJTKRSINL-KZNAEPCWSA-N 1 1 390.546 0.869 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000672419398 1199232129 /nfs/dbraw/zinc/23/21/29/1199232129.db2.gz WVYXTSLPVADHCQ-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO CC[N@@H+](CCNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C(C)C ZINC000672553281 1199267493 /nfs/dbraw/zinc/26/74/93/1199267493.db2.gz CYBHCANFZYCDBL-UHFFFAOYSA-N 1 1 377.489 0.381 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000672642012 1199300620 /nfs/dbraw/zinc/30/06/20/1199300620.db2.gz VYBFEUSGDQYIHQ-HNNXBMFYSA-N 1 1 398.511 0.772 10 0 GCAEMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000672712569 1199322199 /nfs/dbraw/zinc/32/21/99/1199322199.db2.gz JJMQVCIPTQPDJC-INIZCTEOSA-N 1 1 387.484 0.481 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888763 1199360104 /nfs/dbraw/zinc/36/01/04/1199360104.db2.gz KITGIBSXQGYWGW-ZACQAIPSSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888763 1199360107 /nfs/dbraw/zinc/36/01/07/1199360107.db2.gz KITGIBSXQGYWGW-ZACQAIPSSA-N 1 1 388.516 0.590 10 0 GCAEMO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)cn1 ZINC000672889145 1199361979 /nfs/dbraw/zinc/36/19/79/1199361979.db2.gz GZXNMDOVWDVRKW-SOLBZPMBSA-N 1 1 388.516 0.448 10 0 GCAEMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922127159 1199381105 /nfs/dbraw/zinc/38/11/05/1199381105.db2.gz NJRZFVPYFJGYAZ-IBGZPJMESA-N 1 1 377.485 0.579 10 0 GCAEMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922127160 1199381686 /nfs/dbraw/zinc/38/16/86/1199381686.db2.gz NJRZFVPYFJGYAZ-LJQANCHMSA-N 1 1 377.485 0.579 10 0 GCAEMO CN(C)C(=O)[C@@H]1CSCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066648167 1199428978 /nfs/dbraw/zinc/42/89/78/1199428978.db2.gz KUVQZEYIPXILLK-KRWDZBQOSA-N 1 1 376.526 0.794 10 0 GCAEMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)Cc1nnnn1C ZINC000466461858 1199714808 /nfs/dbraw/zinc/71/48/08/1199714808.db2.gz FDAYIDYIWCRENW-HNNXBMFYSA-N 1 1 387.488 0.179 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000118097473 1199742647 /nfs/dbraw/zinc/74/26/47/1199742647.db2.gz RDLNUOGXEZNHDC-QGZVFWFLSA-N 1 1 383.452 0.831 10 0 GCAEMO CC(C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCS(=O)CC1 ZINC000265866446 1199796532 /nfs/dbraw/zinc/79/65/32/1199796532.db2.gz GJTMMPGWXHAYEJ-GOSISDBHSA-N 1 1 393.553 0.847 10 0 GCAEMO CC(C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCS(=O)CC1 ZINC000265866446 1199796533 /nfs/dbraw/zinc/79/65/33/1199796533.db2.gz GJTMMPGWXHAYEJ-GOSISDBHSA-N 1 1 393.553 0.847 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673847691 1199959476 /nfs/dbraw/zinc/95/94/76/1199959476.db2.gz INSDIQCZGJOOTL-NQIIRXRSSA-N 1 1 387.480 0.520 10 0 GCAEMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852236 1199960386 /nfs/dbraw/zinc/96/03/86/1199960386.db2.gz XTLSPPVBEZOQJI-YJBOKZPZSA-N 1 1 393.532 0.234 10 0 GCAEMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852236 1199960388 /nfs/dbraw/zinc/96/03/88/1199960388.db2.gz XTLSPPVBEZOQJI-YJBOKZPZSA-N 1 1 393.532 0.234 10 0 GCAEMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(C2CC2)C(=O)C1 ZINC000673970508 1200035038 /nfs/dbraw/zinc/03/50/38/1200035038.db2.gz HJDOCTPSSRXSNZ-UHFFFAOYSA-N 1 1 387.488 0.005 10 0 GCAEMO c1cnc(N2CCN(CCCCC[NH+]3CCN(c4nccnn4)CC3)CC2)nn1 ZINC000625641718 1200110468 /nfs/dbraw/zinc/11/04/68/1200110468.db2.gz GMGSJGCIUMUAOP-UHFFFAOYSA-N 1 1 398.519 0.171 10 0 GCAEMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543558711 1200128440 /nfs/dbraw/zinc/12/84/40/1200128440.db2.gz GOTFEKFFTNQYLT-DOTOQJQBSA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543558711 1200128446 /nfs/dbraw/zinc/12/84/46/1200128446.db2.gz GOTFEKFFTNQYLT-DOTOQJQBSA-N 1 1 375.469 0.521 10 0 GCAEMO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 ZINC000703994165 1200430171 /nfs/dbraw/zinc/43/01/71/1200430171.db2.gz KJTPJFGZJSGLRE-ZDUSSCGKSA-N 1 1 379.482 0.932 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675655830 1200449958 /nfs/dbraw/zinc/44/99/58/1200449958.db2.gz CGUMTGOFZPPQTK-KSZLIROESA-N 1 1 394.516 0.709 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675655831 1200450178 /nfs/dbraw/zinc/45/01/78/1200450178.db2.gz CGUMTGOFZPPQTK-KURKYZTESA-N 1 1 394.516 0.709 10 0 GCAEMO C[C@@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676249541 1200523085 /nfs/dbraw/zinc/52/30/85/1200523085.db2.gz GUXGFKNNWOUNSD-DGCLKSJQSA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676249541 1200523092 /nfs/dbraw/zinc/52/30/92/1200523092.db2.gz GUXGFKNNWOUNSD-DGCLKSJQSA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676332368 1200547209 /nfs/dbraw/zinc/54/72/09/1200547209.db2.gz LVDYVMKTZZLRJT-MAUKXSAKSA-N 1 1 395.525 0.923 10 0 GCAEMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676332368 1200547217 /nfs/dbraw/zinc/54/72/17/1200547217.db2.gz LVDYVMKTZZLRJT-MAUKXSAKSA-N 1 1 395.525 0.923 10 0 GCAEMO CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000676733461 1200588518 /nfs/dbraw/zinc/58/85/18/1200588518.db2.gz NIVXEBBONDMBCH-CQSZACIVSA-N 1 1 399.488 0.964 10 0 GCAEMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H]1Cc1ccccc1 ZINC000551481435 1200681382 /nfs/dbraw/zinc/68/13/82/1200681382.db2.gz WSXJLVRKWGHLTO-INIZCTEOSA-N 1 1 384.484 1.357 10 0 GCAEMO C[N@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H]1Cc1ccccc1 ZINC000551481435 1200681387 /nfs/dbraw/zinc/68/13/87/1200681387.db2.gz WSXJLVRKWGHLTO-INIZCTEOSA-N 1 1 384.484 1.357 10 0 GCAEMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC000541417511 1200859295 /nfs/dbraw/zinc/85/92/95/1200859295.db2.gz GKXVZQIRAQDXOX-CQSZACIVSA-N 1 1 380.493 0.931 10 0 GCAEMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC[N@H+]1CCOC ZINC000541417511 1200859303 /nfs/dbraw/zinc/85/93/03/1200859303.db2.gz GKXVZQIRAQDXOX-CQSZACIVSA-N 1 1 380.493 0.931 10 0 GCAEMO O=C(CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1)N1CCCCCC1 ZINC000105167421 1201252528 /nfs/dbraw/zinc/25/25/28/1201252528.db2.gz WYUYEPXPMSGMQX-MOPGFXCFSA-N 1 1 383.533 0.563 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1 ZINC000730937509 1201468758 /nfs/dbraw/zinc/46/87/58/1201468758.db2.gz USXIGCBMNKVBBS-ZDUSSCGKSA-N 1 1 395.481 0.549 10 0 GCAEMO CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000823676260 1201606175 /nfs/dbraw/zinc/60/61/75/1201606175.db2.gz PHTCHEKWMOKNOG-UHFFFAOYSA-N 1 1 399.536 0.018 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N1Cc2ccccc2C1=O ZINC000823771439 1201608126 /nfs/dbraw/zinc/60/81/26/1201608126.db2.gz JMBSKFCMACHNBE-QAPCUYQASA-N 1 1 384.480 0.796 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000827610843 1201704425 /nfs/dbraw/zinc/70/44/25/1201704425.db2.gz AFXQCEIWULWNFO-ANQUJSFKSA-N 1 1 388.386 0.777 10 0 GCAEMO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000827720755 1201707329 /nfs/dbraw/zinc/70/73/29/1201707329.db2.gz HIAQCZIRXSRSHM-IKGGRYGDSA-N 1 1 385.530 0.656 10 0 GCAEMO Cc1c(C(=O)N2CCOC[C@H]2CCO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000769049122 1202041438 /nfs/dbraw/zinc/04/14/38/1202041438.db2.gz VTOIMRXZDXNKEM-MRXNPFEDSA-N 1 1 385.468 0.787 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)CN1CC[NH+](C)CC1 ZINC000790192279 1205458603 /nfs/dbraw/zinc/45/86/03/1205458603.db2.gz VUFKNCLUAHLQJQ-KBXCAEBGSA-N 1 1 392.931 0.923 10 0 GCAEMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)CN3CCOCC3=O)CC2)c1 ZINC000790736156 1205470941 /nfs/dbraw/zinc/47/09/41/1205470941.db2.gz OBCRXXXRZGVXRK-UHFFFAOYSA-N 1 1 389.452 0.041 10 0 GCAEMO CC(C)c1nnc2n1CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@@H]2C ZINC000805568810 1205540209 /nfs/dbraw/zinc/54/02/09/1205540209.db2.gz BTSGSFROFUAEGO-GFCCVEGCSA-N 1 1 388.476 0.421 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805617770 1205541278 /nfs/dbraw/zinc/54/12/78/1205541278.db2.gz JYRVSDGBVBHPSX-YXNBBTCFSA-N 1 1 379.526 0.898 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000805621248 1205541589 /nfs/dbraw/zinc/54/15/89/1205541589.db2.gz KGBAVLAOVRYUGC-KRXBEKAOSA-N 1 1 377.510 0.462 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000747380253 1205577064 /nfs/dbraw/zinc/57/70/64/1205577064.db2.gz RIPMCTFNUSMFIN-CVEARBPZSA-N 1 1 376.482 0.996 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000747380253 1205577066 /nfs/dbraw/zinc/57/70/66/1205577066.db2.gz RIPMCTFNUSMFIN-CVEARBPZSA-N 1 1 376.482 0.996 10 0 GCAEMO S=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CCOCC2)n1 ZINC000774258403 1205868004 /nfs/dbraw/zinc/86/80/04/1205868004.db2.gz PNMUBVWSBMRHHH-UHFFFAOYSA-N 1 1 379.530 0.605 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000774812964 1205916299 /nfs/dbraw/zinc/91/62/99/1205916299.db2.gz XWJUTPXQQXHJEC-SOKVYYICSA-N 1 1 395.525 0.833 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000775085000 1205955195 /nfs/dbraw/zinc/95/51/95/1205955195.db2.gz SLQXXCLUEKYWKZ-CRYYWNKWSA-N 1 1 395.525 0.833 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000124203870 530127714 /nfs/dbraw/zinc/12/77/14/530127714.db2.gz DLSIRFRKCDBHGX-NSHDSACASA-N 1 1 385.262 0.687 10 0 GCAEMO O=S(=O)(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264761091 530166911 /nfs/dbraw/zinc/16/69/11/530166911.db2.gz OTQXCLMALPWECG-OAHLLOKOSA-N 1 1 385.511 0.695 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1=O ZINC000175883566 530358886 /nfs/dbraw/zinc/35/88/86/530358886.db2.gz LWKAHVDDZZCHBO-NSHDSACASA-N 1 1 383.246 0.393 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@H]2C1 ZINC000408026895 530348467 /nfs/dbraw/zinc/34/84/67/530348467.db2.gz HMDNDKUBDPQJAH-HOTGVXAUSA-N 1 1 388.511 0.325 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@H]2C1 ZINC000408026895 530348468 /nfs/dbraw/zinc/34/84/68/530348468.db2.gz HMDNDKUBDPQJAH-HOTGVXAUSA-N 1 1 388.511 0.325 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000190085630 530385924 /nfs/dbraw/zinc/38/59/24/530385924.db2.gz FZDFHGLCNXJIAN-CMPLNLGQSA-N 1 1 397.273 0.781 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@@H]2C1 ZINC000285276493 530392055 /nfs/dbraw/zinc/39/20/55/530392055.db2.gz ZQYQKPAYHLJUCJ-CHWSQXEVSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@@H]2C1 ZINC000285276493 530392057 /nfs/dbraw/zinc/39/20/57/530392057.db2.gz ZQYQKPAYHLJUCJ-CHWSQXEVSA-N 1 1 376.276 0.938 10 0 GCAEMO CNS(=O)(=O)c1csc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000408346478 530506440 /nfs/dbraw/zinc/50/64/40/530506440.db2.gz SBEQXVZQJSLQQS-GFCCVEGCSA-N 1 1 387.527 0.982 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1CCO ZINC000187252860 530510253 /nfs/dbraw/zinc/51/02/53/530510253.db2.gz SXQXEVHKIJMRFA-LBPRGKRZSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@H+]1CCO ZINC000187252860 530510254 /nfs/dbraw/zinc/51/02/54/530510254.db2.gz SXQXEVHKIJMRFA-LBPRGKRZSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@H]1C[C@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[N@H+]1C ZINC000332882288 530524871 /nfs/dbraw/zinc/52/48/71/530524871.db2.gz HWBPDUZMNJKCQK-GXTWGEPZSA-N 1 1 387.527 0.982 10 0 GCAEMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000329082906 530606111 /nfs/dbraw/zinc/60/61/11/530606111.db2.gz DXXXETHYTDBUNN-QEOTZNIISA-N 1 1 375.535 0.914 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000329082906 530606113 /nfs/dbraw/zinc/60/61/13/530606113.db2.gz DXXXETHYTDBUNN-QEOTZNIISA-N 1 1 375.535 0.914 10 0 GCAEMO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000493895829 530840595 /nfs/dbraw/zinc/84/05/95/530840595.db2.gz AMWUCGPPWVEKLZ-UHFFFAOYSA-N 1 1 387.527 0.915 10 0 GCAEMO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000493895829 530840599 /nfs/dbraw/zinc/84/05/99/530840599.db2.gz AMWUCGPPWVEKLZ-UHFFFAOYSA-N 1 1 387.527 0.915 10 0 GCAEMO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000510187319 530924191 /nfs/dbraw/zinc/92/41/91/530924191.db2.gz WXCCCKXSHANDEH-UHFFFAOYSA-N 1 1 389.543 0.698 10 0 GCAEMO CO[C@H]1C[C@H](C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000332910323 530935843 /nfs/dbraw/zinc/93/58/43/530935843.db2.gz JQJQQWZKGHXXRT-XFIYOXNOSA-N 1 1 375.535 0.518 10 0 GCAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000524045427 530984467 /nfs/dbraw/zinc/98/44/67/530984467.db2.gz OXWCUQWAWQISOM-NSHDSACASA-N 1 1 375.466 0.871 10 0 GCAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC[C@H]21 ZINC000253554280 530987276 /nfs/dbraw/zinc/98/72/76/530987276.db2.gz QYPBWIJGAPBMGD-CMPLNLGQSA-N 1 1 385.262 0.654 10 0 GCAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000124204123 531028506 /nfs/dbraw/zinc/02/85/06/531028506.db2.gz DLSIRFRKCDBHGX-LLVKDONJSA-N 1 1 385.262 0.687 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262736661 531057958 /nfs/dbraw/zinc/05/79/58/531057958.db2.gz AKMPVLBTTXCGSF-DGCLKSJQSA-N 1 1 391.515 0.733 10 0 GCAEMO O=c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)nc2ccc(Br)cn12 ZINC000543559991 531073895 /nfs/dbraw/zinc/07/38/95/531073895.db2.gz VFAUBJHCOKELOG-CQSZACIVSA-N 1 1 379.258 0.973 10 0 GCAEMO O=c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)nc2ccc(Br)cn12 ZINC000543559991 531073900 /nfs/dbraw/zinc/07/39/00/531073900.db2.gz VFAUBJHCOKELOG-CQSZACIVSA-N 1 1 379.258 0.973 10 0 GCAEMO CN(CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1 ZINC000675144548 531129958 /nfs/dbraw/zinc/12/99/58/531129958.db2.gz PRFXICPPXXOUMK-AWEZNQCLSA-N 1 1 388.921 0.749 10 0 GCAEMO CC[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000552880628 531147032 /nfs/dbraw/zinc/14/70/32/531147032.db2.gz ODIXBGLSFLDWPO-HOTGVXAUSA-N 1 1 375.535 0.664 10 0 GCAEMO CC[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000552880628 531147035 /nfs/dbraw/zinc/14/70/35/531147035.db2.gz ODIXBGLSFLDWPO-HOTGVXAUSA-N 1 1 375.535 0.664 10 0 GCAEMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[N@@H+]21)NC1CC1 ZINC000015708310 291102524 /nfs/dbraw/zinc/10/25/24/291102524.db2.gz YMBVTMLUUBGDNV-BBWFWOEESA-N 1 1 388.443 0.556 10 0 GCAEMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[N@H+]21)NC1CC1 ZINC000015708310 291102525 /nfs/dbraw/zinc/10/25/25/291102525.db2.gz YMBVTMLUUBGDNV-BBWFWOEESA-N 1 1 388.443 0.556 10 0 GCAEMO COCCCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1 ZINC000065226864 136160446 /nfs/dbraw/zinc/16/04/46/136160446.db2.gz QNEIHXFAWFXRIY-UHFFFAOYSA-N 1 1 376.505 0.598 10 0 GCAEMO CN1CCN(C(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)CC1 ZINC000065226836 136160474 /nfs/dbraw/zinc/16/04/74/136160474.db2.gz JDPVBBAGUJOFMB-UHFFFAOYSA-N 1 1 387.532 0.219 10 0 GCAEMO CC(C)CNC(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000034677016 570293647 /nfs/dbraw/zinc/29/36/47/570293647.db2.gz QVAYCISWNMMHCA-INIZCTEOSA-N 1 1 382.505 0.964 10 0 GCAEMO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc(CO)o1)CC2 ZINC000014741213 570858017 /nfs/dbraw/zinc/85/80/17/570858017.db2.gz RHRHUYFBKAFLMJ-UHFFFAOYSA-N 1 1 378.473 0.952 10 0 GCAEMO C[N@H+]1CCC[C@H]1CNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000171977473 639635075 /nfs/dbraw/zinc/63/50/75/639635075.db2.gz NGAFNPJHVVLEIM-LBPRGKRZSA-N 1 1 386.440 0.941 10 0 GCAEMO COc1nc(N2CC[NH+](CCC(=O)N(C)OC)CC2)ncc1Br ZINC000799125259 641601290 /nfs/dbraw/zinc/60/12/90/641601290.db2.gz AQZBPEQWJADBGR-UHFFFAOYSA-N 1 1 388.266 0.780 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000803219598 642172303 /nfs/dbraw/zinc/17/23/03/642172303.db2.gz URJMZIVOXOYOAK-DLUDVSRJSA-N 1 1 385.555 0.961 10 0 GCAEMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1I ZINC000394704747 677371739 /nfs/dbraw/zinc/37/17/39/677371739.db2.gz LEVQYJBIYYGZPA-SNVBAGLBSA-N 1 1 389.241 0.144 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)[C@@H](C)C1 ZINC000247437826 1192412553 /nfs/dbraw/zinc/41/25/53/1192412553.db2.gz PFEJASNIVXMGKK-DZGCQCFKSA-N 1 1 385.534 0.586 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)[C@@H](C)C1 ZINC000247437836 1192412701 /nfs/dbraw/zinc/41/27/01/1192412701.db2.gz PFEJASNIVXMGKK-ZFWWWQNUSA-N 1 1 385.534 0.586 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@H]2CCCCO2)cn1 ZINC000549659418 1192560526 /nfs/dbraw/zinc/56/05/26/1192560526.db2.gz HIXXRFMNNPDMTJ-IAGOWNOFSA-N 1 1 387.488 0.769 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@H]2CCCCO2)cn1 ZINC000549659418 1192560528 /nfs/dbraw/zinc/56/05/28/1192560528.db2.gz HIXXRFMNNPDMTJ-IAGOWNOFSA-N 1 1 387.488 0.769 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614102996 1192905118 /nfs/dbraw/zinc/90/51/18/1192905118.db2.gz AFCXHJCKSNTDCN-IRXDYDNUSA-N 1 1 397.472 0.812 10 0 GCAEMO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000332831047 1192906337 /nfs/dbraw/zinc/90/63/37/1192906337.db2.gz RPBNXQSSMMIVQS-WMZOPIPTSA-N 1 1 394.564 0.007 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)N1CC[NH+](C)CC1 ZINC000332833343 1192906671 /nfs/dbraw/zinc/90/66/71/1192906671.db2.gz AQCFSWYYVLOJEH-BRWVUGGUSA-N 1 1 375.517 0.947 10 0 GCAEMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154281195 1184374269 /nfs/dbraw/zinc/37/42/69/1184374269.db2.gz XDCAHXRXYZBBEE-RTBURBONSA-N 1 1 382.464 0.811 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000510240452 1184640004 /nfs/dbraw/zinc/64/00/04/1184640004.db2.gz KDFJLKGNXBYTBI-INIZCTEOSA-N 1 1 381.498 0.888 10 0 GCAEMO CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000510255832 1184674103 /nfs/dbraw/zinc/67/41/03/1184674103.db2.gz SDEQPQHDQLEQCE-UHFFFAOYSA-N 1 1 389.518 0.049 10 0 GCAEMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539087 1184703370 /nfs/dbraw/zinc/70/33/70/1184703370.db2.gz CRUJJZZYIMENIG-ZBFHGGJFSA-N 1 1 385.472 0.727 10 0 GCAEMO CNC(=O)c1ccn([C@@H]2CCC[N@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539087 1184703373 /nfs/dbraw/zinc/70/33/73/1184703373.db2.gz CRUJJZZYIMENIG-ZBFHGGJFSA-N 1 1 385.472 0.727 10 0 GCAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275660638 1184881215 /nfs/dbraw/zinc/88/12/15/1184881215.db2.gz LAXSBMFLNMPJPY-JKSUJKDBSA-N 1 1 376.505 0.780 10 0 GCAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275660634 1184881650 /nfs/dbraw/zinc/88/16/50/1184881650.db2.gz LAXSBMFLNMPJPY-HOTGVXAUSA-N 1 1 376.505 0.780 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000655297206 1184970361 /nfs/dbraw/zinc/97/03/61/1184970361.db2.gz GLRRLTGHFKZLHW-QWHCGFSZSA-N 1 1 384.429 0.079 10 0 GCAEMO Cc1c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000328690536 1185000399 /nfs/dbraw/zinc/00/03/99/1185000399.db2.gz BSRMOVDFADACFO-MRXNPFEDSA-N 1 1 399.499 0.918 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000275844227 1185177068 /nfs/dbraw/zinc/17/70/68/1185177068.db2.gz APAQHPQDIJYBNR-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000275844227 1185177071 /nfs/dbraw/zinc/17/70/71/1185177071.db2.gz APAQHPQDIJYBNR-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880141 1185222387 /nfs/dbraw/zinc/22/23/87/1185222387.db2.gz GXWXIUMWJPQCGG-CABCVRRESA-N 1 1 378.477 0.643 10 0 GCAEMO CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880141 1185222392 /nfs/dbraw/zinc/22/23/92/1185222392.db2.gz GXWXIUMWJPQCGG-CABCVRRESA-N 1 1 378.477 0.643 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)CC2)n1 ZINC000119195785 1185275610 /nfs/dbraw/zinc/27/56/10/1185275610.db2.gz KOYATABMVMVYGX-UHFFFAOYSA-N 1 1 384.440 0.606 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)CC2)n1 ZINC000119195785 1185275616 /nfs/dbraw/zinc/27/56/16/1185275616.db2.gz KOYATABMVMVYGX-UHFFFAOYSA-N 1 1 384.440 0.606 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000580587036 1185281862 /nfs/dbraw/zinc/28/18/62/1185281862.db2.gz UYSHFSACZMGKRR-UHFFFAOYSA-N 1 1 387.484 0.303 10 0 GCAEMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)CC1 ZINC000684143077 1185495798 /nfs/dbraw/zinc/49/57/98/1185495798.db2.gz FYMBRVJSEARTAW-NRFANRHFSA-N 1 1 390.528 0.616 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C12CCOCC2 ZINC000581278663 1185568874 /nfs/dbraw/zinc/56/88/74/1185568874.db2.gz VTYSALDDUXPTOK-IXDOHACOSA-N 1 1 379.501 0.774 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C12CCOCC2 ZINC000581278663 1185568879 /nfs/dbraw/zinc/56/88/79/1185568879.db2.gz VTYSALDDUXPTOK-IXDOHACOSA-N 1 1 379.501 0.774 10 0 GCAEMO Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[C@@H](NC(N)=O)C3)CC2)oc1C ZINC000535672639 1186198196 /nfs/dbraw/zinc/19/81/96/1186198196.db2.gz VTOKHPSMUKRKIM-OAHLLOKOSA-N 1 1 378.477 0.956 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157611970 1186365452 /nfs/dbraw/zinc/36/54/52/1186365452.db2.gz KRNATHRNVDOWRH-ZYHUDNBSSA-N 1 1 390.488 0.848 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157612127 1186365834 /nfs/dbraw/zinc/36/58/34/1186365834.db2.gz KRNATHRNVDOWRH-CMPLNLGQSA-N 1 1 390.488 0.848 10 0 GCAEMO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1=O ZINC000582055306 1186386240 /nfs/dbraw/zinc/38/62/40/1186386240.db2.gz BJTAVUDMPIPPSK-UHFFFAOYSA-N 1 1 390.440 0.118 10 0 GCAEMO CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000582193956 1186460399 /nfs/dbraw/zinc/46/03/99/1186460399.db2.gz KIUQXVFRZCQBNX-INIZCTEOSA-N 1 1 392.504 0.462 10 0 GCAEMO CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000582193956 1186460401 /nfs/dbraw/zinc/46/04/01/1186460401.db2.gz KIUQXVFRZCQBNX-INIZCTEOSA-N 1 1 392.504 0.462 10 0 GCAEMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1(C)C ZINC000072897844 1186523323 /nfs/dbraw/zinc/52/33/23/1186523323.db2.gz AFWPNTCDHUOHSA-BFUOFWGJSA-N 1 1 377.489 0.959 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@]2(CCCOC2)O1 ZINC000582478845 1186546332 /nfs/dbraw/zinc/54/63/32/1186546332.db2.gz VZXKUNZHZKZHNW-JDQBCZDHSA-N 1 1 379.501 0.914 10 0 GCAEMO CC1(C)C[N@H+](C2(CNC(=O)NC[C@H](O)Cn3ccnn3)CCCCC2)CCO1 ZINC000458370312 1186759567 /nfs/dbraw/zinc/75/95/67/1186759567.db2.gz SZNHOEHLKGNSHW-INIZCTEOSA-N 1 1 394.520 0.752 10 0 GCAEMO Cc1nc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]c1C ZINC000154355798 1186788856 /nfs/dbraw/zinc/78/88/56/1186788856.db2.gz CMIUMLNQMCSXKU-UHFFFAOYSA-N 1 1 375.473 0.403 10 0 GCAEMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458423470 1186792483 /nfs/dbraw/zinc/79/24/83/1186792483.db2.gz ATWLSFXYPBQPAO-AEFFLSMTSA-N 1 1 387.488 0.149 10 0 GCAEMO CC(=O)N1CCCC[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000375739919 1186878417 /nfs/dbraw/zinc/87/84/17/1186878417.db2.gz CSKKKZHQEOLPSD-SFHVURJKSA-N 1 1 378.517 0.790 10 0 GCAEMO CC[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000583710375 1186924729 /nfs/dbraw/zinc/92/47/29/1186924729.db2.gz WIGBRRIAJZLJGH-UHFFFAOYSA-N 1 1 378.517 0.838 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000583753696 1186932295 /nfs/dbraw/zinc/93/22/95/1186932295.db2.gz DOFPZNQVTWXRAZ-AWEZNQCLSA-N 1 1 389.424 0.623 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000158686447 1186987219 /nfs/dbraw/zinc/98/72/19/1186987219.db2.gz ZGLLDDWEBSVTOG-IRXDYDNUSA-N 1 1 379.505 0.986 10 0 GCAEMO c1cnc(-c2nnc(N3CC[NH+]([C@@H]4CCOC4)CC3)n2C[C@@H]2CCCO2)nc1 ZINC000611877733 1187075301 /nfs/dbraw/zinc/07/53/01/1187075301.db2.gz AQPFGYOLEACLMC-CVEARBPZSA-N 1 1 385.472 0.825 10 0 GCAEMO CO[C@@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(N[C@H]3CC[C@@H](OC)C3)[nH+]2)C1 ZINC000472437003 1187513167 /nfs/dbraw/zinc/51/31/67/1187513167.db2.gz KFNQVHTXPAEBFN-CAOSSQGBSA-N 1 1 392.504 0.511 10 0 GCAEMO COc1ccc(-c2noc(CN3CC[NH+](CCO)CC3)n2)c(OC)c1OC ZINC000023375026 1187598736 /nfs/dbraw/zinc/59/87/36/1187598736.db2.gz QSJZKQCUQRVRRL-UHFFFAOYSA-N 1 1 378.429 0.872 10 0 GCAEMO CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000472528505 1187703849 /nfs/dbraw/zinc/70/38/49/1187703849.db2.gz LPQOEXLGKQYVBR-IRXDYDNUSA-N 1 1 388.468 0.696 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCN=C4C3=NNN4C)cc2)CC1 ZINC000613288061 1187714902 /nfs/dbraw/zinc/71/49/02/1187714902.db2.gz LPHQIKKWKTVWKY-QGZVFWFLSA-N 1 1 397.483 0.514 10 0 GCAEMO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000658902421 1187746680 /nfs/dbraw/zinc/74/66/80/1187746680.db2.gz WRBVNTHDUKYFPN-SFHVURJKSA-N 1 1 388.468 0.665 10 0 GCAEMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2cccnn2)CC1 ZINC000170631784 1187758501 /nfs/dbraw/zinc/75/85/01/1187758501.db2.gz KELXNODGSZGGTP-UHFFFAOYSA-N 1 1 380.496 0.943 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000332796351 1187776955 /nfs/dbraw/zinc/77/69/55/1187776955.db2.gz JDYBQRNPILHYSZ-BZUAXINKSA-N 1 1 385.530 0.260 10 0 GCAEMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000332818091 1187784505 /nfs/dbraw/zinc/78/45/05/1187784505.db2.gz REIRFRWPZWLWPD-PVAVHDDUSA-N 1 1 397.541 0.403 10 0 GCAEMO CCc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407979996 1187955866 /nfs/dbraw/zinc/95/58/66/1187955866.db2.gz DCHRZGNPTUGYOO-DOMZBBRYSA-N 1 1 387.484 0.607 10 0 GCAEMO NC(=O)C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000376611801 1187995234 /nfs/dbraw/zinc/99/52/34/1187995234.db2.gz JDZIHCPQPUZJSY-HNNXBMFYSA-N 1 1 377.464 0.855 10 0 GCAEMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@@H](CC(N)=O)C2)CC1 ZINC000376632372 1188014166 /nfs/dbraw/zinc/01/41/66/1188014166.db2.gz MEARBMHWUVBGAE-HNNXBMFYSA-N 1 1 397.520 0.836 10 0 GCAEMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000328638954 1188115010 /nfs/dbraw/zinc/11/50/10/1188115010.db2.gz PGSCYXYVVQIQHG-IHRRRGAJSA-N 1 1 379.436 0.871 10 0 GCAEMO C[C@H](CNC(=O)C(=O)NCc1nnc2ccccn21)[N@@H+]1CCc2ccccc2C1 ZINC000584767632 1189656767 /nfs/dbraw/zinc/65/67/67/1189656767.db2.gz DUIYPBYHRKZWFC-OAHLLOKOSA-N 1 1 392.463 0.909 10 0 GCAEMO C[C@H](CNC(=O)C(=O)NCc1nnc2ccccn21)[N@H+]1CCc2ccccc2C1 ZINC000584767632 1189656775 /nfs/dbraw/zinc/65/67/75/1189656775.db2.gz DUIYPBYHRKZWFC-OAHLLOKOSA-N 1 1 392.463 0.909 10 0 GCAEMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@@H]1O ZINC000408094031 1189763065 /nfs/dbraw/zinc/76/30/65/1189763065.db2.gz XVAYXWGTELCUQC-ZBFHGGJFSA-N 1 1 399.488 0.361 10 0 GCAEMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)cc2)C[C@@H](C)O1 ZINC000150742075 1189793848 /nfs/dbraw/zinc/79/38/48/1189793848.db2.gz HKSYBNBOULTFLR-ZIAGYGMSSA-N 1 1 386.452 0.946 10 0 GCAEMO c1ccc(Cn2c([C@H]3COCCO3)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)cc1 ZINC000549515542 1189871255 /nfs/dbraw/zinc/87/12/55/1189871255.db2.gz MBPQMMFZHIYCCM-QZTJIDSGSA-N 1 1 385.468 0.935 10 0 GCAEMO c1ccc(Cn2c([C@H]3COCCO3)nnc2N2CC[N@H+]3CCOC[C@H]3C2)cc1 ZINC000549515542 1189871263 /nfs/dbraw/zinc/87/12/63/1189871263.db2.gz MBPQMMFZHIYCCM-QZTJIDSGSA-N 1 1 385.468 0.935 10 0 GCAEMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408136506 1189934514 /nfs/dbraw/zinc/93/45/14/1189934514.db2.gz FHOVUFDGQNFXAG-MRXNPFEDSA-N 1 1 393.532 0.583 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)[C@@H](C)C1 ZINC000247236085 1193735316 /nfs/dbraw/zinc/73/53/16/1193735316.db2.gz DEAYUQBFTYPNIC-DZGCQCFKSA-N 1 1 387.484 0.743 10 0 GCAEMO Cn1c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2n(c1=O)CCCC2 ZINC000333254512 1193876397 /nfs/dbraw/zinc/87/63/97/1193876397.db2.gz DYXOHALPSUGIRU-INIZCTEOSA-N 1 1 375.517 0.765 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000504447229 1194794584 /nfs/dbraw/zinc/79/45/84/1194794584.db2.gz ZIAWXKXWUWVPQZ-MRXNPFEDSA-N 1 1 379.482 0.575 10 0 GCAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000637921778 1194829176 /nfs/dbraw/zinc/82/91/76/1194829176.db2.gz FTPOLLWLIYEMGN-IAGOWNOFSA-N 1 1 382.530 0.234 10 0 GCAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000637921778 1194829178 /nfs/dbraw/zinc/82/91/78/1194829178.db2.gz FTPOLLWLIYEMGN-IAGOWNOFSA-N 1 1 382.530 0.234 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434554479 1194850342 /nfs/dbraw/zinc/85/03/42/1194850342.db2.gz CNCIOOZXPSPBMW-HNNXBMFYSA-N 1 1 394.497 0.666 10 0 GCAEMO CN(C)c1nc(N2CCN([C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc[nH+]1 ZINC000435069373 1194886771 /nfs/dbraw/zinc/88/67/71/1194886771.db2.gz YLFQJXSDWWFKCJ-HNNXBMFYSA-N 1 1 384.488 0.594 10 0 GCAEMO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC[N@H+](CCO)CC3)ccc2O1 ZINC000366683369 1195183069 /nfs/dbraw/zinc/18/30/69/1195183069.db2.gz AZVMWYGGKRHXTN-QGZVFWFLSA-N 1 1 398.481 0.242 10 0 GCAEMO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC[N@@H+](CCO)CC3)ccc2O1 ZINC000366683369 1195183070 /nfs/dbraw/zinc/18/30/70/1195183070.db2.gz AZVMWYGGKRHXTN-QGZVFWFLSA-N 1 1 398.481 0.242 10 0 GCAEMO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCC[N@H+](CCO)CC3)ccc2O1 ZINC000366683367 1195183140 /nfs/dbraw/zinc/18/31/40/1195183140.db2.gz AZVMWYGGKRHXTN-KRWDZBQOSA-N 1 1 398.481 0.242 10 0 GCAEMO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCC[N@@H+](CCO)CC3)ccc2O1 ZINC000366683367 1195183142 /nfs/dbraw/zinc/18/31/42/1195183142.db2.gz AZVMWYGGKRHXTN-KRWDZBQOSA-N 1 1 398.481 0.242 10 0 GCAEMO CCC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000517857001 1195224676 /nfs/dbraw/zinc/22/46/76/1195224676.db2.gz HEJKVGAZXSJYBC-HNNXBMFYSA-N 1 1 382.486 0.524 10 0 GCAEMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187651690 1195419714 /nfs/dbraw/zinc/41/97/14/1195419714.db2.gz TUOJQHRMKIAFRB-IAGOWNOFSA-N 1 1 376.501 0.745 10 0 GCAEMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187651690 1195419717 /nfs/dbraw/zinc/41/97/17/1195419717.db2.gz TUOJQHRMKIAFRB-IAGOWNOFSA-N 1 1 376.501 0.745 10 0 GCAEMO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000187689438 1195420145 /nfs/dbraw/zinc/42/01/45/1195420145.db2.gz ITKOGANRGPZBMP-QGZVFWFLSA-N 1 1 382.549 0.386 10 0 GCAEMO CC(C)CCNC(=O)C1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000187689438 1195420147 /nfs/dbraw/zinc/42/01/47/1195420147.db2.gz ITKOGANRGPZBMP-QGZVFWFLSA-N 1 1 382.549 0.386 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[N@@H+]1CCO ZINC000187715023 1195421215 /nfs/dbraw/zinc/42/12/15/1195421215.db2.gz RRAGWTDIPCOFAX-CYBMUJFWSA-N 1 1 378.864 0.858 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[N@H+]1CCO ZINC000187715023 1195421216 /nfs/dbraw/zinc/42/12/16/1195421216.db2.gz RRAGWTDIPCOFAX-CYBMUJFWSA-N 1 1 378.864 0.858 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050111 1195424790 /nfs/dbraw/zinc/42/47/90/1195424790.db2.gz TYUQHHYWVFGPKY-JKSUJKDBSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050111 1195424793 /nfs/dbraw/zinc/42/47/93/1195424793.db2.gz TYUQHHYWVFGPKY-JKSUJKDBSA-N 1 1 392.504 0.506 10 0 GCAEMO CC[N@H+]1CCC[C@H](CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000507379093 1195514070 /nfs/dbraw/zinc/51/40/70/1195514070.db2.gz MFRSALRPQXRUEH-QGZVFWFLSA-N 1 1 379.549 0.962 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CC2)n[nH]1 ZINC000440746855 1195580532 /nfs/dbraw/zinc/58/05/32/1195580532.db2.gz KLPKFAKTJZNLOZ-UHFFFAOYSA-N 1 1 399.499 0.500 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000440925122 1195589849 /nfs/dbraw/zinc/58/98/49/1195589849.db2.gz LAYYNIKTHLQLKZ-ZYHUDNBSSA-N 1 1 385.461 0.766 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000441024832 1195597660 /nfs/dbraw/zinc/59/76/60/1195597660.db2.gz FULXASFHJOGCEZ-BBRMVZONSA-N 1 1 396.513 0.722 10 0 GCAEMO COc1cccc(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000441245115 1195615527 /nfs/dbraw/zinc/61/55/27/1195615527.db2.gz DPDSILISKOPIES-INIZCTEOSA-N 1 1 377.489 0.875 10 0 GCAEMO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550400870 1195655848 /nfs/dbraw/zinc/65/58/48/1195655848.db2.gz PHNPPGLMXSQFOU-ZWKOTPCHSA-N 1 1 386.496 0.894 10 0 GCAEMO COc1cccc(CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000441430599 1195676587 /nfs/dbraw/zinc/67/65/87/1195676587.db2.gz SATVQAYIZDCQCK-UHFFFAOYSA-N 1 1 399.499 0.934 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229820275 1195762323 /nfs/dbraw/zinc/76/23/23/1195762323.db2.gz GRDGTQVUEMXALM-HZPDHXFCSA-N 1 1 377.489 0.935 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229820275 1195762327 /nfs/dbraw/zinc/76/23/27/1195762327.db2.gz GRDGTQVUEMXALM-HZPDHXFCSA-N 1 1 377.489 0.935 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000441492493 1195763642 /nfs/dbraw/zinc/76/36/42/1195763642.db2.gz QXZBYPBTTYWBCI-XJKSGUPXSA-N 1 1 394.497 0.476 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)Nc1ccc(N3CCC[N@@H+](C)CC3)cc1)c2=O ZINC000046404482 1195822659 /nfs/dbraw/zinc/82/26/59/1195822659.db2.gz XZPWIJRCPSJVLL-UHFFFAOYSA-N 1 1 395.467 0.911 10 0 GCAEMO NC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491469 1195839012 /nfs/dbraw/zinc/83/90/12/1195839012.db2.gz LOZFMTJYBAMSSU-QGZVFWFLSA-N 1 1 387.484 0.008 10 0 GCAEMO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491469 1195839016 /nfs/dbraw/zinc/83/90/16/1195839016.db2.gz LOZFMTJYBAMSSU-QGZVFWFLSA-N 1 1 387.484 0.008 10 0 GCAEMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442112361 1195954534 /nfs/dbraw/zinc/95/45/34/1195954534.db2.gz PXRSLPJJGWFJCG-OAHLLOKOSA-N 1 1 394.497 0.452 10 0 GCAEMO COc1cccc(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)n1 ZINC000442347609 1195980247 /nfs/dbraw/zinc/98/02/47/1195980247.db2.gz VJIUHYZWRFMXEQ-UHFFFAOYSA-N 1 1 399.451 0.888 10 0 GCAEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000442584385 1195995189 /nfs/dbraw/zinc/99/51/89/1195995189.db2.gz VGAJYVUFQLIBBU-CYBMUJFWSA-N 1 1 382.486 0.333 10 0 GCAEMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000550476596 1196051037 /nfs/dbraw/zinc/05/10/37/1196051037.db2.gz CVTNOQUZBFNQNK-IYBDPMFKSA-N 1 1 399.495 0.962 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000248164126 1196072000 /nfs/dbraw/zinc/07/20/00/1196072000.db2.gz SQIAWJXVNOFKNZ-KZNAEPCWSA-N 1 1 378.517 0.395 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000550535349 1196078790 /nfs/dbraw/zinc/07/87/90/1196078790.db2.gz PWUMUEVMAXMIPQ-UHFFFAOYSA-N 1 1 387.484 0.303 10 0 GCAEMO CNC(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000329184107 1196173677 /nfs/dbraw/zinc/17/36/77/1196173677.db2.gz FVCBBTONOSBJEY-UHFFFAOYSA-N 1 1 387.484 0.458 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C(=O)CO)CC3)cc2F)CC1 ZINC000179331413 1196178106 /nfs/dbraw/zinc/17/81/06/1196178106.db2.gz KJZKBFAERUESII-UHFFFAOYSA-N 1 1 378.448 0.244 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cccn1 ZINC000329437963 1196195574 /nfs/dbraw/zinc/19/55/74/1196195574.db2.gz JNVUSTWHNYEMTD-IRXDYDNUSA-N 1 1 377.489 0.616 10 0 GCAEMO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000329451429 1196197466 /nfs/dbraw/zinc/19/74/66/1196197466.db2.gz CRHUUXIIIPVQBE-MRXNPFEDSA-N 1 1 380.514 0.487 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000329461277 1196198297 /nfs/dbraw/zinc/19/82/97/1196198297.db2.gz PSBWIASTIPQYQZ-MRXNPFEDSA-N 1 1 381.498 0.985 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1C ZINC000329660768 1196218024 /nfs/dbraw/zinc/21/80/24/1196218024.db2.gz OHAPIYNPBVSWAV-QGZVFWFLSA-N 1 1 377.537 0.184 10 0 GCAEMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524977968 1196641287 /nfs/dbraw/zinc/64/12/87/1196641287.db2.gz YTZZHPRVQKMPCK-UHFFFAOYSA-N 1 1 396.455 0.078 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000193270707 1196677164 /nfs/dbraw/zinc/67/71/64/1196677164.db2.gz QYDRQLPYICUWDB-KRWDZBQOSA-N 1 1 375.521 0.771 10 0 GCAEMO COc1ccc(F)c(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000447148414 1196697831 /nfs/dbraw/zinc/69/78/31/1196697831.db2.gz WTQIWWIASPYUBJ-LBPRGKRZSA-N 1 1 380.420 0.476 10 0 GCAEMO O=C(CC(F)(F)F)N1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000526095744 1196739991 /nfs/dbraw/zinc/73/99/91/1196739991.db2.gz WRJFIEJAJQCPSI-UHFFFAOYSA-N 1 1 380.411 0.951 10 0 GCAEMO C[C@@H](C(=O)NCC(F)(F)F)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121303649 1196955129 /nfs/dbraw/zinc/95/51/29/1196955129.db2.gz SGRBCCYGGWATOR-ZDUSSCGKSA-N 1 1 378.439 0.930 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137818 1196972551 /nfs/dbraw/zinc/97/25/51/1196972551.db2.gz POYWFICYKMEHFA-BBRMVZONSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137818 1196972553 /nfs/dbraw/zinc/97/25/53/1196972553.db2.gz POYWFICYKMEHFA-BBRMVZONSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451127657 1196974193 /nfs/dbraw/zinc/97/41/93/1196974193.db2.gz ANGQLBHRHWOVDA-XHSDSOJGSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137570 1196974779 /nfs/dbraw/zinc/97/47/79/1196974779.db2.gz PJDNIDQBIRPXFV-ZBFHGGJFSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137570 1196974781 /nfs/dbraw/zinc/97/47/81/1196974781.db2.gz PJDNIDQBIRPXFV-ZBFHGGJFSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC12COC2 ZINC000451144796 1196975029 /nfs/dbraw/zinc/97/50/29/1196975029.db2.gz YEXMWNONZZJEGK-SJLPKXTDSA-N 1 1 392.452 0.896 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1S(N)(=O)=O ZINC000452171308 1197043563 /nfs/dbraw/zinc/04/35/63/1197043563.db2.gz PZQVKNDFMAWZEF-GFCCVEGCSA-N 1 1 399.488 0.967 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1S(N)(=O)=O ZINC000452171309 1197043728 /nfs/dbraw/zinc/04/37/28/1197043728.db2.gz PZQVKNDFMAWZEF-LBPRGKRZSA-N 1 1 399.488 0.967 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000531294744 1197063687 /nfs/dbraw/zinc/06/36/87/1197063687.db2.gz SGQRDFJPYHWRCR-HXUWFJFHSA-N 1 1 385.468 0.659 10 0 GCAEMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000531804070 1197098450 /nfs/dbraw/zinc/09/84/50/1197098450.db2.gz DFUVFIACDVMEJU-YJBOKZPZSA-N 1 1 377.533 0.713 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000170856250 1197155096 /nfs/dbraw/zinc/15/50/96/1197155096.db2.gz NVLRSUQCDSKFCJ-JKSUJKDBSA-N 1 1 395.529 0.734 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000171761500 1197158553 /nfs/dbraw/zinc/15/85/53/1197158553.db2.gz QHTIGGDZCWTOTK-GOSISDBHSA-N 1 1 381.565 0.909 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000171938030 1197159346 /nfs/dbraw/zinc/15/93/46/1197159346.db2.gz MJLFTDRATJLFDQ-UHFFFAOYSA-N 1 1 397.545 0.468 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000173967329 1197178564 /nfs/dbraw/zinc/17/85/64/1197178564.db2.gz CAJUFZKYKDCTPK-GFCCVEGCSA-N 1 1 390.406 0.707 10 0 GCAEMO Cc1nsc(N2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC000174995191 1197182719 /nfs/dbraw/zinc/18/27/19/1197182719.db2.gz WSJNUYQHHGRHTJ-MRXNPFEDSA-N 1 1 396.561 0.442 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000177174046 1197188770 /nfs/dbraw/zinc/18/87/70/1197188770.db2.gz RKOTUTZNASQMCE-JKSUJKDBSA-N 1 1 397.545 0.466 10 0 GCAEMO Cn1c2ncn(CC[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)c2c(=O)n(C)c1=O ZINC000182217555 1197206923 /nfs/dbraw/zinc/20/69/23/1197206923.db2.gz AJIFONMNJJACQO-AWEZNQCLSA-N 1 1 397.435 1.000 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)CC1 ZINC000184753440 1197213274 /nfs/dbraw/zinc/21/32/74/1197213274.db2.gz YHHVTJPJUNGREL-INIZCTEOSA-N 1 1 376.505 0.557 10 0 GCAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000186149219 1197226784 /nfs/dbraw/zinc/22/67/84/1197226784.db2.gz DZRCMJYKIBEWCS-SJLPKXTDSA-N 1 1 388.516 0.902 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@]3(C1)OCc1ccccc13)c(=O)n2C ZINC000186643023 1197228730 /nfs/dbraw/zinc/22/87/30/1197228730.db2.gz NMSQCEOCFVOXAX-OAQYLSRUSA-N 1 1 395.463 0.955 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)C1 ZINC000191195227 1197242687 /nfs/dbraw/zinc/24/26/87/1197242687.db2.gz OTXLTGHJEYJNMU-QZTJIDSGSA-N 1 1 395.573 0.983 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000364933176 1197244790 /nfs/dbraw/zinc/24/47/90/1197244790.db2.gz XOKNGJGNVUULPB-LBTNJELSSA-N 1 1 380.489 0.543 10 0 GCAEMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000453959771 1197263776 /nfs/dbraw/zinc/26/37/76/1197263776.db2.gz FSAYLCBQHXESOV-AWEZNQCLSA-N 1 1 382.486 0.476 10 0 GCAEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000453959771 1197263780 /nfs/dbraw/zinc/26/37/80/1197263780.db2.gz FSAYLCBQHXESOV-AWEZNQCLSA-N 1 1 382.486 0.476 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000170953648 1197308153 /nfs/dbraw/zinc/30/81/53/1197308153.db2.gz GFPHDEXAUOCLGI-SFHVURJKSA-N 1 1 394.541 0.717 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000454075008 1197320231 /nfs/dbraw/zinc/32/02/31/1197320231.db2.gz XWLXXJGZHGIFNZ-UHFFFAOYSA-N 1 1 382.486 0.524 10 0 GCAEMO CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477326 1197336789 /nfs/dbraw/zinc/33/67/89/1197336789.db2.gz DVOLUZSKTYLRQA-UHFFFAOYSA-N 1 1 388.516 0.733 10 0 GCAEMO CC(C)CC(=O)NCCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119746576 1197341116 /nfs/dbraw/zinc/34/11/16/1197341116.db2.gz UWCIXCDAZLENAM-UHFFFAOYSA-N 1 1 380.533 0.942 10 0 GCAEMO C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000332867270 1197345655 /nfs/dbraw/zinc/34/56/55/1197345655.db2.gz VXQJDSRUAUGOIP-IRXDYDNUSA-N 1 1 382.505 0.235 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CC[C@@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519033 1197351926 /nfs/dbraw/zinc/35/19/26/1197351926.db2.gz ZLFQHQLSQQEPQD-ZIAGYGMSSA-N 1 1 380.518 0.489 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000124411539 1197352926 /nfs/dbraw/zinc/35/29/26/1197352926.db2.gz SJXVFKYQBURMHW-CQSZACIVSA-N 1 1 394.907 0.823 10 0 GCAEMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000126947359 1197359342 /nfs/dbraw/zinc/35/93/42/1197359342.db2.gz JREOBVLJTUVPOF-UHFFFAOYSA-N 1 1 382.530 0.533 10 0 GCAEMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000126947359 1197359345 /nfs/dbraw/zinc/35/93/45/1197359345.db2.gz JREOBVLJTUVPOF-UHFFFAOYSA-N 1 1 382.530 0.533 10 0 GCAEMO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1)C(=O)N(C)C ZINC000129298530 1197365833 /nfs/dbraw/zinc/36/58/33/1197365833.db2.gz NBNUAHYGYHTFBR-OAHLLOKOSA-N 1 1 386.496 0.881 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000130142683 1197370551 /nfs/dbraw/zinc/37/05/51/1197370551.db2.gz HGWDLICXPNTJCU-QGZVFWFLSA-N 1 1 386.562 0.623 10 0 GCAEMO Cn1cc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000194736105 1197399827 /nfs/dbraw/zinc/39/98/27/1197399827.db2.gz CTYAJGMQOWBZCB-IJDCCNJMSA-N 1 1 382.464 0.736 10 0 GCAEMO CC[C@H](C)[C@H](NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)C(=O)OC ZINC000532731258 1197406413 /nfs/dbraw/zinc/40/64/13/1197406413.db2.gz AJWRCWFCDXIEDD-YOEHRIQHSA-N 1 1 392.504 0.369 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000533154764 1197436187 /nfs/dbraw/zinc/43/61/87/1197436187.db2.gz QUYFNWMETBHSAE-HXUWFJFHSA-N 1 1 385.468 0.729 10 0 GCAEMO CC[C@H](C)[C@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)OC ZINC000245945908 1197440338 /nfs/dbraw/zinc/44/03/38/1197440338.db2.gz KMYFYKRUTGWKPG-PXKYIRMRSA-N 1 1 394.560 0.933 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCNC(=O)C3CC3)CC2)CC1 ZINC000066858860 1197467306 /nfs/dbraw/zinc/46/73/06/1197467306.db2.gz ZQKJKRYZPALXGI-UHFFFAOYSA-N 1 1 378.517 0.696 10 0 GCAEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)[C@@H]2C1 ZINC000246980242 1197474619 /nfs/dbraw/zinc/47/46/19/1197474619.db2.gz SZGYRCWPYUAVRF-KFWWJZLASA-N 1 1 391.472 0.092 10 0 GCAEMO CC[C@H](CO)N1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000248070275 1197478564 /nfs/dbraw/zinc/47/85/64/1197478564.db2.gz QGLMNIBBRZLQAG-KZNAEPCWSA-N 1 1 380.533 0.234 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@@](C)(C(N)=O)c2ccccc2)C1 ZINC000249724635 1197482976 /nfs/dbraw/zinc/48/29/76/1197482976.db2.gz IRUMNCKVNHVQAA-FXAWDEMLSA-N 1 1 376.501 0.450 10 0 GCAEMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000261803297 1197515375 /nfs/dbraw/zinc/51/53/75/1197515375.db2.gz VXXWPVLMSIJGQR-MRXNPFEDSA-N 1 1 391.497 0.570 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261911330 1197518531 /nfs/dbraw/zinc/51/85/31/1197518531.db2.gz HOGIATVBNRAILC-DOMZBBRYSA-N 1 1 393.469 0.526 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCC(=O)NCCNC(C)=O ZINC000261934075 1197519935 /nfs/dbraw/zinc/51/99/35/1197519935.db2.gz JXBYAKKXFFMTMV-MRXNPFEDSA-N 1 1 376.457 0.201 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000262087169 1197524757 /nfs/dbraw/zinc/52/47/57/1197524757.db2.gz YDBKCSFCWOOLFC-MRXNPFEDSA-N 1 1 393.509 0.760 10 0 GCAEMO C[C@H](C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)n1nnnc1C(C)(C)C ZINC000542708309 1199009147 /nfs/dbraw/zinc/00/91/47/1199009147.db2.gz XVSXSUFSOSDCBV-CYBMUJFWSA-N 1 1 387.492 0.736 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542896912 1199144243 /nfs/dbraw/zinc/14/42/43/1199144243.db2.gz XPGJEIFZFCYPNZ-QGZVFWFLSA-N 1 1 385.468 0.858 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000672223449 1199163702 /nfs/dbraw/zinc/16/37/02/1199163702.db2.gz FSOYSUGGNGLDIL-ZIAGYGMSSA-N 1 1 379.530 0.913 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000672223449 1199163707 /nfs/dbraw/zinc/16/37/07/1199163707.db2.gz FSOYSUGGNGLDIL-ZIAGYGMSSA-N 1 1 379.530 0.913 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000672223529 1199164046 /nfs/dbraw/zinc/16/40/46/1199164046.db2.gz QNRHNVOPZFNKHC-HUUCEWRRSA-N 1 1 379.530 0.867 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000672223528 1199164479 /nfs/dbraw/zinc/16/44/79/1199164479.db2.gz QNRHNVOPZFNKHC-GJZGRUSLSA-N 1 1 379.530 0.867 10 0 GCAEMO CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000672296519 1199193995 /nfs/dbraw/zinc/19/39/95/1199193995.db2.gz PFQAOCOISCTXSU-MSOLQXFVSA-N 1 1 378.517 0.835 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000672308422 1199198661 /nfs/dbraw/zinc/19/86/61/1199198661.db2.gz NECAAWGXWMRFML-GOSISDBHSA-N 1 1 390.528 0.838 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000672307072 1199200245 /nfs/dbraw/zinc/20/02/45/1199200245.db2.gz KDKUVSPWSSEVSG-MJGOQNOKSA-N 1 1 387.480 0.893 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)C2)nn1 ZINC000672403289 1199229371 /nfs/dbraw/zinc/22/93/71/1199229371.db2.gz DMSINMXCQJQCHY-IXDOHACOSA-N 1 1 386.500 0.565 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@@H+]3C[C@@H]1C)CC2 ZINC000672418495 1199231843 /nfs/dbraw/zinc/23/18/43/1199231843.db2.gz LVLQTYBYIVHRRT-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@H+]3C[C@@H]1C)CC2 ZINC000672418495 1199231847 /nfs/dbraw/zinc/23/18/47/1199231847.db2.gz LVLQTYBYIVHRRT-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000672419396 1199232188 /nfs/dbraw/zinc/23/21/88/1199232188.db2.gz WVYXTSLPVADHCQ-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000672597904 1199280445 /nfs/dbraw/zinc/28/04/45/1199280445.db2.gz GFLZDELBUXYRHM-UONOGXRCSA-N 1 1 390.450 0.930 10 0 GCAEMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000672639742 1199295660 /nfs/dbraw/zinc/29/56/60/1199295660.db2.gz FWRMJYBLLYJABN-SFHVURJKSA-N 1 1 399.539 0.620 10 0 GCAEMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000672639742 1199295665 /nfs/dbraw/zinc/29/56/65/1199295665.db2.gz FWRMJYBLLYJABN-SFHVURJKSA-N 1 1 399.539 0.620 10 0 GCAEMO COc1ccc(CCN2C(=O)C[C@@H]([N@H+]3CC[C@@H](CC(N)=O)C3)C2=O)cc1OC ZINC000672773055 1199331751 /nfs/dbraw/zinc/33/17/51/1199331751.db2.gz FASKSFOUEKRGTA-LSDHHAIUSA-N 1 1 389.452 0.571 10 0 GCAEMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000672815466 1199342781 /nfs/dbraw/zinc/34/27/81/1199342781.db2.gz LQAFBOAULKBDBE-UHFFFAOYSA-N 1 1 380.514 0.938 10 0 GCAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000673177999 1199462433 /nfs/dbraw/zinc/46/24/33/1199462433.db2.gz POYHILDHEODNDA-INIZCTEOSA-N 1 1 376.501 0.590 10 0 GCAEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323046 1199542286 /nfs/dbraw/zinc/54/22/86/1199542286.db2.gz ZOORYUSOGNJAOQ-DOTOQJQBSA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323046 1199542289 /nfs/dbraw/zinc/54/22/89/1199542289.db2.gz ZOORYUSOGNJAOQ-DOTOQJQBSA-N 1 1 386.500 0.647 10 0 GCAEMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2nnnn2C)CC1 ZINC000466218444 1199559838 /nfs/dbraw/zinc/55/98/38/1199559838.db2.gz AOWJYRUNWZAZRU-UHFFFAOYSA-N 1 1 386.504 0.689 10 0 GCAEMO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673525225 1199730830 /nfs/dbraw/zinc/73/08/30/1199730830.db2.gz WQYTUHJVLMLJRK-DLBZAZTESA-N 1 1 376.501 0.733 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000124781774 1199855162 /nfs/dbraw/zinc/85/51/62/1199855162.db2.gz CKOIOJXCCJOMAM-QGZVFWFLSA-N 1 1 386.500 0.921 10 0 GCAEMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCCCN1CCCS1(=O)=O)n2C ZINC000673836726 1199958928 /nfs/dbraw/zinc/95/89/28/1199958928.db2.gz VRBWOSIWPJMPJH-UHFFFAOYSA-N 1 1 380.474 0.190 10 0 GCAEMO CCc1n[nH]cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674320521 1200220067 /nfs/dbraw/zinc/22/00/67/1200220067.db2.gz KEAJMOPLCGHTAF-UHFFFAOYSA-N 1 1 377.489 0.663 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000504574242 1200563499 /nfs/dbraw/zinc/56/34/99/1200563499.db2.gz BBABSOZZTCVBRU-KRWDZBQOSA-N 1 1 377.514 0.631 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000436820800 1200610116 /nfs/dbraw/zinc/61/01/16/1200610116.db2.gz SGLBEBMCSZOVGR-CYBMUJFWSA-N 1 1 378.477 0.683 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000547290235 1201031525 /nfs/dbraw/zinc/03/15/25/1201031525.db2.gz KQOSEXOVWIRDLP-UHFFFAOYSA-N 1 1 388.468 0.860 10 0 GCAEMO CCOC(=O)c1cnc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)s1 ZINC000611210925 1201223082 /nfs/dbraw/zinc/22/30/82/1201223082.db2.gz QPCKZORIPHIKIW-AWEZNQCLSA-N 1 1 393.513 0.358 10 0 GCAEMO CC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[NH+]1CCN(C)CC1)C2=O ZINC000053287539 1201335158 /nfs/dbraw/zinc/33/51/58/1201335158.db2.gz MFJGOUPPFZSEAV-UHFFFAOYSA-N 1 1 379.505 0.241 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687269 1201493449 /nfs/dbraw/zinc/49/34/49/1201493449.db2.gz KKMKNOMZUHPBMA-UHFFFAOYSA-N 1 1 388.468 0.473 10 0 GCAEMO CC[NH+]1CCN(C(=O)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687093 1201494518 /nfs/dbraw/zinc/49/45/18/1201494518.db2.gz HBGPOKZIXYSTHK-UHFFFAOYSA-N 1 1 388.468 0.473 10 0 GCAEMO C[N@H+]1CC[C@H](CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000823755206 1201607094 /nfs/dbraw/zinc/60/70/94/1201607094.db2.gz BGWYFCUULDYUNC-SSDOTTSWSA-N 1 1 381.072 0.871 10 0 GCAEMO COC1(OC)CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1O ZINC000824277587 1201640230 /nfs/dbraw/zinc/64/02/30/1201640230.db2.gz KAEXBVPYLUURJP-GOSISDBHSA-N 1 1 395.475 0.920 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000177926704 1201650810 /nfs/dbraw/zinc/65/08/10/1201650810.db2.gz CMRKWGCAWVWIBL-SFHVURJKSA-N 1 1 388.516 0.860 10 0 GCAEMO CC[S@@](=O)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000735098713 1201676114 /nfs/dbraw/zinc/67/61/14/1201676114.db2.gz ZJJMKGJJUFQAFB-AREMUKBSSA-N 1 1 380.514 0.642 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000735197202 1201682629 /nfs/dbraw/zinc/68/26/29/1201682629.db2.gz BFEWHSNIYZTWSW-AREMUKBSSA-N 1 1 380.514 0.652 10 0 GCAEMO CN1CCN(c2ccccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000737249818 1201724673 /nfs/dbraw/zinc/72/46/73/1201724673.db2.gz BXLHVYMHZSRSID-UHFFFAOYSA-N 1 1 382.468 0.422 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C1CC1 ZINC000770759682 1202110466 /nfs/dbraw/zinc/11/04/66/1202110466.db2.gz QWWXJOUQNPKMNQ-HNNXBMFYSA-N 1 1 388.472 0.001 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](C)CC2)C1=O ZINC000771221364 1202130751 /nfs/dbraw/zinc/13/07/51/1202130751.db2.gz YENTVIGLRFWPNB-FQEVSTJZSA-N 1 1 388.468 0.935 10 0 GCAEMO CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 ZINC000771217710 1202130780 /nfs/dbraw/zinc/13/07/80/1202130780.db2.gz UWRNZAVHODIGQR-HXUWFJFHSA-N 1 1 388.468 0.935 10 0 GCAEMO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)cc(=O)oc2c1 ZINC000789379893 1205439725 /nfs/dbraw/zinc/43/97/25/1205439725.db2.gz SILZIKNHPJFQLE-LJQANCHMSA-N 1 1 384.392 0.925 10 0 GCAEMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)cc(=O)oc2c1 ZINC000789379893 1205439728 /nfs/dbraw/zinc/43/97/28/1205439728.db2.gz SILZIKNHPJFQLE-LJQANCHMSA-N 1 1 384.392 0.925 10 0 GCAEMO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)cc(=O)oc2c1 ZINC000789379890 1205439762 /nfs/dbraw/zinc/43/97/62/1205439762.db2.gz SILZIKNHPJFQLE-IBGZPJMESA-N 1 1 384.392 0.925 10 0 GCAEMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)cc(=O)oc2c1 ZINC000789379890 1205439763 /nfs/dbraw/zinc/43/97/63/1205439763.db2.gz SILZIKNHPJFQLE-IBGZPJMESA-N 1 1 384.392 0.925 10 0 GCAEMO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)CN1CC[NH+](C)CC1 ZINC000790192282 1205458309 /nfs/dbraw/zinc/45/83/09/1205458309.db2.gz VUFKNCLUAHLQJQ-RDTXWAMCSA-N 1 1 392.931 0.923 10 0 GCAEMO CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000747090200 1205494169 /nfs/dbraw/zinc/49/41/69/1205494169.db2.gz IGDOMFVZICODLE-APWZRJJASA-N 1 1 383.489 0.261 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000793878265 1205507744 /nfs/dbraw/zinc/50/77/44/1205507744.db2.gz JUMQHRXRVFEOPT-RBUKOAKNSA-N 1 1 386.496 0.751 10 0 GCAEMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000794118583 1205511557 /nfs/dbraw/zinc/51/15/57/1205511557.db2.gz KQIAMPDZGILWIF-HNNXBMFYSA-N 1 1 380.489 0.880 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000805606397 1205540461 /nfs/dbraw/zinc/54/04/61/1205540461.db2.gz ILDJUUXCZWSIEJ-AFMDSPMNSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000805606158 1205540502 /nfs/dbraw/zinc/54/05/02/1205540502.db2.gz UHLXIASGKRRKBJ-AREMUKBSSA-N 1 1 381.502 0.063 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000747380258 1205577191 /nfs/dbraw/zinc/57/71/91/1205577191.db2.gz RIPMCTFNUSMFIN-HOTGVXAUSA-N 1 1 376.482 0.996 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000747380258 1205577192 /nfs/dbraw/zinc/57/71/92/1205577192.db2.gz RIPMCTFNUSMFIN-HOTGVXAUSA-N 1 1 376.482 0.996 10 0 GCAEMO O=S(=O)(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264761090 530166704 /nfs/dbraw/zinc/16/67/04/530166704.db2.gz OTQXCLMALPWECG-HNNXBMFYSA-N 1 1 385.511 0.695 10 0 GCAEMO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000123138082 530273894 /nfs/dbraw/zinc/27/38/94/530273894.db2.gz DSOCTJXHSVXNKR-GFCCVEGCSA-N 1 1 389.909 0.309 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154393289 530318332 /nfs/dbraw/zinc/31/83/32/530318332.db2.gz OVLRBTBVKKKOFD-CYBMUJFWSA-N 1 1 385.262 0.698 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1=O ZINC000175883549 530359209 /nfs/dbraw/zinc/35/92/09/530359209.db2.gz LWKAHVDDZZCHBO-LLVKDONJSA-N 1 1 383.246 0.393 10 0 GCAEMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000183911615 530374834 /nfs/dbraw/zinc/37/48/34/530374834.db2.gz ILCHKIVCHUSNFV-CQSZACIVSA-N 1 1 384.274 0.811 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000190085612 530385870 /nfs/dbraw/zinc/38/58/70/530385870.db2.gz FZDFHGLCNXJIAN-ZYHUDNBSSA-N 1 1 397.273 0.781 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@@H]2C1 ZINC000285004685 530388597 /nfs/dbraw/zinc/38/85/97/530388597.db2.gz LOLAVHCIMYIXMS-VXGBXAGGSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@@H]2C1 ZINC000285004685 530388598 /nfs/dbraw/zinc/38/85/98/530388598.db2.gz LOLAVHCIMYIXMS-VXGBXAGGSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@H]2C1 ZINC000285004676 530388639 /nfs/dbraw/zinc/38/86/39/530388639.db2.gz LOLAVHCIMYIXMS-RYUDHWBXSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@H]2C1 ZINC000285004676 530388642 /nfs/dbraw/zinc/38/86/42/530388642.db2.gz LOLAVHCIMYIXMS-RYUDHWBXSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@H]2C1 ZINC000285276543 530392174 /nfs/dbraw/zinc/39/21/74/530392174.db2.gz ZQYQKPAYHLJUCJ-STQMWFEESA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@H]2C1 ZINC000285276543 530392177 /nfs/dbraw/zinc/39/21/77/530392177.db2.gz ZQYQKPAYHLJUCJ-STQMWFEESA-N 1 1 376.276 0.938 10 0 GCAEMO CC(C)C[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000026067567 530405009 /nfs/dbraw/zinc/40/50/09/530405009.db2.gz UEGJAQFKPBMUFQ-MRXNPFEDSA-N 1 1 375.535 0.521 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3nc4ncc(Br)cn4n3)[C@H]2C1 ZINC000293950694 530456378 /nfs/dbraw/zinc/45/63/78/530456378.db2.gz RWISAZXGVPTFLX-NWDGAFQWSA-N 1 1 395.261 0.822 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C)CO1 ZINC000408234995 530490931 /nfs/dbraw/zinc/49/09/31/530490931.db2.gz GQEVJGIIVOOBED-HZPDHXFCSA-N 1 1 375.535 0.965 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1CCO ZINC000187280406 530510189 /nfs/dbraw/zinc/51/01/89/530510189.db2.gz SZNNAOJUKNYXGN-JTQLQIEISA-N 1 1 390.303 0.765 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)CC[N@H+]1CCO ZINC000187280406 530510192 /nfs/dbraw/zinc/51/01/92/530510192.db2.gz SZNNAOJUKNYXGN-JTQLQIEISA-N 1 1 390.303 0.765 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264938918 530541538 /nfs/dbraw/zinc/54/15/38/530541538.db2.gz FGIWVGICSRLGCW-KBPBESRZSA-N 1 1 387.527 0.794 10 0 GCAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000193312263 530563294 /nfs/dbraw/zinc/56/32/94/530563294.db2.gz IGFGGWNFNVKLGT-SNVBAGLBSA-N 1 1 377.388 0.689 10 0 GCAEMO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171871579 530843775 /nfs/dbraw/zinc/84/37/75/530843775.db2.gz XWAHVSGWBRMFLH-CYBMUJFWSA-N 1 1 380.461 0.740 10 0 GCAEMO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)CCC(F)(F)F ZINC000494396128 530844790 /nfs/dbraw/zinc/84/47/90/530844790.db2.gz ZALFMSZIODSMSP-UHFFFAOYSA-N 1 1 384.424 0.937 10 0 GCAEMO CC[N@@H+](CCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)CCC(F)(F)F ZINC000494396128 530844794 /nfs/dbraw/zinc/84/47/94/530844794.db2.gz ZALFMSZIODSMSP-UHFFFAOYSA-N 1 1 384.424 0.937 10 0 GCAEMO C[N@@H+]1C[C@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)C[C@H]2C1 ZINC000193609961 530949662 /nfs/dbraw/zinc/94/96/62/530949662.db2.gz WPYJKQKRYLTWBX-BETUJISGSA-N 1 1 395.301 0.997 10 0 GCAEMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000285071638 530985729 /nfs/dbraw/zinc/98/57/29/530985729.db2.gz PBANVZDWCYCLET-ZDUSSCGKSA-N 1 1 389.193 0.152 10 0 GCAEMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000285071638 530985730 /nfs/dbraw/zinc/98/57/30/530985730.db2.gz PBANVZDWCYCLET-ZDUSSCGKSA-N 1 1 389.193 0.152 10 0 GCAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC[C@H]21 ZINC000253554281 530987573 /nfs/dbraw/zinc/98/75/73/530987573.db2.gz QYPBWIJGAPBMGD-ZYHUDNBSSA-N 1 1 385.262 0.654 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC2)CCO1 ZINC000372071905 530988797 /nfs/dbraw/zinc/98/87/97/530988797.db2.gz VRXFMFRXKPGXCX-UKRRQHHQSA-N 1 1 375.535 0.662 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000069499581 531055734 /nfs/dbraw/zinc/05/57/34/531055734.db2.gz CSMIXASIOHVGHB-LLVKDONJSA-N 1 1 383.250 0.727 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262736663 531057965 /nfs/dbraw/zinc/05/79/65/531057965.db2.gz AKMPVLBTTXCGSF-YPMHNXCESA-N 1 1 391.515 0.733 10 0 GCAEMO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)sc1S(N)(=O)=O ZINC000328925511 531085962 /nfs/dbraw/zinc/08/59/62/531085962.db2.gz DYCYQJFCSYKYMQ-WCQYABFASA-N 1 1 384.531 1.327 10 0 GCAEMO Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)sc1S(N)(=O)=O ZINC000328925511 531085966 /nfs/dbraw/zinc/08/59/66/531085966.db2.gz DYCYQJFCSYKYMQ-WCQYABFASA-N 1 1 384.531 1.327 10 0 GCAEMO Cn1ncc(Cl)c1S(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429834137 531109994 /nfs/dbraw/zinc/10/99/94/531109994.db2.gz VPUDNNPWZTYNAY-MRXNPFEDSA-N 1 1 384.889 0.989 10 0 GCAEMO CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)C1 ZINC000672181185 531167872 /nfs/dbraw/zinc/16/78/72/531167872.db2.gz XKJMCEKMUFROLE-LBPRGKRZSA-N 1 1 390.531 0.481 10 0 GCAEMO CN(C)S(=O)(=O)c1cc2c(c(C(=O)NC[C@@H]3CCC[N@H+]3C)c1)OCCO2 ZINC000034065126 209245312 /nfs/dbraw/zinc/24/53/12/209245312.db2.gz JTKAQKREMDVCLQ-LBPRGKRZSA-N 1 1 383.470 0.532 10 0 GCAEMO CN(C)S(=O)(=O)N1CC[C@]2(O)CC[N@@H+](CCCc3cccnc3)C[C@@H]2C1 ZINC000095363238 211225963 /nfs/dbraw/zinc/22/59/63/211225963.db2.gz RJOZQAYDZZWTMR-QZTJIDSGSA-N 1 1 382.530 0.579 10 0 GCAEMO COCCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCn3nc(C)cc3C)CC2)C1=O ZINC000097078083 570664479 /nfs/dbraw/zinc/66/44/79/570664479.db2.gz XFIYWRVDJRATTL-GOSISDBHSA-N 1 1 391.516 0.672 10 0 GCAEMO COCCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCn3nc(C)cc3C)CC2)C1=O ZINC000097078083 570664484 /nfs/dbraw/zinc/66/44/84/570664484.db2.gz XFIYWRVDJRATTL-GOSISDBHSA-N 1 1 391.516 0.672 10 0 GCAEMO CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000763497192 640630387 /nfs/dbraw/zinc/63/03/87/640630387.db2.gz AEYBJEHVLUAEBN-CYBMUJFWSA-N 1 1 376.523 0.038 10 0 GCAEMO C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1CCO ZINC000188815634 642054111 /nfs/dbraw/zinc/05/41/11/642054111.db2.gz IIRGZYFNUMSXMH-GFCCVEGCSA-N 1 1 376.425 0.750 10 0 GCAEMO C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1CCO ZINC000188815634 642054115 /nfs/dbraw/zinc/05/41/15/642054115.db2.gz IIRGZYFNUMSXMH-GFCCVEGCSA-N 1 1 376.425 0.750 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000245958974 642061138 /nfs/dbraw/zinc/06/11/38/642061138.db2.gz DAXVPUSBIOCIFX-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000245958974 642061141 /nfs/dbraw/zinc/06/11/41/642061141.db2.gz DAXVPUSBIOCIFX-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000803219603 642173105 /nfs/dbraw/zinc/17/31/05/642173105.db2.gz URJMZIVOXOYOAK-SXBQZSJRSA-N 1 1 385.555 0.961 10 0 GCAEMO COCC[N@H+]1CCCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000048428337 1192186013 /nfs/dbraw/zinc/18/60/13/1192186013.db2.gz IGFROGAPJUDYBG-UHFFFAOYSA-N 1 1 380.489 0.668 10 0 GCAEMO C[C@]1(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000162401149 1192295689 /nfs/dbraw/zinc/29/56/89/1192295689.db2.gz OQZULBYQACFYBH-GOSISDBHSA-N 1 1 391.497 0.701 10 0 GCAEMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000609487729 1192379912 /nfs/dbraw/zinc/37/99/12/1192379912.db2.gz BTWZVKVGPABLJG-UHFFFAOYSA-N 1 1 375.469 0.703 10 0 GCAEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000670835766 1192565102 /nfs/dbraw/zinc/56/51/02/1192565102.db2.gz RHZIUVCHKYZXCY-YOEHRIQHSA-N 1 1 376.501 0.589 10 0 GCAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000670835766 1192565105 /nfs/dbraw/zinc/56/51/05/1192565105.db2.gz RHZIUVCHKYZXCY-YOEHRIQHSA-N 1 1 376.501 0.589 10 0 GCAEMO Cn1cc(N2CC[C@H]([N@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccn3C)C2=O)cn1 ZINC000279823041 1192608667 /nfs/dbraw/zinc/60/86/67/1192608667.db2.gz YIKRQQCSRSTGRV-ZOBUZTSGSA-N 1 1 389.479 0.803 10 0 GCAEMO Cn1cc(N2CC[C@H]([N@@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccn3C)C2=O)cn1 ZINC000279823041 1192608669 /nfs/dbraw/zinc/60/86/69/1192608669.db2.gz YIKRQQCSRSTGRV-ZOBUZTSGSA-N 1 1 389.479 0.803 10 0 GCAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000549800513 1192885406 /nfs/dbraw/zinc/88/54/06/1192885406.db2.gz PVBISXFFMPPMKO-NVXWUHKLSA-N 1 1 392.463 0.982 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000332835687 1192906704 /nfs/dbraw/zinc/90/67/04/1192906704.db2.gz ZKBTTYXMLUVDQK-IBGZPJMESA-N 1 1 387.528 0.970 10 0 GCAEMO CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000683106239 1184120179 /nfs/dbraw/zinc/12/01/79/1184120179.db2.gz VGULTFIWEOOWFJ-RYUDHWBXSA-N 1 1 376.465 0.892 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000547675769 1184289695 /nfs/dbraw/zinc/28/96/95/1184289695.db2.gz SXWJGCVXYQZITM-DLBZAZTESA-N 1 1 396.532 0.909 10 0 GCAEMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@H]2CCO)C[C@@H](C)O1 ZINC000579865251 1184402966 /nfs/dbraw/zinc/40/29/66/1184402966.db2.gz QGJBWDORVCJLLA-RBSFLKMASA-N 1 1 387.546 0.317 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000154622131 1184427371 /nfs/dbraw/zinc/42/73/71/1184427371.db2.gz CZOYHLMVOVEAHQ-NSHDSACASA-N 1 1 377.367 0.299 10 0 GCAEMO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510174206 1184591549 /nfs/dbraw/zinc/59/15/49/1184591549.db2.gz FJIXJVWQTOYWPX-DZGCQCFKSA-N 1 1 388.534 0.652 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000510240453 1184639814 /nfs/dbraw/zinc/63/98/14/1184639814.db2.gz KDFJLKGNXBYTBI-MRXNPFEDSA-N 1 1 381.498 0.888 10 0 GCAEMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510268829 1184710058 /nfs/dbraw/zinc/71/00/58/1184710058.db2.gz OXLAWPUVPYEJPR-WBVHZDCISA-N 1 1 389.562 0.959 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@@H+]1CCO ZINC000547985669 1184876523 /nfs/dbraw/zinc/87/65/23/1184876523.db2.gz KAKSONNAXLPWBE-CQSZACIVSA-N 1 1 381.498 0.514 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@H+]1CCO ZINC000547985669 1184876526 /nfs/dbraw/zinc/87/65/26/1184876526.db2.gz KAKSONNAXLPWBE-CQSZACIVSA-N 1 1 381.498 0.514 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000467073154 1184987634 /nfs/dbraw/zinc/98/76/34/1184987634.db2.gz FHQDUNBHXAXSSZ-XHDPSFHLSA-N 1 1 380.470 0.132 10 0 GCAEMO O=C(CN1CCOCC1=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000548059948 1185054101 /nfs/dbraw/zinc/05/41/01/1185054101.db2.gz MCQKZNWUPOBFOR-UHFFFAOYSA-N 1 1 386.452 0.771 10 0 GCAEMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269471 1185136602 /nfs/dbraw/zinc/13/66/02/1185136602.db2.gz ZJEMDCYJYAIQAB-GXTWGEPZSA-N 1 1 377.445 0.594 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc21 ZINC000683872329 1185163619 /nfs/dbraw/zinc/16/36/19/1185163619.db2.gz CNHUZIUSARUOJI-WMZOPIPTSA-N 1 1 398.463 0.535 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc21 ZINC000683874149 1185166650 /nfs/dbraw/zinc/16/66/50/1185166650.db2.gz ZMBCAHZJITYIPH-UHFFFAOYSA-N 1 1 386.452 0.392 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc21 ZINC000683874149 1185166662 /nfs/dbraw/zinc/16/66/62/1185166662.db2.gz ZMBCAHZJITYIPH-UHFFFAOYSA-N 1 1 386.452 0.392 10 0 GCAEMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000155690265 1185180672 /nfs/dbraw/zinc/18/06/72/1185180672.db2.gz ISCVOYSJHDLKLT-INIZCTEOSA-N 1 1 394.541 0.885 10 0 GCAEMO CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684141018 1185488036 /nfs/dbraw/zinc/48/80/36/1185488036.db2.gz OTGABKUUOOEJKC-XLIONFOSSA-N 1 1 376.501 0.226 10 0 GCAEMO CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684141018 1185488041 /nfs/dbraw/zinc/48/80/41/1185488041.db2.gz OTGABKUUOOEJKC-XLIONFOSSA-N 1 1 376.501 0.226 10 0 GCAEMO Cc1cc(N2CCC(NC(=O)C(=O)N3CCOCC4(CC4)C3)CC2)nc(C)[nH+]1 ZINC000581155217 1185519721 /nfs/dbraw/zinc/51/97/21/1185519721.db2.gz UPYYQSDZSQVKJH-UHFFFAOYSA-N 1 1 387.484 0.817 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000156189601 1185648967 /nfs/dbraw/zinc/64/89/67/1185648967.db2.gz AEJWCMRHJSKQHF-ICSRJNTNSA-N 1 1 388.512 0.633 10 0 GCAEMO CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558849995 1185791129 /nfs/dbraw/zinc/79/11/29/1185791129.db2.gz HKUOGFWDOWEQEW-MRXNPFEDSA-N 1 1 381.444 0.462 10 0 GCAEMO CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558849995 1185791134 /nfs/dbraw/zinc/79/11/34/1185791134.db2.gz HKUOGFWDOWEQEW-MRXNPFEDSA-N 1 1 381.444 0.462 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000510919479 1186165699 /nfs/dbraw/zinc/16/56/99/1186165699.db2.gz IFSXHQKZNRUMMT-CQSZACIVSA-N 1 1 392.422 0.458 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000458118944 1186205996 /nfs/dbraw/zinc/20/59/96/1186205996.db2.gz ZHCUKRUJVARTJC-LSDHHAIUSA-N 1 1 378.502 0.912 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000684640441 1186288183 /nfs/dbraw/zinc/28/81/83/1186288183.db2.gz RJNFODWTNQOGRF-AWEZNQCLSA-N 1 1 376.505 0.767 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684640441 1186288188 /nfs/dbraw/zinc/28/81/88/1186288188.db2.gz RJNFODWTNQOGRF-AWEZNQCLSA-N 1 1 376.505 0.767 10 0 GCAEMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)[C@H](C)C1 ZINC000115271708 1186324422 /nfs/dbraw/zinc/32/44/22/1186324422.db2.gz WKIYRGSQDMYCQP-GDBMZVCRSA-N 1 1 390.488 0.383 10 0 GCAEMO CC(=O)N[C@@](C)(C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000684681323 1186328527 /nfs/dbraw/zinc/32/85/27/1186328527.db2.gz FBZYUYCNBALTHO-MAUKXSAKSA-N 1 1 381.498 0.652 10 0 GCAEMO CC(=O)N[C@](C)(C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000684681324 1186328656 /nfs/dbraw/zinc/32/86/56/1186328656.db2.gz FBZYUYCNBALTHO-QAPCUYQASA-N 1 1 381.498 0.652 10 0 GCAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000120053094 1186368562 /nfs/dbraw/zinc/36/85/62/1186368562.db2.gz CBLVIETZVSGGSS-YOEHRIQHSA-N 1 1 380.452 0.767 10 0 GCAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000120052951 1186368696 /nfs/dbraw/zinc/36/86/96/1186368696.db2.gz CBLVIETZVSGGSS-PBHICJAKSA-N 1 1 380.452 0.767 10 0 GCAEMO c1cnnc(N2CCN(CCCC[NH+]3CCN(c4cccnn4)CC3)CC2)c1 ZINC000157762505 1186386377 /nfs/dbraw/zinc/38/63/77/1186386377.db2.gz SEMJUHDCHMHDLC-UHFFFAOYSA-N 1 1 382.516 0.991 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000559515723 1186420234 /nfs/dbraw/zinc/42/02/34/1186420234.db2.gz YWLMKCMOHJBYHY-IAGOWNOFSA-N 1 1 399.495 0.445 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000559515723 1186420239 /nfs/dbraw/zinc/42/02/39/1186420239.db2.gz YWLMKCMOHJBYHY-IAGOWNOFSA-N 1 1 399.495 0.445 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000158433877 1186502764 /nfs/dbraw/zinc/50/27/64/1186502764.db2.gz LETKTZCTQWQRKM-LBPRGKRZSA-N 1 1 377.367 0.299 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000582523140 1186557200 /nfs/dbraw/zinc/55/72/00/1186557200.db2.gz TZWOXVPQVMZGTR-HLLBOEOZSA-N 1 1 390.484 0.866 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000582523141 1186557449 /nfs/dbraw/zinc/55/74/49/1186557449.db2.gz TZWOXVPQVMZGTR-VYDXJSESSA-N 1 1 390.484 0.866 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000582523142 1186557687 /nfs/dbraw/zinc/55/76/87/1186557687.db2.gz TZWOXVPQVMZGTR-YQQAZPJKSA-N 1 1 390.484 0.866 10 0 GCAEMO COC(=O)C1([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCCC1 ZINC000159218820 1186563155 /nfs/dbraw/zinc/56/31/55/1186563155.db2.gz XTANJRCTYALISA-UHFFFAOYSA-N 1 1 377.445 0.241 10 0 GCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000255518418 1186604398 /nfs/dbraw/zinc/60/43/98/1186604398.db2.gz GXMLZVMTZVNLGQ-DOTOQJQBSA-N 1 1 388.516 0.453 10 0 GCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000255518418 1186604401 /nfs/dbraw/zinc/60/44/01/1186604401.db2.gz GXMLZVMTZVNLGQ-DOTOQJQBSA-N 1 1 388.516 0.453 10 0 GCAEMO COc1ccc([C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)c2nccn2C)cc1 ZINC000582673479 1186605941 /nfs/dbraw/zinc/60/59/41/1186605941.db2.gz IMGNUYJBCKEVGI-KRWDZBQOSA-N 1 1 385.468 0.845 10 0 GCAEMO C[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025639772 1186746302 /nfs/dbraw/zinc/74/63/02/1186746302.db2.gz JSRDKLBQHLOUOJ-CQSZACIVSA-N 1 1 380.452 0.693 10 0 GCAEMO COCCN1C[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1=O ZINC000154750664 1186800697 /nfs/dbraw/zinc/80/06/97/1186800697.db2.gz KADPTJGREIKKKF-HRBLRVMOSA-N 1 1 378.517 0.251 10 0 GCAEMO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458450212 1186807694 /nfs/dbraw/zinc/80/76/94/1186807694.db2.gz YYXJXFAKPAFHNP-SFHVURJKSA-N 1 1 395.548 0.077 10 0 GCAEMO COc1cccc(CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000458535239 1186860509 /nfs/dbraw/zinc/86/05/09/1186860509.db2.gz ZFGWQSHFHOUPPW-UHFFFAOYSA-N 1 1 378.473 0.813 10 0 GCAEMO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000329512229 1186954863 /nfs/dbraw/zinc/95/48/63/1186954863.db2.gz KXUWSJKVVFDLFQ-FUHWJXTLSA-N 1 1 379.526 0.868 10 0 GCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158197216 1186963220 /nfs/dbraw/zinc/96/32/20/1186963220.db2.gz ZBVYHMPTDYKCCM-SJPCQFCGSA-N 1 1 381.546 0.968 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCS[C@@H]3COCC[C@@H]31)c(=O)n2C ZINC000135567307 1187036307 /nfs/dbraw/zinc/03/63/07/1187036307.db2.gz STGDYPNCSYBQET-QWHCGFSZSA-N 1 1 379.486 0.030 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000557415522 1187450689 /nfs/dbraw/zinc/45/06/89/1187450689.db2.gz SXNOJNQTQAWLOQ-KBPBESRZSA-N 1 1 395.529 0.688 10 0 GCAEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000407998685 1187971032 /nfs/dbraw/zinc/97/10/32/1187971032.db2.gz RYQJKMAMGFEPKS-GASCZTMLSA-N 1 1 381.498 0.872 10 0 GCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000407998685 1187971035 /nfs/dbraw/zinc/97/10/35/1187971035.db2.gz RYQJKMAMGFEPKS-GASCZTMLSA-N 1 1 381.498 0.872 10 0 GCAEMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000378439026 1189509104 /nfs/dbraw/zinc/50/91/04/1189509104.db2.gz ZBKMFCZBZXTLSX-UHFFFAOYSA-N 1 1 392.479 0.605 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[nH]n1 ZINC000584734414 1189644450 /nfs/dbraw/zinc/64/44/50/1189644450.db2.gz VKYHUHSICMCKFH-OAHLLOKOSA-N 1 1 391.516 0.917 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)NCc1nnc2ccccn21)[N@@H+]1CCc2ccccc2C1 ZINC000584767631 1189657009 /nfs/dbraw/zinc/65/70/09/1189657009.db2.gz DUIYPBYHRKZWFC-HNNXBMFYSA-N 1 1 392.463 0.909 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)NCc1nnc2ccccn21)[N@H+]1CCc2ccccc2C1 ZINC000584767631 1189657014 /nfs/dbraw/zinc/65/70/14/1189657014.db2.gz DUIYPBYHRKZWFC-HNNXBMFYSA-N 1 1 392.463 0.909 10 0 GCAEMO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cn1C ZINC000329573745 1189711979 /nfs/dbraw/zinc/71/19/79/1189711979.db2.gz NMQBFENJGFMOPK-ZFWWWQNUSA-N 1 1 383.518 0.292 10 0 GCAEMO c1cn(C[C@H]2CCN(CC3(C[N@@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144762 1189996674 /nfs/dbraw/zinc/99/66/74/1189996674.db2.gz FJWRTDJVMJLHCF-ROUUACIJSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@H]2CCN(CC3(C[N@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144762 1189996676 /nfs/dbraw/zinc/99/66/76/1189996676.db2.gz FJWRTDJVMJLHCF-ROUUACIJSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@@H]2CCN(CC3(C[N@@H+]4CC[C@@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144761 1189996750 /nfs/dbraw/zinc/99/67/50/1189996750.db2.gz FJWRTDJVMJLHCF-QZTJIDSGSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@@H]2CCN(CC3(C[N@H+]4CC[C@@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144761 1189996752 /nfs/dbraw/zinc/99/67/52/1189996752.db2.gz FJWRTDJVMJLHCF-QZTJIDSGSA-N 1 1 386.504 0.230 10 0 GCAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000473487714 1193796577 /nfs/dbraw/zinc/79/65/77/1193796577.db2.gz BNIDTIIAGWFQKC-MRXNPFEDSA-N 1 1 388.516 0.763 10 0 GCAEMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@H](C)O)cc1 ZINC000272528564 1194469991 /nfs/dbraw/zinc/46/99/91/1194469991.db2.gz WNZUMSNYOQSJCB-YOEHRIQHSA-N 1 1 381.498 0.329 10 0 GCAEMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@H](C)O)cc1 ZINC000272528560 1194470036 /nfs/dbraw/zinc/47/00/36/1194470036.db2.gz WNZUMSNYOQSJCB-WMLDXEAASA-N 1 1 381.498 0.329 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434730746 1194864879 /nfs/dbraw/zinc/86/48/79/1194864879.db2.gz SYEJHCSBQPGIOS-UHFFFAOYSA-N 1 1 391.472 0.771 10 0 GCAEMO C[C@H]1CCc2nc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)sc2C1 ZINC000434771902 1194869637 /nfs/dbraw/zinc/86/96/37/1194869637.db2.gz DRQIDQADRLEYLU-LBPRGKRZSA-N 1 1 393.513 0.487 10 0 GCAEMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000434799460 1194870349 /nfs/dbraw/zinc/87/03/49/1194870349.db2.gz SSXRQALSLGQLGJ-KSSFIOAISA-N 1 1 376.413 0.059 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@@H+]3C[C@H]1C)CC2 ZINC000514683498 1194892757 /nfs/dbraw/zinc/89/27/57/1194892757.db2.gz BYAHVVHWFKSUCA-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@H+]3C[C@H]1C)CC2 ZINC000514683498 1194892760 /nfs/dbraw/zinc/89/27/60/1194892760.db2.gz BYAHVVHWFKSUCA-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO Cc1nc2cncc(N3CCN(C(=O)NCC[N@@H+]4CC=C(C)CC4)CC3)n2n1 ZINC000435256907 1194910660 /nfs/dbraw/zinc/91/06/60/1194910660.db2.gz RFGGQEPEYGRUDU-UHFFFAOYSA-N 1 1 384.488 0.916 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000514879938 1194924473 /nfs/dbraw/zinc/92/44/73/1194924473.db2.gz HZBRFNXGOFDGEQ-UHFFFAOYSA-N 1 1 377.514 0.996 10 0 GCAEMO CC(=O)N1CCC[C@](O)(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000285440546 1194984416 /nfs/dbraw/zinc/98/44/16/1194984416.db2.gz IWJIDSDSLMFPLE-PZJWPPBQSA-N 1 1 389.496 0.633 10 0 GCAEMO C[C@@H](NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000516328670 1195043027 /nfs/dbraw/zinc/04/30/27/1195043027.db2.gz BRQYKMFIUGIAFL-OAHLLOKOSA-N 1 1 387.484 0.301 10 0 GCAEMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)COc2cnn(C)c2)cc[nH+]1 ZINC000505967621 1195067791 /nfs/dbraw/zinc/06/77/91/1195067791.db2.gz IDCDHWMTUKNHII-STQMWFEESA-N 1 1 377.424 0.388 10 0 GCAEMO Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000438023215 1195182150 /nfs/dbraw/zinc/18/21/50/1195182150.db2.gz JNUYDLAXAMXCKJ-UHFFFAOYSA-N 1 1 386.456 0.457 10 0 GCAEMO COc1cc(C(=O)NCCNc2cc[nH+]cc2)cc(NS(C)(=O)=O)c1OC ZINC000439039276 1195279348 /nfs/dbraw/zinc/27/93/48/1195279348.db2.gz BSHYQKUUVKWGKN-UHFFFAOYSA-N 1 1 394.453 0.734 10 0 GCAEMO CCOC[C@@H](O)C[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506595289 1195325986 /nfs/dbraw/zinc/32/59/86/1195325986.db2.gz QERNPPHKOHIZEZ-IRXDYDNUSA-N 1 1 379.505 0.239 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)CN1CC[N@H+](CCO)[C@H](C)C1)c1ccc(F)cc1 ZINC000187705014 1195420775 /nfs/dbraw/zinc/42/07/75/1195420775.db2.gz RGTFVFQLIDNISY-CABCVRRESA-N 1 1 380.464 0.118 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)c1ccc(F)cc1 ZINC000187705014 1195420781 /nfs/dbraw/zinc/42/07/81/1195420781.db2.gz RGTFVFQLIDNISY-CABCVRRESA-N 1 1 380.464 0.118 10 0 GCAEMO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000187707285 1195421260 /nfs/dbraw/zinc/42/12/60/1195421260.db2.gz GOLVEBZMCZXSOZ-GFCCVEGCSA-N 1 1 377.424 0.047 10 0 GCAEMO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000187707285 1195421262 /nfs/dbraw/zinc/42/12/62/1195421262.db2.gz GOLVEBZMCZXSOZ-GFCCVEGCSA-N 1 1 377.424 0.047 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050110 1195424924 /nfs/dbraw/zinc/42/49/24/1195424924.db2.gz TYUQHHYWVFGPKY-HZPDHXFCSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050110 1195424926 /nfs/dbraw/zinc/42/49/26/1195424926.db2.gz TYUQHHYWVFGPKY-HZPDHXFCSA-N 1 1 392.504 0.506 10 0 GCAEMO CC(=O)N1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550115992 1195440912 /nfs/dbraw/zinc/44/09/12/1195440912.db2.gz PEIJPWRLJMKKLW-IBGZPJMESA-N 1 1 386.496 0.846 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504767 1195459886 /nfs/dbraw/zinc/45/98/86/1195459886.db2.gz BOIZJJBZOLPFSH-HLLBOEOZSA-N 1 1 378.521 0.656 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504767 1195459888 /nfs/dbraw/zinc/45/98/88/1195459888.db2.gz BOIZJJBZOLPFSH-HLLBOEOZSA-N 1 1 378.521 0.656 10 0 GCAEMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000507379092 1195513891 /nfs/dbraw/zinc/51/38/91/1195513891.db2.gz MFRSALRPQXRUEH-KRWDZBQOSA-N 1 1 379.549 0.962 10 0 GCAEMO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000519690045 1195565130 /nfs/dbraw/zinc/56/51/30/1195565130.db2.gz DPBXFXCZLVSYNU-SJLPKXTDSA-N 1 1 389.500 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)n[nH]1 ZINC000440751537 1195580506 /nfs/dbraw/zinc/58/05/06/1195580506.db2.gz HCUDCZBWJQWMCV-UHFFFAOYSA-N 1 1 385.472 0.458 10 0 GCAEMO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+](C)CCCO)CC2)cc1OC ZINC000440935595 1195590081 /nfs/dbraw/zinc/59/00/81/1195590081.db2.gz AYQHXLALQQMGJT-UHFFFAOYSA-N 1 1 379.501 0.971 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000441011203 1195596803 /nfs/dbraw/zinc/59/68/03/1195596803.db2.gz OLUHEJIUYPOZMP-SWLSCSKDSA-N 1 1 382.486 0.332 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000441674959 1195815146 /nfs/dbraw/zinc/81/51/46/1195815146.db2.gz NRKYIGZZXPUFEN-UHFFFAOYSA-N 1 1 388.468 0.666 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000441674959 1195815150 /nfs/dbraw/zinc/81/51/50/1195815150.db2.gz NRKYIGZZXPUFEN-UHFFFAOYSA-N 1 1 388.468 0.666 10 0 GCAEMO NC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491467 1195839139 /nfs/dbraw/zinc/83/91/39/1195839139.db2.gz LOZFMTJYBAMSSU-KRWDZBQOSA-N 1 1 387.484 0.008 10 0 GCAEMO NC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491467 1195839143 /nfs/dbraw/zinc/83/91/43/1195839143.db2.gz LOZFMTJYBAMSSU-KRWDZBQOSA-N 1 1 387.484 0.008 10 0 GCAEMO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441914630 1195931435 /nfs/dbraw/zinc/93/14/35/1195931435.db2.gz AMIDXDVYJFPMAE-MRXNPFEDSA-N 1 1 390.433 0.726 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000442306445 1195975639 /nfs/dbraw/zinc/97/56/39/1195975639.db2.gz LBLLLGVFFCCPKO-AAEUAGOBSA-N 1 1 380.470 0.275 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000442350579 1195978136 /nfs/dbraw/zinc/97/81/36/1195978136.db2.gz ZHEPEUICXQRBCQ-GFCCVEGCSA-N 1 1 380.470 0.300 10 0 GCAEMO CC(C)COCCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000521574660 1196004454 /nfs/dbraw/zinc/00/44/54/1196004454.db2.gz HGTDAFMNWJPEHX-UHFFFAOYSA-N 1 1 382.549 0.746 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000443360000 1196042349 /nfs/dbraw/zinc/04/23/49/1196042349.db2.gz KUCFNRUBSCOMRF-ZFWWWQNUSA-N 1 1 396.513 0.864 10 0 GCAEMO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc1F ZINC000550484433 1196053753 /nfs/dbraw/zinc/05/37/53/1196053753.db2.gz GJJDWIIRLPRYRT-ZDUSSCGKSA-N 1 1 381.448 0.927 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000550576556 1196092054 /nfs/dbraw/zinc/09/20/54/1196092054.db2.gz HWRUXESCGRPIEL-KKUMJFAQSA-N 1 1 382.505 0.070 10 0 GCAEMO CCOCc1nc([C@H](C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000460329312 1196125371 /nfs/dbraw/zinc/12/53/71/1196125371.db2.gz RXNPHLVTDSFTBS-STQMWFEESA-N 1 1 382.465 0.554 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000519680202 1196137245 /nfs/dbraw/zinc/13/72/45/1196137245.db2.gz LFJRJBFWLFQKSC-SIFCLUCFSA-N 1 1 391.468 0.196 10 0 GCAEMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000329215787 1196177006 /nfs/dbraw/zinc/17/70/06/1196177006.db2.gz NHVKXFNWHAUTKG-UHFFFAOYSA-N 1 1 375.473 0.566 10 0 GCAEMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000329407772 1196192785 /nfs/dbraw/zinc/19/27/85/1196192785.db2.gz BEJGXOGYBJIMAZ-BEFAXECRSA-N 1 1 378.473 0.625 10 0 GCAEMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000329414226 1196193551 /nfs/dbraw/zinc/19/35/51/1196193551.db2.gz YTIFNBMTEPLTMJ-KRWDZBQOSA-N 1 1 396.513 0.846 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cccn1 ZINC000329437961 1196195465 /nfs/dbraw/zinc/19/54/65/1196195465.db2.gz JNVUSTWHNYEMTD-IAGOWNOFSA-N 1 1 377.489 0.616 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1C ZINC000329446407 1196197000 /nfs/dbraw/zinc/19/70/00/1196197000.db2.gz BOIZJJBZOLPFSH-BFYDXBDKSA-N 1 1 378.521 0.656 10 0 GCAEMO Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000508458819 1196305714 /nfs/dbraw/zinc/30/57/14/1196305714.db2.gz XKHISGYHHXQSHL-CYBMUJFWSA-N 1 1 391.501 0.296 10 0 GCAEMO Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000508458819 1196305718 /nfs/dbraw/zinc/30/57/18/1196305718.db2.gz XKHISGYHHXQSHL-CYBMUJFWSA-N 1 1 391.501 0.296 10 0 GCAEMO O=C(CC1(n2cnnn2)CCOCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000665775186 1196464053 /nfs/dbraw/zinc/46/40/53/1196464053.db2.gz GVQWNKWLYFMKEL-UHFFFAOYSA-N 1 1 384.484 0.956 10 0 GCAEMO C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000043818816 1196492573 /nfs/dbraw/zinc/49/25/73/1196492573.db2.gz XVZKEKFWBPQWDW-OAHLLOKOSA-N 1 1 385.472 0.792 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000546571540 1196558361 /nfs/dbraw/zinc/55/83/61/1196558361.db2.gz OMYXOLCHYQVAIS-UHFFFAOYSA-N 1 1 377.466 0.723 10 0 GCAEMO CN(C(=O)CN1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000524156445 1196580039 /nfs/dbraw/zinc/58/00/39/1196580039.db2.gz QACDSMBKAVYNHH-VQTJNVASSA-N 1 1 397.560 0.952 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)[C@@]34CCC(=O)N3CCS4)CC2)cc[nH+]1 ZINC000524771624 1196622975 /nfs/dbraw/zinc/62/29/75/1196622975.db2.gz YOCKCSAUFDMBDT-KRWDZBQOSA-N 1 1 376.486 0.257 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)cc[nH+]1 ZINC000524970010 1196641604 /nfs/dbraw/zinc/64/16/04/1196641604.db2.gz CFNOSXUWWDPIDS-UHFFFAOYSA-N 1 1 396.499 0.898 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119421547 1196892580 /nfs/dbraw/zinc/89/25/80/1196892580.db2.gz OPLVGDQZAVWWAN-KRWDZBQOSA-N 1 1 377.533 0.953 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119421416 1196892665 /nfs/dbraw/zinc/89/26/65/1196892665.db2.gz OPLVGDQZAVWWAN-QGZVFWFLSA-N 1 1 377.533 0.953 10 0 GCAEMO C1=C(CNc2nc(N3CCOCC3)nc(NCC3=CCOCC3)[nH+]2)CCOC1 ZINC000450617591 1196945305 /nfs/dbraw/zinc/94/53/05/1196945305.db2.gz CUIPUJUWHLCDIV-UHFFFAOYSA-N 1 1 388.472 0.069 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451125757 1196973383 /nfs/dbraw/zinc/97/33/83/1196973383.db2.gz ODMRSOOWPJVROQ-OAHLLOKOSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC12COC2 ZINC000451125064 1196973391 /nfs/dbraw/zinc/97/33/91/1196973391.db2.gz KFNBINYXJJUBEJ-GJZGRUSLSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC12COC2 ZINC000451125064 1196973393 /nfs/dbraw/zinc/97/33/93/1196973393.db2.gz KFNBINYXJJUBEJ-GJZGRUSLSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC12COC2 ZINC000451125065 1196973585 /nfs/dbraw/zinc/97/35/85/1196973585.db2.gz KFNBINYXJJUBEJ-HUUCEWRRSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC12COC2 ZINC000451125065 1196973586 /nfs/dbraw/zinc/97/35/86/1196973586.db2.gz KFNBINYXJJUBEJ-HUUCEWRRSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451136345 1196974657 /nfs/dbraw/zinc/97/46/57/1196974657.db2.gz NKSWYXQMDSXJED-OAHLLOKOSA-N 1 1 375.425 0.626 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2c(OC)cccc2OC)CC12COC2 ZINC000451133991 1196974879 /nfs/dbraw/zinc/97/48/79/1196974879.db2.gz KHRXISQJZKLVSO-CABCVRRESA-N 1 1 395.452 0.955 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268689 1197049505 /nfs/dbraw/zinc/04/95/05/1197049505.db2.gz XFJQPKLILZJXNT-ROUUACIJSA-N 1 1 388.464 0.926 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268689 1197049508 /nfs/dbraw/zinc/04/95/08/1197049508.db2.gz XFJQPKLILZJXNT-ROUUACIJSA-N 1 1 388.464 0.926 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000452389186 1197060362 /nfs/dbraw/zinc/06/03/62/1197060362.db2.gz LJZRVPCGAKTDQV-INIZCTEOSA-N 1 1 397.497 0.131 10 0 GCAEMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000123114117 1197080109 /nfs/dbraw/zinc/08/01/09/1197080109.db2.gz ARYPCIYWGYETDM-UHFFFAOYSA-N 1 1 380.464 0.417 10 0 GCAEMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000123114117 1197080111 /nfs/dbraw/zinc/08/01/11/1197080111.db2.gz ARYPCIYWGYETDM-UHFFFAOYSA-N 1 1 380.464 0.417 10 0 GCAEMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000123119798 1197080630 /nfs/dbraw/zinc/08/06/30/1197080630.db2.gz SEWXDFWIGHPDRF-UHFFFAOYSA-N 1 1 396.919 0.931 10 0 GCAEMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000123119798 1197080635 /nfs/dbraw/zinc/08/06/35/1197080635.db2.gz SEWXDFWIGHPDRF-UHFFFAOYSA-N 1 1 396.919 0.931 10 0 GCAEMO Cc1nc(C[NH+]2CCC(CNC(=O)N(C)Cc3nnnn3C)CC2)oc1C ZINC000531804056 1197098384 /nfs/dbraw/zinc/09/83/84/1197098384.db2.gz YOUMFRYXUFCKKC-UHFFFAOYSA-N 1 1 376.465 0.869 10 0 GCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000531804069 1197098475 /nfs/dbraw/zinc/09/84/75/1197098475.db2.gz DFUVFIACDVMEJU-QAPCUYQASA-N 1 1 377.533 0.713 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC000453766550 1197129334 /nfs/dbraw/zinc/12/93/34/1197129334.db2.gz GMRRSMKCGLVRLD-ZDUSSCGKSA-N 1 1 394.497 0.476 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC12COC2 ZINC000453807424 1197139693 /nfs/dbraw/zinc/13/96/93/1197139693.db2.gz ULLPOHWHCVPBFV-INIZCTEOSA-N 1 1 387.436 0.609 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC12COC2 ZINC000453807424 1197139697 /nfs/dbraw/zinc/13/96/97/1197139697.db2.gz ULLPOHWHCVPBFV-INIZCTEOSA-N 1 1 387.436 0.609 10 0 GCAEMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(=O)n(C)c1=O ZINC000172043968 1197159775 /nfs/dbraw/zinc/15/97/75/1197159775.db2.gz OUGKOIKDOYIKBE-OCZCAGDBSA-N 1 1 378.473 0.061 10 0 GCAEMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(=O)n(C)c1=O ZINC000172043968 1197159779 /nfs/dbraw/zinc/15/97/79/1197159779.db2.gz OUGKOIKDOYIKBE-OCZCAGDBSA-N 1 1 378.473 0.061 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063475 1197189364 /nfs/dbraw/zinc/18/93/64/1197189364.db2.gz PPHMGCGKIXOFEO-AWEZNQCLSA-N 1 1 393.454 0.867 10 0 GCAEMO C[C@H](CN1CCCC1=O)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179137816 1197197184 /nfs/dbraw/zinc/19/71/84/1197197184.db2.gz BJLMURDUGRKFDY-HRBLRVMOSA-N 1 1 377.533 0.950 10 0 GCAEMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179895127 1197199633 /nfs/dbraw/zinc/19/96/33/1197199633.db2.gz QNZXKZUPLXYCPS-KRWDZBQOSA-N 1 1 391.516 0.636 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000180864684 1197202123 /nfs/dbraw/zinc/20/21/23/1197202123.db2.gz YZNUJSGPIQTVMS-ZDUSSCGKSA-N 1 1 379.490 0.504 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000180864684 1197202128 /nfs/dbraw/zinc/20/21/28/1197202128.db2.gz YZNUJSGPIQTVMS-ZDUSSCGKSA-N 1 1 379.490 0.504 10 0 GCAEMO COC(=O)CC[N@@H+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)[C@H](C)C1 ZINC000180841131 1197202230 /nfs/dbraw/zinc/20/22/30/1197202230.db2.gz VAMKVXHCVSRFOM-MRXNPFEDSA-N 1 1 391.516 0.728 10 0 GCAEMO COC(=O)CC[N@H+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)[C@H](C)C1 ZINC000180841131 1197202233 /nfs/dbraw/zinc/20/22/33/1197202233.db2.gz VAMKVXHCVSRFOM-MRXNPFEDSA-N 1 1 391.516 0.728 10 0 GCAEMO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000183106164 1197207868 /nfs/dbraw/zinc/20/78/68/1197207868.db2.gz HKRVJHQPLCSREQ-SFHVURJKSA-N 1 1 380.533 0.940 10 0 GCAEMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000186149237 1197226758 /nfs/dbraw/zinc/22/67/58/1197226758.db2.gz DZRCMJYKIBEWCS-WMZOPIPTSA-N 1 1 388.516 0.902 10 0 GCAEMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1cccnc1 ZINC000188124447 1197232692 /nfs/dbraw/zinc/23/26/92/1197232692.db2.gz BRYKAJORZRSNNF-NRFANRHFSA-N 1 1 382.464 0.907 10 0 GCAEMO C[C@@H]1CN(C(=O)C2CCN(Cc3nccn3C)CC2)CC[N@H+]1CC(C)(C)O ZINC000188714618 1197233112 /nfs/dbraw/zinc/23/31/12/1197233112.db2.gz JHRAQFQMXAFCGM-MRXNPFEDSA-N 1 1 377.533 0.936 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000189923603 1197239247 /nfs/dbraw/zinc/23/92/47/1197239247.db2.gz RQLYAONEXSFABV-ZWKOTPCHSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000189923603 1197239248 /nfs/dbraw/zinc/23/92/48/1197239248.db2.gz RQLYAONEXSFABV-ZWKOTPCHSA-N 1 1 384.565 0.236 10 0 GCAEMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000454011355 1197301560 /nfs/dbraw/zinc/30/15/60/1197301560.db2.gz HQMUMSFTQYFUOX-ZDUSSCGKSA-N 1 1 382.486 0.476 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nnc(-c3cccc(F)c3)n2)C1 ZINC000019064538 1197316440 /nfs/dbraw/zinc/31/64/40/1197316440.db2.gz JPQUYQAUKZEGRN-MRXNPFEDSA-N 1 1 376.436 0.952 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(=O)NC2CCCCC2)CC1=O ZINC000112885276 1197335225 /nfs/dbraw/zinc/33/52/25/1197335225.db2.gz PSSBCZMXGLSSBC-NVXWUHKLSA-N 1 1 378.517 0.884 10 0 GCAEMO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114721743 1197336784 /nfs/dbraw/zinc/33/67/84/1197336784.db2.gz FJZJMDVWENLGFJ-AEFFLSMTSA-N 1 1 380.533 0.546 10 0 GCAEMO C[NH+]1CCC(CNC(=O)c2ccnc3c(C(N)=O)cnn32)(N2CCCCC2)CC1 ZINC000121036568 1197342528 /nfs/dbraw/zinc/34/25/28/1197342528.db2.gz HKAUTGSBKKAGTH-UHFFFAOYSA-N 1 1 399.499 0.508 10 0 GCAEMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000127248490 1197360276 /nfs/dbraw/zinc/36/02/76/1197360276.db2.gz XAJODWQUHLQZKY-WRURNZQNSA-N 1 1 392.592 0.575 10 0 GCAEMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127248490 1197360279 /nfs/dbraw/zinc/36/02/79/1197360279.db2.gz XAJODWQUHLQZKY-WRURNZQNSA-N 1 1 392.592 0.575 10 0 GCAEMO C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000127248294 1197360361 /nfs/dbraw/zinc/36/03/61/1197360361.db2.gz XAJODWQUHLQZKY-GURQWTFNSA-N 1 1 392.592 0.575 10 0 GCAEMO C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127248294 1197360365 /nfs/dbraw/zinc/36/03/65/1197360365.db2.gz XAJODWQUHLQZKY-GURQWTFNSA-N 1 1 392.592 0.575 10 0 GCAEMO C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCOCC1 ZINC000127215608 1197360393 /nfs/dbraw/zinc/36/03/93/1197360393.db2.gz BXFAACJDHOHEJC-WRURNZQNSA-N 1 1 393.576 0.907 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1S(N)(=O)=O ZINC000532688491 1197384617 /nfs/dbraw/zinc/38/46/17/1197384617.db2.gz YGGOOTNIKZWOPC-UKRRQHHQSA-N 1 1 399.488 0.967 10 0 GCAEMO Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136998983 1197391434 /nfs/dbraw/zinc/39/14/34/1197391434.db2.gz RHDZEJKREULYAZ-KRWDZBQOSA-N 1 1 376.505 0.527 10 0 GCAEMO COC(=O)CCCc1nc(CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)no1 ZINC000532732864 1197405052 /nfs/dbraw/zinc/40/50/52/1197405052.db2.gz XSKWLGVDCSRZFK-UHFFFAOYSA-N 1 1 389.460 0.744 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000245708218 1197422125 /nfs/dbraw/zinc/42/21/25/1197422125.db2.gz YLVRXCRQPBGWKC-ZACQAIPSSA-N 1 1 379.505 0.986 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000533092654 1197432825 /nfs/dbraw/zinc/43/28/25/1197432825.db2.gz BANNMIYLNDJXNM-NUJGCVRESA-N 1 1 383.514 0.567 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000533092653 1197432845 /nfs/dbraw/zinc/43/28/45/1197432845.db2.gz BANNMIYLNDJXNM-JZXOWHBKSA-N 1 1 383.514 0.567 10 0 GCAEMO CCOC(=O)CCCNC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533393626 1197449655 /nfs/dbraw/zinc/44/96/55/1197449655.db2.gz IDZSWEOJQRZQBP-UHFFFAOYSA-N 1 1 378.477 0.124 10 0 GCAEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)CC2 ZINC000246189584 1197453500 /nfs/dbraw/zinc/45/35/00/1197453500.db2.gz ONAQVFQYSZZHQK-ZNMIVQPWSA-N 1 1 383.518 0.561 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3nc4ncccn4n3)CC2)CC1 ZINC000066858148 1197467290 /nfs/dbraw/zinc/46/72/90/1197467290.db2.gz SKKXWLUZLKCEGY-UHFFFAOYSA-N 1 1 385.472 0.070 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000066932128 1197467533 /nfs/dbraw/zinc/46/75/33/1197467533.db2.gz RLZMAKHWIAGYIE-UHFFFAOYSA-N 1 1 386.496 0.819 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3cccnn3)CC2)CC1=O ZINC000246508902 1197472038 /nfs/dbraw/zinc/47/20/38/1197472038.db2.gz UMRDERVEGKZCHA-DLBZAZTESA-N 1 1 386.500 0.458 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000246866006 1197474408 /nfs/dbraw/zinc/47/44/08/1197474408.db2.gz AEJWCMRHJSKQHF-UYAOXDASSA-N 1 1 388.512 0.633 10 0 GCAEMO Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n1 ZINC000247456043 1197476299 /nfs/dbraw/zinc/47/62/99/1197476299.db2.gz HVUAXXSKMPJOMJ-HZPDHXFCSA-N 1 1 375.473 0.486 10 0 GCAEMO Cc1cc(NC(=O)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000076561256 1197481862 /nfs/dbraw/zinc/48/18/62/1197481862.db2.gz CCQQORFEQBLCHS-UHFFFAOYSA-N 1 1 376.505 0.734 10 0 GCAEMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1CCS(=O)(=O)CC1 ZINC000161930956 1197501084 /nfs/dbraw/zinc/50/10/84/1197501084.db2.gz JNMMDPVGHXISQX-UHFFFAOYSA-N 1 1 379.526 0.745 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000261675720 1197510994 /nfs/dbraw/zinc/51/09/94/1197510994.db2.gz BOAWFGRQSYPUMT-SFHVURJKSA-N 1 1 398.463 0.896 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261889352 1197517471 /nfs/dbraw/zinc/51/74/71/1197517471.db2.gz QHZCXNQNIBVXQQ-HKUYNNGSSA-N 1 1 388.512 0.892 10 0 GCAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000162284200 1197518975 /nfs/dbraw/zinc/51/89/75/1197518975.db2.gz NPDZPCMNRSVIEV-FQEVSTJZSA-N 1 1 399.539 0.404 10 0 GCAEMO COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262006098 1197522202 /nfs/dbraw/zinc/52/22/02/1197522202.db2.gz GVUHAZQDYAFASD-OAHLLOKOSA-N 1 1 381.498 0.897 10 0 GCAEMO C[NH2+][C@H](C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnn(C)c1 ZINC000262002589 1197522297 /nfs/dbraw/zinc/52/22/97/1197522297.db2.gz BDYQTYFRLWLTLI-HNNXBMFYSA-N 1 1 381.433 0.998 10 0 GCAEMO Cc1cc(C)c(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(=O)[nH]1 ZINC000268928608 1199095301 /nfs/dbraw/zinc/09/53/01/1199095301.db2.gz XNNZABUVGPIHOB-MRXNPFEDSA-N 1 1 375.473 0.852 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000672307073 1199200670 /nfs/dbraw/zinc/20/06/70/1199200670.db2.gz KDKUVSPWSSEVSG-PKOBYXMFSA-N 1 1 387.480 0.893 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@@H+]3C[C@H]1C)CC2 ZINC000672418497 1199232202 /nfs/dbraw/zinc/23/22/02/1199232202.db2.gz LVLQTYBYIVHRRT-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@H+]3C[C@H]1C)CC2 ZINC000672418497 1199232206 /nfs/dbraw/zinc/23/22/06/1199232206.db2.gz LVLQTYBYIVHRRT-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000672419526 1199232929 /nfs/dbraw/zinc/23/29/29/1199232929.db2.gz SLFRHAPLMHTPCE-XHSDSOJGSA-N 1 1 388.516 0.775 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000672597903 1199280360 /nfs/dbraw/zinc/28/03/60/1199280360.db2.gz GFLZDELBUXYRHM-KGLIPLIRSA-N 1 1 390.450 0.930 10 0 GCAEMO CN1C[C@@H](NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC1=O ZINC000672626758 1199283547 /nfs/dbraw/zinc/28/35/47/1199283547.db2.gz MWRBQSCYWCKQND-KRWDZBQOSA-N 1 1 378.517 0.838 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CC[C@H](CC(N)=O)C2)c2cccs2)CC1 ZINC000672682048 1199314256 /nfs/dbraw/zinc/31/42/56/1199314256.db2.gz BNJKGXVKHXFRGX-CABCVRRESA-N 1 1 379.530 0.944 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[nH]n1 ZINC000672748239 1199325278 /nfs/dbraw/zinc/32/52/78/1199325278.db2.gz RQEWZAXYCJUUQV-RHSMWYFYSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n[nH]1 ZINC000672748239 1199325284 /nfs/dbraw/zinc/32/52/84/1199325284.db2.gz RQEWZAXYCJUUQV-RHSMWYFYSA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n[nH]1 ZINC000672748239 1199325290 /nfs/dbraw/zinc/32/52/90/1199325290.db2.gz RQEWZAXYCJUUQV-RHSMWYFYSA-N 1 1 376.505 0.004 10 0 GCAEMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000672855447 1199353960 /nfs/dbraw/zinc/35/39/60/1199353960.db2.gz YMVRMIIATOOLCC-XLIONFOSSA-N 1 1 379.501 0.918 10 0 GCAEMO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)cn1 ZINC000672890283 1199362255 /nfs/dbraw/zinc/36/22/55/1199362255.db2.gz KNHRNTLYWWXJRH-SOLBZPMBSA-N 1 1 388.516 0.448 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1N1CCOCC1 ZINC000673123211 1199430769 /nfs/dbraw/zinc/43/07/69/1199430769.db2.gz QWLILPRQEVTPOM-QCLGFWRNSA-N 1 1 378.517 0.297 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NCCN3C(=O)CCC3=O)cc2F)CC1 ZINC000079103275 1199477205 /nfs/dbraw/zinc/47/72/05/1199477205.db2.gz YHIBUALJUUVOFH-UHFFFAOYSA-N 1 1 376.432 0.846 10 0 GCAEMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000116994693 1199654750 /nfs/dbraw/zinc/65/47/50/1199654750.db2.gz PWSZAYSJPDEEHD-WMZOPIPTSA-N 1 1 394.541 0.515 10 0 GCAEMO C/C(=C/C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)CN1CCOCC1 ZINC000922337213 1199726807 /nfs/dbraw/zinc/72/68/07/1199726807.db2.gz AQJFYYBCTBQCNM-VZWFDDOASA-N 1 1 380.533 0.178 10 0 GCAEMO COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118124068 1199744762 /nfs/dbraw/zinc/74/47/62/1199744762.db2.gz MQQSYUVJOAJGNY-GOSISDBHSA-N 1 1 376.501 0.956 10 0 GCAEMO Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)CC2=O)cc1 ZINC000186635811 1199901588 /nfs/dbraw/zinc/90/15/88/1199901588.db2.gz DVSINOREQBWVMU-SJLPKXTDSA-N 1 1 384.480 0.771 10 0 GCAEMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CCN(C3CCOCC3)C1=O)n2C ZINC000673848178 1199959980 /nfs/dbraw/zinc/95/99/80/1199959980.db2.gz QUIZTCWXCLTVMC-AWEZNQCLSA-N 1 1 386.456 0.544 10 0 GCAEMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000674277135 1200210499 /nfs/dbraw/zinc/21/04/99/1200210499.db2.gz TWFTWLYKXQCYHP-IYWMVGAKSA-N 1 1 397.560 0.665 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000376966707 1200227140 /nfs/dbraw/zinc/22/71/40/1200227140.db2.gz HLRLNKUHIDVEHR-NXEZDXNNSA-N 1 1 380.489 0.258 10 0 GCAEMO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1S(N)(=O)=O ZINC000172641082 1200288023 /nfs/dbraw/zinc/28/80/23/1200288023.db2.gz JGGYENPGAAJDDA-KRWDZBQOSA-N 1 1 394.541 0.885 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000670527218 1200406035 /nfs/dbraw/zinc/40/60/35/1200406035.db2.gz SWMLCTAEXJIMOH-ZWKOTPCHSA-N 1 1 392.544 0.833 10 0 GCAEMO C[C@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676249540 1200524042 /nfs/dbraw/zinc/52/40/42/1200524042.db2.gz GUXGFKNNWOUNSD-AAEUAGOBSA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676249540 1200524048 /nfs/dbraw/zinc/52/40/48/1200524048.db2.gz GUXGFKNNWOUNSD-AAEUAGOBSA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676332365 1200547465 /nfs/dbraw/zinc/54/74/65/1200547465.db2.gz LVDYVMKTZZLRJT-CRAIPNDOSA-N 1 1 395.525 0.923 10 0 GCAEMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676332365 1200547475 /nfs/dbraw/zinc/54/74/75/1200547475.db2.gz LVDYVMKTZZLRJT-CRAIPNDOSA-N 1 1 395.525 0.923 10 0 GCAEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000436820801 1200695844 /nfs/dbraw/zinc/69/58/44/1200695844.db2.gz SGLBEBMCSZOVGR-ZDUSSCGKSA-N 1 1 378.477 0.683 10 0 GCAEMO C[C@@H](c1ccc(NC(=O)C(=O)N(C)Cc2nnnn2C)cc1)[NH+]1CCOCC1 ZINC000466712929 1200963548 /nfs/dbraw/zinc/96/35/48/1200963548.db2.gz JQMGJFQITUTXSP-ZDUSSCGKSA-N 1 1 387.444 0.200 10 0 GCAEMO Cc1cn2cc(C(=O)N3CC[C@@H]([N@H+](C)Cc4cc(=O)[nH]c(N)n4)C3)sc2n1 ZINC000548680009 1201150080 /nfs/dbraw/zinc/15/00/80/1201150080.db2.gz AKLOFNHRMFRIHP-GFCCVEGCSA-N 1 1 387.469 1.129 10 0 GCAEMO Cc1cn2cc(C(=O)N3CC[C@@H]([N@@H+](C)Cc4cc(=O)[nH]c(N)n4)C3)sc2n1 ZINC000548680009 1201150085 /nfs/dbraw/zinc/15/00/85/1201150085.db2.gz AKLOFNHRMFRIHP-GFCCVEGCSA-N 1 1 387.469 1.129 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)N2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611265804 1201226986 /nfs/dbraw/zinc/22/69/86/1201226986.db2.gz GUVSBMJUHFCLPT-HXUWFJFHSA-N 1 1 375.469 0.643 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)N2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611265804 1201226991 /nfs/dbraw/zinc/22/69/91/1201226991.db2.gz GUVSBMJUHFCLPT-HXUWFJFHSA-N 1 1 375.469 0.643 10 0 GCAEMO CC[S@@](=O)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000735109162 1201678698 /nfs/dbraw/zinc/67/86/98/1201678698.db2.gz GUFMATCPPIFYQR-CBZJRKILSA-N 1 1 394.541 0.952 10 0 GCAEMO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)c1 ZINC000828636789 1201718150 /nfs/dbraw/zinc/71/81/50/1201718150.db2.gz SSPJGEFJBUYECC-LPHOPBHVSA-N 1 1 395.525 0.591 10 0 GCAEMO CN(C(=O)CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1)C1CCCCC1 ZINC000828637047 1201718651 /nfs/dbraw/zinc/71/86/51/1201718651.db2.gz UUGHJQLFXVVKHE-YLJYHZDGSA-N 1 1 380.533 0.377 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)C1 ZINC000194647003 1201912336 /nfs/dbraw/zinc/91/23/36/1201912336.db2.gz PBSKAZOHVYKBGY-HNNXBMFYSA-N 1 1 377.489 0.448 10 0 GCAEMO COC(=O)[C@@]1(NC(=O)C(=O)NCC(F)F)CCC[N@H+](Cc2ccccc2)C1 ZINC000768029042 1201998256 /nfs/dbraw/zinc/99/82/56/1201998256.db2.gz SIBLBUCAURVJMN-GOSISDBHSA-N 1 1 383.395 0.692 10 0 GCAEMO COC(=O)[C@@]1(NC(=O)C(=O)NCC(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000768029042 1201998257 /nfs/dbraw/zinc/99/82/57/1201998257.db2.gz SIBLBUCAURVJMN-GOSISDBHSA-N 1 1 383.395 0.692 10 0 GCAEMO CN1CCN(c2ccccc2NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000768736361 1202031534 /nfs/dbraw/zinc/03/15/34/1202031534.db2.gz PQTHIIXOGAMJAL-UHFFFAOYSA-N 1 1 399.499 0.774 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000771293337 1202133315 /nfs/dbraw/zinc/13/33/15/1202133315.db2.gz LBFKGXWJDDXLLN-VBKZILBWSA-N 1 1 388.468 0.839 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000793878267 1205507863 /nfs/dbraw/zinc/50/78/63/1205507863.db2.gz JUMQHRXRVFEOPT-RTBURBONSA-N 1 1 386.496 0.751 10 0 GCAEMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)C1 ZINC000804899779 1205527762 /nfs/dbraw/zinc/52/77/62/1205527762.db2.gz IQHIDUKTQQVJNN-KBPBESRZSA-N 1 1 378.477 0.142 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000805606742 1205540319 /nfs/dbraw/zinc/54/03/19/1205540319.db2.gz MFBWRPAYFNLNMC-QMTYFTJSSA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805606742 1205540321 /nfs/dbraw/zinc/54/03/21/1205540321.db2.gz MFBWRPAYFNLNMC-QMTYFTJSSA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000805606416 1205540435 /nfs/dbraw/zinc/54/04/35/1205540435.db2.gz ILDJUUXCZWSIEJ-BCHFMIIMSA-N 1 1 379.526 0.900 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000747378915 1205577454 /nfs/dbraw/zinc/57/74/54/1205577454.db2.gz DAYFDBAIKATAKW-QGZVFWFLSA-N 1 1 390.509 0.863 10 0 GCAEMO CC(C)N(CCCNC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)S(C)(=O)=O ZINC000123521733 530179202 /nfs/dbraw/zinc/17/92/02/530179202.db2.gz ZXBMBOOIFNNOEA-JKSUJKDBSA-N 1 1 376.567 0.577 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000127282871 530281651 /nfs/dbraw/zinc/28/16/51/530281651.db2.gz NZTATPJVQNRLKV-ZYHUDNBSSA-N 1 1 387.278 0.488 10 0 GCAEMO COCC[N@H+]1CCCN(C(=O)c2cnn(C)c2I)CC1 ZINC000294361114 530303661 /nfs/dbraw/zinc/30/36/61/530303661.db2.gz ZUVLOWCEHCRYGR-UHFFFAOYSA-N 1 1 392.241 0.819 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000587124515 530310294 /nfs/dbraw/zinc/31/02/94/530310294.db2.gz QQFWHGFXNAANIW-HNNXBMFYSA-N 1 1 376.523 0.068 10 0 GCAEMO C[C@@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000172057337 530350795 /nfs/dbraw/zinc/35/07/95/530350795.db2.gz AOFNTJSDLQWVDO-JSGCOSHPSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000172057337 530350797 /nfs/dbraw/zinc/35/07/97/530350797.db2.gz AOFNTJSDLQWVDO-JSGCOSHPSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000173863576 530353050 /nfs/dbraw/zinc/35/30/50/530353050.db2.gz UYAZHCSSKPTZOF-GXTWGEPZSA-N 1 1 384.274 0.790 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)[C@@H]2C1 ZINC000284975362 530388517 /nfs/dbraw/zinc/38/85/17/530388517.db2.gz LVOFCCXCUNUGGP-NXEZZACHSA-N 1 1 379.891 0.594 10 0 GCAEMO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000408127218 530408738 /nfs/dbraw/zinc/40/87/38/530408738.db2.gz BVGQZJIVSUMEBZ-GFCCVEGCSA-N 1 1 377.463 0.666 10 0 GCAEMO CCC(CC)[C@H](C(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000607898155 530465120 /nfs/dbraw/zinc/46/51/20/530465120.db2.gz UMTPKUHYGLQNRE-MRXNPFEDSA-N 1 1 375.535 0.665 10 0 GCAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000328835394 530518261 /nfs/dbraw/zinc/51/82/61/530518261.db2.gz XBXHJIYKQWUJJQ-CQSZACIVSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000328835394 530518263 /nfs/dbraw/zinc/51/82/63/530518263.db2.gz XBXHJIYKQWUJJQ-CQSZACIVSA-N 1 1 387.527 0.890 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000266280741 530613667 /nfs/dbraw/zinc/61/36/67/530613667.db2.gz JDKVRLXKRBUBIG-KGLIPLIRSA-N 1 1 387.527 0.842 10 0 GCAEMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000473520324 530712395 /nfs/dbraw/zinc/71/23/95/530712395.db2.gz CMTMFSPPMCWCCI-INIZCTEOSA-N 1 1 375.535 0.760 10 0 GCAEMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000106270456 530931287 /nfs/dbraw/zinc/93/12/87/530931287.db2.gz YVQXQDOGMLFKLI-UHFFFAOYSA-N 1 1 399.289 0.233 10 0 GCAEMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000106270456 530931288 /nfs/dbraw/zinc/93/12/88/530931288.db2.gz YVQXQDOGMLFKLI-UHFFFAOYSA-N 1 1 399.289 0.233 10 0 GCAEMO C[N@H+]1CCC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000525035062 530992282 /nfs/dbraw/zinc/99/22/82/530992282.db2.gz OKKJTZXXOGKIBC-PBHICJAKSA-N 1 1 385.555 0.978 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000553747052 531156276 /nfs/dbraw/zinc/15/62/76/531156276.db2.gz IKYXNUZPYFSNRD-GFCCVEGCSA-N 1 1 386.440 0.760 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(NC)nc2)C[N@@H+]1C1CCOCC1 ZINC000095517330 211264104 /nfs/dbraw/zinc/26/41/04/211264104.db2.gz UHKMSFVDNRYVEX-HIFRSBDPSA-N 1 1 376.461 0.006 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(NC)nc2)C[N@H+]1C1CCOCC1 ZINC000095517330 211264109 /nfs/dbraw/zinc/26/41/09/211264109.db2.gz UHKMSFVDNRYVEX-HIFRSBDPSA-N 1 1 376.461 0.006 10 0 GCAEMO CN1CC[NH+](CCCNC(=O)Cn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512315 210343971 /nfs/dbraw/zinc/34/39/71/210343971.db2.gz OVTPBRPWIMOARI-UHFFFAOYSA-N 1 1 382.468 0.403 10 0 GCAEMO O=C([C@H]1C[N@H+](CC2(O)CCC2)C[C@@H]1C(F)(F)F)N1CCS(=O)(=O)CC1 ZINC000888103425 638648080 /nfs/dbraw/zinc/64/80/80/638648080.db2.gz ZUBPKNQIZHSEFA-RYUDHWBXSA-N 1 1 384.420 0.269 10 0 GCAEMO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[NH+](C2CC2)CC1 ZINC000171871637 639635318 /nfs/dbraw/zinc/63/53/18/639635318.db2.gz RLQQWIVEXPXJIQ-UHFFFAOYSA-N 1 1 380.461 0.740 10 0 GCAEMO C[N@@H+](CCO)C1CCN(C(=O)c2c[nH]nc2I)CC1 ZINC000897394857 677374211 /nfs/dbraw/zinc/37/42/11/677374211.db2.gz YVGGYKKCYAWKQB-UHFFFAOYSA-N 1 1 378.214 0.543 10 0 GCAEMO C[C@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC[N@@H+]1CCO ZINC000187255425 1192521920 /nfs/dbraw/zinc/52/19/20/1192521920.db2.gz MYAIFVBEUJOJBS-FXAWDEMLSA-N 1 1 396.491 0.948 10 0 GCAEMO C[C@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC[N@H+]1CCO ZINC000187255425 1192521921 /nfs/dbraw/zinc/52/19/21/1192521921.db2.gz MYAIFVBEUJOJBS-FXAWDEMLSA-N 1 1 396.491 0.948 10 0 GCAEMO C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000163424202 1192524449 /nfs/dbraw/zinc/52/44/49/1192524449.db2.gz JCPGBUIMACCWGA-RBUKOAKNSA-N 1 1 381.565 0.766 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)cn1 ZINC000549659417 1192560656 /nfs/dbraw/zinc/56/06/56/1192560656.db2.gz HIXXRFMNNPDMTJ-DLBZAZTESA-N 1 1 387.488 0.769 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)cn1 ZINC000549659417 1192560658 /nfs/dbraw/zinc/56/06/58/1192560658.db2.gz HIXXRFMNNPDMTJ-DLBZAZTESA-N 1 1 387.488 0.769 10 0 GCAEMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000408380509 1192587142 /nfs/dbraw/zinc/58/71/42/1192587142.db2.gz AAXHIGARRCVYJZ-RWMBFGLXSA-N 1 1 381.498 0.845 10 0 GCAEMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000408380507 1192587328 /nfs/dbraw/zinc/58/73/28/1192587328.db2.gz AAXHIGARRCVYJZ-JHJVBQTASA-N 1 1 381.498 0.845 10 0 GCAEMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380508 1192587438 /nfs/dbraw/zinc/58/74/38/1192587438.db2.gz AAXHIGARRCVYJZ-QVHKTLOISA-N 1 1 381.498 0.845 10 0 GCAEMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380508 1192587443 /nfs/dbraw/zinc/58/74/43/1192587443.db2.gz AAXHIGARRCVYJZ-QVHKTLOISA-N 1 1 381.498 0.845 10 0 GCAEMO CS(=O)(=O)N1CC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000152041690 1192736637 /nfs/dbraw/zinc/73/66/37/1192736637.db2.gz VPMMGWRLILIWKV-SFHVURJKSA-N 1 1 394.541 0.202 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000473381093 1192882741 /nfs/dbraw/zinc/88/27/41/1192882741.db2.gz UYLKGGCGOVZKTN-UHFFFAOYSA-N 1 1 380.470 0.087 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614102994 1192905096 /nfs/dbraw/zinc/90/50/96/1192905096.db2.gz AFCXHJCKSNTDCN-DLBZAZTESA-N 1 1 397.472 0.812 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000246011485 1192915079 /nfs/dbraw/zinc/91/50/79/1192915079.db2.gz LBWZKJRKPGENTE-SWLSCSKDSA-N 1 1 388.472 0.826 10 0 GCAEMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@@H]2CCO)C[C@H](C)O1 ZINC000579865252 1184402734 /nfs/dbraw/zinc/40/27/34/1184402734.db2.gz QGJBWDORVCJLLA-ZNMIVQPWSA-N 1 1 387.546 0.317 10 0 GCAEMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@@H]2CCO)C[C@H](C)O1 ZINC000579865252 1184402741 /nfs/dbraw/zinc/40/27/41/1184402741.db2.gz QGJBWDORVCJLLA-ZNMIVQPWSA-N 1 1 387.546 0.317 10 0 GCAEMO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000580336870 1185177143 /nfs/dbraw/zinc/17/71/43/1185177143.db2.gz FPPYLGDNHBGDNF-QGZVFWFLSA-N 1 1 388.468 0.697 10 0 GCAEMO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000580336870 1185177147 /nfs/dbraw/zinc/17/71/47/1185177147.db2.gz FPPYLGDNHBGDNF-QGZVFWFLSA-N 1 1 388.468 0.697 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880145 1185222689 /nfs/dbraw/zinc/22/26/89/1185222689.db2.gz GXWXIUMWJPQCGG-GJZGRUSLSA-N 1 1 378.477 0.643 10 0 GCAEMO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880145 1185222693 /nfs/dbraw/zinc/22/26/93/1185222693.db2.gz GXWXIUMWJPQCGG-GJZGRUSLSA-N 1 1 378.477 0.643 10 0 GCAEMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nnc3ccccn32)C[C@@H](C)O1 ZINC000580585716 1185281427 /nfs/dbraw/zinc/28/14/27/1185281427.db2.gz SCXURGXKLMGQNM-ZIAGYGMSSA-N 1 1 388.472 0.350 10 0 GCAEMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000684206767 1185616870 /nfs/dbraw/zinc/61/68/70/1185616870.db2.gz JDTQLPMVGJVBFH-KBMXLJTQSA-N 1 1 392.479 0.438 10 0 GCAEMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581447393 1185697863 /nfs/dbraw/zinc/69/78/63/1185697863.db2.gz QIIGDQSXFJNVSZ-MAUKXSAKSA-N 1 1 385.468 0.442 10 0 GCAEMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581447393 1185697869 /nfs/dbraw/zinc/69/78/69/1185697869.db2.gz QIIGDQSXFJNVSZ-MAUKXSAKSA-N 1 1 385.468 0.442 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000458118941 1186205493 /nfs/dbraw/zinc/20/54/93/1186205493.db2.gz ZHCUKRUJVARTJC-CABCVRRESA-N 1 1 378.502 0.912 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000684640684 1186288871 /nfs/dbraw/zinc/28/88/71/1186288871.db2.gz YPRJXHXHFOGNAK-HNNXBMFYSA-N 1 1 392.504 0.005 10 0 GCAEMO CC(C)CN1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1=O ZINC000582022039 1186373694 /nfs/dbraw/zinc/37/36/94/1186373694.db2.gz LJHNUYAGBJLEKB-XYTVBORESA-N 1 1 378.517 0.833 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000548654352 1186376939 /nfs/dbraw/zinc/37/69/39/1186376939.db2.gz JHXCHXQMUFCXKR-UHFFFAOYSA-N 1 1 383.537 0.293 10 0 GCAEMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCc1nccs1 ZINC000159256335 1186564905 /nfs/dbraw/zinc/56/49/05/1186564905.db2.gz MZYAXVDCOFINAP-UHFFFAOYSA-N 1 1 376.486 0.845 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000582620152 1186587634 /nfs/dbraw/zinc/58/76/34/1186587634.db2.gz NXXGHIDIZFVDBV-ZFWWWQNUSA-N 1 1 381.448 0.927 10 0 GCAEMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458423473 1186792358 /nfs/dbraw/zinc/79/23/58/1186792358.db2.gz ATWLSFXYPBQPAO-WMZOPIPTSA-N 1 1 387.488 0.149 10 0 GCAEMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458423471 1186792819 /nfs/dbraw/zinc/79/28/19/1186792819.db2.gz ATWLSFXYPBQPAO-FUHWJXTLSA-N 1 1 387.488 0.149 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000155485673 1186817862 /nfs/dbraw/zinc/81/78/62/1186817862.db2.gz BHXIFWKQAAGEAA-CQSZACIVSA-N 1 1 385.472 0.838 10 0 GCAEMO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000163417703 1186925528 /nfs/dbraw/zinc/92/55/28/1186925528.db2.gz VRMFMHVZUPLRKJ-SJLPKXTDSA-N 1 1 376.501 0.953 10 0 GCAEMO COC(=O)[C@@]1(NCCCC(=O)NC(N)=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611794615 1186959908 /nfs/dbraw/zinc/95/99/08/1186959908.db2.gz BPILPFKAFFQLEA-LJQANCHMSA-N 1 1 376.457 0.759 10 0 GCAEMO C[C@H](NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000584134304 1187004627 /nfs/dbraw/zinc/00/46/27/1187004627.db2.gz FSKDCILDFCXZIR-RZQQEMMASA-N 1 1 379.501 0.774 10 0 GCAEMO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000329696849 1187009455 /nfs/dbraw/zinc/00/94/55/1187009455.db2.gz YBQMMUBDSUCIDR-UHFFFAOYSA-N 1 1 387.484 0.935 10 0 GCAEMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472322933 1187074001 /nfs/dbraw/zinc/07/40/01/1187074001.db2.gz GVJCGNHAAUTTHJ-GOSISDBHSA-N 1 1 375.517 0.785 10 0 GCAEMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472322933 1187074005 /nfs/dbraw/zinc/07/40/05/1187074005.db2.gz GVJCGNHAAUTTHJ-GOSISDBHSA-N 1 1 375.517 0.785 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C12CCOCC2 ZINC000685467351 1187132671 /nfs/dbraw/zinc/13/26/71/1187132671.db2.gz PKGPGCZSBNWXIR-LTIDMASMSA-N 1 1 379.501 0.772 10 0 GCAEMO O[C@H](CN1CCOCC1)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000120103622 1187425667 /nfs/dbraw/zinc/42/56/67/1187425667.db2.gz JEJBKLIEMHQDFF-HNNXBMFYSA-N 1 1 393.513 0.609 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000173966307 1187744827 /nfs/dbraw/zinc/74/48/27/1187744827.db2.gz SLGVJESZXHUGMY-STQMWFEESA-N 1 1 394.438 0.702 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000173966307 1187744832 /nfs/dbraw/zinc/74/48/32/1187744832.db2.gz SLGVJESZXHUGMY-STQMWFEESA-N 1 1 394.438 0.702 10 0 GCAEMO CC[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000176160390 1187837760 /nfs/dbraw/zinc/83/77/60/1187837760.db2.gz NIMYNMJZNALSDK-LJQANCHMSA-N 1 1 388.512 0.558 10 0 GCAEMO C[C@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1CCO ZINC000187660864 1187909912 /nfs/dbraw/zinc/90/99/12/1187909912.db2.gz FOEDOCOQFUSARA-KMYSJOAASA-N 1 1 378.517 0.779 10 0 GCAEMO C[C@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1CCO ZINC000187660864 1187909915 /nfs/dbraw/zinc/90/99/15/1187909915.db2.gz FOEDOCOQFUSARA-KMYSJOAASA-N 1 1 378.517 0.779 10 0 GCAEMO C[C@@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1CCO ZINC000187660840 1187910004 /nfs/dbraw/zinc/91/00/04/1187910004.db2.gz FOEDOCOQFUSARA-ZIUDEIKKSA-N 1 1 378.517 0.779 10 0 GCAEMO C[C@@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1CCO ZINC000187660840 1187910006 /nfs/dbraw/zinc/91/00/06/1187910006.db2.gz FOEDOCOQFUSARA-ZIUDEIKKSA-N 1 1 378.517 0.779 10 0 GCAEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000407998695 1187971121 /nfs/dbraw/zinc/97/11/21/1187971121.db2.gz RYQJKMAMGFEPKS-GJZGRUSLSA-N 1 1 381.498 0.872 10 0 GCAEMO NC(=O)C[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000376611802 1187995339 /nfs/dbraw/zinc/99/53/39/1187995339.db2.gz JDZIHCPQPUZJSY-OAHLLOKOSA-N 1 1 377.464 0.855 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408136723 1189934574 /nfs/dbraw/zinc/93/45/74/1189934574.db2.gz GNUUHGIUMDBUDE-OAHLLOKOSA-N 1 1 379.505 0.241 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000333302420 1193892215 /nfs/dbraw/zinc/89/22/15/1193892215.db2.gz TXHADLHGBIEKKL-QGZVFWFLSA-N 1 1 390.484 0.970 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434791323 1194870293 /nfs/dbraw/zinc/87/02/93/1194870293.db2.gz CAKTXDZXKFXWMF-IFXJQAMLSA-N 1 1 391.424 0.312 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434791323 1194870295 /nfs/dbraw/zinc/87/02/95/1194870295.db2.gz CAKTXDZXKFXWMF-IFXJQAMLSA-N 1 1 391.424 0.312 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435015641 1194883495 /nfs/dbraw/zinc/88/34/95/1194883495.db2.gz IAGDWYUBQXKUMX-UHFFFAOYSA-N 1 1 391.516 1.541 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000516569507 1195068538 /nfs/dbraw/zinc/06/85/38/1195068538.db2.gz RHTBPTXAIKAGON-QGZVFWFLSA-N 1 1 385.461 0.718 10 0 GCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000517857002 1195224599 /nfs/dbraw/zinc/22/45/99/1195224599.db2.gz HEJKVGAZXSJYBC-OAHLLOKOSA-N 1 1 382.486 0.524 10 0 GCAEMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000438784917 1195249058 /nfs/dbraw/zinc/24/90/58/1195249058.db2.gz ULRKKNNMCCGPOT-RBSFLKMASA-N 1 1 392.504 1.072 10 0 GCAEMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000438784914 1195249167 /nfs/dbraw/zinc/24/91/67/1195249167.db2.gz ULRKKNNMCCGPOT-KFWWJZLASA-N 1 1 392.504 1.072 10 0 GCAEMO COCCOCC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506604812 1195327965 /nfs/dbraw/zinc/32/79/65/1195327965.db2.gz ZJPZYTCEVBYVHQ-QGZVFWFLSA-N 1 1 379.505 0.505 10 0 GCAEMO CC(=O)NCCC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506631258 1195336648 /nfs/dbraw/zinc/33/66/48/1195336648.db2.gz DRQNIRIIFKPORZ-KRWDZBQOSA-N 1 1 376.505 0.368 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000550027118 1195394126 /nfs/dbraw/zinc/39/41/26/1195394126.db2.gz HNSNEYRCISTNQO-BRWVUGGUSA-N 1 1 377.489 0.872 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000550027118 1195394131 /nfs/dbraw/zinc/39/41/31/1195394131.db2.gz HNSNEYRCISTNQO-BRWVUGGUSA-N 1 1 377.489 0.872 10 0 GCAEMO C[C@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1CCO ZINC000187681287 1195419997 /nfs/dbraw/zinc/41/99/97/1195419997.db2.gz UWLMEHNQHXBQRM-KRWDZBQOSA-N 1 1 394.947 0.983 10 0 GCAEMO C[C@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1CCO ZINC000187681287 1195419999 /nfs/dbraw/zinc/41/99/99/1195419999.db2.gz UWLMEHNQHXBQRM-KRWDZBQOSA-N 1 1 394.947 0.983 10 0 GCAEMO COc1ccc([C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c2nccn2C)cc1 ZINC000550259346 1195471944 /nfs/dbraw/zinc/47/19/44/1195471944.db2.gz QCIHDLHBMOSPDV-CRAIPNDOSA-N 1 1 397.479 0.987 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000440925120 1195589590 /nfs/dbraw/zinc/58/95/90/1195589590.db2.gz LAYYNIKTHLQLKZ-PWSUYJOCSA-N 1 1 385.461 0.766 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000441024836 1195597960 /nfs/dbraw/zinc/59/79/60/1195597960.db2.gz FULXASFHJOGCEZ-CZUORRHYSA-N 1 1 396.513 0.722 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125447131 1195703169 /nfs/dbraw/zinc/70/31/69/1195703169.db2.gz IWIPHGLAWJJMGF-HZPDHXFCSA-N 1 1 388.578 0.579 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125446675 1195703203 /nfs/dbraw/zinc/70/32/03/1195703203.db2.gz IWIPHGLAWJJMGF-JKSUJKDBSA-N 1 1 388.578 0.579 10 0 GCAEMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188715480 1195737235 /nfs/dbraw/zinc/73/72/35/1195737235.db2.gz FRSKZDGEZSVZTF-CXAGYDPISA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188715480 1195737238 /nfs/dbraw/zinc/73/72/38/1195737238.db2.gz FRSKZDGEZSVZTF-CXAGYDPISA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1cc(N2CCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)nc(C(C)C)n1 ZINC000051211031 1195928737 /nfs/dbraw/zinc/92/87/37/1195928737.db2.gz SMLPHNQDBIIOAN-UHFFFAOYSA-N 1 1 390.532 0.167 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000442350581 1195978028 /nfs/dbraw/zinc/97/80/28/1195978028.db2.gz ZHEPEUICXQRBCQ-LBPRGKRZSA-N 1 1 380.470 0.300 10 0 GCAEMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000442698014 1195999181 /nfs/dbraw/zinc/99/91/81/1195999181.db2.gz BSUVXIFWNLFHJO-CQSZACIVSA-N 1 1 396.513 0.724 10 0 GCAEMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)CCCO)cc2)CC1 ZINC000443265324 1196032589 /nfs/dbraw/zinc/03/25/89/1196032589.db2.gz FZVCQLOKLNMHBP-UHFFFAOYSA-N 1 1 390.484 0.173 10 0 GCAEMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1F ZINC000028899536 1196064987 /nfs/dbraw/zinc/06/49/87/1196064987.db2.gz AGNUJQKPLKZXEG-UHFFFAOYSA-N 1 1 378.448 0.631 10 0 GCAEMO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000550534391 1196079211 /nfs/dbraw/zinc/07/92/11/1196079211.db2.gz JFJPTAVFKMGCFC-MSOLQXFVSA-N 1 1 375.469 0.819 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1 ZINC000114382521 1196097081 /nfs/dbraw/zinc/09/70/81/1196097081.db2.gz HDDJLRGFPNJVRD-UHFFFAOYSA-N 1 1 382.530 0.598 10 0 GCAEMO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000114379533 1196097138 /nfs/dbraw/zinc/09/71/38/1196097138.db2.gz OEXIVYTVJSOSHW-SJLPKXTDSA-N 1 1 375.517 0.836 10 0 GCAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000474297613 1196107217 /nfs/dbraw/zinc/10/72/17/1196107217.db2.gz DMXCDZSGUYZSAF-JXFKEZNVSA-N 1 1 396.532 0.909 10 0 GCAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000474297615 1196107382 /nfs/dbraw/zinc/10/73/82/1196107382.db2.gz DMXCDZSGUYZSAF-OXQOHEQNSA-N 1 1 396.532 0.909 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000114802420 1196112124 /nfs/dbraw/zinc/11/21/24/1196112124.db2.gz DHYYEVWIJOCQBT-KSZLIROESA-N 1 1 393.576 0.602 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(Cc3cscn3)CC2)C1 ZINC000116075270 1196130820 /nfs/dbraw/zinc/13/08/20/1196130820.db2.gz QPELOJRHZLGMTQ-SFHVURJKSA-N 1 1 395.573 0.734 10 0 GCAEMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000329407775 1196192729 /nfs/dbraw/zinc/19/27/29/1196192729.db2.gz BEJGXOGYBJIMAZ-KXBFYZLASA-N 1 1 378.473 0.625 10 0 GCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329441661 1196196330 /nfs/dbraw/zinc/19/63/30/1196196330.db2.gz NDPRZTYRBLAKMN-ZACQAIPSSA-N 1 1 377.485 0.875 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C)C1 ZINC000329703090 1196224526 /nfs/dbraw/zinc/22/45/26/1196224526.db2.gz IDHDYBPJQNGPLB-FPCVCCKLSA-N 1 1 385.530 0.211 10 0 GCAEMO Cc1cc(=O)[nH]cc1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329914150 1196238648 /nfs/dbraw/zinc/23/86/48/1196238648.db2.gz XSEUKWJBKYWHGX-UHFFFAOYSA-N 1 1 389.500 0.406 10 0 GCAEMO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000522852108 1196352976 /nfs/dbraw/zinc/35/29/76/1196352976.db2.gz FRRGPVQLXUSODL-AWEZNQCLSA-N 1 1 387.440 0.405 10 0 GCAEMO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000522852108 1196352980 /nfs/dbraw/zinc/35/29/80/1196352980.db2.gz FRRGPVQLXUSODL-AWEZNQCLSA-N 1 1 387.440 0.405 10 0 GCAEMO COCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000522985965 1196372946 /nfs/dbraw/zinc/37/29/46/1196372946.db2.gz XAELEIFIQCSTCD-CYBMUJFWSA-N 1 1 380.411 0.950 10 0 GCAEMO O=C(CC(F)(F)F)N1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000524033975 1196572952 /nfs/dbraw/zinc/57/29/52/1196572952.db2.gz ZJKIFIKQLHDBEO-UHFFFAOYSA-N 1 1 380.411 0.951 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)cc[nH+]1 ZINC000525289585 1196665040 /nfs/dbraw/zinc/66/50/40/1196665040.db2.gz QXUYFPDETFJVFY-MRXNPFEDSA-N 1 1 397.483 0.991 10 0 GCAEMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)n1C ZINC000525895431 1196724623 /nfs/dbraw/zinc/72/46/23/1196724623.db2.gz JIGIOKZSCHQDMP-UHFFFAOYSA-N 1 1 386.456 0.578 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cn(-c4cccnc4)nn3)CC2)cc[nH+]1 ZINC000449919082 1196905407 /nfs/dbraw/zinc/90/54/07/1196905407.db2.gz NBRQXBBSYNHAFT-UHFFFAOYSA-N 1 1 379.428 0.481 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC12COC2 ZINC000451137812 1196972538 /nfs/dbraw/zinc/97/25/38/1196972538.db2.gz POGSIWLXBBMEFG-KRWDZBQOSA-N 1 1 396.509 0.960 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451124352 1196973439 /nfs/dbraw/zinc/97/34/39/1196973439.db2.gz HWJORWYUOPAUHX-WBVHZDCISA-N 1 1 393.436 0.724 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451125755 1196973687 /nfs/dbraw/zinc/97/36/87/1196973687.db2.gz ODMRSOOWPJVROQ-HNNXBMFYSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451127655 1196973943 /nfs/dbraw/zinc/97/39/43/1196973943.db2.gz ANGQLBHRHWOVDA-BZUAXINKSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451132563 1196973953 /nfs/dbraw/zinc/97/39/53/1196973953.db2.gz IZFDSGHJXRVNOX-SNVBAGLBSA-N 1 1 381.351 0.276 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCCc2ccccc2OC)CC12COC2 ZINC000451128077 1196974028 /nfs/dbraw/zinc/97/40/28/1196974028.db2.gz WQSLHBUIEDCFKQ-MRXNPFEDSA-N 1 1 376.453 0.865 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCCc2ccccc2OC)CC12COC2 ZINC000451128077 1196974030 /nfs/dbraw/zinc/97/40/30/1196974030.db2.gz WQSLHBUIEDCFKQ-MRXNPFEDSA-N 1 1 376.453 0.865 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC12COC2 ZINC000451135531 1196974691 /nfs/dbraw/zinc/97/46/91/1196974691.db2.gz MSSYXZQQPVSLTH-QGZVFWFLSA-N 1 1 391.468 0.435 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC12COC2 ZINC000451135531 1196974692 /nfs/dbraw/zinc/97/46/92/1196974692.db2.gz MSSYXZQQPVSLTH-QGZVFWFLSA-N 1 1 391.468 0.435 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2c(OC)cccc2OC)CC12COC2 ZINC000451133992 1196974718 /nfs/dbraw/zinc/97/47/18/1196974718.db2.gz KHRXISQJZKLVSO-GJZGRUSLSA-N 1 1 395.452 0.955 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451132607 1196974869 /nfs/dbraw/zinc/97/48/69/1196974869.db2.gz JAWSADSAEDBUKD-ZBFHGGJFSA-N 1 1 396.484 0.688 10 0 GCAEMO O=C(C[N@@H+]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463349 1197036832 /nfs/dbraw/zinc/03/68/32/1197036832.db2.gz HCJWWDQOJQORJS-MOPGFXCFSA-N 1 1 392.544 0.787 10 0 GCAEMO O=C(C[N@H+]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463349 1197036838 /nfs/dbraw/zinc/03/68/38/1197036838.db2.gz HCJWWDQOJQORJS-MOPGFXCFSA-N 1 1 392.544 0.787 10 0 GCAEMO O=C(C[N@@H+]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463827 1197036927 /nfs/dbraw/zinc/03/69/27/1197036927.db2.gz HCJWWDQOJQORJS-OALUTQOASA-N 1 1 392.544 0.787 10 0 GCAEMO O=C(C[N@H+]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463827 1197036931 /nfs/dbraw/zinc/03/69/31/1197036931.db2.gz HCJWWDQOJQORJS-OALUTQOASA-N 1 1 392.544 0.787 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC000452356231 1197054197 /nfs/dbraw/zinc/05/41/97/1197054197.db2.gz ZYIZLSWSDWXMAW-KRWDZBQOSA-N 1 1 397.541 0.887 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000531294743 1197063626 /nfs/dbraw/zinc/06/36/26/1197063626.db2.gz SGQRDFJPYHWRCR-FQEVSTJZSA-N 1 1 385.468 0.659 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC12COC2 ZINC000453807426 1197139431 /nfs/dbraw/zinc/13/94/31/1197139431.db2.gz ULLPOHWHCVPBFV-MRXNPFEDSA-N 1 1 387.436 0.609 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC12COC2 ZINC000453807426 1197139434 /nfs/dbraw/zinc/13/94/34/1197139434.db2.gz ULLPOHWHCVPBFV-MRXNPFEDSA-N 1 1 387.436 0.609 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175715579 1197184571 /nfs/dbraw/zinc/18/45/71/1197184571.db2.gz HOQLKRNHQWSMFO-ZWKOTPCHSA-N 1 1 391.564 0.962 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000177226924 1197189011 /nfs/dbraw/zinc/18/90/11/1197189011.db2.gz UUJXIQPPNGQOTB-CQSZACIVSA-N 1 1 394.907 0.777 10 0 GCAEMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179895148 1197199723 /nfs/dbraw/zinc/19/97/23/1197199723.db2.gz QNZXKZUPLXYCPS-QGZVFWFLSA-N 1 1 391.516 0.636 10 0 GCAEMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000181470039 1197204778 /nfs/dbraw/zinc/20/47/78/1197204778.db2.gz MEIMMQBKCJEWHM-GOSISDBHSA-N 1 1 394.541 0.344 10 0 GCAEMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ccccn1 ZINC000188072043 1197232101 /nfs/dbraw/zinc/23/21/01/1197232101.db2.gz UXSUFOOYBGYMFQ-OAQYLSRUSA-N 1 1 382.464 0.907 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(NC(=O)C3CC3)CC2)C1 ZINC000192885777 1197248364 /nfs/dbraw/zinc/24/83/64/1197248364.db2.gz BTCCAQOMFXFAEK-GOSISDBHSA-N 1 1 380.533 0.450 10 0 GCAEMO O=C(C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439533 1197255423 /nfs/dbraw/zinc/25/54/23/1197255423.db2.gz MBGTWXRPYAHDLT-INIZCTEOSA-N 1 1 396.499 0.931 10 0 GCAEMO O=C(C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439533 1197255424 /nfs/dbraw/zinc/25/54/24/1197255424.db2.gz MBGTWXRPYAHDLT-INIZCTEOSA-N 1 1 396.499 0.931 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000475837245 1197267310 /nfs/dbraw/zinc/26/73/10/1197267310.db2.gz OZWYATWIVIWUHL-MRXNPFEDSA-N 1 1 379.482 0.863 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1S(N)(=O)=O ZINC000532527810 1197320484 /nfs/dbraw/zinc/32/04/84/1197320484.db2.gz HZQFLWDFBYBSTP-DZGCQCFKSA-N 1 1 399.488 0.967 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1S(N)(=O)=O ZINC000532527811 1197320776 /nfs/dbraw/zinc/32/07/76/1197320776.db2.gz HZQFLWDFBYBSTP-HIFRSBDPSA-N 1 1 399.488 0.967 10 0 GCAEMO C[N@H+](CCN1CCOCC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000114463992 1197336554 /nfs/dbraw/zinc/33/65/54/1197336554.db2.gz ROKLYNQBZCQQML-UHFFFAOYSA-N 1 1 388.512 0.671 10 0 GCAEMO C[N@@H+](CCN1CCOCC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000114463992 1197336557 /nfs/dbraw/zinc/33/65/57/1197336557.db2.gz ROKLYNQBZCQQML-UHFFFAOYSA-N 1 1 388.512 0.671 10 0 GCAEMO CCN1CCN(C(=O)[C@@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119681021 1197340771 /nfs/dbraw/zinc/34/07/71/1197340771.db2.gz AWTZRMKQRGTBKT-WRURNZQNSA-N 1 1 377.577 0.782 10 0 GCAEMO Cc1cccc2c1ncn(CCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c2=O ZINC000119840366 1197341102 /nfs/dbraw/zinc/34/11/02/1197341102.db2.gz PODLYDYXDLLGHK-UHFFFAOYSA-N 1 1 399.495 0.718 10 0 GCAEMO Cc1cccc2c1ncn(CCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c2=O ZINC000119840366 1197341104 /nfs/dbraw/zinc/34/11/04/1197341104.db2.gz PODLYDYXDLLGHK-UHFFFAOYSA-N 1 1 399.495 0.718 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CC[C@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519032 1197352075 /nfs/dbraw/zinc/35/20/75/1197352075.db2.gz ZLFQHQLSQQEPQD-UONOGXRCSA-N 1 1 380.518 0.489 10 0 GCAEMO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127294712 1197360988 /nfs/dbraw/zinc/36/09/88/1197360988.db2.gz GPRRXFBFKZSDKL-PMRDEQMMSA-N 1 1 386.562 0.762 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000130638621 1197372395 /nfs/dbraw/zinc/37/23/95/1197372395.db2.gz PJLMVUDCULMETJ-RHSMWYFYSA-N 1 1 376.844 0.762 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000130638621 1197372397 /nfs/dbraw/zinc/37/23/97/1197372397.db2.gz PJLMVUDCULMETJ-RHSMWYFYSA-N 1 1 376.844 0.762 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@@H]1CCCc3c1cnn3C)c(=O)n2C ZINC000135575503 1197387754 /nfs/dbraw/zinc/38/77/54/1197387754.db2.gz XZNZWCFVZBKGEB-CQSZACIVSA-N 1 1 385.472 0.567 10 0 GCAEMO O=C(CN1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699385 1197390954 /nfs/dbraw/zinc/39/09/54/1197390954.db2.gz KUWSPUYFBQGKSF-RBUKOAKNSA-N 1 1 383.533 0.609 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc3c2ncnc3N(C)C)C1 ZINC000195523792 1197401508 /nfs/dbraw/zinc/40/15/08/1197401508.db2.gz FQSSKHSPMPLCRI-CQSZACIVSA-N 1 1 375.477 0.365 10 0 GCAEMO CCN(CC(=O)NC(C)C)C(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532731229 1197406595 /nfs/dbraw/zinc/40/65/95/1197406595.db2.gz LZWWBEQATDQGMA-UHFFFAOYSA-N 1 1 391.520 0.038 10 0 GCAEMO CN1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000245695548 1197419662 /nfs/dbraw/zinc/41/96/62/1197419662.db2.gz YBKHIICTROIHMF-SJLPKXTDSA-N 1 1 384.484 0.945 10 0 GCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)C1 ZINC000533060458 1197430012 /nfs/dbraw/zinc/43/00/12/1197430012.db2.gz FRYXCWIIWDJDNB-FYQPLNBISA-N 1 1 397.560 0.855 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 ZINC000533071753 1197430465 /nfs/dbraw/zinc/43/04/65/1197430465.db2.gz LDNAHHJMSQZHPP-MRXNPFEDSA-N 1 1 375.521 0.217 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC12COC2 ZINC000454930970 1197438506 /nfs/dbraw/zinc/43/85/06/1197438506.db2.gz SWXKNXNUZKVAGM-HNNXBMFYSA-N 1 1 382.505 0.234 10 0 GCAEMO C[C@H]1CN(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000245922044 1197438991 /nfs/dbraw/zinc/43/89/91/1197438991.db2.gz OUUSPOJCMWMMIN-SZNINPNASA-N 1 1 386.562 0.583 10 0 GCAEMO CN(C)c1nccc(N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)n1 ZINC000533395448 1197449680 /nfs/dbraw/zinc/44/96/80/1197449680.db2.gz XLUPSFBPMWDSAD-UHFFFAOYSA-N 1 1 375.477 0.385 10 0 GCAEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)CC2 ZINC000246189578 1197453381 /nfs/dbraw/zinc/45/33/81/1197453381.db2.gz ONAQVFQYSZZHQK-KFWWJZLASA-N 1 1 383.518 0.561 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000066858305 1197467509 /nfs/dbraw/zinc/46/75/09/1197467509.db2.gz MEPPKIVNSKMFKB-UHFFFAOYSA-N 1 1 385.468 0.873 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000073619143 1197470487 /nfs/dbraw/zinc/47/04/87/1197470487.db2.gz DJHAIJIPYSDACF-IBGZPJMESA-N 1 1 381.565 0.909 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000246865974 1197474559 /nfs/dbraw/zinc/47/45/59/1197474559.db2.gz AEJWCMRHJSKQHF-AZUAARDMSA-N 1 1 388.512 0.633 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248053487 1197478202 /nfs/dbraw/zinc/47/82/02/1197478202.db2.gz OAWZJSZPSYHHPX-RDJZCZTQSA-N 1 1 377.470 0.260 10 0 GCAEMO C[C@H](NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C ZINC000248983251 1197480672 /nfs/dbraw/zinc/48/06/72/1197480672.db2.gz FXSOTKGYZQPGOE-YLVFBTJISA-N 1 1 380.876 0.794 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261911332 1197518481 /nfs/dbraw/zinc/51/84/81/1197518481.db2.gz HOGIATVBNRAILC-SWLSCSKDSA-N 1 1 393.469 0.526 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000261939608 1197519922 /nfs/dbraw/zinc/51/99/22/1197519922.db2.gz KJRDWKLPLIVITL-MGPUTAFESA-N 1 1 386.452 0.889 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)c2=O ZINC000261972066 1197520953 /nfs/dbraw/zinc/52/09/53/1197520953.db2.gz NIHJMYNPPUYDKK-OAHLLOKOSA-N 1 1 386.843 0.957 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)c2=O ZINC000261972065 1197521088 /nfs/dbraw/zinc/52/10/88/1197521088.db2.gz NIHJMYNPPUYDKK-HNNXBMFYSA-N 1 1 386.843 0.957 10 0 GCAEMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000333451031 1197522709 /nfs/dbraw/zinc/52/27/09/1197522709.db2.gz LUOMULQYLBFSIM-HOTGVXAUSA-N 1 1 390.488 0.224 10 0 GCAEMO O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262559575 1197535041 /nfs/dbraw/zinc/53/50/41/1197535041.db2.gz XWGPITZROSMPFU-CVEARBPZSA-N 1 1 394.541 0.501 10 0 GCAEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000270282107 1199174918 /nfs/dbraw/zinc/17/49/18/1199174918.db2.gz VNIRWXSMBJCEQI-GJZGRUSLSA-N 1 1 381.498 0.872 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000672307070 1199200411 /nfs/dbraw/zinc/20/04/11/1199200411.db2.gz KDKUVSPWSSEVSG-HKUYNNGSSA-N 1 1 387.480 0.893 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)C2)nn1 ZINC000672403288 1199228905 /nfs/dbraw/zinc/22/89/05/1199228905.db2.gz DMSINMXCQJQCHY-IKGGRYGDSA-N 1 1 386.500 0.565 10 0 GCAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000672418172 1199232123 /nfs/dbraw/zinc/23/21/23/1199232123.db2.gz APSPMXVASCLXQN-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CC[C@@H](CC(N)=O)C2)c2cccs2)CC1 ZINC000672682049 1199313955 /nfs/dbraw/zinc/31/39/55/1199313955.db2.gz BNJKGXVKHXFRGX-GJZGRUSLSA-N 1 1 379.530 0.944 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[nH]n1 ZINC000672748240 1199325359 /nfs/dbraw/zinc/32/53/59/1199325359.db2.gz RQEWZAXYCJUUQV-WMLDXEAASA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n[nH]1 ZINC000672748240 1199325364 /nfs/dbraw/zinc/32/53/64/1199325364.db2.gz RQEWZAXYCJUUQV-WMLDXEAASA-N 1 1 376.505 0.004 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n[nH]1 ZINC000672748240 1199325367 /nfs/dbraw/zinc/32/53/67/1199325367.db2.gz RQEWZAXYCJUUQV-WMLDXEAASA-N 1 1 376.505 0.004 10 0 GCAEMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000672855445 1199353328 /nfs/dbraw/zinc/35/33/28/1199353328.db2.gz YMVRMIIATOOLCC-FXAWDEMLSA-N 1 1 379.501 0.918 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888760 1199360289 /nfs/dbraw/zinc/36/02/89/1199360289.db2.gz KITGIBSXQGYWGW-BRWVUGGUSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888760 1199360293 /nfs/dbraw/zinc/36/02/93/1199360293.db2.gz KITGIBSXQGYWGW-BRWVUGGUSA-N 1 1 388.516 0.590 10 0 GCAEMO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)cn1 ZINC000672889143 1199362366 /nfs/dbraw/zinc/36/23/66/1199362366.db2.gz GZXNMDOVWDVRKW-JFIYKMOQSA-N 1 1 388.516 0.448 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)Cc1nnnn1C ZINC000466461860 1199714836 /nfs/dbraw/zinc/71/48/36/1199714836.db2.gz FDAYIDYIWCRENW-OAHLLOKOSA-N 1 1 387.488 0.179 10 0 GCAEMO C/C(=C\C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)CN1CCOCC1 ZINC000922337210 1199727023 /nfs/dbraw/zinc/72/70/23/1199727023.db2.gz AQJFYYBCTBQCNM-DGDHUYAWSA-N 1 1 380.533 0.178 10 0 GCAEMO C/C(=C\C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)CN1CCOCC1 ZINC000922337211 1199727333 /nfs/dbraw/zinc/72/73/33/1199727333.db2.gz AQJFYYBCTBQCNM-LRXXLLMYSA-N 1 1 380.533 0.178 10 0 GCAEMO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673847690 1199959595 /nfs/dbraw/zinc/95/95/95/1199959595.db2.gz INSDIQCZGJOOTL-GHTZIAJQSA-N 1 1 387.480 0.520 10 0 GCAEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673884160 1199968072 /nfs/dbraw/zinc/96/80/72/1199968072.db2.gz VEMQEUCEAIOMLN-GOSISDBHSA-N 1 1 395.548 0.434 10 0 GCAEMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673884160 1199968074 /nfs/dbraw/zinc/96/80/74/1199968074.db2.gz VEMQEUCEAIOMLN-GOSISDBHSA-N 1 1 395.548 0.434 10 0 GCAEMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@](C)(CO)COC)cc2)CC1 ZINC000674383969 1200231965 /nfs/dbraw/zinc/23/19/65/1200231965.db2.gz KBDJITRGPFHMAL-HXUWFJFHSA-N 1 1 392.500 0.912 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675651821 1200448295 /nfs/dbraw/zinc/44/82/95/1200448295.db2.gz LHJNBEOKHWZJPT-CVEARBPZSA-N 1 1 388.534 0.355 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675655835 1200450100 /nfs/dbraw/zinc/45/01/00/1200450100.db2.gz CGUMTGOFZPPQTK-RCCFBDPRSA-N 1 1 394.516 0.709 10 0 GCAEMO Cn1ccnc1CN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133057934 1200592320 /nfs/dbraw/zinc/59/23/20/1200592320.db2.gz PGMJZZLGUYJSLY-LJQANCHMSA-N 1 1 383.496 0.965 10 0 GCAEMO Cn1ccnc1CN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133057934 1200592325 /nfs/dbraw/zinc/59/23/25/1200592325.db2.gz PGMJZZLGUYJSLY-LJQANCHMSA-N 1 1 383.496 0.965 10 0 GCAEMO CC(C)(C)n1cnc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)n1 ZINC000464105085 1200681108 /nfs/dbraw/zinc/68/11/08/1200681108.db2.gz RUZQWXPLKXNDGK-OAHLLOKOSA-N 1 1 386.456 1.177 10 0 GCAEMO CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)no2)CCCC1 ZINC000453826254 1200803774 /nfs/dbraw/zinc/80/37/74/1200803774.db2.gz VXCVABGJIRNHPL-CQSZACIVSA-N 1 1 378.473 1.408 10 0 GCAEMO CC1(c2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3CCCO)no2)CCCC1 ZINC000453802792 1200804136 /nfs/dbraw/zinc/80/41/36/1200804136.db2.gz DTZIINKHLCCHPT-AWEZNQCLSA-N 1 1 378.473 1.408 10 0 GCAEMO COCCn1ccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000329514106 1200890497 /nfs/dbraw/zinc/89/04/97/1200890497.db2.gz LUJYBYYXVPSNOT-UHFFFAOYSA-N 1 1 392.504 0.938 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000625962822 1200957949 /nfs/dbraw/zinc/95/79/49/1200957949.db2.gz SIZGYZOIZZDVTJ-MRXNPFEDSA-N 1 1 380.533 0.986 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)N2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611265803 1201227126 /nfs/dbraw/zinc/22/71/26/1201227126.db2.gz GUVSBMJUHFCLPT-FQEVSTJZSA-N 1 1 375.469 0.643 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)N2CCOCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611265803 1201227133 /nfs/dbraw/zinc/22/71/33/1201227133.db2.gz GUVSBMJUHFCLPT-FQEVSTJZSA-N 1 1 375.469 0.643 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N1Cc2ccccc2C1=O ZINC000823771438 1201607732 /nfs/dbraw/zinc/60/77/32/1201607732.db2.gz JMBSKFCMACHNBE-CRAIPNDOSA-N 1 1 384.480 0.796 10 0 GCAEMO CC[S@](=O)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000735109164 1201678417 /nfs/dbraw/zinc/67/84/17/1201678417.db2.gz GUFMATCPPIFYQR-CRYYWNKWSA-N 1 1 394.541 0.952 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000735198938 1201683263 /nfs/dbraw/zinc/68/32/63/1201683263.db2.gz GPGNINGYRWHUQJ-AREMUKBSSA-N 1 1 381.498 0.385 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000735478843 1201689601 /nfs/dbraw/zinc/68/96/01/1201689601.db2.gz JEIHNMIOKZAYQO-ZBFHGGJFSA-N 1 1 377.514 0.630 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1cc2n(n1)CCCC2 ZINC000828026292 1201713635 /nfs/dbraw/zinc/71/36/35/1201713635.db2.gz DHPPKJIDNBPCFV-GOSISDBHSA-N 1 1 389.500 0.549 10 0 GCAEMO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)c1 ZINC000828636787 1201718068 /nfs/dbraw/zinc/71/80/68/1201718068.db2.gz SSPJGEFJBUYECC-APWZRJJASA-N 1 1 395.525 0.591 10 0 GCAEMO C[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1CO ZINC000828725201 1201719433 /nfs/dbraw/zinc/71/94/33/1201719433.db2.gz RSAQKSCHOYFWQD-LBPRGKRZSA-N 1 1 399.289 0.112 10 0 GCAEMO C[N@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1CO ZINC000828725201 1201719440 /nfs/dbraw/zinc/71/94/40/1201719440.db2.gz RSAQKSCHOYFWQD-LBPRGKRZSA-N 1 1 399.289 0.112 10 0 GCAEMO Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000179742550 1201770816 /nfs/dbraw/zinc/77/08/16/1201770816.db2.gz PLSZRBYMKQQRHJ-GOSISDBHSA-N 1 1 390.532 0.918 10 0 GCAEMO CC[S@@](=O)CCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000743127666 1201812823 /nfs/dbraw/zinc/81/28/23/1201812823.db2.gz HVJKKIVGTJCIAV-HHHXNRCGSA-N 1 1 396.513 0.973 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000770725156 1202108156 /nfs/dbraw/zinc/10/81/56/1202108156.db2.gz BIALNSSGAWQJAU-AWEZNQCLSA-N 1 1 376.505 0.626 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000771293341 1202133250 /nfs/dbraw/zinc/13/32/50/1202133250.db2.gz LBFKGXWJDDXLLN-XOBRGWDASA-N 1 1 388.468 0.839 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)C1 ZINC000771295387 1202133269 /nfs/dbraw/zinc/13/32/69/1202133269.db2.gz YYMUJUQSYKYPNP-JLTOFOAXSA-N 1 1 388.468 0.920 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)C1 ZINC000771295390 1202133286 /nfs/dbraw/zinc/13/32/86/1202133286.db2.gz YYMUJUQSYKYPNP-VBKZILBWSA-N 1 1 388.468 0.920 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000771599002 1202150419 /nfs/dbraw/zinc/15/04/19/1202150419.db2.gz ZCJHYJMZLJEXRZ-XOBRGWDASA-N 1 1 388.468 0.933 10 0 GCAEMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000771599002 1202150421 /nfs/dbraw/zinc/15/04/21/1202150421.db2.gz ZCJHYJMZLJEXRZ-XOBRGWDASA-N 1 1 388.468 0.933 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000787611018 1205394861 /nfs/dbraw/zinc/39/48/61/1205394861.db2.gz CXOCEXOHHDYJRD-MRXNPFEDSA-N 1 1 392.887 0.204 10 0 GCAEMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc2)CC1 ZINC000789633119 1205444841 /nfs/dbraw/zinc/44/48/41/1205444841.db2.gz GYOSTFAMJANSPO-AWEZNQCLSA-N 1 1 388.390 0.806 10 0 GCAEMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000794118584 1205511605 /nfs/dbraw/zinc/51/16/05/1205511605.db2.gz KQIAMPDZGILWIF-OAHLLOKOSA-N 1 1 380.489 0.880 10 0 GCAEMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC12OCCO2 ZINC000773749902 1205788873 /nfs/dbraw/zinc/78/88/73/1205788873.db2.gz DLPNWPNVRUVQGM-MRXNPFEDSA-N 1 1 375.473 0.648 10 0 GCAEMO CC(=O)N/C(=C\c1cccs1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000817547945 1205850730 /nfs/dbraw/zinc/85/07/30/1205850730.db2.gz UQSPHVIJXBISCZ-SSZFMOIBSA-N 1 1 378.498 0.848 10 0 GCAEMO O=C(CNC(=O)[C@H]1CCCC12OCCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000774404564 1205871289 /nfs/dbraw/zinc/87/12/89/1205871289.db2.gz DBKOPGGKDDYGJH-GOSISDBHSA-N 1 1 387.480 0.990 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000775085002 1205955334 /nfs/dbraw/zinc/95/53/34/1205955334.db2.gz SLQXXCLUEKYWKZ-SOKVYYICSA-N 1 1 395.525 0.833 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246909931 530144977 /nfs/dbraw/zinc/14/49/77/530144977.db2.gz ATNXCZDHYDAMOI-CHWSQXEVSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246909931 530144981 /nfs/dbraw/zinc/14/49/81/530144981.db2.gz ATNXCZDHYDAMOI-CHWSQXEVSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000265346803 530179935 /nfs/dbraw/zinc/17/99/35/530179935.db2.gz RHHJLBHMACTZGZ-HOTGVXAUSA-N 1 1 383.539 0.927 10 0 GCAEMO CC(C)[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000587122705 530310347 /nfs/dbraw/zinc/31/03/47/530310347.db2.gz DCCFFBCWMGPSCI-OAHLLOKOSA-N 1 1 376.523 0.068 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000408026897 530348308 /nfs/dbraw/zinc/34/83/08/530348308.db2.gz HMDNDKUBDPQJAH-HZPDHXFCSA-N 1 1 388.511 0.325 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000408026897 530348312 /nfs/dbraw/zinc/34/83/12/530348312.db2.gz HMDNDKUBDPQJAH-HZPDHXFCSA-N 1 1 388.511 0.325 10 0 GCAEMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@H+]3CCC[C@H]3C1)c2=O ZINC000170728107 530348329 /nfs/dbraw/zinc/34/83/29/530348329.db2.gz RIVKVZBMTQKEHT-JTQLQIEISA-N 1 1 395.261 0.199 10 0 GCAEMO C[C@@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000172057341 530350784 /nfs/dbraw/zinc/35/07/84/530350784.db2.gz AOFNTJSDLQWVDO-GXTWGEPZSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000172057341 530350785 /nfs/dbraw/zinc/35/07/85/530350785.db2.gz AOFNTJSDLQWVDO-GXTWGEPZSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000172057339 530350867 /nfs/dbraw/zinc/35/08/67/530350867.db2.gz AOFNTJSDLQWVDO-OCCSQVGLSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000172057339 530350869 /nfs/dbraw/zinc/35/08/69/530350869.db2.gz AOFNTJSDLQWVDO-OCCSQVGLSA-N 1 1 386.543 0.828 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193489143 530393621 /nfs/dbraw/zinc/39/36/21/530393621.db2.gz PWODKEMASLVWJI-GFCCVEGCSA-N 1 1 385.262 0.698 10 0 GCAEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@@H]2C1 ZINC000285004662 530388649 /nfs/dbraw/zinc/38/86/49/530388649.db2.gz LOLAVHCIMYIXMS-NEPJUHHUSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@@H]2C1 ZINC000285004662 530388651 /nfs/dbraw/zinc/38/86/51/530388651.db2.gz LOLAVHCIMYIXMS-NEPJUHHUSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@H]2C1 ZINC000285276525 530392100 /nfs/dbraw/zinc/39/21/00/530392100.db2.gz ZQYQKPAYHLJUCJ-QWHCGFSZSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(Br)c3)[C@H]2C1 ZINC000285276525 530392102 /nfs/dbraw/zinc/39/21/02/530392102.db2.gz ZQYQKPAYHLJUCJ-QWHCGFSZSA-N 1 1 376.276 0.938 10 0 GCAEMO CC(C)CN(C)S(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000408134267 530408831 /nfs/dbraw/zinc/40/88/31/530408831.db2.gz RQZMCOBSNMLDTL-QGZVFWFLSA-N 1 1 376.567 0.546 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1CCO ZINC000187252841 530509749 /nfs/dbraw/zinc/50/97/49/530509749.db2.gz SXQXEVHKIJMRFA-GFCCVEGCSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@H+]1CCO ZINC000187252841 530509750 /nfs/dbraw/zinc/50/97/50/530509750.db2.gz SXQXEVHKIJMRFA-GFCCVEGCSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264938921 530541363 /nfs/dbraw/zinc/54/13/63/530541363.db2.gz FGIWVGICSRLGCW-KGLIPLIRSA-N 1 1 387.527 0.794 10 0 GCAEMO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000451228915 530575471 /nfs/dbraw/zinc/57/54/71/530575471.db2.gz QGDZSQWBWVPWRD-LLVKDONJSA-N 1 1 376.397 0.200 10 0 GCAEMO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000451228915 530575474 /nfs/dbraw/zinc/57/54/74/530575474.db2.gz QGDZSQWBWVPWRD-LLVKDONJSA-N 1 1 376.397 0.200 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000266280740 530614293 /nfs/dbraw/zinc/61/42/93/530614293.db2.gz JDKVRLXKRBUBIG-KBPBESRZSA-N 1 1 387.527 0.842 10 0 GCAEMO O[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1ccnn1 ZINC000459721990 530637735 /nfs/dbraw/zinc/63/77/35/530637735.db2.gz UQCFBGUHADUHSH-LBPRGKRZSA-N 1 1 378.234 0.772 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1S(N)(=O)=O ZINC000461035694 530641852 /nfs/dbraw/zinc/64/18/52/530641852.db2.gz CYSMVHDCRMMRHQ-LLVKDONJSA-N 1 1 375.466 0.869 10 0 GCAEMO COCCCS(=O)(=O)NCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000175215693 530849500 /nfs/dbraw/zinc/84/95/00/530849500.db2.gz BSZQBIFIYJXOOL-KRWDZBQOSA-N 1 1 376.567 0.044 10 0 GCAEMO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176539401 530849846 /nfs/dbraw/zinc/84/98/46/530849846.db2.gz MKXYRFAWJOAYHK-GFCCVEGCSA-N 1 1 384.424 0.790 10 0 GCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CNC(=O)c2ccc(Br)o2)cn1 ZINC000181440159 530853902 /nfs/dbraw/zinc/85/39/02/530853902.db2.gz LIFAQDIPNXFUMC-NSHDSACASA-N 1 1 396.245 0.679 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000510214920 530924702 /nfs/dbraw/zinc/92/47/02/530924702.db2.gz SFEKTEHFJKQZBT-UHFFFAOYSA-N 1 1 375.441 0.842 10 0 GCAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000524045426 530984263 /nfs/dbraw/zinc/98/42/63/530984263.db2.gz OXWCUQWAWQISOM-LLVKDONJSA-N 1 1 375.466 0.871 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@]3(O)CC[N@H+](C)C3)c(Cl)cc21 ZINC000528369194 530996752 /nfs/dbraw/zinc/99/67/52/530996752.db2.gz YYSLWDXMZIFGSX-MRXNPFEDSA-N 1 1 387.889 0.594 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000245638227 531129752 /nfs/dbraw/zinc/12/97/52/531129752.db2.gz HAXZANSTMXEFOI-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000245638227 531129755 /nfs/dbraw/zinc/12/97/55/531129755.db2.gz HAXZANSTMXEFOI-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000246451509 531138608 /nfs/dbraw/zinc/13/86/08/531138608.db2.gz OQHIEWIJNXNOGV-ZWNOBZJWSA-N 1 1 399.289 0.931 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000564996785 531177756 /nfs/dbraw/zinc/17/77/56/531177756.db2.gz YOWNUDFQANNVJD-CYBMUJFWSA-N 1 1 375.397 0.233 10 0 GCAEMO Cc1nc(N2CCCCC2)ncc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091410403 136176225 /nfs/dbraw/zinc/17/62/25/136176225.db2.gz IRFDNNVJNCZUPX-IAGOWNOFSA-N 1 1 391.516 0.380 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C[N@H+]1C1CCOCC1 ZINC000096163968 222394623 /nfs/dbraw/zinc/39/46/23/222394623.db2.gz FLLHVOOKPPJCHV-GUYCJALGSA-N 1 1 375.473 0.775 10 0 GCAEMO COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nn1 ZINC000512192757 570855804 /nfs/dbraw/zinc/85/58/04/570855804.db2.gz BZWIBFUEEMZGDO-RYUDHWBXSA-N 1 1 375.408 0.688 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000163474400 640122671 /nfs/dbraw/zinc/12/26/71/640122671.db2.gz XAQAWCPLRAFQQF-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000163474400 640122677 /nfs/dbraw/zinc/12/26/77/640122677.db2.gz XAQAWCPLRAFQQF-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO CC[NH+]1CCN(CCCCNC(=O)N(C)CC(C)(C)S(C)(=O)=O)CC1 ZINC000763478497 640630445 /nfs/dbraw/zinc/63/04/45/640630445.db2.gz RCHCOQBXGBBNKZ-UHFFFAOYSA-N 1 1 376.567 0.869 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000585733622 1192400073 /nfs/dbraw/zinc/40/00/73/1192400073.db2.gz DLQXKNALNFSRQN-QGZVFWFLSA-N 1 1 380.514 0.835 10 0 GCAEMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332830534 1192906503 /nfs/dbraw/zinc/90/65/03/1192906503.db2.gz DMWOAFJHEGDHBF-XHSDSOJGSA-N 1 1 396.513 0.417 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)N1CC[NH+](C)CC1 ZINC000332833350 1192906657 /nfs/dbraw/zinc/90/66/57/1192906657.db2.gz AQCFSWYYVLOJEH-IXDOHACOSA-N 1 1 375.517 0.947 10 0 GCAEMO CC[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000179464576 1184386513 /nfs/dbraw/zinc/38/65/13/1184386513.db2.gz REXLNDODZQTFPC-AWEZNQCLSA-N 1 1 375.464 0.521 10 0 GCAEMO Cn1cc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O ZINC000179695898 1184412661 /nfs/dbraw/zinc/41/26/61/1184412661.db2.gz GXZHZDFBYDPNDG-UHFFFAOYSA-N 1 1 392.887 0.934 10 0 GCAEMO Cn1cc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O ZINC000179695898 1184412663 /nfs/dbraw/zinc/41/26/63/1184412663.db2.gz GXZHZDFBYDPNDG-UHFFFAOYSA-N 1 1 392.887 0.934 10 0 GCAEMO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510243177 1184641003 /nfs/dbraw/zinc/64/10/03/1184641003.db2.gz QQSIBQPRBOQKOQ-OAHLLOKOSA-N 1 1 389.518 0.049 10 0 GCAEMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510268820 1184710173 /nfs/dbraw/zinc/71/01/73/1184710173.db2.gz OXLAWPUVPYEJPR-NVXWUHKLSA-N 1 1 389.562 0.959 10 0 GCAEMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000609075852 1184830109 /nfs/dbraw/zinc/83/01/09/1184830109.db2.gz ABLDYUBVPFCCRE-OAHLLOKOSA-N 1 1 397.497 0.647 10 0 GCAEMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000547985374 1184876226 /nfs/dbraw/zinc/87/62/26/1184876226.db2.gz TXHIRHQNHPMCAQ-CQSZACIVSA-N 1 1 381.498 0.574 10 0 GCAEMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000547985374 1184876231 /nfs/dbraw/zinc/87/62/31/1184876231.db2.gz TXHIRHQNHPMCAQ-CQSZACIVSA-N 1 1 381.498 0.574 10 0 GCAEMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275660631 1184881067 /nfs/dbraw/zinc/88/10/67/1184881067.db2.gz LAXSBMFLNMPJPY-CVEARBPZSA-N 1 1 376.505 0.780 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000275759136 1185031760 /nfs/dbraw/zinc/03/17/60/1185031760.db2.gz XPIFZFNGKCRXOW-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000275759136 1185031767 /nfs/dbraw/zinc/03/17/67/1185031767.db2.gz XPIFZFNGKCRXOW-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000275759141 1185031784 /nfs/dbraw/zinc/03/17/84/1185031784.db2.gz XPIFZFNGKCRXOW-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000275759141 1185031789 /nfs/dbraw/zinc/03/17/89/1185031789.db2.gz XPIFZFNGKCRXOW-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000683829571 1185104381 /nfs/dbraw/zinc/10/43/81/1185104381.db2.gz FJRHYWIDNJUWOV-OAHLLOKOSA-N 1 1 388.534 0.307 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc21 ZINC000683872325 1185164135 /nfs/dbraw/zinc/16/41/35/1185164135.db2.gz CNHUZIUSARUOJI-FUHWJXTLSA-N 1 1 398.463 0.535 10 0 GCAEMO CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000580359903 1185199567 /nfs/dbraw/zinc/19/95/67/1185199567.db2.gz CDZZVZCCEKTVSG-OAGGEKHMSA-N 1 1 388.516 0.745 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000580535404 1185265838 /nfs/dbraw/zinc/26/58/38/1185265838.db2.gz IHZMCALOGPHHGF-UHFFFAOYSA-N 1 1 393.509 0.616 10 0 GCAEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000581443956 1185690514 /nfs/dbraw/zinc/69/05/14/1185690514.db2.gz WVOOCBXHCYXBHM-QFBILLFUSA-N 1 1 387.480 0.893 10 0 GCAEMO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000276484178 1185838249 /nfs/dbraw/zinc/83/82/49/1185838249.db2.gz OHGDYITXVISHEB-HOTGVXAUSA-N 1 1 376.505 0.780 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276611790 1185930235 /nfs/dbraw/zinc/93/02/35/1185930235.db2.gz RMAHATXFERFYFH-IAGOWNOFSA-N 1 1 377.464 0.472 10 0 GCAEMO Cn1cc(/C=C\C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c(=O)n(C)c1=O ZINC000255381383 1185965533 /nfs/dbraw/zinc/96/55/33/1185965533.db2.gz NFJKTRIHPIPBIL-YHYXMXQVSA-N 1 1 397.479 0.878 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000458118942 1186205727 /nfs/dbraw/zinc/20/57/27/1186205727.db2.gz ZHCUKRUJVARTJC-GJZGRUSLSA-N 1 1 378.502 0.912 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000458118943 1186206110 /nfs/dbraw/zinc/20/61/10/1186206110.db2.gz ZHCUKRUJVARTJC-HUUCEWRRSA-N 1 1 378.502 0.912 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157611816 1186365935 /nfs/dbraw/zinc/36/59/35/1186365935.db2.gz KRNATHRNVDOWRH-JQWIXIFHSA-N 1 1 390.488 0.848 10 0 GCAEMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548717420 1186482328 /nfs/dbraw/zinc/48/23/28/1186482328.db2.gz PIFVBTHGRIVWOR-UEXGIBASSA-N 1 1 390.528 0.616 10 0 GCAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC2)cn1 ZINC000277754243 1186589988 /nfs/dbraw/zinc/58/99/88/1186589988.db2.gz QPKPODRRRNBDSH-RBUKOAKNSA-N 1 1 391.516 0.963 10 0 GCAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC2)cn1 ZINC000277754243 1186589990 /nfs/dbraw/zinc/58/99/90/1186589990.db2.gz QPKPODRRRNBDSH-RBUKOAKNSA-N 1 1 391.516 0.963 10 0 GCAEMO Cn1cc(Cl)cc1C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000120133690 1186706819 /nfs/dbraw/zinc/70/68/19/1186706819.db2.gz SLQKPYCIDGAKSA-UHFFFAOYSA-N 1 1 378.864 0.948 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(O)c3)CC2)C1 ZINC000121211411 1186732372 /nfs/dbraw/zinc/73/23/72/1186732372.db2.gz KOPPUZBFPZXDGB-HXUWFJFHSA-N 1 1 390.528 0.987 10 0 GCAEMO O=C(NCc1nnc2ccccn21)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583156713 1186783855 /nfs/dbraw/zinc/78/38/55/1186783855.db2.gz FGJYKQKSYBYDIL-KRWDZBQOSA-N 1 1 392.463 0.984 10 0 GCAEMO COCC(=O)N[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000154414680 1186791165 /nfs/dbraw/zinc/79/11/65/1186791165.db2.gz DNTPLSAKHPGBCZ-RZRMAFQFSA-N 1 1 380.533 0.543 10 0 GCAEMO C[N@H+]1CCC[C@H](CCNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000458431304 1186796661 /nfs/dbraw/zinc/79/66/61/1186796661.db2.gz NDXOUSVTZDLQGW-QGZVFWFLSA-N 1 1 379.549 0.962 10 0 GCAEMO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@H+](C)C[C@@H]3C)CC2)cn1C ZINC000155234073 1186812247 /nfs/dbraw/zinc/81/22/47/1186812247.db2.gz YSOOWDQOOJQEHY-OKILXGFUSA-N 1 1 397.545 0.680 10 0 GCAEMO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000545167691 1186918208 /nfs/dbraw/zinc/91/82/08/1186918208.db2.gz IDCWSKIFQJSGTJ-UHFFFAOYSA-N 1 1 394.497 0.610 10 0 GCAEMO CN1C(=O)C[C@@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)[C@H]1c1cccnc1 ZINC000129619734 1186922466 /nfs/dbraw/zinc/92/24/66/1186922466.db2.gz QUXDIZRRBDWSOC-UYAOXDASSA-N 1 1 387.528 0.991 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)N2CCN(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795605 1186963303 /nfs/dbraw/zinc/96/33/03/1186963303.db2.gz LQMXEUKAWJZZJB-NRFANRHFSA-N 1 1 388.512 0.558 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)N2CCN(C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795605 1186963306 /nfs/dbraw/zinc/96/33/06/1186963306.db2.gz LQMXEUKAWJZZJB-NRFANRHFSA-N 1 1 388.512 0.558 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C12CCOCC2 ZINC000685467373 1187132719 /nfs/dbraw/zinc/13/27/19/1187132719.db2.gz PKGPGCZSBNWXIR-LUKYLMHMSA-N 1 1 379.501 0.772 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000785222993 1187338579 /nfs/dbraw/zinc/33/85/79/1187338579.db2.gz RSPDWENHGDIKKM-AWEZNQCLSA-N 1 1 375.454 0.841 10 0 GCAEMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000033017831 1187504870 /nfs/dbraw/zinc/50/48/70/1187504870.db2.gz BJGDCCQLFASJKC-UHFFFAOYSA-N 1 1 378.432 0.864 10 0 GCAEMO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@H](C)N1CCOCC1 ZINC000247035085 1187699327 /nfs/dbraw/zinc/69/93/27/1187699327.db2.gz DZFJBQMFUVTTDD-GBESFXJTSA-N 1 1 381.565 0.907 10 0 GCAEMO CN1CCO[C@H]2CCN(C(=O)NCc3n[nH]c(COc4ccccc4)n3)C[C@H]21 ZINC000332783658 1187772314 /nfs/dbraw/zinc/77/23/14/1187772314.db2.gz LITOZFIMSXJPJU-CVEARBPZSA-N 1 1 386.456 0.998 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000332797486 1187777810 /nfs/dbraw/zinc/77/78/10/1187777810.db2.gz ROAQPFUZJAYUIF-GJZGRUSLSA-N 1 1 377.493 0.191 10 0 GCAEMO CCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407980068 1187955706 /nfs/dbraw/zinc/95/57/06/1187955706.db2.gz DPXXXTGDIBDMQH-QWHCGFSZSA-N 1 1 387.484 0.749 10 0 GCAEMO CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549505645 1189817436 /nfs/dbraw/zinc/81/74/36/1189817436.db2.gz LJIIQQALMFRLOG-HNNXBMFYSA-N 1 1 391.497 0.889 10 0 GCAEMO CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549505645 1189817441 /nfs/dbraw/zinc/81/74/41/1189817441.db2.gz LJIIQQALMFRLOG-HNNXBMFYSA-N 1 1 391.497 0.889 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H](C)C1 ZINC000249136448 1193766271 /nfs/dbraw/zinc/76/62/71/1193766271.db2.gz DXFWPGYSZOXGOS-LRDDRELGSA-N 1 1 389.435 0.929 10 0 GCAEMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000261803295 1193926872 /nfs/dbraw/zinc/92/68/72/1193926872.db2.gz VXXWPVLMSIJGQR-INIZCTEOSA-N 1 1 391.497 0.570 10 0 GCAEMO Cc1nnc(COCC(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)s1 ZINC000513286248 1193932414 /nfs/dbraw/zinc/93/24/14/1193932414.db2.gz JRSVCDYQVGBCHJ-UHFFFAOYSA-N 1 1 377.474 0.568 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000513440772 1193952158 /nfs/dbraw/zinc/95/21/58/1193952158.db2.gz TXVXOKLGOSQNIF-INIZCTEOSA-N 1 1 396.513 0.267 10 0 GCAEMO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504438336 1194794757 /nfs/dbraw/zinc/79/47/57/1194794757.db2.gz JUESMOMLNGCBBJ-CZUORRHYSA-N 1 1 394.497 0.531 10 0 GCAEMO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504438337 1194794893 /nfs/dbraw/zinc/79/48/93/1194794893.db2.gz JUESMOMLNGCBBJ-XJKSGUPXSA-N 1 1 394.497 0.531 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000261896604 1194800586 /nfs/dbraw/zinc/80/05/86/1194800586.db2.gz GDPMMKSBYHANMN-OAHLLOKOSA-N 1 1 382.424 0.312 10 0 GCAEMO CCS(=O)(=O)N1CCC(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000637904342 1194820038 /nfs/dbraw/zinc/82/00/38/1194820038.db2.gz RRECNQLIZKFSGU-QGZVFWFLSA-N 1 1 382.530 0.376 10 0 GCAEMO CCS(=O)(=O)N1CCC(NC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000637904342 1194820040 /nfs/dbraw/zinc/82/00/40/1194820040.db2.gz RRECNQLIZKFSGU-QGZVFWFLSA-N 1 1 382.530 0.376 10 0 GCAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000637921846 1194829212 /nfs/dbraw/zinc/82/92/12/1194829212.db2.gz HQNLJGOSWIYRLJ-IAGOWNOFSA-N 1 1 382.530 0.376 10 0 GCAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000637921846 1194829214 /nfs/dbraw/zinc/82/92/14/1194829214.db2.gz HQNLJGOSWIYRLJ-IAGOWNOFSA-N 1 1 382.530 0.376 10 0 GCAEMO C[C@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)CN1CC[NH+](C)CC1 ZINC000434583150 1194853440 /nfs/dbraw/zinc/85/34/40/1194853440.db2.gz YMJAODUYSIRGIC-OAHLLOKOSA-N 1 1 391.516 1.445 10 0 GCAEMO C[C@H]1CCc2nc(NC(=O)C(=O)NCCC[NH+]3CCN(C)CC3)sc2C1 ZINC000434683701 1194860907 /nfs/dbraw/zinc/86/09/07/1194860907.db2.gz FITFAGORTVJAKP-ZDUSSCGKSA-N 1 1 379.530 0.960 10 0 GCAEMO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434779718 1194868808 /nfs/dbraw/zinc/86/88/08/1194868808.db2.gz WQMYCWBLAMFYAI-IBGZPJMESA-N 1 1 390.440 0.336 10 0 GCAEMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434779718 1194868811 /nfs/dbraw/zinc/86/88/11/1194868811.db2.gz WQMYCWBLAMFYAI-IBGZPJMESA-N 1 1 390.440 0.336 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@@H+]3C[C@@H]1C)CC2 ZINC000514683496 1194892897 /nfs/dbraw/zinc/89/28/97/1194892897.db2.gz BYAHVVHWFKSUCA-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@H]3CCCC[N@H+]3C[C@@H]1C)CC2 ZINC000514683496 1194892900 /nfs/dbraw/zinc/89/29/00/1194892900.db2.gz BYAHVVHWFKSUCA-ARFHVFGLSA-N 1 1 388.516 0.918 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[C@H](C)C1 ZINC000246707800 1194946683 /nfs/dbraw/zinc/94/66/83/1194946683.db2.gz KNIHXPFNYJCCFH-INWMFGNUSA-N 1 1 399.561 0.892 10 0 GCAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000516335265 1195043406 /nfs/dbraw/zinc/04/34/06/1195043406.db2.gz GWSJFPRWVOBITP-XJKSGUPXSA-N 1 1 390.488 0.249 10 0 GCAEMO CCOC[C@@H](O)C[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506595285 1195325856 /nfs/dbraw/zinc/32/58/56/1195325856.db2.gz QERNPPHKOHIZEZ-DLBZAZTESA-N 1 1 379.505 0.239 10 0 GCAEMO CCOC[C@H](O)C[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506595287 1195325956 /nfs/dbraw/zinc/32/59/56/1195325956.db2.gz QERNPPHKOHIZEZ-IAGOWNOFSA-N 1 1 379.505 0.239 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000550135360 1195446407 /nfs/dbraw/zinc/44/64/07/1195446407.db2.gz ISYMBHPZGKEVGF-CQSZACIVSA-N 1 1 394.497 0.279 10 0 GCAEMO COc1ccc([C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c2nccn2C)cc1 ZINC000550259349 1195471827 /nfs/dbraw/zinc/47/18/27/1195471827.db2.gz QCIHDLHBMOSPDV-YJBOKZPZSA-N 1 1 397.479 0.987 10 0 GCAEMO CN(C)c1nccc(N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000440651485 1195570464 /nfs/dbraw/zinc/57/04/64/1195570464.db2.gz KNYDUNVVHNZQRY-OAHLLOKOSA-N 1 1 382.534 0.336 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000441024837 1195598045 /nfs/dbraw/zinc/59/80/45/1195598045.db2.gz FULXASFHJOGCEZ-XJKSGUPXSA-N 1 1 396.513 0.722 10 0 GCAEMO COc1cccc(CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000441245117 1195615417 /nfs/dbraw/zinc/61/54/17/1195615417.db2.gz DPDSILISKOPIES-MRXNPFEDSA-N 1 1 377.489 0.875 10 0 GCAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509820 1195638699 /nfs/dbraw/zinc/63/86/99/1195638699.db2.gz JDSCFJZLCOADQV-ZJUUUORDSA-N 1 1 378.404 0.736 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229820282 1195762277 /nfs/dbraw/zinc/76/22/77/1195762277.db2.gz GRDGTQVUEMXALM-JKSUJKDBSA-N 1 1 377.489 0.935 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229820282 1195762279 /nfs/dbraw/zinc/76/22/79/1195762279.db2.gz GRDGTQVUEMXALM-JKSUJKDBSA-N 1 1 377.489 0.935 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000067306329 1195781028 /nfs/dbraw/zinc/78/10/28/1195781028.db2.gz HEDRSWDKKPOCQS-LFDOHDQPSA-N 1 1 391.516 0.383 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000536488027 1195838018 /nfs/dbraw/zinc/83/80/18/1195838018.db2.gz KVLAHZTZKXDDSR-QAPCUYQASA-N 1 1 389.500 0.266 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000536488027 1195838023 /nfs/dbraw/zinc/83/80/23/1195838023.db2.gz KVLAHZTZKXDDSR-QAPCUYQASA-N 1 1 389.500 0.266 10 0 GCAEMO CN(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)CCN2CCN(C)CC2)cn1C ZINC000185432938 1195846627 /nfs/dbraw/zinc/84/66/27/1195846627.db2.gz LLEWXZDHTFNWHV-UHFFFAOYSA-N 1 1 399.561 0.421 10 0 GCAEMO Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000507849628 1195864537 /nfs/dbraw/zinc/86/45/37/1195864537.db2.gz DBMUZRIMHZESNT-MRXNPFEDSA-N 1 1 384.488 0.510 10 0 GCAEMO Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000507849628 1195864541 /nfs/dbraw/zinc/86/45/41/1195864541.db2.gz DBMUZRIMHZESNT-MRXNPFEDSA-N 1 1 384.488 0.510 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000550457453 1195979810 /nfs/dbraw/zinc/97/98/10/1195979810.db2.gz KKSGZKUSVZOQCY-UZLBHIALSA-N 1 1 397.516 0.256 10 0 GCAEMO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000442960880 1196013410 /nfs/dbraw/zinc/01/34/10/1196013410.db2.gz XLIFXZCPEXUGKH-UHFFFAOYSA-N 1 1 378.458 0.457 10 0 GCAEMO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc1F ZINC000550484432 1196053616 /nfs/dbraw/zinc/05/36/16/1196053616.db2.gz GJJDWIIRLPRYRT-CYBMUJFWSA-N 1 1 381.448 0.927 10 0 GCAEMO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000550534393 1196079011 /nfs/dbraw/zinc/07/90/11/1196079011.db2.gz JFJPTAVFKMGCFC-QZTJIDSGSA-N 1 1 375.469 0.819 10 0 GCAEMO Cc1noc(CN2CCN(CC[NH+]3CCN(Cc4nc(C)no4)CC3)CC2)n1 ZINC000114714384 1196109038 /nfs/dbraw/zinc/10/90/38/1196109038.db2.gz XYYYAWVCDPJIOU-UHFFFAOYSA-N 1 1 390.492 0.005 10 0 GCAEMO COCC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccccc1 ZINC000052927632 1196109284 /nfs/dbraw/zinc/10/92/84/1196109284.db2.gz IHEHKSZQWVFFRJ-UHFFFAOYSA-N 1 1 385.468 0.972 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(S(C)(=O)=O)CCCC3)CC2)CC1 ZINC000329217383 1196177223 /nfs/dbraw/zinc/17/72/23/1196177223.db2.gz QARXIAQHHVQUSJ-UHFFFAOYSA-N 1 1 399.557 0.747 10 0 GCAEMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[NH+](C2CC2)CC1 ZINC000329214786 1196177254 /nfs/dbraw/zinc/17/72/54/1196177254.db2.gz LQXHKOBBDLYQRG-ZDUSSCGKSA-N 1 1 378.498 0.392 10 0 GCAEMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000329407773 1196192907 /nfs/dbraw/zinc/19/29/07/1196192907.db2.gz BEJGXOGYBJIMAZ-DNVCBOLYSA-N 1 1 378.473 0.625 10 0 GCAEMO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329451427 1196197539 /nfs/dbraw/zinc/19/75/39/1196197539.db2.gz CRHUUXIIIPVQBE-INIZCTEOSA-N 1 1 380.514 0.487 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H](C)C1 ZINC000329703091 1196224671 /nfs/dbraw/zinc/22/46/71/1196224671.db2.gz IDHDYBPJQNGPLB-FZKCQIBNSA-N 1 1 385.530 0.211 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000444380191 1196452497 /nfs/dbraw/zinc/45/24/97/1196452497.db2.gz FFYUKJRVALNVPH-MRXNPFEDSA-N 1 1 383.514 0.449 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000193174587 1196661814 /nfs/dbraw/zinc/66/18/14/1196661814.db2.gz MUDLDTNHKYBRCC-QGZVFWFLSA-N 1 1 383.452 0.871 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc[nH+]1 ZINC000525682933 1196699698 /nfs/dbraw/zinc/69/96/98/1196699698.db2.gz ZZOHMPDVKORQQF-UHFFFAOYSA-N 1 1 393.455 0.410 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000447421556 1196719057 /nfs/dbraw/zinc/71/90/57/1196719057.db2.gz GPTIQXODUDAYRU-UHFFFAOYSA-N 1 1 396.513 0.771 10 0 GCAEMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116165702 1196795594 /nfs/dbraw/zinc/79/55/94/1196795594.db2.gz WNGWRCXOEQOWJA-AZUAARDMSA-N 1 1 388.512 0.968 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCN(C(=O)C3CC3)CC2)C1 ZINC000121429154 1196960940 /nfs/dbraw/zinc/96/09/40/1196960940.db2.gz VQZYZKHVKHUIGC-SFHVURJKSA-N 1 1 380.533 0.404 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137819 1196972335 /nfs/dbraw/zinc/97/23/35/1196972335.db2.gz POYWFICYKMEHFA-CJNGLKHVSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137819 1196972337 /nfs/dbraw/zinc/97/23/37/1196972337.db2.gz POYWFICYKMEHFA-CJNGLKHVSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC12COC2 ZINC000451143020 1196972925 /nfs/dbraw/zinc/97/29/25/1196972925.db2.gz WVTUSUQXHNWRMN-OAHLLOKOSA-N 1 1 391.424 0.855 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC12COC2 ZINC000451143020 1196972928 /nfs/dbraw/zinc/97/29/28/1196972928.db2.gz WVTUSUQXHNWRMN-OAHLLOKOSA-N 1 1 391.424 0.855 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC12COC2 ZINC000451123019 1196973473 /nfs/dbraw/zinc/97/34/73/1196973473.db2.gz BGKYSUFDDCGRDR-SOUVJXGZSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC12COC2 ZINC000451123019 1196973476 /nfs/dbraw/zinc/97/34/76/1196973476.db2.gz BGKYSUFDDCGRDR-SOUVJXGZSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451132562 1196974113 /nfs/dbraw/zinc/97/41/13/1196974113.db2.gz IZFDSGHJXRVNOX-JTQLQIEISA-N 1 1 381.351 0.276 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccccc2COC)CC12COC2 ZINC000451130952 1196974216 /nfs/dbraw/zinc/97/42/16/1196974216.db2.gz GIZYXBUUZSEAIO-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2COC)CC12COC2 ZINC000451130952 1196974219 /nfs/dbraw/zinc/97/42/19/1196974219.db2.gz GIZYXBUUZSEAIO-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137567 1196974732 /nfs/dbraw/zinc/97/47/32/1196974732.db2.gz PJDNIDQBIRPXFV-GDBMZVCRSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451137567 1196974733 /nfs/dbraw/zinc/97/47/33/1196974733.db2.gz PJDNIDQBIRPXFV-GDBMZVCRSA-N 1 1 389.452 0.912 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CC12COC2 ZINC000451144795 1196975164 /nfs/dbraw/zinc/97/51/64/1196975164.db2.gz YEXMWNONZZJEGK-FUHWJXTLSA-N 1 1 392.452 0.896 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC12COC2 ZINC000451146157 1196975726 /nfs/dbraw/zinc/97/57/26/1196975726.db2.gz ZORGNVSQEPMZLC-OAHLLOKOSA-N 1 1 392.452 0.832 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC12COC2 ZINC000451146157 1196975727 /nfs/dbraw/zinc/97/57/27/1196975727.db2.gz ZORGNVSQEPMZLC-OAHLLOKOSA-N 1 1 392.452 0.832 10 0 GCAEMO CCOC(=O)CCCS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000530587288 1196998531 /nfs/dbraw/zinc/99/85/31/1196998531.db2.gz PQHCHKNAMIDFMS-UHFFFAOYSA-N 1 1 385.490 0.338 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC12COC2 ZINC000452617636 1197073003 /nfs/dbraw/zinc/07/30/03/1197073003.db2.gz UVYCINGDCVILJL-CQSZACIVSA-N 1 1 387.440 0.874 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000532172836 1197120437 /nfs/dbraw/zinc/12/04/37/1197120437.db2.gz QTHXICHGGXAMFJ-DLBZAZTESA-N 1 1 392.504 0.849 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532229064 1197128332 /nfs/dbraw/zinc/12/83/32/1197128332.db2.gz BSPXCFHCQLIVLP-UHFFFAOYSA-N 1 1 392.895 0.827 10 0 GCAEMO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000172243286 1197159931 /nfs/dbraw/zinc/15/99/31/1197159931.db2.gz HCPLHUSIPJRUEF-QGZVFWFLSA-N 1 1 380.533 0.546 10 0 GCAEMO COCCn1nc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)ccc1=O ZINC000172850210 1197174547 /nfs/dbraw/zinc/17/45/47/1197174547.db2.gz CMQPMJLPXVEILO-UHFFFAOYSA-N 1 1 391.516 0.570 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000173683226 1197178598 /nfs/dbraw/zinc/17/85/98/1197178598.db2.gz ZZPAZJFKZVMDBX-MJGOQNOKSA-N 1 1 391.564 0.960 10 0 GCAEMO Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)C2=O)cn1 ZINC000174058533 1197180012 /nfs/dbraw/zinc/18/00/12/1197180012.db2.gz GTJZDBGFCJMKNI-MOPGFXCFSA-N 1 1 382.464 0.757 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175715605 1197184210 /nfs/dbraw/zinc/18/42/10/1197184210.db2.gz HOQLKRNHQWSMFO-QZTJIDSGSA-N 1 1 391.564 0.962 10 0 GCAEMO Cn1cc(N2CCC[C@@H](NC(=O)N3CCC([N@@H+](C)CCCO)CC3)C2)cn1 ZINC000175723448 1197184234 /nfs/dbraw/zinc/18/42/34/1197184234.db2.gz JSWHJDFUMIOQKA-MRXNPFEDSA-N 1 1 378.521 0.877 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000175501393 1197185243 /nfs/dbraw/zinc/18/52/43/1197185243.db2.gz DQEZNLZFORVDNE-INIZCTEOSA-N 1 1 386.562 0.623 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000177174061 1197188473 /nfs/dbraw/zinc/18/84/73/1197188473.db2.gz RKOTUTZNASQMCE-HZPDHXFCSA-N 1 1 397.545 0.466 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183083711 1197208846 /nfs/dbraw/zinc/20/88/46/1197208846.db2.gz BDVYJPPBMRMTFE-QGZVFWFLSA-N 1 1 377.537 0.668 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cnccn3)CC2)C1 ZINC000192559137 1197247233 /nfs/dbraw/zinc/24/72/33/1197247233.db2.gz UNPCWJXCUXHEFZ-QGZVFWFLSA-N 1 1 376.505 0.072 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccnn3)CC2)C1 ZINC000170650051 1197254200 /nfs/dbraw/zinc/25/42/00/1197254200.db2.gz KFUZYQLMRUQWFX-QGZVFWFLSA-N 1 1 376.505 0.072 10 0 GCAEMO Cc1occc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000170777572 1197255771 /nfs/dbraw/zinc/25/57/71/1197255771.db2.gz SELGWWTWSGKYTP-ZDUSSCGKSA-N 1 1 390.484 0.908 10 0 GCAEMO C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128019876 1197362877 /nfs/dbraw/zinc/36/28/77/1197362877.db2.gz UYOCHRYGMNWTIJ-PMRDEQMMSA-N 1 1 386.562 0.762 10 0 GCAEMO O=C(CN1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699384 1197390773 /nfs/dbraw/zinc/39/07/73/1197390773.db2.gz KUWSPUYFBQGKSF-OALUTQOASA-N 1 1 383.533 0.609 10 0 GCAEMO COCc1nc2n(n1)C[C@H](NC(=O)CN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000137887725 1197392949 /nfs/dbraw/zinc/39/29/49/1197392949.db2.gz YBDGKTUCZMJETM-GOSISDBHSA-N 1 1 398.511 0.673 10 0 GCAEMO CC(C)CCOCCNC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533072319 1197430501 /nfs/dbraw/zinc/43/05/01/1197430501.db2.gz FLDGQQFSRJTDDX-UHFFFAOYSA-N 1 1 378.521 0.844 10 0 GCAEMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000533686533 1197466929 /nfs/dbraw/zinc/46/69/29/1197466929.db2.gz UBYVNAXZYGSVNJ-GOSISDBHSA-N 1 1 395.525 0.949 10 0 GCAEMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000533686533 1197466930 /nfs/dbraw/zinc/46/69/30/1197466930.db2.gz UBYVNAXZYGSVNJ-GOSISDBHSA-N 1 1 395.525 0.949 10 0 GCAEMO Cc1cc(C)n2nc(C(=O)N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)nc2n1 ZINC000066858900 1197467403 /nfs/dbraw/zinc/46/74/03/1197467403.db2.gz RHUPEOVEXPQFEG-UHFFFAOYSA-N 1 1 399.499 0.757 10 0 GCAEMO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066858751 1197467477 /nfs/dbraw/zinc/46/74/77/1197467477.db2.gz SKQRJUNRURDZHP-HNNXBMFYSA-N 1 1 390.484 0.801 10 0 GCAEMO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCCN2CCOCC2)CC1=O ZINC000246558907 1197472753 /nfs/dbraw/zinc/47/27/53/1197472753.db2.gz YYOPPUHTZFNSSH-ROUUACIJSA-N 1 1 380.533 0.548 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCCN2CCOCC2)CC1=O ZINC000246558907 1197472756 /nfs/dbraw/zinc/47/27/56/1197472756.db2.gz YYOPPUHTZFNSSH-ROUUACIJSA-N 1 1 380.533 0.548 10 0 GCAEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)[C@@H]2C1 ZINC000246980263 1197474654 /nfs/dbraw/zinc/47/46/54/1197474654.db2.gz SZGYRCWPYUAVRF-RBSFLKMASA-N 1 1 391.472 0.092 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@](C)(C(N)=O)c2ccccc2)C1 ZINC000249724639 1197483316 /nfs/dbraw/zinc/48/33/16/1197483316.db2.gz IRUMNCKVNHVQAA-YLJYHZDGSA-N 1 1 376.501 0.450 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000261945589 1197519976 /nfs/dbraw/zinc/51/99/76/1197519976.db2.gz KZRLOJBRFAKXMP-INIZCTEOSA-N 1 1 381.498 0.840 10 0 GCAEMO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)o1 ZINC000262084282 1197524096 /nfs/dbraw/zinc/52/40/96/1197524096.db2.gz XWYAKPFUXSJBJQ-ZDUSSCGKSA-N 1 1 379.438 0.983 10 0 GCAEMO Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000508724452 1197566771 /nfs/dbraw/zinc/56/67/71/1197566771.db2.gz RUZZFXPMBAFWGS-AWEZNQCLSA-N 1 1 377.470 0.406 10 0 GCAEMO Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000508724452 1197566775 /nfs/dbraw/zinc/56/67/75/1197566775.db2.gz RUZZFXPMBAFWGS-AWEZNQCLSA-N 1 1 377.470 0.406 10 0 GCAEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993683 1198960734 /nfs/dbraw/zinc/96/07/34/1198960734.db2.gz LJQGIMIBUOCENJ-DLBZAZTESA-N 1 1 378.517 0.981 10 0 GCAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993683 1198960738 /nfs/dbraw/zinc/96/07/38/1198960738.db2.gz LJQGIMIBUOCENJ-DLBZAZTESA-N 1 1 378.517 0.981 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542896911 1199144122 /nfs/dbraw/zinc/14/41/22/1199144122.db2.gz XPGJEIFZFCYPNZ-KRWDZBQOSA-N 1 1 385.468 0.858 10 0 GCAEMO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000172714849 1199158461 /nfs/dbraw/zinc/15/84/61/1199158461.db2.gz FXPUYULPGGHQEM-SFHVURJKSA-N 1 1 397.479 0.431 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000672223527 1199163837 /nfs/dbraw/zinc/16/38/37/1199163837.db2.gz QNRHNVOPZFNKHC-CABCVRRESA-N 1 1 379.530 0.867 10 0 GCAEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000270282104 1199174750 /nfs/dbraw/zinc/17/47/50/1199174750.db2.gz VNIRWXSMBJCEQI-GASCZTMLSA-N 1 1 381.498 0.872 10 0 GCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000270282104 1199174754 /nfs/dbraw/zinc/17/47/54/1199174754.db2.gz VNIRWXSMBJCEQI-GASCZTMLSA-N 1 1 381.498 0.872 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)CC2 ZINC000672418892 1199232057 /nfs/dbraw/zinc/23/20/57/1199232057.db2.gz RTLBBNZWEZJPAV-XHSDSOJGSA-N 1 1 388.516 0.775 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000672419523 1199233002 /nfs/dbraw/zinc/23/30/02/1199233002.db2.gz SLFRHAPLMHTPCE-ARFHVFGLSA-N 1 1 388.516 0.775 10 0 GCAEMO C[N@@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C[C@H]1Cc1ccccc1 ZINC000672815532 1199342964 /nfs/dbraw/zinc/34/29/64/1199342964.db2.gz RHWOWOHPSRLJCR-GOSISDBHSA-N 1 1 394.541 0.980 10 0 GCAEMO C[N@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C[C@H]1Cc1ccccc1 ZINC000672815532 1199342965 /nfs/dbraw/zinc/34/29/65/1199342965.db2.gz RHWOWOHPSRLJCR-GOSISDBHSA-N 1 1 394.541 0.980 10 0 GCAEMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000672855446 1199353700 /nfs/dbraw/zinc/35/37/00/1199353700.db2.gz YMVRMIIATOOLCC-PXNSSMCTSA-N 1 1 379.501 0.918 10 0 GCAEMO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)cn1 ZINC000672890281 1199361782 /nfs/dbraw/zinc/36/17/82/1199361782.db2.gz KNHRNTLYWWXJRH-NUJGCVRESA-N 1 1 388.516 0.448 10 0 GCAEMO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1N1CCOCC1 ZINC000673123212 1199430666 /nfs/dbraw/zinc/43/06/66/1199430666.db2.gz QWLILPRQEVTPOM-VGUREELVSA-N 1 1 378.517 0.297 10 0 GCAEMO COc1ccc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000116776737 1199634405 /nfs/dbraw/zinc/63/44/05/1199634405.db2.gz WEXAYYUVXVMONU-KRWDZBQOSA-N 1 1 390.484 0.484 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000625649959 1200120042 /nfs/dbraw/zinc/12/00/42/1200120042.db2.gz PXVPMASZBJFBPC-INIZCTEOSA-N 1 1 395.548 0.034 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000171280075 1200205680 /nfs/dbraw/zinc/20/56/80/1200205680.db2.gz GVZRSYLSRXYPOD-CYBMUJFWSA-N 1 1 382.486 0.266 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675651829 1200449011 /nfs/dbraw/zinc/44/90/11/1200449011.db2.gz LHJNBEOKHWZJPT-HOTGVXAUSA-N 1 1 388.534 0.355 10 0 GCAEMO CN(CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(Cl)cn1 ZINC000675917169 1200468376 /nfs/dbraw/zinc/46/83/76/1200468376.db2.gz YHBMRPKMJNNJMN-OAHLLOKOSA-N 1 1 379.892 0.936 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC12COC2 ZINC000454539335 1200934678 /nfs/dbraw/zinc/93/46/78/1200934678.db2.gz UNVJIFAODJVLNG-OAHLLOKOSA-N 1 1 376.457 1.413 10 0 GCAEMO O=C(CN1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1)N1CCCCCC1 ZINC000105167430 1201252604 /nfs/dbraw/zinc/25/26/04/1201252604.db2.gz WYUYEPXPMSGMQX-RTBURBONSA-N 1 1 383.533 0.563 10 0 GCAEMO CN1CC[N@@H+](C)CC(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000823783774 1201608918 /nfs/dbraw/zinc/60/89/18/1201608918.db2.gz MLGXQMYXEUGSIL-UHFFFAOYSA-N 1 1 397.317 0.789 10 0 GCAEMO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000827720754 1201707426 /nfs/dbraw/zinc/70/74/26/1201707426.db2.gz HIAQCZIRXSRSHM-BBWFWOEESA-N 1 1 385.530 0.656 10 0 GCAEMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000828697011 1201719310 /nfs/dbraw/zinc/71/93/10/1201719310.db2.gz CPYHLGBDJAZLFW-MRXNPFEDSA-N 1 1 395.257 0.716 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000737214229 1201723906 /nfs/dbraw/zinc/72/39/06/1201723906.db2.gz DNXOERYRNKXZIS-RXBISOJRSA-N 1 1 381.498 0.903 10 0 GCAEMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000741604436 1201781125 /nfs/dbraw/zinc/78/11/25/1201781125.db2.gz DBRQTCGPQPCTFB-IUODEOHRSA-N 1 1 376.482 0.958 10 0 GCAEMO CC[S@](=O)CCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000743127668 1201813027 /nfs/dbraw/zinc/81/30/27/1201813027.db2.gz HVJKKIVGTJCIAV-MHZLTWQESA-N 1 1 396.513 0.973 10 0 GCAEMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCOC[C@H]3CCO)CC2)cc1 ZINC000767598838 1201980081 /nfs/dbraw/zinc/98/00/81/1201980081.db2.gz GXXYYBKZCRZRSW-LJQANCHMSA-N 1 1 391.512 0.813 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cn1 ZINC000768725397 1202028058 /nfs/dbraw/zinc/02/80/58/1202028058.db2.gz RKKTXNCKXNFETD-UHFFFAOYSA-N 1 1 382.428 0.485 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000768725397 1202028060 /nfs/dbraw/zinc/02/80/60/1202028060.db2.gz RKKTXNCKXNFETD-UHFFFAOYSA-N 1 1 382.428 0.485 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787623571 1205395492 /nfs/dbraw/zinc/39/54/92/1205395492.db2.gz AOUGQEBSWFPGRX-AREMUKBSSA-N 1 1 379.526 0.824 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787623571 1205395496 /nfs/dbraw/zinc/39/54/96/1205395496.db2.gz AOUGQEBSWFPGRX-AREMUKBSSA-N 1 1 379.526 0.824 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)CN1CC[NH+](C)CC1 ZINC000790192281 1205458255 /nfs/dbraw/zinc/45/82/55/1205458255.db2.gz VUFKNCLUAHLQJQ-KSSFIOAISA-N 1 1 392.931 0.923 10 0 GCAEMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)CN2CCOCC2=O)CC1 ZINC000790742034 1205471056 /nfs/dbraw/zinc/47/10/56/1205471056.db2.gz RMGVSLIDLIFCCW-UHFFFAOYSA-N 1 1 389.452 0.041 10 0 GCAEMO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792303157 1205486244 /nfs/dbraw/zinc/48/62/44/1205486244.db2.gz ZIONCNCZRHTWBZ-AWEZNQCLSA-N 1 1 379.482 0.942 10 0 GCAEMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000793808630 1205506267 /nfs/dbraw/zinc/50/62/67/1205506267.db2.gz KQIBKLPRNWMBJA-HNNXBMFYSA-N 1 1 389.481 0.518 10 0 GCAEMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)C1 ZINC000804899780 1205527920 /nfs/dbraw/zinc/52/79/20/1205527920.db2.gz IQHIDUKTQQVJNN-KGLIPLIRSA-N 1 1 378.477 0.142 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000805606743 1205540454 /nfs/dbraw/zinc/54/04/54/1205540454.db2.gz MFBWRPAYFNLNMC-YHAMSUFESA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805606743 1205540455 /nfs/dbraw/zinc/54/04/55/1205540455.db2.gz MFBWRPAYFNLNMC-YHAMSUFESA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000805606418 1205540496 /nfs/dbraw/zinc/54/04/96/1205540496.db2.gz ILDJUUXCZWSIEJ-NIYFSFCBSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[S@@](=O)CC ZINC000805608662 1205540966 /nfs/dbraw/zinc/54/09/66/1205540966.db2.gz GHRUTNBWPMVXKQ-SOKVYYICSA-N 1 1 394.541 0.779 10 0 GCAEMO CC(=O)N/C(=C/c1cccs1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000817547941 1205850716 /nfs/dbraw/zinc/85/07/16/1205850716.db2.gz UQSPHVIJXBISCZ-DTQAZKPQSA-N 1 1 378.498 0.848 10 0 GCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H](C)C1 ZINC000150797080 530310443 /nfs/dbraw/zinc/31/04/43/530310443.db2.gz OQHIEWIJNXNOGV-GWCFXTLKSA-N 1 1 399.289 0.931 10 0 GCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000177172666 530361776 /nfs/dbraw/zinc/36/17/76/530361776.db2.gz DBEWRHPSTBFXEY-LLVKDONJSA-N 1 1 396.245 0.495 10 0 GCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@@H](C)C1 ZINC000179868905 530368153 /nfs/dbraw/zinc/36/81/53/530368153.db2.gz OJODOKXZBBQOKR-GWCFXTLKSA-N 1 1 399.289 0.931 10 0 GCAEMO C[C@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000172057344 530350712 /nfs/dbraw/zinc/35/07/12/530350712.db2.gz AOFNTJSDLQWVDO-TZMCWYRMSA-N 1 1 386.543 0.828 10 0 GCAEMO C[C@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000172057344 530350715 /nfs/dbraw/zinc/35/07/15/530350715.db2.gz AOFNTJSDLQWVDO-TZMCWYRMSA-N 1 1 386.543 0.828 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193489130 530393735 /nfs/dbraw/zinc/39/37/35/530393735.db2.gz PWODKEMASLVWJI-LBPRGKRZSA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000408234991 530490959 /nfs/dbraw/zinc/49/09/59/530490959.db2.gz GQEVJGIIVOOBED-CVEARBPZSA-N 1 1 375.535 0.965 10 0 GCAEMO C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)CO1 ZINC000408234992 530490999 /nfs/dbraw/zinc/49/09/99/530490999.db2.gz GQEVJGIIVOOBED-HOTGVXAUSA-N 1 1 375.535 0.965 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1F ZINC000571047900 530516416 /nfs/dbraw/zinc/51/64/16/530516416.db2.gz RWUSKKAZWVEKOH-ZDUSSCGKSA-N 1 1 378.372 0.868 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000250399583 530550041 /nfs/dbraw/zinc/55/00/41/530550041.db2.gz YZMMZQILEGKUJC-YESZJQIVSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000250399583 530550042 /nfs/dbraw/zinc/55/00/42/530550042.db2.gz YZMMZQILEGKUJC-YESZJQIVSA-N 1 1 376.567 0.688 10 0 GCAEMO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000266144312 530607722 /nfs/dbraw/zinc/60/77/22/530607722.db2.gz DGYIZYPZFPMPQM-CHWSQXEVSA-N 1 1 375.516 0.698 10 0 GCAEMO C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000333306223 530657245 /nfs/dbraw/zinc/65/72/45/530657245.db2.gz IHWAQSYKPZPLME-XHSDSOJGSA-N 1 1 375.535 0.964 10 0 GCAEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000376046425 530809722 /nfs/dbraw/zinc/80/97/22/530809722.db2.gz ZIVKAFZXDGDWQH-ZFWWWQNUSA-N 1 1 375.535 0.662 10 0 GCAEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000376046422 530809858 /nfs/dbraw/zinc/80/98/58/530809858.db2.gz ZIVKAFZXDGDWQH-DZGCQCFKSA-N 1 1 375.535 0.662 10 0 GCAEMO O=C(c1ccc(I)c(O)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405683403 530820214 /nfs/dbraw/zinc/82/02/14/530820214.db2.gz MQLAYJXOTWHBMA-WDEREUQCSA-N 1 1 388.205 0.888 10 0 GCAEMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181337773 530853406 /nfs/dbraw/zinc/85/34/06/530853406.db2.gz DTEXFQMEIXZFDE-YPMHNXCESA-N 1 1 383.499 0.322 10 0 GCAEMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000285071633 530985219 /nfs/dbraw/zinc/98/52/19/530985219.db2.gz PBANVZDWCYCLET-CYBMUJFWSA-N 1 1 389.193 0.152 10 0 GCAEMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000285071633 530985223 /nfs/dbraw/zinc/98/52/23/530985223.db2.gz PBANVZDWCYCLET-CYBMUJFWSA-N 1 1 389.193 0.152 10 0 GCAEMO [NH3+]Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1 ZINC000262228444 530995124 /nfs/dbraw/zinc/99/51/24/530995124.db2.gz NOACLCINORGMTR-UHFFFAOYSA-N 1 1 377.879 0.750 10 0 GCAEMO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000107301859 531036152 /nfs/dbraw/zinc/03/61/52/531036152.db2.gz MNTACAPVUGXDTO-NEPJUHHUSA-N 1 1 386.440 0.292 10 0 GCAEMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000107301859 531036155 /nfs/dbraw/zinc/03/61/55/531036155.db2.gz MNTACAPVUGXDTO-NEPJUHHUSA-N 1 1 386.440 0.292 10 0 GCAEMO CN(CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1 ZINC000675144549 531130314 /nfs/dbraw/zinc/13/03/14/531130314.db2.gz PRFXICPPXXOUMK-CQSZACIVSA-N 1 1 388.921 0.749 10 0 GCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245921383 531132273 /nfs/dbraw/zinc/13/22/73/531132273.db2.gz MNTACAPVUGXDTO-NWDGAFQWSA-N 1 1 386.440 0.292 10 0 GCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245921383 531132275 /nfs/dbraw/zinc/13/22/75/531132275.db2.gz MNTACAPVUGXDTO-NWDGAFQWSA-N 1 1 386.440 0.292 10 0 GCAEMO CC[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000552880630 531146747 /nfs/dbraw/zinc/14/67/47/531146747.db2.gz ODIXBGLSFLDWPO-JKSUJKDBSA-N 1 1 375.535 0.664 10 0 GCAEMO CC[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000552880630 531146749 /nfs/dbraw/zinc/14/67/49/531146749.db2.gz ODIXBGLSFLDWPO-JKSUJKDBSA-N 1 1 375.535 0.664 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000253355365 531162515 /nfs/dbraw/zinc/16/25/15/531162515.db2.gz ARAFGMQAUPGRNM-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000253355365 531162517 /nfs/dbraw/zinc/16/25/17/531162517.db2.gz ARAFGMQAUPGRNM-QWRGUYRKSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000253355364 531162540 /nfs/dbraw/zinc/16/25/40/531162540.db2.gz ARAFGMQAUPGRNM-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000253355364 531162542 /nfs/dbraw/zinc/16/25/42/531162542.db2.gz ARAFGMQAUPGRNM-MNOVXSKESA-N 1 1 385.262 0.696 10 0 GCAEMO CCC[N@H+]1CCCn2nc(CNC(=O)C3CCN(CC(N)=O)CC3)cc2C1 ZINC000082096986 208080724 /nfs/dbraw/zinc/08/07/24/208080724.db2.gz RUBIYOHNTOCFFA-UHFFFAOYSA-N 1 1 376.505 0.312 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C[N@@H+]1C1CCOCC1 ZINC000097743676 208361788 /nfs/dbraw/zinc/36/17/88/208361788.db2.gz LYHLVVOWQTYQHP-YOEHRIQHSA-N 1 1 375.473 0.581 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C[N@H+]1C1CCOCC1 ZINC000097743676 208361794 /nfs/dbraw/zinc/36/17/94/208361794.db2.gz LYHLVVOWQTYQHP-YOEHRIQHSA-N 1 1 375.473 0.581 10 0 GCAEMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCc1cnccn1 ZINC000012430953 221191664 /nfs/dbraw/zinc/19/16/64/221191664.db2.gz JAOIHLWCNABHCQ-LJQANCHMSA-N 1 1 379.464 0.493 10 0 GCAEMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCc1cnccn1 ZINC000012430953 221191669 /nfs/dbraw/zinc/19/16/69/221191669.db2.gz JAOIHLWCNABHCQ-LJQANCHMSA-N 1 1 379.464 0.493 10 0 GCAEMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(N)n[nH]2)C[N@H+]1C1CCOCC1 ZINC000095521237 222345436 /nfs/dbraw/zinc/34/54/36/222345436.db2.gz XRCPKBUHBXHYQG-WFASDCNBSA-N 1 1 378.477 0.212 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)COc2ccccc2)C[N@H+]1C1CCOCC1 ZINC000096140568 222388084 /nfs/dbraw/zinc/38/80/84/222388084.db2.gz DPJWHTSTRDBEOA-YJBOKZPZSA-N 1 1 375.469 0.940 10 0 GCAEMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@H+]1C1CCOCC1 ZINC000096147884 222389801 /nfs/dbraw/zinc/38/98/01/222389801.db2.gz XQOZSOFHOQYMCE-PBHICJAKSA-N 1 1 375.473 0.697 10 0 GCAEMO NC(=O)C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 ZINC000219731042 570374415 /nfs/dbraw/zinc/37/44/15/570374415.db2.gz KXFPADMJDXOLJG-SJORKVTESA-N 1 1 379.432 0.676 10 0 GCAEMO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(C)(C)S(C)(=O)=O ZINC000764445577 640646210 /nfs/dbraw/zinc/64/62/10/640646210.db2.gz FPXKABQGLUFPEE-UHFFFAOYSA-N 1 1 391.515 0.418 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000803219600 642172608 /nfs/dbraw/zinc/17/26/08/642172608.db2.gz URJMZIVOXOYOAK-HWRSSNJWSA-N 1 1 385.555 0.961 10 0 GCAEMO C[N@@H+](CCCNC(=O)C(=O)NCc1nnc2ccccn21)Cc1ccccc1 ZINC000549801319 1192886147 /nfs/dbraw/zinc/88/61/47/1192886147.db2.gz TUNXYYYCLMTCEC-UHFFFAOYSA-N 1 1 380.452 0.984 10 0 GCAEMO O=C(CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1)N1CCOCC1 ZINC000408422881 1192883139 /nfs/dbraw/zinc/88/31/39/1192883139.db2.gz UYRKNAVIRNPKCO-GOSISDBHSA-N 1 1 378.517 0.396 10 0 GCAEMO CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000332820002 1192904770 /nfs/dbraw/zinc/90/47/70/1192904770.db2.gz ILTMCEIHJLSMBY-GVDBMIGSSA-N 1 1 399.557 0.650 10 0 GCAEMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332823721 1192905218 /nfs/dbraw/zinc/90/52/18/1192905218.db2.gz GADCLCKJJSCDQF-SJORKVTESA-N 1 1 378.517 0.838 10 0 GCAEMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332823721 1192905221 /nfs/dbraw/zinc/90/52/21/1192905221.db2.gz GADCLCKJJSCDQF-SJORKVTESA-N 1 1 378.517 0.838 10 0 GCAEMO C[C@@H]1CN(C(=O)NCc2cccc(N3CCOCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000547708811 1184385582 /nfs/dbraw/zinc/38/55/82/1184385582.db2.gz AMUBIXPAKKXQTO-MRXNPFEDSA-N 1 1 391.516 0.905 10 0 GCAEMO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510174208 1184591317 /nfs/dbraw/zinc/59/13/17/1184591317.db2.gz FJIXJVWQTOYWPX-UKRRQHHQSA-N 1 1 388.534 0.652 10 0 GCAEMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510231611 1184628291 /nfs/dbraw/zinc/62/82/91/1184628291.db2.gz YJEHMUADDJCPOO-ZDUSSCGKSA-N 1 1 388.534 0.795 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000510230342 1184630689 /nfs/dbraw/zinc/63/06/89/1184630689.db2.gz SQYJOWLBKSFVBR-UHFFFAOYSA-N 1 1 387.477 0.582 10 0 GCAEMO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510268828 1184710331 /nfs/dbraw/zinc/71/03/31/1184710331.db2.gz OXLAWPUVPYEJPR-RDJZCZTQSA-N 1 1 389.562 0.959 10 0 GCAEMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000608866913 1184782342 /nfs/dbraw/zinc/78/23/42/1184782342.db2.gz BGLBNMNMUKUJBB-AWEZNQCLSA-N 1 1 383.470 0.339 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000547982183 1184867391 /nfs/dbraw/zinc/86/73/91/1184867391.db2.gz SXXDOKBMBZJAES-OAQYLSRUSA-N 1 1 389.496 0.719 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(c3nccs3)CC1)c(=O)n2C ZINC000122901188 1184915234 /nfs/dbraw/zinc/91/52/34/1184915234.db2.gz BRKZJYLZOADBDE-UHFFFAOYSA-N 1 1 389.485 0.103 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000467073153 1184987564 /nfs/dbraw/zinc/98/75/64/1184987564.db2.gz FHQDUNBHXAXSSZ-NHYWBVRUSA-N 1 1 380.470 0.132 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc21 ZINC000683872327 1185163414 /nfs/dbraw/zinc/16/34/14/1185163414.db2.gz CNHUZIUSARUOJI-SJLPKXTDSA-N 1 1 398.463 0.535 10 0 GCAEMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nnc3ccccn32)C[C@H](C)O1 ZINC000580585714 1185280980 /nfs/dbraw/zinc/28/09/80/1185280980.db2.gz SCXURGXKLMGQNM-KBPBESRZSA-N 1 1 388.472 0.350 10 0 GCAEMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nnc3ccccn32)C[C@H](C)O1 ZINC000580585715 1185281251 /nfs/dbraw/zinc/28/12/51/1185281251.db2.gz SCXURGXKLMGQNM-OKILXGFUSA-N 1 1 388.472 0.350 10 0 GCAEMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nnc3ccccn32)C[C@H](C)O1 ZINC000580585715 1185281254 /nfs/dbraw/zinc/28/12/54/1185281254.db2.gz SCXURGXKLMGQNM-OKILXGFUSA-N 1 1 388.472 0.350 10 0 GCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000255329495 1185794256 /nfs/dbraw/zinc/79/42/56/1185794256.db2.gz OAFDUHGGFUTNSZ-INIZCTEOSA-N 1 1 388.516 0.455 10 0 GCAEMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@](C)(O)Cn3ccccc3=O)cc2)CC1 ZINC000548388057 1186036330 /nfs/dbraw/zinc/03/63/30/1186036330.db2.gz CRIQKIXWNHYIJF-OAQYLSRUSA-N 1 1 398.463 0.626 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000458140384 1186207899 /nfs/dbraw/zinc/20/78/99/1186207899.db2.gz NGOGSQVFOCWPGA-JKSUJKDBSA-N 1 1 379.411 0.913 10 0 GCAEMO CC(=O)N[C@](C)(C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000684681325 1186328157 /nfs/dbraw/zinc/32/81/57/1186328157.db2.gz FBZYUYCNBALTHO-YJBOKZPZSA-N 1 1 381.498 0.652 10 0 GCAEMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548717418 1186482354 /nfs/dbraw/zinc/48/23/54/1186482354.db2.gz PIFVBTHGRIVWOR-LVCYWYKZSA-N 1 1 390.528 0.616 10 0 GCAEMO CC[N@H+](CCc1nccs1)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000159149762 1186559512 /nfs/dbraw/zinc/55/95/12/1186559512.db2.gz ZXNNKQKHEQEIJG-UHFFFAOYSA-N 1 1 393.513 0.989 10 0 GCAEMO CC[N@@H+](CCc1nccs1)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000159149762 1186559515 /nfs/dbraw/zinc/55/95/15/1186559515.db2.gz ZXNNKQKHEQEIJG-UHFFFAOYSA-N 1 1 393.513 0.989 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000582620150 1186587347 /nfs/dbraw/zinc/58/73/47/1186587347.db2.gz NXXGHIDIZFVDBV-HIFRSBDPSA-N 1 1 381.448 0.927 10 0 GCAEMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673992 1186594177 /nfs/dbraw/zinc/59/41/77/1186594177.db2.gz QHUMULPARGONMW-INIZCTEOSA-N 1 1 397.497 0.914 10 0 GCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000255518432 1186604520 /nfs/dbraw/zinc/60/45/20/1186604520.db2.gz GXMLZVMTZVNLGQ-RDJZCZTQSA-N 1 1 388.516 0.453 10 0 GCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000255518432 1186604522 /nfs/dbraw/zinc/60/45/22/1186604522.db2.gz GXMLZVMTZVNLGQ-RDJZCZTQSA-N 1 1 388.516 0.453 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)c3ccsc3)CC2)CC1 ZINC000066932159 1186614082 /nfs/dbraw/zinc/61/40/82/1186614082.db2.gz XWRHLWDNDLIFTI-UHFFFAOYSA-N 1 1 392.525 0.881 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000075635985 1186631162 /nfs/dbraw/zinc/63/11/62/1186631162.db2.gz YKRCTIZGCYVCHY-QGZVFWFLSA-N 1 1 382.549 0.650 10 0 GCAEMO O=C(CN1CC[NH+](C2CC2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000126067859 1186828974 /nfs/dbraw/zinc/82/89/74/1186828974.db2.gz ZEOFBULGWMPBEW-UHFFFAOYSA-N 1 1 392.525 0.300 10 0 GCAEMO CC[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561860372 1186905835 /nfs/dbraw/zinc/90/58/35/1186905835.db2.gz GMNTXDQGZMDTQS-MOPGFXCFSA-N 1 1 399.495 0.832 10 0 GCAEMO CC[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561860372 1186905836 /nfs/dbraw/zinc/90/58/36/1186905836.db2.gz GMNTXDQGZMDTQS-MOPGFXCFSA-N 1 1 399.495 0.832 10 0 GCAEMO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000163417354 1186925511 /nfs/dbraw/zinc/92/55/11/1186925511.db2.gz VRMFMHVZUPLRKJ-WMZOPIPTSA-N 1 1 376.501 0.953 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)[C@H]2C1 ZINC000329371604 1186925989 /nfs/dbraw/zinc/92/59/89/1186925989.db2.gz JAKRDLUJYDCQKX-LSDHHAIUSA-N 1 1 378.473 0.767 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC12COC2 ZINC000458740549 1186969986 /nfs/dbraw/zinc/96/99/86/1186969986.db2.gz YIRVNGKFQCXADR-HOTGVXAUSA-N 1 1 383.489 0.708 10 0 GCAEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)[C@H]2C1 ZINC000158397954 1186973073 /nfs/dbraw/zinc/97/30/73/1186973073.db2.gz SZGYRCWPYUAVRF-QLFBSQMISA-N 1 1 391.472 0.092 10 0 GCAEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000151297470 1186974485 /nfs/dbraw/zinc/97/44/85/1186974485.db2.gz JEDZTHTVQIOVGQ-QGZVFWFLSA-N 1 1 388.516 0.896 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@@H+]1C ZINC000329727768 1187019827 /nfs/dbraw/zinc/01/98/27/1187019827.db2.gz OWONGBVPXXAGLA-YPMHNXCESA-N 1 1 390.469 0.653 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@H+]1C ZINC000329727768 1187019832 /nfs/dbraw/zinc/01/98/32/1187019832.db2.gz OWONGBVPXXAGLA-YPMHNXCESA-N 1 1 390.469 0.653 10 0 GCAEMO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@@H+]1C ZINC000329727767 1187019998 /nfs/dbraw/zinc/01/99/98/1187019998.db2.gz OWONGBVPXXAGLA-WCQYABFASA-N 1 1 390.469 0.653 10 0 GCAEMO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@H+]1C ZINC000329727767 1187020003 /nfs/dbraw/zinc/02/00/03/1187020003.db2.gz OWONGBVPXXAGLA-WCQYABFASA-N 1 1 390.469 0.653 10 0 GCAEMO c1cnc(-c2nnc(N3CC[NH+]([C@H]4CCOC4)CC3)n2C[C@@H]2CCCO2)nc1 ZINC000611877735 1187075577 /nfs/dbraw/zinc/07/55/77/1187075577.db2.gz AQPFGYOLEACLMC-HOTGVXAUSA-N 1 1 385.472 0.825 10 0 GCAEMO Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000299361841 1187435331 /nfs/dbraw/zinc/43/53/31/1187435331.db2.gz PDBMNFIUYCECKD-UHFFFAOYSA-N 1 1 393.509 0.936 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000626165042 1187556933 /nfs/dbraw/zinc/55/69/33/1187556933.db2.gz AHSKKSCJXUULKP-UHFFFAOYSA-N 1 1 389.500 0.848 10 0 GCAEMO C(C1CC1)n1c([C@H]2COCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000612886735 1187610468 /nfs/dbraw/zinc/61/04/68/1187610468.db2.gz NEZPTYZMKLYLBR-DLBZAZTESA-N 1 1 377.489 0.935 10 0 GCAEMO C(C1CC1)n1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000612886737 1187610559 /nfs/dbraw/zinc/61/05/59/1187610559.db2.gz NEZPTYZMKLYLBR-IRXDYDNUSA-N 1 1 377.489 0.935 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000376113681 1187612310 /nfs/dbraw/zinc/61/23/10/1187612310.db2.gz LWAUZGRPAKMXNE-HNNXBMFYSA-N 1 1 376.505 0.720 10 0 GCAEMO C[C@H]([C@H](C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N1CCOCC1 ZINC000247035113 1187701762 /nfs/dbraw/zinc/70/17/62/1187701762.db2.gz DZFJBQMFUVTTDD-IPMKNSEASA-N 1 1 381.565 0.907 10 0 GCAEMO CCc1cc(NC(=O)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000173377969 1187723640 /nfs/dbraw/zinc/72/36/40/1187723640.db2.gz IKVDNRUGDOJWGQ-UHFFFAOYSA-N 1 1 390.532 0.988 10 0 GCAEMO CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549073971 1187848833 /nfs/dbraw/zinc/84/88/33/1187848833.db2.gz NPNIFAAVFXIOGO-CYBMUJFWSA-N 1 1 376.486 0.810 10 0 GCAEMO CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549073971 1187848837 /nfs/dbraw/zinc/84/88/37/1187848837.db2.gz NPNIFAAVFXIOGO-CYBMUJFWSA-N 1 1 376.486 0.810 10 0 GCAEMO CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549073972 1187849046 /nfs/dbraw/zinc/84/90/46/1187849046.db2.gz NPNIFAAVFXIOGO-ZDUSSCGKSA-N 1 1 376.486 0.810 10 0 GCAEMO CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549073972 1187849050 /nfs/dbraw/zinc/84/90/50/1187849050.db2.gz NPNIFAAVFXIOGO-ZDUSSCGKSA-N 1 1 376.486 0.810 10 0 GCAEMO CCc1nc(C[NH+]2CCC(CNC(=O)CN3CCOCC3=O)CC2)cs1 ZINC000376551970 1187923657 /nfs/dbraw/zinc/92/36/57/1187923657.db2.gz BWPBCWIOPQRECN-UHFFFAOYSA-N 1 1 380.514 0.893 10 0 GCAEMO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(=O)N2CCNC2=O)n1 ZINC000328655637 1188126884 /nfs/dbraw/zinc/12/68/84/1188126884.db2.gz YPAKDWVZJHVGAT-STQMWFEESA-N 1 1 379.440 0.147 10 0 GCAEMO CC(C)(C)OC(=O)c1cnc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000549339968 1188143308 /nfs/dbraw/zinc/14/33/08/1188143308.db2.gz PWPFWFIAKRLBPC-CYBMUJFWSA-N 1 1 391.472 0.749 10 0 GCAEMO CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549505646 1189817597 /nfs/dbraw/zinc/81/75/97/1189817597.db2.gz LJIIQQALMFRLOG-OAHLLOKOSA-N 1 1 391.497 0.889 10 0 GCAEMO CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549505646 1189817605 /nfs/dbraw/zinc/81/76/05/1189817605.db2.gz LJIIQQALMFRLOG-OAHLLOKOSA-N 1 1 391.497 0.889 10 0 GCAEMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000408156800 1189975557 /nfs/dbraw/zinc/97/55/57/1189975557.db2.gz COCWOFJONGBGOW-UHFFFAOYSA-N 1 1 396.451 0.923 10 0 GCAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)CC1 ZINC000333214261 1193862588 /nfs/dbraw/zinc/86/25/88/1193862588.db2.gz UOABNSVUHHZDBD-UHFFFAOYSA-N 1 1 378.517 0.648 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CC3(CS(C)(=O)=O)CC3)CC2)cc[nH+]1 ZINC000473505995 1193892647 /nfs/dbraw/zinc/89/26/47/1193892647.db2.gz COSNCMUEGZVENU-UHFFFAOYSA-N 1 1 381.502 0.406 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000513440773 1193952339 /nfs/dbraw/zinc/95/23/39/1193952339.db2.gz TXVXOKLGOSQNIF-MRXNPFEDSA-N 1 1 396.513 0.267 10 0 GCAEMO CC(=O)N[C@@](C)(C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000280639364 1194011411 /nfs/dbraw/zinc/01/14/11/1194011411.db2.gz VDKDCLWOPJCGHM-LJQANCHMSA-N 1 1 393.509 0.748 10 0 GCAEMO C[C@@H]1CCc2nc(NC(=O)C(=O)NCCC[NH+]3CCN(C)CC3)sc2C1 ZINC000434683700 1194860654 /nfs/dbraw/zinc/86/06/54/1194860654.db2.gz FITFAGORTVJAKP-CYBMUJFWSA-N 1 1 379.530 0.960 10 0 GCAEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000366606514 1194867790 /nfs/dbraw/zinc/86/77/90/1194867790.db2.gz AYUATBGMYJBEFC-KRWDZBQOSA-N 1 1 396.532 0.766 10 0 GCAEMO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000434797578 1194869382 /nfs/dbraw/zinc/86/93/82/1194869382.db2.gz YYCBYPACYPPIPT-LJQANCHMSA-N 1 1 389.431 0.148 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434791324 1194870335 /nfs/dbraw/zinc/87/03/35/1194870335.db2.gz CAKTXDZXKFXWMF-KUHUBIRLSA-N 1 1 391.424 0.312 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434791324 1194870337 /nfs/dbraw/zinc/87/03/37/1194870337.db2.gz CAKTXDZXKFXWMF-KUHUBIRLSA-N 1 1 391.424 0.312 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434791325 1194870475 /nfs/dbraw/zinc/87/04/75/1194870475.db2.gz CAKTXDZXKFXWMF-LIRRHRJNSA-N 1 1 391.424 0.312 10 0 GCAEMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434791325 1194870477 /nfs/dbraw/zinc/87/04/77/1194870477.db2.gz CAKTXDZXKFXWMF-LIRRHRJNSA-N 1 1 391.424 0.312 10 0 GCAEMO CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1O ZINC000435256707 1194907255 /nfs/dbraw/zinc/90/72/55/1194907255.db2.gz PXGSAUYOLKNTLN-IAGOWNOFSA-N 1 1 392.504 0.607 10 0 GCAEMO COCc1noc(CN2CCN(C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)n1 ZINC000436396661 1195002220 /nfs/dbraw/zinc/00/22/20/1195002220.db2.gz ZIQJGGUZTYKULH-UHFFFAOYSA-N 1 1 378.477 0.695 10 0 GCAEMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000549990441 1195110120 /nfs/dbraw/zinc/11/01/20/1195110120.db2.gz ATYULVLQCGUDPC-HZPDHXFCSA-N 1 1 376.457 0.076 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000438784916 1195248921 /nfs/dbraw/zinc/24/89/21/1195248921.db2.gz ULRKKNNMCCGPOT-QLFBSQMISA-N 1 1 392.504 1.072 10 0 GCAEMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000438784916 1195248924 /nfs/dbraw/zinc/24/89/24/1195248924.db2.gz ULRKKNNMCCGPOT-QLFBSQMISA-N 1 1 392.504 1.072 10 0 GCAEMO COc1c(F)cc(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000518209603 1195267631 /nfs/dbraw/zinc/26/76/31/1195267631.db2.gz WINISPDZEMKBMK-NSHDSACASA-N 1 1 385.461 0.625 10 0 GCAEMO CCNC(=O)CC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506642889 1195340008 /nfs/dbraw/zinc/34/00/08/1195340008.db2.gz MYBWYBAYUXTLNF-INIZCTEOSA-N 1 1 376.505 0.368 10 0 GCAEMO C[N@H+]1CCN(CCNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1(C)C ZINC000669415721 1195357885 /nfs/dbraw/zinc/35/78/85/1195357885.db2.gz JODGRCATXWQIFK-INIZCTEOSA-N 1 1 381.521 0.092 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000550027121 1195393920 /nfs/dbraw/zinc/39/39/20/1195393920.db2.gz HNSNEYRCISTNQO-YESZJQIVSA-N 1 1 377.489 0.872 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000550027121 1195393922 /nfs/dbraw/zinc/39/39/22/1195393922.db2.gz HNSNEYRCISTNQO-YESZJQIVSA-N 1 1 377.489 0.872 10 0 GCAEMO CC(=O)N(C)c1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000426643757 1195412149 /nfs/dbraw/zinc/41/21/49/1195412149.db2.gz SBAZKGKBPGINBL-KRWDZBQOSA-N 1 1 381.498 0.860 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[N@@H+]1CCO ZINC000187715038 1195420687 /nfs/dbraw/zinc/42/06/87/1195420687.db2.gz RRAGWTDIPCOFAX-ZDUSSCGKSA-N 1 1 378.864 0.858 10 0 GCAEMO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[N@H+]1CCO ZINC000187715038 1195420694 /nfs/dbraw/zinc/42/06/94/1195420694.db2.gz RRAGWTDIPCOFAX-ZDUSSCGKSA-N 1 1 378.864 0.858 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550400868 1195655521 /nfs/dbraw/zinc/65/55/21/1195655521.db2.gz PHNPPGLMXSQFOU-QZTJIDSGSA-N 1 1 386.496 0.894 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000328769133 1195664039 /nfs/dbraw/zinc/66/40/39/1195664039.db2.gz GIVRCNPBNXESFP-OKZBNKHCSA-N 1 1 390.528 0.790 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000328834813 1195669997 /nfs/dbraw/zinc/66/99/97/1195669997.db2.gz SEVIPCOMCZPZGF-JXFKEZNVSA-N 1 1 391.516 0.540 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C[C@H](C)O1 ZINC000328900724 1195672786 /nfs/dbraw/zinc/67/27/86/1195672786.db2.gz ZWXRUFVKSBMPFL-UKBAYJJMSA-N 1 1 397.541 0.813 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000536488022 1195837862 /nfs/dbraw/zinc/83/78/62/1195837862.db2.gz KVLAHZTZKXDDSR-CRAIPNDOSA-N 1 1 389.500 0.266 10 0 GCAEMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000536488022 1195837869 /nfs/dbraw/zinc/83/78/69/1195837869.db2.gz KVLAHZTZKXDDSR-CRAIPNDOSA-N 1 1 389.500 0.266 10 0 GCAEMO CN(CCCO)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000443263848 1196032461 /nfs/dbraw/zinc/03/24/61/1196032461.db2.gz BDQXKWDNPCADSQ-UHFFFAOYSA-N 1 1 378.473 0.092 10 0 GCAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC(=O)NC1CCCCC1 ZINC000522443799 1196122724 /nfs/dbraw/zinc/12/27/24/1196122724.db2.gz TVXPVJGEADVUAC-MRXNPFEDSA-N 1 1 381.521 0.677 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(Cc3cscn3)CC2)C1 ZINC000116075266 1196130757 /nfs/dbraw/zinc/13/07/57/1196130757.db2.gz QPELOJRHZLGMTQ-GOSISDBHSA-N 1 1 395.573 0.734 10 0 GCAEMO CN(C)C(=O)C1CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000248058242 1196379442 /nfs/dbraw/zinc/37/94/42/1196379442.db2.gz YPLZNPNKJBXBOD-UHFFFAOYSA-N 1 1 378.448 0.834 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000248221884 1196411790 /nfs/dbraw/zinc/41/17/90/1196411790.db2.gz IARACZCBYDZRMQ-MOPGFXCFSA-N 1 1 382.549 0.256 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC000444386080 1196453222 /nfs/dbraw/zinc/45/32/22/1196453222.db2.gz RWKDPTSWQWTAOL-NVXWUHKLSA-N 1 1 396.532 0.232 10 0 GCAEMO CC(C)(C)n1cc(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000487501502 1196471135 /nfs/dbraw/zinc/47/11/35/1196471135.db2.gz MRYAEXHWNIZAAE-UHFFFAOYSA-N 1 1 375.473 0.587 10 0 GCAEMO CCn1nc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C)c2ccccc2c1=O ZINC000508556210 1196615922 /nfs/dbraw/zinc/61/59/22/1196615922.db2.gz HBYSYBQHXOMBIN-CQSZACIVSA-N 1 1 395.467 0.733 10 0 GCAEMO CCn1nc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C)c2ccccc2c1=O ZINC000508556210 1196615923 /nfs/dbraw/zinc/61/59/23/1196615923.db2.gz HBYSYBQHXOMBIN-CQSZACIVSA-N 1 1 395.467 0.733 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)cc[nH+]1 ZINC000524978336 1196641408 /nfs/dbraw/zinc/64/14/08/1196641408.db2.gz KWCZZWLQYKEJIO-UHFFFAOYSA-N 1 1 380.408 0.389 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000525611930 1196694809 /nfs/dbraw/zinc/69/48/09/1196694809.db2.gz VXFWEPLDMGZNOF-RISCZKNCSA-N 1 1 387.477 0.823 10 0 GCAEMO Cn1cc(N2CC[C@@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cn1 ZINC000117830554 1196840256 /nfs/dbraw/zinc/84/02/56/1196840256.db2.gz MITMBESHWZLSIB-LJQANCHMSA-N 1 1 396.495 0.459 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCN(C(=O)C3CC3)CC2)C1 ZINC000121428998 1196960988 /nfs/dbraw/zinc/96/09/88/1196960988.db2.gz VQZYZKHVKHUIGC-GOSISDBHSA-N 1 1 380.533 0.404 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137821 1196972371 /nfs/dbraw/zinc/97/23/71/1196972371.db2.gz POYWFICYKMEHFA-XJKSGUPXSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137821 1196972372 /nfs/dbraw/zinc/97/23/72/1196972372.db2.gz POYWFICYKMEHFA-XJKSGUPXSA-N 1 1 389.452 0.885 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC12COC2 ZINC000451124173 1196973481 /nfs/dbraw/zinc/97/34/81/1196973481.db2.gz HBENCOWEBJAFGV-CABCVRRESA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC12COC2 ZINC000451124173 1196973482 /nfs/dbraw/zinc/97/34/82/1196973482.db2.gz HBENCOWEBJAFGV-CABCVRRESA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12COC2 ZINC000451128616 1196973856 /nfs/dbraw/zinc/97/38/56/1196973856.db2.gz BXTRLFLJYVGVTR-AWEZNQCLSA-N 1 1 376.409 0.543 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12COC2 ZINC000451128616 1196973859 /nfs/dbraw/zinc/97/38/59/1196973859.db2.gz BXTRLFLJYVGVTR-AWEZNQCLSA-N 1 1 376.409 0.543 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2c(OC)cccc2OC)CC12COC2 ZINC000451133994 1196974542 /nfs/dbraw/zinc/97/45/42/1196974542.db2.gz KHRXISQJZKLVSO-LSDHHAIUSA-N 1 1 395.452 0.955 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC12COC2 ZINC000451145365 1196975234 /nfs/dbraw/zinc/97/52/34/1196975234.db2.gz YWMVENXYUDWIIG-HIFRSBDPSA-N 1 1 382.457 0.298 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC12COC2 ZINC000451145368 1196975379 /nfs/dbraw/zinc/97/53/79/1196975379.db2.gz YWMVENXYUDWIIG-UKRRQHHQSA-N 1 1 382.457 0.298 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000451873484 1197020916 /nfs/dbraw/zinc/02/09/16/1197020916.db2.gz OWWPIDJKVJTEPA-UONOGXRCSA-N 1 1 378.439 0.882 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000451873484 1197020919 /nfs/dbraw/zinc/02/09/19/1197020919.db2.gz OWWPIDJKVJTEPA-UONOGXRCSA-N 1 1 378.439 0.882 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000452364097 1197056497 /nfs/dbraw/zinc/05/64/97/1197056497.db2.gz AKOGRMAMKCRKHO-MRXNPFEDSA-N 1 1 397.497 0.131 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000452373521 1197056745 /nfs/dbraw/zinc/05/67/45/1197056745.db2.gz GXSARKUAUGUHPF-QGZVFWFLSA-N 1 1 397.541 0.887 10 0 GCAEMO COCCNC(=O)c1ccc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc1 ZINC000531247192 1197060065 /nfs/dbraw/zinc/06/00/65/1197060065.db2.gz GDBMTTDBNLIENR-UHFFFAOYSA-N 1 1 385.472 0.640 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531918763 1197103928 /nfs/dbraw/zinc/10/39/28/1197103928.db2.gz OVSTYYHTFVHNQT-DLBZAZTESA-N 1 1 381.498 0.968 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000170856061 1197155077 /nfs/dbraw/zinc/15/50/77/1197155077.db2.gz ZHAAVIIQZSXTGD-CABCVRRESA-N 1 1 383.518 0.638 10 0 GCAEMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485837 1197177161 /nfs/dbraw/zinc/17/71/61/1197177161.db2.gz NBYVUMSLHAHNHW-HOTGVXAUSA-N 1 1 375.473 0.405 10 0 GCAEMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485837 1197177164 /nfs/dbraw/zinc/17/71/64/1197177164.db2.gz NBYVUMSLHAHNHW-HOTGVXAUSA-N 1 1 375.473 0.405 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000173683210 1197178477 /nfs/dbraw/zinc/17/84/77/1197178477.db2.gz ZZPAZJFKZVMDBX-IEBWSBKVSA-N 1 1 391.564 0.960 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000177174013 1197188891 /nfs/dbraw/zinc/18/88/91/1197188891.db2.gz RKOTUTZNASQMCE-HOTGVXAUSA-N 1 1 397.545 0.466 10 0 GCAEMO C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179137803 1197196991 /nfs/dbraw/zinc/19/69/91/1197196991.db2.gz BJLMURDUGRKFDY-XNHLSEOASA-N 1 1 377.533 0.950 10 0 GCAEMO CN1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000179472711 1197198133 /nfs/dbraw/zinc/19/81/33/1197198133.db2.gz YBKHIICTROIHMF-WMZOPIPTSA-N 1 1 384.484 0.945 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180208607 1197200773 /nfs/dbraw/zinc/20/07/73/1197200773.db2.gz BKBLHLJEPXQWGQ-RRQGHBQHSA-N 1 1 391.497 0.649 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000180864702 1197202378 /nfs/dbraw/zinc/20/23/78/1197202378.db2.gz YZNUJSGPIQTVMS-CYBMUJFWSA-N 1 1 379.490 0.504 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000180864702 1197202382 /nfs/dbraw/zinc/20/23/82/1197202382.db2.gz YZNUJSGPIQTVMS-CYBMUJFWSA-N 1 1 379.490 0.504 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(CC(=O)N(C)C)CC2)C1 ZINC000182190052 1197206855 /nfs/dbraw/zinc/20/68/55/1197206855.db2.gz KOYNNDBURUTSQG-GOSISDBHSA-N 1 1 382.549 0.650 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182516544 1197207530 /nfs/dbraw/zinc/20/75/30/1197207530.db2.gz MWOLYYVGTCTJKM-SFHVURJKSA-N 1 1 388.516 0.856 10 0 GCAEMO CCOC(=O)CCCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182620796 1197207830 /nfs/dbraw/zinc/20/78/30/1197207830.db2.gz MZEGADDEJYLQHC-JWTNVVGKSA-N 1 1 380.533 0.689 10 0 GCAEMO C[C@H](CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)CN1CC[NH+](C)CC1 ZINC000182854617 1197208858 /nfs/dbraw/zinc/20/88/58/1197208858.db2.gz FKKXPERLUMLRLE-AEFFLSMTSA-N 1 1 388.516 0.760 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000184808084 1197212749 /nfs/dbraw/zinc/21/27/49/1197212749.db2.gz MBSANHFZEXHNFB-SFHVURJKSA-N 1 1 388.516 0.902 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000453933137 1197226538 /nfs/dbraw/zinc/22/65/38/1197226538.db2.gz LPXYAYCTXYSJFU-OKILXGFUSA-N 1 1 376.457 0.521 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000453933137 1197226541 /nfs/dbraw/zinc/22/65/41/1197226541.db2.gz LPXYAYCTXYSJFU-OKILXGFUSA-N 1 1 376.457 0.521 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000186941605 1197229933 /nfs/dbraw/zinc/22/99/33/1197229933.db2.gz STZJPNQRFMWDMA-CQSZACIVSA-N 1 1 391.488 0.939 10 0 GCAEMO CN1CC[NH+](CC2CCN(C(=O)NCCCCN3CCOCC3)CC2)CC1 ZINC000192151282 1197245324 /nfs/dbraw/zinc/24/53/24/1197245324.db2.gz NGEYHNAJZKAYEZ-UHFFFAOYSA-N 1 1 381.565 0.768 10 0 GCAEMO CC[NH+]1CCN(CCCCNC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000171189069 1197314254 /nfs/dbraw/zinc/31/42/54/1197314254.db2.gz IJYYBLVYBHDBFI-UHFFFAOYSA-N 1 1 375.521 0.726 10 0 GCAEMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114721741 1197336393 /nfs/dbraw/zinc/33/63/93/1197336393.db2.gz FJZJMDVWENLGFJ-WMZOPIPTSA-N 1 1 380.533 0.546 10 0 GCAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114721746 1197336524 /nfs/dbraw/zinc/33/65/24/1197336524.db2.gz FJZJMDVWENLGFJ-SJLPKXTDSA-N 1 1 380.533 0.546 10 0 GCAEMO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1CO ZINC000536521808 1197352373 /nfs/dbraw/zinc/35/23/73/1197352373.db2.gz UFTUWLVJTFZQGP-GOSISDBHSA-N 1 1 391.468 0.839 10 0 GCAEMO CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000128001131 1197362829 /nfs/dbraw/zinc/36/28/29/1197362829.db2.gz VGSPJSUZJPWWEU-HRBLRVMOSA-N 1 1 377.533 0.950 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOC[C@@H]2c2cccn2C)C1 ZINC000131709648 1197377936 /nfs/dbraw/zinc/37/79/36/1197377936.db2.gz FOEMLYIXCSMNCI-PKOBYXMFSA-N 1 1 378.517 0.871 10 0 GCAEMO CCN(CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)S(C)(=O)=O ZINC000194427014 1197399157 /nfs/dbraw/zinc/39/91/57/1197399157.db2.gz MSHUSRKXDKHBKS-UHFFFAOYSA-N 1 1 385.534 0.420 10 0 GCAEMO Cn1cc(/C=C/C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000194736119 1197399742 /nfs/dbraw/zinc/39/97/42/1197399742.db2.gz CTYAJGMQOWBZCB-KBOKABMXSA-N 1 1 382.464 0.736 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000533092655 1197432673 /nfs/dbraw/zinc/43/26/73/1197432673.db2.gz BANNMIYLNDJXNM-SOLBZPMBSA-N 1 1 383.514 0.567 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)cc[nH+]1 ZINC000533394281 1197449671 /nfs/dbraw/zinc/44/96/71/1197449671.db2.gz BNEKBJOVLXGQLV-UHFFFAOYSA-N 1 1 389.382 0.053 10 0 GCAEMO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000533515873 1197455264 /nfs/dbraw/zinc/45/52/64/1197455264.db2.gz QUFIJQBGIIUQNA-INIZCTEOSA-N 1 1 375.473 0.931 10 0 GCAEMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000533515873 1197455266 /nfs/dbraw/zinc/45/52/66/1197455266.db2.gz QUFIJQBGIIUQNA-INIZCTEOSA-N 1 1 375.473 0.931 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(CCOC)nn2C)CC1=O ZINC000246258327 1197458883 /nfs/dbraw/zinc/45/88/83/1197458883.db2.gz JBUGUOZVKTWMGW-GOEBONIOSA-N 1 1 377.489 0.880 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000533593333 1197460978 /nfs/dbraw/zinc/46/09/78/1197460978.db2.gz OGAARENHFHVIIP-AWEZNQCLSA-N 1 1 378.477 0.034 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000066652368 1197467568 /nfs/dbraw/zinc/46/75/68/1197467568.db2.gz NQDISOBKCKNZOC-GJZGRUSLSA-N 1 1 384.502 0.760 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000073618503 1197470528 /nfs/dbraw/zinc/47/05/28/1197470528.db2.gz ISUOHBNCSBTJSV-KRWDZBQOSA-N 1 1 377.537 0.714 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000247011106 1197474433 /nfs/dbraw/zinc/47/44/33/1197474433.db2.gz QKVPYEFIIDCEFV-IOASZLSFSA-N 1 1 377.407 0.845 10 0 GCAEMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000247517550 1197476706 /nfs/dbraw/zinc/47/67/06/1197476706.db2.gz NBYVUMSLHAHNHW-CVEARBPZSA-N 1 1 375.473 0.405 10 0 GCAEMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000247517550 1197476712 /nfs/dbraw/zinc/47/67/12/1197476712.db2.gz NBYVUMSLHAHNHW-CVEARBPZSA-N 1 1 375.473 0.405 10 0 GCAEMO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000247590007 1197476809 /nfs/dbraw/zinc/47/68/09/1197476809.db2.gz NBDGNNZQFRHUET-ICSRJNTNSA-N 1 1 388.512 0.777 10 0 GCAEMO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000247590007 1197476811 /nfs/dbraw/zinc/47/68/11/1197476811.db2.gz NBDGNNZQFRHUET-ICSRJNTNSA-N 1 1 388.512 0.777 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCSC[C@H]2c2cnn(C)c2)C1 ZINC000248795234 1197480206 /nfs/dbraw/zinc/48/02/06/1197480206.db2.gz OTXLTGHJEYJNMU-ROUUACIJSA-N 1 1 395.573 0.983 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000076997700 1197485272 /nfs/dbraw/zinc/48/52/72/1197485272.db2.gz GEHIROYLNKDMPH-OAHLLOKOSA-N 1 1 378.517 0.836 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261889358 1197517460 /nfs/dbraw/zinc/51/74/60/1197517460.db2.gz QHZCXNQNIBVXQQ-PKOBYXMFSA-N 1 1 388.512 0.892 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261911333 1197518612 /nfs/dbraw/zinc/51/86/12/1197518612.db2.gz HOGIATVBNRAILC-WFASDCNBSA-N 1 1 393.469 0.526 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000262249158 1197527915 /nfs/dbraw/zinc/52/79/15/1197527915.db2.gz PVMCKXUNIDKVFL-MOPGFXCFSA-N 1 1 375.517 0.501 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000262249167 1197527965 /nfs/dbraw/zinc/52/79/65/1197527965.db2.gz PVMCKXUNIDKVFL-OALUTQOASA-N 1 1 375.517 0.501 10 0 GCAEMO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262504101 1197533037 /nfs/dbraw/zinc/53/30/37/1197533037.db2.gz IUHCRQAOEXGGLD-CQSZACIVSA-N 1 1 395.481 0.367 10 0 GCAEMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCSC[C@@H]1CCO ZINC000536648614 1197579649 /nfs/dbraw/zinc/57/96/49/1197579649.db2.gz IISUVWUKXSMZBG-HOTGVXAUSA-N 1 1 385.530 0.026 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476021662 1197587704 /nfs/dbraw/zinc/58/77/04/1197587704.db2.gz MFHJBJKWWFXOGO-AEFFLSMTSA-N 1 1 395.548 0.339 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476021663 1197587948 /nfs/dbraw/zinc/58/79/48/1197587948.db2.gz MFHJBJKWWFXOGO-FUHWJXTLSA-N 1 1 395.548 0.339 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000672084694 1199077554 /nfs/dbraw/zinc/07/75/54/1199077554.db2.gz JVGCVPTWGCXLMB-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000672084692 1199078021 /nfs/dbraw/zinc/07/80/21/1199078021.db2.gz JVGCVPTWGCXLMB-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000172605802 1199094550 /nfs/dbraw/zinc/09/45/50/1199094550.db2.gz MRHDIXXKIKMWAC-MRXNPFEDSA-N 1 1 376.505 0.934 10 0 GCAEMO CN1C(=O)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H]1c1cccnc1 ZINC000268996348 1199101639 /nfs/dbraw/zinc/10/16/39/1199101639.db2.gz SSFYXCDMZYTXOX-YQVWRLOYSA-N 1 1 399.495 0.366 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000672223448 1199164363 /nfs/dbraw/zinc/16/43/63/1199164363.db2.gz FSOYSUGGNGLDIL-UONOGXRCSA-N 1 1 379.530 0.913 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000672223448 1199164367 /nfs/dbraw/zinc/16/43/67/1199164367.db2.gz FSOYSUGGNGLDIL-UONOGXRCSA-N 1 1 379.530 0.913 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000672308423 1199199336 /nfs/dbraw/zinc/19/93/36/1199199336.db2.gz NECAAWGXWMRFML-SFHVURJKSA-N 1 1 390.528 0.838 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000672311631 1199205098 /nfs/dbraw/zinc/20/50/98/1199205098.db2.gz MHCNCZAFCAIQFY-ZWKOTPCHSA-N 1 1 384.480 0.677 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000672597371 1199277273 /nfs/dbraw/zinc/27/72/73/1199277273.db2.gz HBVVRAOMRKIFCS-UWJYYQICSA-N 1 1 386.496 0.397 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000672597368 1199277305 /nfs/dbraw/zinc/27/73/05/1199277305.db2.gz HBVVRAOMRKIFCS-DYESRHJHSA-N 1 1 386.496 0.397 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000672597369 1199277581 /nfs/dbraw/zinc/27/75/81/1199277581.db2.gz HBVVRAOMRKIFCS-LAUBAEHRSA-N 1 1 386.496 0.397 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640207 1199296033 /nfs/dbraw/zinc/29/60/33/1199296033.db2.gz UCZKLVWXYHSKJS-HIFRSBDPSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672640207 1199296037 /nfs/dbraw/zinc/29/60/37/1199296037.db2.gz UCZKLVWXYHSKJS-HIFRSBDPSA-N 1 1 376.505 0.050 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000672642013 1199301403 /nfs/dbraw/zinc/30/14/03/1199301403.db2.gz VYBFEUSGDQYIHQ-OAHLLOKOSA-N 1 1 398.511 0.772 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000672688159 1199316470 /nfs/dbraw/zinc/31/64/70/1199316470.db2.gz LVWOMULWVYALAI-INIZCTEOSA-N 1 1 390.550 0.314 10 0 GCAEMO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@H](CC(N)=O)C3)C2=O)cc1OC ZINC000672773052 1199331740 /nfs/dbraw/zinc/33/17/40/1199331740.db2.gz FASKSFOUEKRGTA-CABCVRRESA-N 1 1 389.452 0.571 10 0 GCAEMO C[N@@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C[C@@H]1Cc1ccccc1 ZINC000672815533 1199342702 /nfs/dbraw/zinc/34/27/02/1199342702.db2.gz RHWOWOHPSRLJCR-SFHVURJKSA-N 1 1 394.541 0.980 10 0 GCAEMO C[N@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C[C@@H]1Cc1ccccc1 ZINC000672815533 1199342705 /nfs/dbraw/zinc/34/27/05/1199342705.db2.gz RHWOWOHPSRLJCR-SFHVURJKSA-N 1 1 394.541 0.980 10 0 GCAEMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000672855448 1199353195 /nfs/dbraw/zinc/35/31/95/1199353195.db2.gz YMVRMIIATOOLCC-YLJYHZDGSA-N 1 1 379.501 0.918 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078031168 1199355823 /nfs/dbraw/zinc/35/58/23/1199355823.db2.gz YFBJTMMGMBAOPF-SFHVURJKSA-N 1 1 375.517 0.821 10 0 GCAEMO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078031168 1199355827 /nfs/dbraw/zinc/35/58/27/1199355827.db2.gz YFBJTMMGMBAOPF-SFHVURJKSA-N 1 1 375.517 0.821 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078031168 1199355832 /nfs/dbraw/zinc/35/58/32/1199355832.db2.gz YFBJTMMGMBAOPF-SFHVURJKSA-N 1 1 375.517 0.821 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888762 1199359777 /nfs/dbraw/zinc/35/97/77/1199359777.db2.gz KITGIBSXQGYWGW-IXDOHACOSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888762 1199359782 /nfs/dbraw/zinc/35/97/82/1199359782.db2.gz KITGIBSXQGYWGW-IXDOHACOSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888761 1199359955 /nfs/dbraw/zinc/35/99/55/1199359955.db2.gz KITGIBSXQGYWGW-IKGGRYGDSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000672888761 1199359957 /nfs/dbraw/zinc/35/99/57/1199359957.db2.gz KITGIBSXQGYWGW-IKGGRYGDSA-N 1 1 388.516 0.590 10 0 GCAEMO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H](C)O2 ZINC000673123682 1199431127 /nfs/dbraw/zinc/43/11/27/1199431127.db2.gz JIZJQTRYZDALQQ-IORMERADSA-N 1 1 379.501 0.913 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1N1CCOCC1 ZINC000673123210 1199431347 /nfs/dbraw/zinc/43/13/47/1199431347.db2.gz QWLILPRQEVTPOM-AJYUKVHDSA-N 1 1 378.517 0.297 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000466216251 1199560986 /nfs/dbraw/zinc/56/09/86/1199560986.db2.gz HEFUHMMQQONVAX-QGZVFWFLSA-N 1 1 386.504 0.730 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000466216251 1199560989 /nfs/dbraw/zinc/56/09/89/1199560989.db2.gz HEFUHMMQQONVAX-QGZVFWFLSA-N 1 1 386.504 0.730 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000466216251 1199560993 /nfs/dbraw/zinc/56/09/93/1199560993.db2.gz HEFUHMMQQONVAX-QGZVFWFLSA-N 1 1 386.504 0.730 10 0 GCAEMO C/C(=C/C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)CN1CCOCC1 ZINC000922337212 1199727224 /nfs/dbraw/zinc/72/72/24/1199727224.db2.gz AQJFYYBCTBQCNM-NZCCEVMUSA-N 1 1 380.533 0.178 10 0 GCAEMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)NS(C)(=O)=O)cc2)CC1 ZINC000173102911 1199902290 /nfs/dbraw/zinc/90/22/90/1199902290.db2.gz YTBRPNQKCLWPKV-UHFFFAOYSA-N 1 1 396.557 0.768 10 0 GCAEMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[NH+](C3CC3)CC2)c(=O)[nH]c1=O ZINC000125990658 1199902666 /nfs/dbraw/zinc/90/26/66/1199902666.db2.gz MMRHUKSULNUVJB-UHFFFAOYSA-N 1 1 392.504 0.052 10 0 GCAEMO Cc1nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000673816862 1199949950 /nfs/dbraw/zinc/94/99/50/1199949950.db2.gz KSKQXWPNTZKBFS-UHFFFAOYSA-N 1 1 398.353 0.723 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673876150 1199965281 /nfs/dbraw/zinc/96/52/81/1199965281.db2.gz NVJIKHVXADQZMC-QGZVFWFLSA-N 1 1 381.521 0.092 10 0 GCAEMO CN1CCN(c2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cn2)CC1 ZINC000673867491 1199966012 /nfs/dbraw/zinc/96/60/12/1199966012.db2.gz NXOKBNIDIWELEU-UHFFFAOYSA-N 1 1 386.504 0.913 10 0 GCAEMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)C1 ZINC000673884087 1199968206 /nfs/dbraw/zinc/96/82/06/1199968206.db2.gz STOWYPDGQUIFPR-QZTJIDSGSA-N 1 1 393.532 0.188 10 0 GCAEMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)Cc3nnnn3C)C2)cc(OC)c1 ZINC000466605749 1200117271 /nfs/dbraw/zinc/11/72/71/1200117271.db2.gz CWXJYRYCZOKECS-CQSZACIVSA-N 1 1 389.460 0.643 10 0 GCAEMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)Cc3nnnn3C)C2)cc(OC)c1 ZINC000466605749 1200117283 /nfs/dbraw/zinc/11/72/83/1200117283.db2.gz CWXJYRYCZOKECS-CQSZACIVSA-N 1 1 389.460 0.643 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2F)CC1 ZINC000172314687 1200270401 /nfs/dbraw/zinc/27/04/01/1200270401.db2.gz AELFJNOHWHUOQM-HNNXBMFYSA-N 1 1 398.504 0.731 10 0 GCAEMO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1S(N)(=O)=O ZINC000172641089 1200288303 /nfs/dbraw/zinc/28/83/03/1200288303.db2.gz JGGYENPGAAJDDA-QGZVFWFLSA-N 1 1 394.541 0.885 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000676088668 1200492648 /nfs/dbraw/zinc/49/26/48/1200492648.db2.gz CWQXXVGURUFEOZ-QGZVFWFLSA-N 1 1 384.484 0.774 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1C ZINC000676259759 1200520036 /nfs/dbraw/zinc/52/00/36/1200520036.db2.gz AZECRDZPPAMFJX-NVXWUHKLSA-N 1 1 383.514 0.759 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000676259759 1200520040 /nfs/dbraw/zinc/52/00/40/1200520040.db2.gz AZECRDZPPAMFJX-NVXWUHKLSA-N 1 1 383.514 0.759 10 0 GCAEMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280187 1200527807 /nfs/dbraw/zinc/52/78/07/1200527807.db2.gz HOUCDPWEYCYXFM-YOEHRIQHSA-N 1 1 376.457 0.297 10 0 GCAEMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280187 1200527811 /nfs/dbraw/zinc/52/78/11/1200527811.db2.gz HOUCDPWEYCYXFM-YOEHRIQHSA-N 1 1 376.457 0.297 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000504574243 1200564592 /nfs/dbraw/zinc/56/45/92/1200564592.db2.gz BBABSOZZTCVBRU-QGZVFWFLSA-N 1 1 377.514 0.631 10 0 GCAEMO CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000676733460 1200588308 /nfs/dbraw/zinc/58/83/08/1200588308.db2.gz NIVXEBBONDMBCH-AWEZNQCLSA-N 1 1 399.488 0.964 10 0 GCAEMO COC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685590 1200590777 /nfs/dbraw/zinc/59/07/77/1200590777.db2.gz CYRPOIJBEGNHRR-ICSRJNTNSA-N 1 1 377.485 0.399 10 0 GCAEMO COC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685590 1200590781 /nfs/dbraw/zinc/59/07/81/1200590781.db2.gz CYRPOIJBEGNHRR-ICSRJNTNSA-N 1 1 377.485 0.399 10 0 GCAEMO COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685591 1200591176 /nfs/dbraw/zinc/59/11/76/1200591176.db2.gz CYRPOIJBEGNHRR-QUCCMNQESA-N 1 1 377.485 0.399 10 0 GCAEMO COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685591 1200591177 /nfs/dbraw/zinc/59/11/77/1200591177.db2.gz CYRPOIJBEGNHRR-QUCCMNQESA-N 1 1 377.485 0.399 10 0 GCAEMO CCS(=O)(=O)NCCN[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611266115 1201226689 /nfs/dbraw/zinc/22/66/89/1201226689.db2.gz JRMMYDAIFINCID-SFHVURJKSA-N 1 1 383.514 0.723 10 0 GCAEMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000611431232 1201238224 /nfs/dbraw/zinc/23/82/24/1201238224.db2.gz CIBZSUARASTVBY-INIZCTEOSA-N 1 1 389.456 0.457 10 0 GCAEMO O=C(CN1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1)N1CCCCCC1 ZINC000105167416 1201252715 /nfs/dbraw/zinc/25/27/15/1201252715.db2.gz WYUYEPXPMSGMQX-OALUTQOASA-N 1 1 383.533 0.563 10 0 GCAEMO COC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732695820 1201557346 /nfs/dbraw/zinc/55/73/46/1201557346.db2.gz PLASWGVVVLUGOB-HOTGVXAUSA-N 1 1 385.505 0.785 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000282662251 1201619991 /nfs/dbraw/zinc/61/99/91/1201619991.db2.gz BSQGODRWGOPRBY-AWEZNQCLSA-N 1 1 397.497 0.035 10 0 GCAEMO Cc1sc2ncnc(SCC(=O)NC[C@]3(CO)COCC[NH2+]3)c2c1C ZINC000825112353 1201654758 /nfs/dbraw/zinc/65/47/58/1201654758.db2.gz OGWXETOYAZJPFW-INIZCTEOSA-N 1 1 382.511 0.867 10 0 GCAEMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C(F)(F)F ZINC000735586759 1201693358 /nfs/dbraw/zinc/69/33/58/1201693358.db2.gz OXCFKPIPJQGSQB-STQMWFEESA-N 1 1 375.395 0.815 10 0 GCAEMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C(F)(F)F ZINC000735586757 1201693546 /nfs/dbraw/zinc/69/35/46/1201693546.db2.gz OXCFKPIPJQGSQB-OLZOCXBDSA-N 1 1 375.395 0.815 10 0 GCAEMO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)C2)cc1 ZINC000828697294 1201719514 /nfs/dbraw/zinc/71/95/14/1201719514.db2.gz MDOGSELQYVMRJS-PXNSSMCTSA-N 1 1 375.469 0.314 10 0 GCAEMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000741604434 1201780838 /nfs/dbraw/zinc/78/08/38/1201780838.db2.gz DBRQTCGPQPCTFB-DOMZBBRYSA-N 1 1 376.482 0.958 10 0 GCAEMO C[C@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC[N@@H+]1CCO ZINC000188763325 1201909058 /nfs/dbraw/zinc/90/90/58/1201909058.db2.gz WLWWAYIWPBFCHU-HNNXBMFYSA-N 1 1 377.489 0.471 10 0 GCAEMO C[C@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC[N@H+]1CCO ZINC000188763325 1201909061 /nfs/dbraw/zinc/90/90/61/1201909061.db2.gz WLWWAYIWPBFCHU-HNNXBMFYSA-N 1 1 377.489 0.471 10 0 GCAEMO CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000804324325 1201947975 /nfs/dbraw/zinc/94/79/75/1201947975.db2.gz DZQLJSQPCXHHBX-KRWDZBQOSA-N 1 1 395.500 0.692 10 0 GCAEMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCOC[C@@H]3CCO)CC2)cc1 ZINC000767598836 1201980075 /nfs/dbraw/zinc/98/00/75/1201980075.db2.gz GXXYYBKZCRZRSW-IBGZPJMESA-N 1 1 391.512 0.813 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](C)CC2)C1=O ZINC000771221366 1202130835 /nfs/dbraw/zinc/13/08/35/1202130835.db2.gz YENTVIGLRFWPNB-HXUWFJFHSA-N 1 1 388.468 0.935 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)CCNC(=O)OC(C)(C)C)CC1 ZINC000789646104 1205445059 /nfs/dbraw/zinc/44/50/59/1205445059.db2.gz WKQDFKVIUYNDHY-GFCCVEGCSA-N 1 1 385.465 0.479 10 0 GCAEMO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792303158 1205486079 /nfs/dbraw/zinc/48/60/79/1205486079.db2.gz ZIONCNCZRHTWBZ-CQSZACIVSA-N 1 1 379.482 0.942 10 0 GCAEMO COc1ccc(Cl)cc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793564118 1205500208 /nfs/dbraw/zinc/50/02/08/1205500208.db2.gz GFEMTDRLUISJBM-HUUCEWRRSA-N 1 1 381.860 0.944 10 0 GCAEMO CC(C)c1nnc2n1CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@H]2C ZINC000805568811 1205540041 /nfs/dbraw/zinc/54/00/41/1205540041.db2.gz BTSGSFROFUAEGO-LBPRGKRZSA-N 1 1 388.476 0.421 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000805611470 1205540919 /nfs/dbraw/zinc/54/09/19/1205540919.db2.gz AXLNMQVWYREGRY-SANMLTNESA-N 1 1 379.526 0.914 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000805611470 1205540920 /nfs/dbraw/zinc/54/09/20/1205540920.db2.gz AXLNMQVWYREGRY-SANMLTNESA-N 1 1 379.526 0.914 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805620068 1205541357 /nfs/dbraw/zinc/54/13/57/1205541357.db2.gz NQSJVVFMDIOLSG-MCGQKYITSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805620068 1205541359 /nfs/dbraw/zinc/54/13/59/1205541359.db2.gz NQSJVVFMDIOLSG-MCGQKYITSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805620072 1205541477 /nfs/dbraw/zinc/54/14/77/1205541477.db2.gz NQSJVVFMDIOLSG-PGXXRXHMSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805620072 1205541479 /nfs/dbraw/zinc/54/14/79/1205541479.db2.gz NQSJVVFMDIOLSG-PGXXRXHMSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805621747 1205541601 /nfs/dbraw/zinc/54/16/01/1205541601.db2.gz OCSAFLRQAGIJPD-QLXKLKPCSA-N 1 1 379.526 0.852 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000747380261 1205577051 /nfs/dbraw/zinc/57/70/51/1205577051.db2.gz RIPMCTFNUSMFIN-HZPDHXFCSA-N 1 1 376.482 0.996 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000747380261 1205577053 /nfs/dbraw/zinc/57/70/53/1205577053.db2.gz RIPMCTFNUSMFIN-HZPDHXFCSA-N 1 1 376.482 0.996 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000774812965 1205916337 /nfs/dbraw/zinc/91/63/37/1205916337.db2.gz XWJUTPXQQXHJEC-XGCWNURASA-N 1 1 395.525 0.833 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000587119151 530309853 /nfs/dbraw/zinc/30/98/53/530309853.db2.gz VDWCTJODICVUJB-UHFFFAOYSA-N 1 1 386.543 0.831 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)NCC[N@H+]1CCc2sccc2C1 ZINC000587119151 530309856 /nfs/dbraw/zinc/30/98/56/530309856.db2.gz VDWCTJODICVUJB-UHFFFAOYSA-N 1 1 386.543 0.831 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000587124517 530310284 /nfs/dbraw/zinc/31/02/84/530310284.db2.gz QQFWHGFXNAANIW-OAHLLOKOSA-N 1 1 376.523 0.068 10 0 GCAEMO CC(C)[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000587122683 530310375 /nfs/dbraw/zinc/31/03/75/530310375.db2.gz DCCFFBCWMGPSCI-HNNXBMFYSA-N 1 1 376.523 0.068 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179849788 530368240 /nfs/dbraw/zinc/36/82/40/530368240.db2.gz ACUQRUJSHOFAEH-LLVKDONJSA-N 1 1 385.262 0.698 10 0 GCAEMO O=S(=O)(N1CCOCC1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000407959218 530338939 /nfs/dbraw/zinc/33/89/39/530338939.db2.gz TXIYGXRAASSMFL-UHFFFAOYSA-N 1 1 375.535 0.778 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)[C@@H]2C1 ZINC000284975370 530388397 /nfs/dbraw/zinc/38/83/97/530388397.db2.gz LVOFCCXCUNUGGP-ZJUUUORDSA-N 1 1 379.891 0.594 10 0 GCAEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@H]2C1 ZINC000285004670 530388841 /nfs/dbraw/zinc/38/88/41/530388841.db2.gz LOLAVHCIMYIXMS-NWDGAFQWSA-N 1 1 376.276 0.938 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Br)cn3)[C@H]2C1 ZINC000285004670 530388843 /nfs/dbraw/zinc/38/88/43/530388843.db2.gz LOLAVHCIMYIXMS-NWDGAFQWSA-N 1 1 376.276 0.938 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000194120362 530395244 /nfs/dbraw/zinc/39/52/44/530395244.db2.gz LWPRZSCNVGKWPE-LBPRGKRZSA-N 1 1 385.262 0.698 10 0 GCAEMO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602956471 530486404 /nfs/dbraw/zinc/48/64/04/530486404.db2.gz QVDJWTCPVNWUEZ-ZDUSSCGKSA-N 1 1 390.225 0.543 10 0 GCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000490251413 530828021 /nfs/dbraw/zinc/82/80/21/530828021.db2.gz OAGOXRKWTIIWLV-JKSUJKDBSA-N 1 1 375.535 0.760 10 0 GCAEMO COCCCS(=O)(=O)NCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000175215672 530849529 /nfs/dbraw/zinc/84/95/29/530849529.db2.gz BSZQBIFIYJXOOL-QGZVFWFLSA-N 1 1 376.567 0.044 10 0 GCAEMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185163304 530855202 /nfs/dbraw/zinc/85/52/02/530855202.db2.gz CVAWMWGKWNEUQG-ZIAGYGMSSA-N 1 1 387.274 0.714 10 0 GCAEMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185163304 530855205 /nfs/dbraw/zinc/85/52/05/530855205.db2.gz CVAWMWGKWNEUQG-ZIAGYGMSSA-N 1 1 387.274 0.714 10 0 GCAEMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000492601105 530837882 /nfs/dbraw/zinc/83/78/82/530837882.db2.gz JXOSLZXWYKOMMF-AWEZNQCLSA-N 1 1 376.523 0.068 10 0 GCAEMO CCCCN(C)S(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117372689 530934605 /nfs/dbraw/zinc/93/46/05/530934605.db2.gz ZHFSBMQMGASQNO-QGZVFWFLSA-N 1 1 376.567 0.690 10 0 GCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(Br)o3)[C@H]2C1 ZINC000285729913 530962037 /nfs/dbraw/zinc/96/20/37/530962037.db2.gz KHQNDQKIPOJARA-QWRGUYRKSA-N 1 1 386.246 0.703 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000069499584 531055742 /nfs/dbraw/zinc/05/57/42/531055742.db2.gz CSMIXASIOHVGHB-NSHDSACASA-N 1 1 383.250 0.727 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262736662 531057538 /nfs/dbraw/zinc/05/75/38/531057538.db2.gz AKMPVLBTTXCGSF-WCQYABFASA-N 1 1 391.515 0.733 10 0 GCAEMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000546571696 531092291 /nfs/dbraw/zinc/09/22/91/531092291.db2.gz OKPIYVHILFOUJA-CJNGLKHVSA-N 1 1 387.527 0.474 10 0 GCAEMO C[C@H]1C[N@@H+](CCCNC(=O)NCCCN2CCCS2(=O)=O)CCCO1 ZINC000683374515 531178231 /nfs/dbraw/zinc/17/82/31/531178231.db2.gz GLOBQHCOKCOHIH-HNNXBMFYSA-N 1 1 376.523 0.212 10 0 GCAEMO C/C=C(/C)C(=O)O[C@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000056871320 291098574 /nfs/dbraw/zinc/09/85/74/291098574.db2.gz HRSGCYGUWHGOPY-UKLMUADPSA-N 1 1 397.468 0.305 10 0 biogenic,in-vitro GCAEMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCN1CCCCC1=O ZINC000011874799 221135218 /nfs/dbraw/zinc/13/52/18/221135218.db2.gz GHPKBQBYXZPAEU-QGZVFWFLSA-N 1 1 378.517 0.886 10 0 GCAEMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccnn2C)C[N@H+]1C1CCOCC1 ZINC000096180388 222395008 /nfs/dbraw/zinc/39/50/08/222395008.db2.gz NTLJPLLHQLJQRH-PBHICJAKSA-N 1 1 377.489 0.640 10 0 GCAEMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2nc3ccccc3n2C)[N@H+]1C ZINC000022920848 560091989 /nfs/dbraw/zinc/09/19/89/560091989.db2.gz CYZFVOBMTCFHTP-NQYLQCIDSA-N 1 1 399.495 0.900 10 0 biogenic GCAEMO CC(C)CNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000034677017 570293659 /nfs/dbraw/zinc/29/36/59/570293659.db2.gz QVAYCISWNMMHCA-MRXNPFEDSA-N 1 1 382.505 0.964 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000066076485 638580039 /nfs/dbraw/zinc/58/00/39/638580039.db2.gz KJPVQFICQSWMDI-JTQLQIEISA-N 1 1 397.277 0.493 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000179844246 639950965 /nfs/dbraw/zinc/95/09/65/639950965.db2.gz DAXVPUSBIOCIFX-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000179844246 639950969 /nfs/dbraw/zinc/95/09/69/639950969.db2.gz DAXVPUSBIOCIFX-WDEREUQCSA-N 1 1 385.262 0.696 10 0 GCAEMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1c1cccs1 ZINC000788393155 641367275 /nfs/dbraw/zinc/36/72/75/641367275.db2.gz WIIHPJWKTGSVCW-JSGCOSHPSA-N 1 1 387.527 0.408 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)Cc1ccc3c(c1)OCO3)c(=O)n2C ZINC000165011290 1192260495 /nfs/dbraw/zinc/26/04/95/1192260495.db2.gz PGPMIXDXLMYPSC-UHFFFAOYSA-N 1 1 385.424 0.685 10 0 GCAEMO C[C@@]1(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000162401265 1192295628 /nfs/dbraw/zinc/29/56/28/1192295628.db2.gz OQZULBYQACFYBH-SFHVURJKSA-N 1 1 391.497 0.701 10 0 GCAEMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000278894793 1192339361 /nfs/dbraw/zinc/33/93/61/1192339361.db2.gz FBUNUGHLIKXTQX-IAGOWNOFSA-N 1 1 388.516 0.784 10 0 GCAEMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279223310 1192489154 /nfs/dbraw/zinc/48/91/54/1192489154.db2.gz DASGGJBFJVFKHI-UGUYLWEFSA-N 1 1 392.479 0.438 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614102997 1192904983 /nfs/dbraw/zinc/90/49/83/1192904983.db2.gz AFCXHJCKSNTDCN-SJORKVTESA-N 1 1 397.472 0.812 10 0 GCAEMO CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000683106213 1184120062 /nfs/dbraw/zinc/12/00/62/1184120062.db2.gz VGULTFIWEOOWFJ-NEPJUHHUSA-N 1 1 376.465 0.892 10 0 GCAEMO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000579866397 1184408274 /nfs/dbraw/zinc/40/82/74/1184408274.db2.gz PZNRKUXZWZBZBO-QGZVFWFLSA-N 1 1 390.528 0.925 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000069527292 1184522259 /nfs/dbraw/zinc/52/22/59/1184522259.db2.gz QKQGDGOBKMBNQN-INIZCTEOSA-N 1 1 381.498 0.849 10 0 GCAEMO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510174209 1184590966 /nfs/dbraw/zinc/59/09/66/1184590966.db2.gz FJIXJVWQTOYWPX-ZFWWWQNUSA-N 1 1 388.534 0.652 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000510243830 1184642054 /nfs/dbraw/zinc/64/20/54/1184642054.db2.gz POAZFDHCIWAOPY-OAHLLOKOSA-N 1 1 397.497 0.204 10 0 GCAEMO COC(=O)C1(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)CCCCC1 ZINC000510270826 1184716371 /nfs/dbraw/zinc/71/63/71/1184716371.db2.gz TZZKETBFCMUAGF-UHFFFAOYSA-N 1 1 389.518 0.240 10 0 GCAEMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000609075850 1184829411 /nfs/dbraw/zinc/82/94/11/1184829411.db2.gz ABLDYUBVPFCCRE-HNNXBMFYSA-N 1 1 397.497 0.647 10 0 GCAEMO CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000255121267 1184843956 /nfs/dbraw/zinc/84/39/56/1184843956.db2.gz IRWLOWUSQQMJTN-PXDRNWIDSA-N 1 1 394.475 0.990 10 0 GCAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275740295 1184994211 /nfs/dbraw/zinc/99/42/11/1184994211.db2.gz QCHSXKBCZMQTHQ-CVEARBPZSA-N 1 1 376.505 0.923 10 0 GCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275740305 1184994346 /nfs/dbraw/zinc/99/43/46/1184994346.db2.gz QCHSXKBCZMQTHQ-JKSUJKDBSA-N 1 1 376.505 0.923 10 0 GCAEMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000580174375 1185104612 /nfs/dbraw/zinc/10/46/12/1185104612.db2.gz LSXVBXNXZYQYGV-HNNXBMFYSA-N 1 1 377.464 0.717 10 0 GCAEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000683829570 1185104933 /nfs/dbraw/zinc/10/49/33/1185104933.db2.gz FJRHYWIDNJUWOV-HNNXBMFYSA-N 1 1 388.534 0.307 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000580178921 1185105873 /nfs/dbraw/zinc/10/58/73/1185105873.db2.gz PTNSCWVTCHZQNF-GOSISDBHSA-N 1 1 390.484 0.640 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000580178924 1185107263 /nfs/dbraw/zinc/10/72/63/1185107263.db2.gz PTNSCWVTCHZQNF-SFHVURJKSA-N 1 1 390.484 0.640 10 0 GCAEMO NS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000683875437 1185168198 /nfs/dbraw/zinc/16/81/98/1185168198.db2.gz UZOPULFCLGLAOH-MRXNPFEDSA-N 1 1 378.498 0.609 10 0 GCAEMO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683878190 1185174106 /nfs/dbraw/zinc/17/41/06/1185174106.db2.gz MSDPSQABERQDSY-OAHLLOKOSA-N 1 1 392.504 0.095 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000155689896 1185180327 /nfs/dbraw/zinc/18/03/27/1185180327.db2.gz YQTKUQSWXHKARN-AWEZNQCLSA-N 1 1 385.472 0.070 10 0 GCAEMO CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000580359904 1185199370 /nfs/dbraw/zinc/19/93/70/1185199370.db2.gz CDZZVZCCEKTVSG-XHSDSOJGSA-N 1 1 388.516 0.745 10 0 GCAEMO COC(=O)CCCCCS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000471577260 1185231308 /nfs/dbraw/zinc/23/13/08/1185231308.db2.gz IMCMSIVYYCWHRF-UHFFFAOYSA-N 1 1 399.517 0.728 10 0 GCAEMO C(=C\C[NH+]1CCN(c2cccnn2)CC1)\CN1CCN(c2cccnn2)CC1 ZINC000255769167 1185363095 /nfs/dbraw/zinc/36/30/95/1185363095.db2.gz HBVUVHPNGXEJJE-UPHRSURJSA-N 1 1 380.500 0.767 10 0 GCAEMO CC(C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000558458341 1185618358 /nfs/dbraw/zinc/61/83/58/1185618358.db2.gz XQZPQLJGBCILEE-GDBMZVCRSA-N 1 1 385.530 0.954 10 0 GCAEMO CC(C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000558458341 1185618364 /nfs/dbraw/zinc/61/83/64/1185618364.db2.gz XQZPQLJGBCILEE-GDBMZVCRSA-N 1 1 385.530 0.954 10 0 GCAEMO Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2=O)n(C)n1 ZINC000276617339 1185929296 /nfs/dbraw/zinc/92/92/96/1185929296.db2.gz JPWZUELTPIIBDH-HUUCEWRRSA-N 1 1 385.472 0.982 10 0 GCAEMO C[NH+]1CCN(CCCCNC(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000548454176 1186142901 /nfs/dbraw/zinc/14/29/01/1186142901.db2.gz DKEXBMRLUNMYMU-UHFFFAOYSA-N 1 1 390.532 0.745 10 0 GCAEMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1(C)C ZINC000072897846 1186523476 /nfs/dbraw/zinc/52/34/76/1186523476.db2.gz AFWPNTCDHUOHSA-YJYMSZOUSA-N 1 1 377.489 0.959 10 0 GCAEMO O=C(C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000152489775 1186527145 /nfs/dbraw/zinc/52/71/45/1186527145.db2.gz WIZIKWCXYOBXCF-INIZCTEOSA-N 1 1 386.500 0.873 10 0 GCAEMO O=C(C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000152489775 1186527149 /nfs/dbraw/zinc/52/71/49/1186527149.db2.gz WIZIKWCXYOBXCF-INIZCTEOSA-N 1 1 386.500 0.873 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@]2(CCCOC2)O1 ZINC000582478847 1186546188 /nfs/dbraw/zinc/54/61/88/1186546188.db2.gz VZXKUNZHZKZHNW-XJPIJLSESA-N 1 1 379.501 0.914 10 0 GCAEMO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000548751224 1186609082 /nfs/dbraw/zinc/60/90/82/1186609082.db2.gz HSXWNBAUZCRDSB-CQSZACIVSA-N 1 1 388.472 0.999 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000154387964 1186789331 /nfs/dbraw/zinc/78/93/31/1186789331.db2.gz KZQBRVHPKWOISH-NSHDSACASA-N 1 1 376.383 0.933 10 0 GCAEMO CN1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)c2)CC1 ZINC000536017085 1186850195 /nfs/dbraw/zinc/85/01/95/1186850195.db2.gz HWYDCYULUWRKDF-UHFFFAOYSA-N 1 1 396.495 0.418 10 0 GCAEMO C[N@H+]1CC[C@@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000545156502 1186884623 /nfs/dbraw/zinc/88/46/23/1186884623.db2.gz RRQAUHJCAYHSSL-GOSISDBHSA-N 1 1 381.498 0.270 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000329276338 1186895316 /nfs/dbraw/zinc/89/53/16/1186895316.db2.gz LCJLOYFRVKWSKI-IYBDPMFKSA-N 1 1 383.514 0.962 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000458714739 1186956744 /nfs/dbraw/zinc/95/67/44/1186956744.db2.gz QNQXUVODFXSKSV-IAGOWNOFSA-N 1 1 390.513 0.556 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000458714739 1186956746 /nfs/dbraw/zinc/95/67/46/1186956746.db2.gz QNQXUVODFXSKSV-IAGOWNOFSA-N 1 1 390.513 0.556 10 0 GCAEMO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000329544500 1186958589 /nfs/dbraw/zinc/95/85/89/1186958589.db2.gz YUWBVKBBRWTVEY-GOSISDBHSA-N 1 1 379.526 0.697 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)NC(=O)NC2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796688 1186967609 /nfs/dbraw/zinc/96/76/09/1186967609.db2.gz SCXMTQDQDHBDAE-FQEVSTJZSA-N 1 1 388.468 0.772 10 0 GCAEMO COC(=O)[C@]1(NCC(=O)NC(=O)NC2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796688 1186967612 /nfs/dbraw/zinc/96/76/12/1186967612.db2.gz SCXMTQDQDHBDAE-FQEVSTJZSA-N 1 1 388.468 0.772 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC12COC2 ZINC000458740546 1186970332 /nfs/dbraw/zinc/97/03/32/1186970332.db2.gz YIRVNGKFQCXADR-CVEARBPZSA-N 1 1 383.489 0.708 10 0 GCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246821732 1187010904 /nfs/dbraw/zinc/01/09/04/1187010904.db2.gz SOSXRSILLORMBW-LNSITVRQSA-N 1 1 385.534 0.645 10 0 GCAEMO CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000297221865 1187123693 /nfs/dbraw/zinc/12/36/93/1187123693.db2.gz HORKWDVTHRMNEP-DLBZAZTESA-N 1 1 395.529 0.660 10 0 GCAEMO CC[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1N1CCOCC1 ZINC000570355594 1187581487 /nfs/dbraw/zinc/58/14/87/1187581487.db2.gz VBHPLUDCECMONL-DWBSNAHUSA-N 1 1 392.544 0.687 10 0 GCAEMO CCNC(=O)N1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000472469623 1187596447 /nfs/dbraw/zinc/59/64/47/1187596447.db2.gz KFGKMALSSONHEB-LSDHHAIUSA-N 1 1 382.509 0.032 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000173965836 1187744950 /nfs/dbraw/zinc/74/49/50/1187744950.db2.gz CEXSPLKUVJTXDX-HUUCEWRRSA-N 1 1 381.439 0.802 10 0 GCAEMO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000658902420 1187746470 /nfs/dbraw/zinc/74/64/70/1187746470.db2.gz WRBVNTHDUKYFPN-GOSISDBHSA-N 1 1 388.468 0.665 10 0 GCAEMO CN1CCO[C@H]2CCN(C(=O)NCc3n[nH]c(COc4ccccc4)n3)C[C@@H]21 ZINC000332783660 1187772287 /nfs/dbraw/zinc/77/22/87/1187772287.db2.gz LITOZFIMSXJPJU-HOTGVXAUSA-N 1 1 386.456 0.998 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332829465 1187787862 /nfs/dbraw/zinc/78/78/62/1187787862.db2.gz PUMSRCSKIBPOPJ-YLFCFFPRSA-N 1 1 399.557 0.697 10 0 GCAEMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC000332889120 1187804472 /nfs/dbraw/zinc/80/44/72/1187804472.db2.gz MGCGWIJTXURKEM-UUAJXVIYSA-N 1 1 399.557 0.695 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000175675026 1187811067 /nfs/dbraw/zinc/81/10/67/1187811067.db2.gz GCPQCGJPNZNOSA-HNNXBMFYSA-N 1 1 384.475 0.948 10 0 GCAEMO c1c[nH]c(N2CCN(c3nccnc3N3CCN(c4[nH]cc[nH+]4)CC3)CC2)n1 ZINC000685916904 1187844968 /nfs/dbraw/zinc/84/49/68/1187844968.db2.gz WXJSUMXYIYFKGU-UHFFFAOYSA-N 1 1 380.460 0.576 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2)CC1 ZINC000648346782 1187959733 /nfs/dbraw/zinc/95/97/33/1187959733.db2.gz FOELHIHDXWLBFE-KRWDZBQOSA-N 1 1 394.497 0.323 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000377952989 1189386171 /nfs/dbraw/zinc/38/61/71/1189386171.db2.gz PLDYLEGQFQTKDA-DLBZAZTESA-N 1 1 382.505 0.422 10 0 GCAEMO CC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1C ZINC000584664217 1189614767 /nfs/dbraw/zinc/61/47/67/1189614767.db2.gz ZPXPJXVICVKHPI-UHFFFAOYSA-N 1 1 388.468 0.759 10 0 GCAEMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000188954818 1189694037 /nfs/dbraw/zinc/69/40/37/1189694037.db2.gz MCNQLXGNXHROSN-UHFFFAOYSA-N 1 1 399.499 0.895 10 0 GCAEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000188954818 1189694041 /nfs/dbraw/zinc/69/40/41/1189694041.db2.gz MCNQLXGNXHROSN-UHFFFAOYSA-N 1 1 399.499 0.895 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC000408462108 1193880847 /nfs/dbraw/zinc/88/08/47/1193880847.db2.gz CHVSSTPQZCWTPF-OAGGEKHMSA-N 1 1 396.513 0.855 10 0 GCAEMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCSC[C@@H]1CCO ZINC000549939616 1193957280 /nfs/dbraw/zinc/95/72/80/1193957280.db2.gz WIPQYQLVAMWEFZ-INIZCTEOSA-N 1 1 399.557 0.464 10 0 GCAEMO CC(=O)N[C@](C)(C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000280639362 1194011042 /nfs/dbraw/zinc/01/10/42/1194011042.db2.gz VDKDCLWOPJCGHM-IBGZPJMESA-N 1 1 393.509 0.748 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)c1 ZINC000503134355 1194394316 /nfs/dbraw/zinc/39/43/16/1194394316.db2.gz KNTIHMSKFGKCOY-AWEZNQCLSA-N 1 1 397.497 0.035 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000271799579 1194413260 /nfs/dbraw/zinc/41/32/60/1194413260.db2.gz JVQWEYIZXMEXMS-JKSUJKDBSA-N 1 1 390.488 0.832 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000271799575 1194413520 /nfs/dbraw/zinc/41/35/20/1194413520.db2.gz JVQWEYIZXMEXMS-HOTGVXAUSA-N 1 1 390.488 0.832 10 0 GCAEMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCCCS3(=O)=O)c2)CC1 ZINC000273456100 1194565640 /nfs/dbraw/zinc/56/56/40/1194565640.db2.gz HYHRCLJXMWHIJO-QGZVFWFLSA-N 1 1 393.509 0.909 10 0 GCAEMO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434779723 1194868865 /nfs/dbraw/zinc/86/88/65/1194868865.db2.gz WQMYCWBLAMFYAI-LJQANCHMSA-N 1 1 390.440 0.336 10 0 GCAEMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434779723 1194868869 /nfs/dbraw/zinc/86/88/69/1194868869.db2.gz WQMYCWBLAMFYAI-LJQANCHMSA-N 1 1 390.440 0.336 10 0 GCAEMO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000434797576 1194869409 /nfs/dbraw/zinc/86/94/09/1194869409.db2.gz YYCBYPACYPPIPT-IBGZPJMESA-N 1 1 389.431 0.148 10 0 GCAEMO C[C@@H]1CCc2nc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)sc2C1 ZINC000434771901 1194869527 /nfs/dbraw/zinc/86/95/27/1194869527.db2.gz DRQIDQADRLEYLU-GFCCVEGCSA-N 1 1 393.513 0.487 10 0 GCAEMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000434799461 1194870248 /nfs/dbraw/zinc/87/02/48/1194870248.db2.gz SSXRQALSLGQLGJ-RDTXWAMCSA-N 1 1 376.413 0.059 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000516569506 1195068368 /nfs/dbraw/zinc/06/83/68/1195068368.db2.gz RHTBPTXAIKAGON-KRWDZBQOSA-N 1 1 385.461 0.718 10 0 GCAEMO CCOC[C@H](O)C[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506595291 1195325887 /nfs/dbraw/zinc/32/58/87/1195325887.db2.gz QERNPPHKOHIZEZ-SJORKVTESA-N 1 1 379.505 0.239 10 0 GCAEMO Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@H](O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506632538 1195337987 /nfs/dbraw/zinc/33/79/87/1195337987.db2.gz BXXIELGHWMWJQP-ZWKOTPCHSA-N 1 1 393.532 0.627 10 0 GCAEMO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)CN1CC[NH+](C)CC1 ZINC000440062141 1195381633 /nfs/dbraw/zinc/38/16/33/1195381633.db2.gz LPFOXEMGKUMLQB-OAHLLOKOSA-N 1 1 387.484 0.362 10 0 GCAEMO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1=NS(=O)(=O)c2ccccc21 ZINC000262046274 1195450525 /nfs/dbraw/zinc/45/05/25/1195450525.db2.gz UNYUUELHYGKKGD-MRXNPFEDSA-N 1 1 399.476 0.635 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000519680201 1195562540 /nfs/dbraw/zinc/56/25/40/1195562540.db2.gz LFJRJBFWLFQKSC-QEEYODRMSA-N 1 1 391.468 0.196 10 0 GCAEMO CO[C@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000519690046 1195565038 /nfs/dbraw/zinc/56/50/38/1195565038.db2.gz DPBXFXCZLVSYNU-WMZOPIPTSA-N 1 1 389.500 0.394 10 0 GCAEMO CN(C)c1nccc(N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000440651483 1195570263 /nfs/dbraw/zinc/57/02/63/1195570263.db2.gz KNYDUNVVHNZQRY-HNNXBMFYSA-N 1 1 382.534 0.336 10 0 GCAEMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000441073263 1195601167 /nfs/dbraw/zinc/60/11/67/1195601167.db2.gz ZXQFMTNKMBMWHA-STQMWFEESA-N 1 1 382.486 0.474 10 0 GCAEMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000441073263 1195601169 /nfs/dbraw/zinc/60/11/69/1195601169.db2.gz ZXQFMTNKMBMWHA-STQMWFEESA-N 1 1 382.486 0.474 10 0 GCAEMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000441073261 1195601565 /nfs/dbraw/zinc/60/15/65/1195601565.db2.gz ZXQFMTNKMBMWHA-OLZOCXBDSA-N 1 1 382.486 0.474 10 0 GCAEMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000441073261 1195601569 /nfs/dbraw/zinc/60/15/69/1195601569.db2.gz ZXQFMTNKMBMWHA-OLZOCXBDSA-N 1 1 382.486 0.474 10 0 GCAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509817 1195638822 /nfs/dbraw/zinc/63/88/22/1195638822.db2.gz JDSCFJZLCOADQV-UWVGGRQHSA-N 1 1 378.404 0.736 10 0 GCAEMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnn(C4CCOCC4)c3)[C@H]2C1 ZINC000328837676 1195669973 /nfs/dbraw/zinc/66/99/73/1195669973.db2.gz NDRRWRMSWIQWQQ-DLBZAZTESA-N 1 1 384.502 0.718 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnn(C4CCOCC4)c3)[C@H]2C1 ZINC000328837676 1195669976 /nfs/dbraw/zinc/66/99/76/1195669976.db2.gz NDRRWRMSWIQWQQ-DLBZAZTESA-N 1 1 384.502 0.718 10 0 GCAEMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188816018 1195739060 /nfs/dbraw/zinc/73/90/60/1195739060.db2.gz JPHAZKNGALKROD-BFUOFWGJSA-N 1 1 390.459 0.879 10 0 GCAEMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188816018 1195739064 /nfs/dbraw/zinc/73/90/64/1195739064.db2.gz JPHAZKNGALKROD-BFUOFWGJSA-N 1 1 390.459 0.879 10 0 GCAEMO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808661 1195923824 /nfs/dbraw/zinc/92/38/24/1195923824.db2.gz PFFWMPJFQOLAGL-AWEZNQCLSA-N 1 1 386.452 0.953 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808661 1195923825 /nfs/dbraw/zinc/92/38/25/1195923825.db2.gz PFFWMPJFQOLAGL-AWEZNQCLSA-N 1 1 386.452 0.953 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000550457452 1195979899 /nfs/dbraw/zinc/97/98/99/1195979899.db2.gz KKSGZKUSVZOQCY-OXQOHEQNSA-N 1 1 397.516 0.256 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000550576554 1196091807 /nfs/dbraw/zinc/09/18/07/1196091807.db2.gz HWRUXESCGRPIEL-ILXRZTDVSA-N 1 1 382.505 0.070 10 0 GCAEMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000114379531 1196097496 /nfs/dbraw/zinc/09/74/96/1196097496.db2.gz OEXIVYTVJSOSHW-AEFFLSMTSA-N 1 1 375.517 0.836 10 0 GCAEMO Cn1ccnc1CN1CCN(CC[NH+]2CCN(Cc3nccn3C)CC2)CC1 ZINC000114720623 1196109476 /nfs/dbraw/zinc/10/94/76/1196109476.db2.gz RILZBHZJGIPGHF-UHFFFAOYSA-N 1 1 386.548 0.089 10 0 GCAEMO CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@]2(CCOC2)O1 ZINC000474357619 1196111641 /nfs/dbraw/zinc/11/16/41/1196111641.db2.gz QNWLILQBDYBNLC-BEFAXECRSA-N 1 1 382.505 0.553 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)[C@H]2C1 ZINC000329399313 1196192462 /nfs/dbraw/zinc/19/24/62/1196192462.db2.gz XHESRGYZGPZSOJ-LSDHHAIUSA-N 1 1 378.473 0.767 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645587 1196215026 /nfs/dbraw/zinc/21/50/26/1196215026.db2.gz DJNBBOOEDUQEFJ-KZNAEPCWSA-N 1 1 380.533 0.641 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)cc[nH+]1 ZINC000444097863 1196335510 /nfs/dbraw/zinc/33/55/10/1196335510.db2.gz WCMWGPBYIZSYBQ-UHFFFAOYSA-N 1 1 381.444 0.629 10 0 GCAEMO CCOCC[C@@H](O)C[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000444684476 1196512857 /nfs/dbraw/zinc/51/28/57/1196512857.db2.gz KCZUFXMWNIPTTD-MSOLQXFVSA-N 1 1 393.532 0.629 10 0 GCAEMO CC[NH+]1CCN(CCCCNC(=O)N2CCN(Cc3nc(C)no3)CC2)CC1 ZINC000523410976 1196522074 /nfs/dbraw/zinc/52/20/74/1196522074.db2.gz JLQVUBRJZRTGAT-UHFFFAOYSA-N 1 1 393.536 0.623 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000445203728 1196560735 /nfs/dbraw/zinc/56/07/35/1196560735.db2.gz NTJMKHNLEPQTFP-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000445203728 1196560741 /nfs/dbraw/zinc/56/07/41/1196560741.db2.gz NTJMKHNLEPQTFP-AWEZNQCLSA-N 1 1 390.484 0.911 10 0 GCAEMO CCC(=O)N[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523915959 1196566183 /nfs/dbraw/zinc/56/61/83/1196566183.db2.gz NAUCOAVHNOERMH-JKSUJKDBSA-N 1 1 381.521 0.629 10 0 GCAEMO COc1ccc2c(c1)ncc(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c2O ZINC000524137168 1196578324 /nfs/dbraw/zinc/57/83/24/1196578324.db2.gz GCNAIFIUQSXBAM-ZDUSSCGKSA-N 1 1 386.452 0.854 10 0 GCAEMO CN(C(=O)CN1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000524156446 1196579937 /nfs/dbraw/zinc/57/99/37/1196579937.db2.gz QACDSMBKAVYNHH-WOJBJXKFSA-N 1 1 397.560 0.952 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000524168593 1196580352 /nfs/dbraw/zinc/58/03/52/1196580352.db2.gz LFNKGOBOKKFXML-GVDBMIGSSA-N 1 1 378.517 0.836 10 0 GCAEMO CCn1nc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C)c2ccccc2c1=O ZINC000508556209 1196615936 /nfs/dbraw/zinc/61/59/36/1196615936.db2.gz HBYSYBQHXOMBIN-AWEZNQCLSA-N 1 1 395.467 0.733 10 0 GCAEMO CCn1nc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C)c2ccccc2c1=O ZINC000508556209 1196615937 /nfs/dbraw/zinc/61/59/37/1196615937.db2.gz HBYSYBQHXOMBIN-AWEZNQCLSA-N 1 1 395.467 0.733 10 0 GCAEMO COc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000524771920 1196623622 /nfs/dbraw/zinc/62/36/22/1196623622.db2.gz MNXNDEZBKKYETP-UHFFFAOYSA-N 1 1 384.440 0.839 10 0 GCAEMO COC(=O)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000525218169 1196657681 /nfs/dbraw/zinc/65/76/81/1196657681.db2.gz JELBQKGXXMNSOO-HOTGVXAUSA-N 1 1 381.473 0.111 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000525305577 1196666982 /nfs/dbraw/zinc/66/69/82/1196666982.db2.gz VFNHRSSOLWITFL-OAHLLOKOSA-N 1 1 379.509 0.089 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000525611928 1196694927 /nfs/dbraw/zinc/69/49/27/1196694927.db2.gz VXFWEPLDMGZNOF-BXUZGUMPSA-N 1 1 387.477 0.823 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc[nH+]1 ZINC000525801227 1196710716 /nfs/dbraw/zinc/71/07/16/1196710716.db2.gz KQWMMLXTHUEWKS-UHFFFAOYSA-N 1 1 395.423 0.035 10 0 GCAEMO CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000121426629 1196960933 /nfs/dbraw/zinc/96/09/33/1196960933.db2.gz ASPMPMPGCBXXHF-UHFFFAOYSA-N 1 1 388.512 0.700 10 0 GCAEMO CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000121426629 1196960935 /nfs/dbraw/zinc/96/09/35/1196960935.db2.gz ASPMPMPGCBXXHF-UHFFFAOYSA-N 1 1 388.512 0.700 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)CC12COC2 ZINC000451138661 1196972958 /nfs/dbraw/zinc/97/29/58/1196972958.db2.gz QYGUNAPBZBJUMU-CQSZACIVSA-N 1 1 382.457 0.490 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)CC12COC2 ZINC000451138661 1196972963 /nfs/dbraw/zinc/97/29/63/1196972963.db2.gz QYGUNAPBZBJUMU-CQSZACIVSA-N 1 1 382.457 0.490 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCCOc2cccc(F)c2)CC12COC2 ZINC000451141277 1196973029 /nfs/dbraw/zinc/97/30/29/1196973029.db2.gz VBBQTTYIDJHFRV-MRXNPFEDSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCCOc2cccc(F)c2)CC12COC2 ZINC000451141277 1196973032 /nfs/dbraw/zinc/97/30/32/1196973032.db2.gz VBBQTTYIDJHFRV-MRXNPFEDSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC12COC2 ZINC000451138905 1196973060 /nfs/dbraw/zinc/97/30/60/1196973060.db2.gz RGTMGDJXGHBMDO-LSDHHAIUSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC12COC2 ZINC000451138905 1196973063 /nfs/dbraw/zinc/97/30/63/1196973063.db2.gz RGTMGDJXGHBMDO-LSDHHAIUSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)CC12COC2 ZINC000451138660 1196973094 /nfs/dbraw/zinc/97/30/94/1196973094.db2.gz QYGUNAPBZBJUMU-AWEZNQCLSA-N 1 1 382.457 0.490 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)CC12COC2 ZINC000451138660 1196973097 /nfs/dbraw/zinc/97/30/97/1196973097.db2.gz QYGUNAPBZBJUMU-AWEZNQCLSA-N 1 1 382.457 0.490 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCCCN2CCCCCC2=O)CC12COC2 ZINC000451138927 1196973147 /nfs/dbraw/zinc/97/31/47/1196973147.db2.gz RJCXYSBESDEVKL-INIZCTEOSA-N 1 1 395.500 0.407 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCCCC2=O)CC12COC2 ZINC000451138927 1196973148 /nfs/dbraw/zinc/97/31/48/1196973148.db2.gz RJCXYSBESDEVKL-INIZCTEOSA-N 1 1 395.500 0.407 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC12COC2 ZINC000451122916 1196973660 /nfs/dbraw/zinc/97/36/60/1196973660.db2.gz BGKYSUFDDCGRDR-ILXRZTDVSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC12COC2 ZINC000451122916 1196973662 /nfs/dbraw/zinc/97/36/62/1196973662.db2.gz BGKYSUFDDCGRDR-ILXRZTDVSA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12COC2 ZINC000451128618 1196974073 /nfs/dbraw/zinc/97/40/73/1196974073.db2.gz BXTRLFLJYVGVTR-CQSZACIVSA-N 1 1 376.409 0.543 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12COC2 ZINC000451128618 1196974075 /nfs/dbraw/zinc/97/40/75/1196974075.db2.gz BXTRLFLJYVGVTR-CQSZACIVSA-N 1 1 376.409 0.543 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129580 1196974119 /nfs/dbraw/zinc/97/41/19/1196974119.db2.gz CXWOWHBSEWHPNM-WFASDCNBSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129580 1196974120 /nfs/dbraw/zinc/97/41/20/1196974120.db2.gz CXWOWHBSEWHPNM-WFASDCNBSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC12COC2 ZINC000451132605 1196974484 /nfs/dbraw/zinc/97/44/84/1196974484.db2.gz JAWSADSAEDBUKD-HOCLYGCPSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131628 1196974725 /nfs/dbraw/zinc/97/47/25/1196974725.db2.gz HLVPQMGYNLICMA-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131628 1196974728 /nfs/dbraw/zinc/97/47/28/1196974728.db2.gz HLVPQMGYNLICMA-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451136344 1196974759 /nfs/dbraw/zinc/97/47/59/1196974759.db2.gz NKSWYXQMDSXJED-HNNXBMFYSA-N 1 1 375.425 0.626 10 0 GCAEMO O=C(C[N@@H+]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463108 1197036879 /nfs/dbraw/zinc/03/68/79/1197036879.db2.gz HCJWWDQOJQORJS-RTBURBONSA-N 1 1 392.544 0.787 10 0 GCAEMO O=C(C[N@H+]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463108 1197036883 /nfs/dbraw/zinc/03/68/83/1197036883.db2.gz HCJWWDQOJQORJS-RTBURBONSA-N 1 1 392.544 0.787 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268690 1197049471 /nfs/dbraw/zinc/04/94/71/1197049471.db2.gz XFJQPKLILZJXNT-ZWKOTPCHSA-N 1 1 388.464 0.926 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268690 1197049475 /nfs/dbraw/zinc/04/94/75/1197049475.db2.gz XFJQPKLILZJXNT-ZWKOTPCHSA-N 1 1 388.464 0.926 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000428519393 1197176603 /nfs/dbraw/zinc/17/66/03/1197176603.db2.gz CICJVONUKROYOJ-CQSZACIVSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000428519393 1197176605 /nfs/dbraw/zinc/17/66/05/1197176605.db2.gz CICJVONUKROYOJ-CQSZACIVSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000428519390 1197176708 /nfs/dbraw/zinc/17/67/08/1197176708.db2.gz CICJVONUKROYOJ-AWEZNQCLSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000428519390 1197176711 /nfs/dbraw/zinc/17/67/11/1197176711.db2.gz CICJVONUKROYOJ-AWEZNQCLSA-N 1 1 397.497 0.083 10 0 GCAEMO Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n1 ZINC000173485434 1197177318 /nfs/dbraw/zinc/17/73/18/1197177318.db2.gz HVUAXXSKMPJOMJ-HOTGVXAUSA-N 1 1 375.473 0.486 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173969687 1197178389 /nfs/dbraw/zinc/17/83/89/1197178389.db2.gz ZDBZSWUISVAZMX-GFCCVEGCSA-N 1 1 378.395 0.068 10 0 GCAEMO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173906491 1197179843 /nfs/dbraw/zinc/17/98/43/1197179843.db2.gz ZSXLGUJCNKPZNP-IRXDYDNUSA-N 1 1 390.484 0.359 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173906505 1197179851 /nfs/dbraw/zinc/17/98/51/1197179851.db2.gz ZSXLGUJCNKPZNP-SJORKVTESA-N 1 1 390.484 0.359 10 0 GCAEMO Cn1nc2c(cc1=O)CN(C(=O)CN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000174449641 1197181272 /nfs/dbraw/zinc/18/12/72/1197181272.db2.gz HMTLSRWDYCOKTN-UHFFFAOYSA-N 1 1 381.480 0.483 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175715640 1197184158 /nfs/dbraw/zinc/18/41/58/1197184158.db2.gz HOQLKRNHQWSMFO-MSOLQXFVSA-N 1 1 391.564 0.962 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2F)CC1 ZINC000177499863 1197190404 /nfs/dbraw/zinc/19/04/04/1197190404.db2.gz HMSZTCIGXDMBMS-OAHLLOKOSA-N 1 1 375.448 0.817 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)NC[C@H]4C3)cc2F)CC1 ZINC000177499877 1197190459 /nfs/dbraw/zinc/19/04/59/1197190459.db2.gz HMSZTCIGXDMBMS-HNNXBMFYSA-N 1 1 375.448 0.817 10 0 GCAEMO COC(=O)CC[N@@H+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000180841153 1197202443 /nfs/dbraw/zinc/20/24/43/1197202443.db2.gz VAMKVXHCVSRFOM-INIZCTEOSA-N 1 1 391.516 0.728 10 0 GCAEMO COC(=O)CC[N@H+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000180841153 1197202448 /nfs/dbraw/zinc/20/24/48/1197202448.db2.gz VAMKVXHCVSRFOM-INIZCTEOSA-N 1 1 391.516 0.728 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183083689 1197208591 /nfs/dbraw/zinc/20/85/91/1197208591.db2.gz BDVYJPPBMRMTFE-KRWDZBQOSA-N 1 1 377.537 0.668 10 0 GCAEMO COc1cccc([C@@H]2[C@H](NC(=O)Cn3ccc(=O)n(C)c3=O)CC[N@H+]2C2CC2)c1 ZINC000183272101 1197209269 /nfs/dbraw/zinc/20/92/69/1197209269.db2.gz MHVKEVQUZSCHPL-YLJYHZDGSA-N 1 1 398.463 0.650 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000184808061 1197212820 /nfs/dbraw/zinc/21/28/20/1197212820.db2.gz MBSANHFZEXHNFB-GOSISDBHSA-N 1 1 388.516 0.902 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)CC1 ZINC000185976200 1197226801 /nfs/dbraw/zinc/22/68/01/1197226801.db2.gz DYLFIQUVDOOWDR-UHFFFAOYSA-N 1 1 380.514 0.834 10 0 GCAEMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1cccnc1 ZINC000188124425 1197232440 /nfs/dbraw/zinc/23/24/40/1197232440.db2.gz BRYKAJORZRSNNF-OAQYLSRUSA-N 1 1 382.464 0.907 10 0 GCAEMO C[C@@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC[N@@H+]1CCO ZINC000188700797 1197234022 /nfs/dbraw/zinc/23/40/22/1197234022.db2.gz UGOCFJVKKZUBHQ-CQSZACIVSA-N 1 1 376.432 0.829 10 0 GCAEMO C[C@@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC[N@H+]1CCO ZINC000188700797 1197234024 /nfs/dbraw/zinc/23/40/24/1197234024.db2.gz UGOCFJVKKZUBHQ-CQSZACIVSA-N 1 1 376.432 0.829 10 0 GCAEMO COCCN1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1=O ZINC000188914511 1197234652 /nfs/dbraw/zinc/23/46/52/1197234652.db2.gz LQHQWFDKBFCPOT-UHFFFAOYSA-N 1 1 380.514 0.997 10 0 GCAEMO COCCN1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1=O ZINC000188914511 1197234654 /nfs/dbraw/zinc/23/46/54/1197234654.db2.gz LQHQWFDKBFCPOT-UHFFFAOYSA-N 1 1 380.514 0.997 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171528247 1197239692 /nfs/dbraw/zinc/23/96/92/1197239692.db2.gz NRULRMOGEBFLBY-CVEARBPZSA-N 1 1 386.456 0.881 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(N3CCCCC3=O)CC2)C1 ZINC000120443735 1197341750 /nfs/dbraw/zinc/34/17/50/1197341750.db2.gz YHMSKIYCEGAIGS-IBGZPJMESA-N 1 1 394.560 0.936 10 0 GCAEMO C[C@H](CN1CCOCC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000122007397 1197349313 /nfs/dbraw/zinc/34/93/13/1197349313.db2.gz BAKWUGBMAXFWRP-KAKFPZCNSA-N 1 1 379.549 0.660 10 0 GCAEMO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127294500 1197360662 /nfs/dbraw/zinc/36/06/62/1197360662.db2.gz GPRRXFBFKZSDKL-VPSFDDGASA-N 1 1 386.562 0.762 10 0 GCAEMO CCN1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000130489431 1197372169 /nfs/dbraw/zinc/37/21/69/1197372169.db2.gz VVUKZXYWDTUYKD-NVXWUHKLSA-N 1 1 392.887 0.892 10 0 GCAEMO CCN1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000130489431 1197372173 /nfs/dbraw/zinc/37/21/73/1197372173.db2.gz VVUKZXYWDTUYKD-NVXWUHKLSA-N 1 1 392.887 0.892 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000459341017 1197374830 /nfs/dbraw/zinc/37/48/30/1197374830.db2.gz DIGZWEOJKKONPU-UHFFFAOYSA-N 1 1 385.534 0.942 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000459341017 1197374834 /nfs/dbraw/zinc/37/48/34/1197374834.db2.gz DIGZWEOJKKONPU-UHFFFAOYSA-N 1 1 385.534 0.942 10 0 GCAEMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000130933591 1197374944 /nfs/dbraw/zinc/37/49/44/1197374944.db2.gz ZJIZQKCTUKYWFZ-KRWDZBQOSA-N 1 1 386.562 0.288 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@@H]2c2cccn2C)C1 ZINC000131709421 1197377857 /nfs/dbraw/zinc/37/78/57/1197377857.db2.gz FOEMLYIXCSMNCI-IEBWSBKVSA-N 1 1 378.517 0.871 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1S(N)(=O)=O ZINC000532688490 1197384436 /nfs/dbraw/zinc/38/44/36/1197384436.db2.gz YGGOOTNIKZWOPC-HIFRSBDPSA-N 1 1 399.488 0.967 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NCCNC(=O)c2ccc(O)cc2)CC1 ZINC000193756376 1197397466 /nfs/dbraw/zinc/39/74/66/1197397466.db2.gz LEZMFSPUKDKXDX-UHFFFAOYSA-N 1 1 385.468 0.884 10 0 GCAEMO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532729746 1197406556 /nfs/dbraw/zinc/40/65/56/1197406556.db2.gz KJHUDYMRPUYWNH-CQSZACIVSA-N 1 1 377.493 0.535 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1=O ZINC000245896842 1197437464 /nfs/dbraw/zinc/43/74/64/1197437464.db2.gz PJLMVUDCULMETJ-YOEHRIQHSA-N 1 1 376.844 0.762 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1=O ZINC000245896842 1197437465 /nfs/dbraw/zinc/43/74/65/1197437465.db2.gz PJLMVUDCULMETJ-YOEHRIQHSA-N 1 1 376.844 0.762 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246019776 1197442994 /nfs/dbraw/zinc/44/29/94/1197442994.db2.gz NVLRSUQCDSKFCJ-HOTGVXAUSA-N 1 1 395.529 0.734 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NCC(=O)c3cccs3)CC2)cc[nH+]1 ZINC000533394522 1197449638 /nfs/dbraw/zinc/44/96/38/1197449638.db2.gz ALIRFIHCZIKOQW-UHFFFAOYSA-N 1 1 388.497 0.725 10 0 GCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000533593334 1197460922 /nfs/dbraw/zinc/46/09/22/1197460922.db2.gz OGAARENHFHVIIP-CQSZACIVSA-N 1 1 378.477 0.034 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000073618506 1197470423 /nfs/dbraw/zinc/47/04/23/1197470423.db2.gz ISUOHBNCSBTJSV-QGZVFWFLSA-N 1 1 377.537 0.714 10 0 GCAEMO CN(C)CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000073619141 1197470433 /nfs/dbraw/zinc/47/04/33/1197470433.db2.gz DJHAIJIPYSDACF-LJQANCHMSA-N 1 1 381.565 0.909 10 0 GCAEMO COCc1ccc(CNC(=O)CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000076945244 1197484467 /nfs/dbraw/zinc/48/44/67/1197484467.db2.gz YASHTMPSRXXLBT-UHFFFAOYSA-N 1 1 376.501 0.545 10 0 GCAEMO COCc1ccc(CNC(=O)CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000076945244 1197484468 /nfs/dbraw/zinc/48/44/68/1197484468.db2.gz YASHTMPSRXXLBT-UHFFFAOYSA-N 1 1 376.501 0.545 10 0 GCAEMO CC[C@H](C)[C@@H](NC(=O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(=O)OC ZINC000252442773 1197493179 /nfs/dbraw/zinc/49/31/79/1197493179.db2.gz DPMSGASCQCDPPI-YQVWRLOYSA-N 1 1 382.549 0.792 10 0 GCAEMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261926688 1197519251 /nfs/dbraw/zinc/51/92/51/1197519251.db2.gz JCUKAVCGYMWTED-INIZCTEOSA-N 1 1 375.454 0.318 10 0 GCAEMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261962683 1197521150 /nfs/dbraw/zinc/52/11/50/1197521150.db2.gz MQNMIKPTOVEAMS-INIZCTEOSA-N 1 1 377.470 0.883 10 0 GCAEMO C[NH2+][C@@H](C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnn(C)c1 ZINC000262002590 1197522323 /nfs/dbraw/zinc/52/23/23/1197522323.db2.gz BDYQTYFRLWLTLI-OAHLLOKOSA-N 1 1 381.433 0.998 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000262091565 1197524678 /nfs/dbraw/zinc/52/46/78/1197524678.db2.gz LKLZZOOFCZQXQW-AWEZNQCLSA-N 1 1 378.439 0.931 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262091565 1197524681 /nfs/dbraw/zinc/52/46/81/1197524681.db2.gz LKLZZOOFCZQXQW-AWEZNQCLSA-N 1 1 378.439 0.931 10 0 GCAEMO O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262559577 1197534878 /nfs/dbraw/zinc/53/48/78/1197534878.db2.gz XWGPITZROSMPFU-HZPDHXFCSA-N 1 1 394.541 0.501 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CCN3CCOC[C@@H]3C2)c2cccs2)CC1 ZINC000542730721 1199019407 /nfs/dbraw/zinc/01/94/07/1199019407.db2.gz WGISWTJVAHEQHX-IRXDYDNUSA-N 1 1 393.557 0.763 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000542793157 1199047305 /nfs/dbraw/zinc/04/73/05/1199047305.db2.gz SBDPNSACKMAOOL-GOSISDBHSA-N 1 1 395.525 0.621 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000542793157 1199047309 /nfs/dbraw/zinc/04/73/09/1199047309.db2.gz SBDPNSACKMAOOL-GOSISDBHSA-N 1 1 395.525 0.621 10 0 GCAEMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000542884154 1199136061 /nfs/dbraw/zinc/13/60/61/1199136061.db2.gz UAHFHKJTKRSINL-OKZBNKHCSA-N 1 1 390.546 0.869 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000672223447 1199164210 /nfs/dbraw/zinc/16/42/10/1199164210.db2.gz FSOYSUGGNGLDIL-KGLIPLIRSA-N 1 1 379.530 0.913 10 0 GCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000672223447 1199164211 /nfs/dbraw/zinc/16/42/11/1199164211.db2.gz FSOYSUGGNGLDIL-KGLIPLIRSA-N 1 1 379.530 0.913 10 0 GCAEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000672311630 1199204951 /nfs/dbraw/zinc/20/49/51/1199204951.db2.gz MHCNCZAFCAIQFY-ROUUACIJSA-N 1 1 384.480 0.677 10 0 GCAEMO Cn1cc(CNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000672491092 1199245223 /nfs/dbraw/zinc/24/52/23/1199245223.db2.gz ULSFMJRWQAWUHS-LJQANCHMSA-N 1 1 383.500 0.917 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000672597905 1199279968 /nfs/dbraw/zinc/27/99/68/1199279968.db2.gz GFLZDELBUXYRHM-ZIAGYGMSSA-N 1 1 390.450 0.930 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000672688160 1199316888 /nfs/dbraw/zinc/31/68/88/1199316888.db2.gz LVWOMULWVYALAI-MRXNPFEDSA-N 1 1 390.550 0.314 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078031167 1199355993 /nfs/dbraw/zinc/35/59/93/1199355993.db2.gz YFBJTMMGMBAOPF-GOSISDBHSA-N 1 1 375.517 0.821 10 0 GCAEMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078031167 1199355994 /nfs/dbraw/zinc/35/59/94/1199355994.db2.gz YFBJTMMGMBAOPF-GOSISDBHSA-N 1 1 375.517 0.821 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078031167 1199355999 /nfs/dbraw/zinc/35/59/99/1199355999.db2.gz YFBJTMMGMBAOPF-GOSISDBHSA-N 1 1 375.517 0.821 10 0 GCAEMO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)cn1 ZINC000672890282 1199361964 /nfs/dbraw/zinc/36/19/64/1199361964.db2.gz KNHRNTLYWWXJRH-RYRKJORJSA-N 1 1 388.516 0.448 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000673178000 1199462731 /nfs/dbraw/zinc/46/27/31/1199462731.db2.gz POYHILDHEODNDA-MRXNPFEDSA-N 1 1 376.501 0.590 10 0 GCAEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323049 1199542692 /nfs/dbraw/zinc/54/26/92/1199542692.db2.gz ZOORYUSOGNJAOQ-RDJZCZTQSA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323049 1199542699 /nfs/dbraw/zinc/54/26/99/1199542699.db2.gz ZOORYUSOGNJAOQ-RDJZCZTQSA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323050 1199542717 /nfs/dbraw/zinc/54/27/17/1199542717.db2.gz ZOORYUSOGNJAOQ-WBVHZDCISA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323050 1199542721 /nfs/dbraw/zinc/54/27/21/1199542721.db2.gz ZOORYUSOGNJAOQ-WBVHZDCISA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000116994695 1199654498 /nfs/dbraw/zinc/65/44/98/1199654498.db2.gz PWSZAYSJPDEEHD-AEFFLSMTSA-N 1 1 394.541 0.515 10 0 GCAEMO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673525226 1199731041 /nfs/dbraw/zinc/73/10/41/1199731041.db2.gz WQYTUHJVLMLJRK-IAGOWNOFSA-N 1 1 376.501 0.733 10 0 GCAEMO Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)CC2=O)cc1 ZINC000186635775 1199901849 /nfs/dbraw/zinc/90/18/49/1199901849.db2.gz DVSINOREQBWVMU-AEFFLSMTSA-N 1 1 384.480 0.771 10 0 GCAEMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N(C)Cc3nnnn3C)C2)cc(OC)c1 ZINC000466605748 1200117648 /nfs/dbraw/zinc/11/76/48/1200117648.db2.gz CWXJYRYCZOKECS-AWEZNQCLSA-N 1 1 389.460 0.643 10 0 GCAEMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N(C)Cc3nnnn3C)C2)cc(OC)c1 ZINC000466605748 1200117652 /nfs/dbraw/zinc/11/76/52/1200117652.db2.gz CWXJYRYCZOKECS-AWEZNQCLSA-N 1 1 389.460 0.643 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675655833 1200449750 /nfs/dbraw/zinc/44/97/50/1200449750.db2.gz CGUMTGOFZPPQTK-KZNAEPCWSA-N 1 1 394.516 0.709 10 0 GCAEMO CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[NH+]1CCC1 ZINC000704352662 1200451653 /nfs/dbraw/zinc/45/16/53/1200451653.db2.gz PZPYYCYZVPBXDX-UHFFFAOYSA-N 1 1 379.482 0.934 10 0 GCAEMO CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000676093813 1200485614 /nfs/dbraw/zinc/48/56/14/1200485614.db2.gz VKVVTIASKFZMJM-QGZVFWFLSA-N 1 1 390.463 0.941 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1C ZINC000676259755 1200520598 /nfs/dbraw/zinc/52/05/98/1200520598.db2.gz AZECRDZPPAMFJX-DOTOQJQBSA-N 1 1 383.514 0.759 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000676259755 1200520601 /nfs/dbraw/zinc/52/06/01/1200520601.db2.gz AZECRDZPPAMFJX-DOTOQJQBSA-N 1 1 383.514 0.759 10 0 GCAEMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280184 1200528326 /nfs/dbraw/zinc/52/83/26/1200528326.db2.gz HOUCDPWEYCYXFM-PBHICJAKSA-N 1 1 376.457 0.297 10 0 GCAEMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280184 1200528337 /nfs/dbraw/zinc/52/83/37/1200528337.db2.gz HOUCDPWEYCYXFM-PBHICJAKSA-N 1 1 376.457 0.297 10 0 GCAEMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676280185 1200529426 /nfs/dbraw/zinc/52/94/26/1200529426.db2.gz HOUCDPWEYCYXFM-RHSMWYFYSA-N 1 1 376.457 0.297 10 0 GCAEMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280185 1200529434 /nfs/dbraw/zinc/52/94/34/1200529434.db2.gz HOUCDPWEYCYXFM-RHSMWYFYSA-N 1 1 376.457 0.297 10 0 GCAEMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H]1Cc1ccccc1 ZINC000551481436 1200681133 /nfs/dbraw/zinc/68/11/33/1200681133.db2.gz WSXJLVRKWGHLTO-MRXNPFEDSA-N 1 1 384.484 1.357 10 0 GCAEMO C[N@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H]1Cc1ccccc1 ZINC000551481436 1200681136 /nfs/dbraw/zinc/68/11/36/1200681136.db2.gz WSXJLVRKWGHLTO-MRXNPFEDSA-N 1 1 384.484 1.357 10 0 GCAEMO Cc1cn2cc(C(=O)N3CC[C@H]([N@H+](C)Cc4cc(=O)[nH]c(N)n4)C3)sc2n1 ZINC000548680011 1201150441 /nfs/dbraw/zinc/15/04/41/1201150441.db2.gz AKLOFNHRMFRIHP-LBPRGKRZSA-N 1 1 387.469 1.129 10 0 GCAEMO Cc1cn2cc(C(=O)N3CC[C@H]([N@@H+](C)Cc4cc(=O)[nH]c(N)n4)C3)sc2n1 ZINC000548680011 1201150442 /nfs/dbraw/zinc/15/04/42/1201150442.db2.gz AKLOFNHRMFRIHP-LBPRGKRZSA-N 1 1 387.469 1.129 10 0 GCAEMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)sc2n1 ZINC000193055572 1201191724 /nfs/dbraw/zinc/19/17/24/1201191724.db2.gz AITADTJRZCNSSX-CYBMUJFWSA-N 1 1 377.470 0.530 10 0 GCAEMO Cc1nn(CCS(=O)(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)o1 ZINC000823664740 1201606217 /nfs/dbraw/zinc/60/62/17/1201606217.db2.gz HUDBDALXTMXCGP-MRXNPFEDSA-N 1 1 380.470 0.681 10 0 GCAEMO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CN(C)CC[N@@H+](C)C1)CC2 ZINC000823783700 1201608749 /nfs/dbraw/zinc/60/87/49/1201608749.db2.gz LKBHDVRDNPNRFQ-UHFFFAOYSA-N 1 1 380.514 0.319 10 0 GCAEMO CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)C[NH+]1CCOCC1 ZINC000177355899 1201631380 /nfs/dbraw/zinc/63/13/80/1201631380.db2.gz VAUGGDCSCNQDJJ-LBPRGKRZSA-N 1 1 378.498 0.598 10 0 GCAEMO CC[S@](=O)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000735098714 1201676204 /nfs/dbraw/zinc/67/62/04/1201676204.db2.gz ZJJMKGJJUFQAFB-SANMLTNESA-N 1 1 380.514 0.642 10 0 GCAEMO CC[S@](=O)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000735109166 1201678871 /nfs/dbraw/zinc/67/88/71/1201678871.db2.gz GUFMATCPPIFYQR-SOKVYYICSA-N 1 1 394.541 0.952 10 0 GCAEMO Cn1ncc(I)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000826653191 1201686134 /nfs/dbraw/zinc/68/61/34/1201686134.db2.gz DXTZZPULSRNYFC-UHFFFAOYSA-N 1 1 383.255 0.939 10 0 GCAEMO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)c1 ZINC000828636792 1201718705 /nfs/dbraw/zinc/71/87/05/1201718705.db2.gz SSPJGEFJBUYECC-VQIMIIECSA-N 1 1 395.525 0.591 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000737214227 1201724042 /nfs/dbraw/zinc/72/40/42/1201724042.db2.gz DNXOERYRNKXZIS-RMKBEBRYSA-N 1 1 381.498 0.903 10 0 GCAEMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000741604438 1201781045 /nfs/dbraw/zinc/78/10/45/1201781045.db2.gz DBRQTCGPQPCTFB-SWLSCSKDSA-N 1 1 376.482 0.958 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC[N@@H+]1CCO ZINC000188763303 1201909082 /nfs/dbraw/zinc/90/90/82/1201909082.db2.gz WLWWAYIWPBFCHU-OAHLLOKOSA-N 1 1 377.489 0.471 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC[N@H+]1CCO ZINC000188763303 1201909083 /nfs/dbraw/zinc/90/90/83/1201909083.db2.gz WLWWAYIWPBFCHU-OAHLLOKOSA-N 1 1 377.489 0.471 10 0 GCAEMO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)[NH+]1CCN(C)CC1 ZINC000770725092 1202108061 /nfs/dbraw/zinc/10/80/61/1202108061.db2.gz JZEUIAATWSMGNG-MRXNPFEDSA-N 1 1 376.505 0.624 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000770741745 1202111933 /nfs/dbraw/zinc/11/19/33/1202111933.db2.gz DCQHDPXOVWEMBX-NRFANRHFSA-N 1 1 397.479 0.989 10 0 GCAEMO CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 ZINC000771217707 1202130649 /nfs/dbraw/zinc/13/06/49/1202130649.db2.gz UWRNZAVHODIGQR-FQEVSTJZSA-N 1 1 388.468 0.935 10 0 GCAEMO Cn1ncc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1C1CC1 ZINC000771490334 1202144405 /nfs/dbraw/zinc/14/44/05/1202144405.db2.gz LXJSPBSPMOEXIZ-MRXNPFEDSA-N 1 1 375.473 0.949 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000771599000 1202150296 /nfs/dbraw/zinc/15/02/96/1202150296.db2.gz ZCJHYJMZLJEXRZ-VBKZILBWSA-N 1 1 388.468 0.933 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000771599000 1202150297 /nfs/dbraw/zinc/15/02/97/1202150297.db2.gz ZCJHYJMZLJEXRZ-VBKZILBWSA-N 1 1 388.468 0.933 10 0 GCAEMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000788922913 1205432460 /nfs/dbraw/zinc/43/24/60/1205432460.db2.gz ZFQYSZXUUOKQOR-AWEZNQCLSA-N 1 1 380.493 0.389 10 0 GCAEMO CC(=O)N1CCC(NC(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C)CC1 ZINC000789644096 1205445128 /nfs/dbraw/zinc/44/51/28/1205445128.db2.gz JWNGARGGRJEGTI-UHFFFAOYSA-N 1 1 385.465 0.527 10 0 GCAEMO CCNC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792224065 1205485016 /nfs/dbraw/zinc/48/50/16/1205485016.db2.gz CFAWNKYDJAOTNT-OAHLLOKOSA-N 1 1 397.520 0.849 10 0 GCAEMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2(CCO)CCOCC2)CC1 ZINC000792302001 1205486253 /nfs/dbraw/zinc/48/62/53/1205486253.db2.gz BNRHDAFAMXJVLV-UHFFFAOYSA-N 1 1 385.505 0.977 10 0 GCAEMO NC(=O)C[NH+]1CCC(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000792590923 1205490375 /nfs/dbraw/zinc/49/03/75/1205490375.db2.gz BLZAWEANZBCMCK-UHFFFAOYSA-N 1 1 386.452 0.519 10 0 GCAEMO CC(=O)N[C@H](C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000792687480 1205492214 /nfs/dbraw/zinc/49/22/14/1205492214.db2.gz QRODZKZPSDXZRF-HKUYNNGSSA-N 1 1 397.516 0.698 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793842233 1205507086 /nfs/dbraw/zinc/50/70/86/1205507086.db2.gz PLDVQGCQDHNJMT-WGDIFIGCSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805620067 1205541310 /nfs/dbraw/zinc/54/13/10/1205541310.db2.gz NQSJVVFMDIOLSG-ALQUZDBKSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805620067 1205541312 /nfs/dbraw/zinc/54/13/12/1205541312.db2.gz NQSJVVFMDIOLSG-ALQUZDBKSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805621744 1205541662 /nfs/dbraw/zinc/54/16/62/1205541662.db2.gz OCSAFLRQAGIJPD-MRDQGFSESA-N 1 1 379.526 0.852 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000747380266 1205577041 /nfs/dbraw/zinc/57/70/41/1205577041.db2.gz RIPMCTFNUSMFIN-JKSUJKDBSA-N 1 1 376.482 0.996 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000747380266 1205577043 /nfs/dbraw/zinc/57/70/43/1205577043.db2.gz RIPMCTFNUSMFIN-JKSUJKDBSA-N 1 1 376.482 0.996 10 0 GCAEMO CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCC[NH+]1CCOCC1)[C@H]2C ZINC000774467048 1205873585 /nfs/dbraw/zinc/87/35/85/1205873585.db2.gz GVNRXVJJVLEQRY-AWEZNQCLSA-N 1 1 378.477 0.143 10 0 GCAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1n[nH]c2ccc(I)cc21 ZINC000262270963 530212920 /nfs/dbraw/zinc/21/29/20/530212920.db2.gz MXQPQTWPNOCBSE-HQJQHLMTSA-N 1 1 386.193 0.478 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000163573485 530334900 /nfs/dbraw/zinc/33/49/00/530334900.db2.gz UUYIZRHMKHBDAI-GFCCVEGCSA-N 1 1 385.262 0.698 10 0 GCAEMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@H+]3CCC[C@@H]3C1)c2=O ZINC000170728104 530348423 /nfs/dbraw/zinc/34/84/23/530348423.db2.gz RIVKVZBMTQKEHT-SNVBAGLBSA-N 1 1 395.261 0.199 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000183892368 530374781 /nfs/dbraw/zinc/37/47/81/530374781.db2.gz AYMKKSNPOORIAI-HNNXBMFYSA-N 1 1 384.274 0.763 10 0 GCAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000185150908 530376784 /nfs/dbraw/zinc/37/67/84/530376784.db2.gz WKQHRVSMAVHEFO-OLZOCXBDSA-N 1 1 389.283 0.465 10 0 GCAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000185150908 530376785 /nfs/dbraw/zinc/37/67/85/530376785.db2.gz WKQHRVSMAVHEFO-OLZOCXBDSA-N 1 1 389.283 0.465 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000189473613 530384762 /nfs/dbraw/zinc/38/47/62/530384762.db2.gz GRBYHCGBKYGMIM-LBPRGKRZSA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000187280134 530510101 /nfs/dbraw/zinc/51/01/01/530510101.db2.gz WAKMVVWKAUHLBE-LBPRGKRZSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000187280134 530510102 /nfs/dbraw/zinc/51/01/02/530510102.db2.gz WAKMVVWKAUHLBE-LBPRGKRZSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264938925 530541279 /nfs/dbraw/zinc/54/12/79/530541279.db2.gz FGIWVGICSRLGCW-ZIAGYGMSSA-N 1 1 387.527 0.794 10 0 GCAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000193312252 530563003 /nfs/dbraw/zinc/56/30/03/530563003.db2.gz IGFGGWNFNVKLGT-JTQLQIEISA-N 1 1 377.388 0.689 10 0 GCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330087517 530626122 /nfs/dbraw/zinc/62/61/22/530626122.db2.gz NIDGKNWOCCNISO-MRXNPFEDSA-N 1 1 395.591 0.698 10 0 GCAEMO O[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1ccnn1 ZINC000459721989 530637658 /nfs/dbraw/zinc/63/76/58/530637658.db2.gz UQCFBGUHADUHSH-GFCCVEGCSA-N 1 1 378.234 0.772 10 0 GCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000473520326 530712187 /nfs/dbraw/zinc/71/21/87/530712187.db2.gz CMTMFSPPMCWCCI-MRXNPFEDSA-N 1 1 375.535 0.760 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000179554053 530726238 /nfs/dbraw/zinc/72/62/38/530726238.db2.gz ZBLSAQOFGKXGTQ-JTQLQIEISA-N 1 1 385.262 0.687 10 0 GCAEMO CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000618679321 530808270 /nfs/dbraw/zinc/80/82/70/530808270.db2.gz IJZZEOGISWSXBU-FPCVCCKLSA-N 1 1 375.535 0.613 10 0 GCAEMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000068334144 530978438 /nfs/dbraw/zinc/97/84/38/530978438.db2.gz RLLSTOQLDQNXBB-UHFFFAOYSA-N 1 1 386.283 0.859 10 0 GCAEMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000068334144 530978441 /nfs/dbraw/zinc/97/84/41/530978441.db2.gz RLLSTOQLDQNXBB-UHFFFAOYSA-N 1 1 386.283 0.859 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000262763341 531063331 /nfs/dbraw/zinc/06/33/31/531063331.db2.gz KBRDUKVKXPQQGJ-BXUZGUMPSA-N 1 1 391.515 0.733 10 0 GCAEMO C[N@H+]1CCN(CCNc2ncc(I)cn2)CC1(C)C ZINC000581862961 531055853 /nfs/dbraw/zinc/05/58/53/531055853.db2.gz KMAZFLGMEOPNGA-UHFFFAOYSA-N 1 1 375.258 1.519 10 0 GCAEMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000546571698 531092054 /nfs/dbraw/zinc/09/20/54/531092054.db2.gz OKPIYVHILFOUJA-XJKSGUPXSA-N 1 1 387.527 0.474 10 0 GCAEMO COC(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCC2)ccc1Br ZINC000548741616 531122464 /nfs/dbraw/zinc/12/24/64/531122464.db2.gz ZNPCXONFHPCQPA-UHFFFAOYSA-N 1 1 384.230 0.996 10 0 GCAEMO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245921385 531132535 /nfs/dbraw/zinc/13/25/35/531132535.db2.gz MNTACAPVUGXDTO-VXGBXAGGSA-N 1 1 386.440 0.292 10 0 GCAEMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245921385 531132540 /nfs/dbraw/zinc/13/25/40/531132540.db2.gz MNTACAPVUGXDTO-VXGBXAGGSA-N 1 1 386.440 0.292 10 0 GCAEMO CC[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000552880629 531146782 /nfs/dbraw/zinc/14/67/82/531146782.db2.gz ODIXBGLSFLDWPO-HZPDHXFCSA-N 1 1 375.535 0.664 10 0 GCAEMO CC[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000552880629 531146783 /nfs/dbraw/zinc/14/67/83/531146783.db2.gz ODIXBGLSFLDWPO-HZPDHXFCSA-N 1 1 375.535 0.664 10 0 GCAEMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCN1CCCS1(=O)=O ZINC000683981744 531182516 /nfs/dbraw/zinc/18/25/16/531182516.db2.gz MDQYQJNBIDMCQG-UHFFFAOYSA-N 1 1 376.523 0.164 10 0 GCAEMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCN1CCCS1(=O)=O ZINC000683981744 531182517 /nfs/dbraw/zinc/18/25/17/531182517.db2.gz MDQYQJNBIDMCQG-UHFFFAOYSA-N 1 1 376.523 0.164 10 0 GCAEMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(Br)c1 ZINC000182573677 531195579 /nfs/dbraw/zinc/19/55/79/531195579.db2.gz DMVUEJSTKIIJTK-VIFPVBQESA-N 1 1 395.257 0.962 10 0 GCAEMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(Br)c1 ZINC000182573700 531195738 /nfs/dbraw/zinc/19/57/38/531195738.db2.gz DMVUEJSTKIIJTK-SECBINFHSA-N 1 1 395.257 0.962 10 0 GCAEMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868902 221351321 /nfs/dbraw/zinc/35/13/21/221351321.db2.gz OSPANIYCODKQKE-UHFFFAOYSA-N 1 1 395.934 0.586 10 0 GCAEMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(C(=O)CNC(N)=O)C1)CC2 ZINC000072129037 222208226 /nfs/dbraw/zinc/20/82/26/222208226.db2.gz LPOUPLAJCQEOHS-OAHLLOKOSA-N 1 1 376.457 0.721 10 0 GCAEMO CC[NH+]1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1 ZINC000065226610 535611154 /nfs/dbraw/zinc/61/11/54/535611154.db2.gz UVXWTRAZISAYAD-UHFFFAOYSA-N 1 1 388.516 0.694 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000805619414 641176692 /nfs/dbraw/zinc/17/66/92/641176692.db2.gz CNCYKHIPUGEHDA-VWLOTQADSA-N 1 1 389.587 0.739 10 0 GCAEMO Cn1ncc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1I ZINC000394704745 677371585 /nfs/dbraw/zinc/37/15/85/677371585.db2.gz LEVQYJBIYYGZPA-JTQLQIEISA-N 1 1 389.241 0.144 10 0 GCAEMO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000408255034 1192343014 /nfs/dbraw/zinc/34/30/14/1192343014.db2.gz PXKIXTPAQAOVMD-MQVJKMGUSA-N 1 1 379.505 0.380 10 0 GCAEMO CN(C)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000408284042 1192368252 /nfs/dbraw/zinc/36/82/52/1192368252.db2.gz SGWQSUXCDLJFKZ-QGZVFWFLSA-N 1 1 380.514 0.680 10 0 GCAEMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332823719 1192905239 /nfs/dbraw/zinc/90/52/39/1192905239.db2.gz GADCLCKJJSCDQF-IAGOWNOFSA-N 1 1 378.517 0.838 10 0 GCAEMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332823719 1192905240 /nfs/dbraw/zinc/90/52/40/1192905240.db2.gz GADCLCKJJSCDQF-IAGOWNOFSA-N 1 1 378.517 0.838 10 0 GCAEMO CNS(=O)(=O)c1cccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000512585076 1192912128 /nfs/dbraw/zinc/91/21/28/1192912128.db2.gz BASDQDWAEQGKLI-UHFFFAOYSA-N 1 1 376.486 0.749 10 0 GCAEMO C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1 ZINC000547699054 1184343106 /nfs/dbraw/zinc/34/31/06/1184343106.db2.gz WRZUKRMXUPYGAG-MRXNPFEDSA-N 1 1 383.489 0.265 10 0 GCAEMO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000579866396 1184407876 /nfs/dbraw/zinc/40/78/76/1184407876.db2.gz PZNRKUXZWZBZBO-KRWDZBQOSA-N 1 1 390.528 0.925 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)C1 ZINC000180459164 1184502622 /nfs/dbraw/zinc/50/26/22/1184502622.db2.gz IYVNZJJMXRYLBA-AWEZNQCLSA-N 1 1 392.422 0.910 10 0 GCAEMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2C[C@H]1C ZINC000655648897 1184766753 /nfs/dbraw/zinc/76/67/53/1184766753.db2.gz NWCADYXVBZXJNU-UHOFOFEASA-N 1 1 379.482 0.424 10 0 GCAEMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2C[C@H]1C ZINC000655648897 1184766757 /nfs/dbraw/zinc/76/67/57/1184766757.db2.gz NWCADYXVBZXJNU-UHOFOFEASA-N 1 1 379.482 0.424 10 0 GCAEMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000608866914 1184782202 /nfs/dbraw/zinc/78/22/02/1184782202.db2.gz BGLBNMNMUKUJBB-CQSZACIVSA-N 1 1 383.470 0.339 10 0 GCAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000581443957 1185690693 /nfs/dbraw/zinc/69/06/93/1185690693.db2.gz WVOOCBXHCYXBHM-VQIMIIECSA-N 1 1 387.480 0.893 10 0 GCAEMO Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[C@H](NC(N)=O)C3)CC2)oc1C ZINC000535672637 1186198119 /nfs/dbraw/zinc/19/81/19/1186198119.db2.gz VTOKHPSMUKRKIM-HNNXBMFYSA-N 1 1 378.477 0.956 10 0 GCAEMO CCN1CC[NH+](Cc2ccc(CNC(=O)CN3CCCS3(=O)=O)cc2)CC1 ZINC000097492959 1186277213 /nfs/dbraw/zinc/27/72/13/1186277213.db2.gz WDHPOFKFTVIMSU-UHFFFAOYSA-N 1 1 394.541 0.476 10 0 GCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000684640687 1186288774 /nfs/dbraw/zinc/28/87/74/1186288774.db2.gz YPRJXHXHFOGNAK-OAHLLOKOSA-N 1 1 392.504 0.005 10 0 GCAEMO CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000582193957 1186460644 /nfs/dbraw/zinc/46/06/44/1186460644.db2.gz KIUQXVFRZCQBNX-MRXNPFEDSA-N 1 1 392.504 0.462 10 0 GCAEMO CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000582193957 1186460647 /nfs/dbraw/zinc/46/06/47/1186460647.db2.gz KIUQXVFRZCQBNX-MRXNPFEDSA-N 1 1 392.504 0.462 10 0 GCAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673975 1186594292 /nfs/dbraw/zinc/59/42/92/1186594292.db2.gz PPFXWNINSYKBMH-OAHLLOKOSA-N 1 1 383.470 0.572 10 0 GCAEMO CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000116955032 1186615203 /nfs/dbraw/zinc/61/52/03/1186615203.db2.gz NIFJBAIUEVVAFG-ROUUACIJSA-N 1 1 394.541 0.884 10 0 GCAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC2)cn1 ZINC000277838635 1186630628 /nfs/dbraw/zinc/63/06/28/1186630628.db2.gz ZZDWFUYXWJEUBW-ZWKOTPCHSA-N 1 1 377.489 0.573 10 0 GCAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC2)cn1 ZINC000277838635 1186630629 /nfs/dbraw/zinc/63/06/29/1186630629.db2.gz ZZDWFUYXWJEUBW-ZWKOTPCHSA-N 1 1 377.489 0.573 10 0 GCAEMO CCn1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1=O ZINC000124784110 1186801971 /nfs/dbraw/zinc/80/19/71/1186801971.db2.gz UPXKABUMAGLIPM-QGZVFWFLSA-N 1 1 389.500 0.435 10 0 GCAEMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCNC(=O)CC1 ZINC000124789833 1186802500 /nfs/dbraw/zinc/80/25/00/1186802500.db2.gz DUGWCIQFQCMJKB-UHFFFAOYSA-N 1 1 379.892 0.994 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(CCOC)nn2C)CC1=O ZINC000156503490 1186861421 /nfs/dbraw/zinc/86/14/21/1186861421.db2.gz JBUGUOZVKTWMGW-ZBFHGGJFSA-N 1 1 377.489 0.880 10 0 GCAEMO C[C@H]1CN(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000329276332 1186895311 /nfs/dbraw/zinc/89/53/11/1186895311.db2.gz LCJLOYFRVKWSKI-HOTGVXAUSA-N 1 1 383.514 0.962 10 0 GCAEMO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000329512233 1186954810 /nfs/dbraw/zinc/95/48/10/1186954810.db2.gz KXUWSJKVVFDLFQ-WMZOPIPTSA-N 1 1 379.526 0.868 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000458714738 1186956594 /nfs/dbraw/zinc/95/65/94/1186956594.db2.gz QNQXUVODFXSKSV-DLBZAZTESA-N 1 1 390.513 0.556 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000458714738 1186956595 /nfs/dbraw/zinc/95/65/95/1186956595.db2.gz QNQXUVODFXSKSV-DLBZAZTESA-N 1 1 390.513 0.556 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC12COC2 ZINC000458740552 1186970380 /nfs/dbraw/zinc/97/03/80/1186970380.db2.gz YIRVNGKFQCXADR-JKSUJKDBSA-N 1 1 383.489 0.708 10 0 GCAEMO C[C@H](NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000584134305 1187004858 /nfs/dbraw/zinc/00/48/58/1187004858.db2.gz FSKDCILDFCXZIR-TWOQFEAHSA-N 1 1 379.501 0.774 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000785223011 1187338743 /nfs/dbraw/zinc/33/87/43/1187338743.db2.gz RSPDWENHGDIKKM-CQSZACIVSA-N 1 1 375.454 0.841 10 0 GCAEMO CC1(C)CN(C[C@H](O)C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000376018861 1187546698 /nfs/dbraw/zinc/54/66/98/1187546698.db2.gz LLOTXLNYPGUEHK-ZHPFXUNLSA-N 1 1 398.544 0.887 10 0 GCAEMO CC1(C)C[N@H+](C[C@H](O)CN2C[C@]3(CCOC3)OC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000376018861 1187546702 /nfs/dbraw/zinc/54/67/02/1187546702.db2.gz LLOTXLNYPGUEHK-ZHPFXUNLSA-N 1 1 398.544 0.887 10 0 GCAEMO CC1(C)C[N@@H+](C[C@H](O)CN2C[C@]3(CCOC3)OC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000376018861 1187546707 /nfs/dbraw/zinc/54/67/07/1187546707.db2.gz LLOTXLNYPGUEHK-ZHPFXUNLSA-N 1 1 398.544 0.887 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1S(N)(=O)=O ZINC000511379871 1187590699 /nfs/dbraw/zinc/59/06/99/1187590699.db2.gz MQKBSDFEPYAQJH-LLVKDONJSA-N 1 1 385.461 0.791 10 0 GCAEMO CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000472528503 1187703560 /nfs/dbraw/zinc/70/35/60/1187703560.db2.gz LPQOEXLGKQYVBR-DLBZAZTESA-N 1 1 388.468 0.696 10 0 GCAEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000407998697 1187971238 /nfs/dbraw/zinc/97/12/38/1187971238.db2.gz RYQJKMAMGFEPKS-HUUCEWRRSA-N 1 1 381.498 0.872 10 0 GCAEMO CC(C)(C)OC(=O)c1cnc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000549339969 1188143247 /nfs/dbraw/zinc/14/32/47/1188143247.db2.gz PWPFWFIAKRLBPC-ZDUSSCGKSA-N 1 1 391.472 0.749 10 0 GCAEMO CCOCCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549351009 1188154292 /nfs/dbraw/zinc/15/42/92/1188154292.db2.gz IUQLASZBFWRSOY-INIZCTEOSA-N 1 1 375.477 0.626 10 0 GCAEMO CCOCCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549351009 1188154295 /nfs/dbraw/zinc/15/42/95/1188154295.db2.gz IUQLASZBFWRSOY-INIZCTEOSA-N 1 1 375.477 0.626 10 0 GCAEMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549417602 1189475995 /nfs/dbraw/zinc/47/59/95/1189475995.db2.gz WVBGGOCHIUJMEB-KGLIPLIRSA-N 1 1 386.522 0.065 10 0 GCAEMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549417602 1189476003 /nfs/dbraw/zinc/47/60/03/1189476003.db2.gz WVBGGOCHIUJMEB-KGLIPLIRSA-N 1 1 386.522 0.065 10 0 GCAEMO CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000660092398 1189583015 /nfs/dbraw/zinc/58/30/15/1189583015.db2.gz SUHYZUILJINKIE-QGZVFWFLSA-N 1 1 381.498 0.889 10 0 GCAEMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000549467105 1189634924 /nfs/dbraw/zinc/63/49/24/1189634924.db2.gz PTIILBYWIPXCQE-GVDBMIGSSA-N 1 1 396.532 0.441 10 0 GCAEMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000549467104 1189635108 /nfs/dbraw/zinc/63/51/08/1189635108.db2.gz PTIILBYWIPXCQE-BRWVUGGUSA-N 1 1 396.532 0.441 10 0 GCAEMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]1O ZINC000408094029 1189762203 /nfs/dbraw/zinc/76/22/03/1189762203.db2.gz XVAYXWGTELCUQC-GOEBONIOSA-N 1 1 399.488 0.361 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)N1CC[NH+](CCc3ccccc3)CC1)c2=O ZINC000022279730 1193722345 /nfs/dbraw/zinc/72/23/45/1193722345.db2.gz ABSKAUWMWMQFAN-UHFFFAOYSA-N 1 1 380.452 0.517 10 0 GCAEMO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CCCC1 ZINC000333504034 1193961189 /nfs/dbraw/zinc/96/11/89/1193961189.db2.gz OIDGZZWFALPDDD-CQSZACIVSA-N 1 1 391.516 0.605 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000545874654 1194155050 /nfs/dbraw/zinc/15/50/50/1194155050.db2.gz MGEZAXFSVDGHIZ-UHFFFAOYSA-N 1 1 380.470 0.301 10 0 GCAEMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)C1 ZINC000545878113 1194214641 /nfs/dbraw/zinc/21/46/41/1194214641.db2.gz FHEOXCZCUVNINY-LJQANCHMSA-N 1 1 377.441 0.763 10 0 GCAEMO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000505390646 1194836652 /nfs/dbraw/zinc/83/66/52/1194836652.db2.gz WIVOUWJAVZPKFN-UHFFFAOYSA-N 1 1 377.489 0.833 10 0 GCAEMO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000435032881 1194884708 /nfs/dbraw/zinc/88/47/08/1194884708.db2.gz INZQMEIHDXCGPV-LJQANCHMSA-N 1 1 390.440 0.384 10 0 GCAEMO CCNC(=O)COc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000435032881 1194884710 /nfs/dbraw/zinc/88/47/10/1194884710.db2.gz INZQMEIHDXCGPV-LJQANCHMSA-N 1 1 390.440 0.384 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246707813 1194945787 /nfs/dbraw/zinc/94/57/87/1194945787.db2.gz KNIHXPFNYJCCFH-NOLJZWGESA-N 1 1 399.561 0.892 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000437801929 1195156280 /nfs/dbraw/zinc/15/62/80/1195156280.db2.gz QUZNKXUHIGYJJQ-HNNXBMFYSA-N 1 1 384.502 0.953 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000437801930 1195156287 /nfs/dbraw/zinc/15/62/87/1195156287.db2.gz QUZNKXUHIGYJJQ-OAHLLOKOSA-N 1 1 384.502 0.953 10 0 GCAEMO C[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+]1CCO ZINC000187673811 1195421182 /nfs/dbraw/zinc/42/11/82/1195421182.db2.gz VBCJDMRNTFWYLP-KRWDZBQOSA-N 1 1 388.512 0.537 10 0 GCAEMO C[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC[N@H+]1CCO ZINC000187673811 1195421183 /nfs/dbraw/zinc/42/11/83/1195421183.db2.gz VBCJDMRNTFWYLP-KRWDZBQOSA-N 1 1 388.512 0.537 10 0 GCAEMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000550270324 1195473813 /nfs/dbraw/zinc/47/38/13/1195473813.db2.gz ULRXGPZCQPQFIP-SFHVURJKSA-N 1 1 391.468 0.131 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000550310900 1195566378 /nfs/dbraw/zinc/56/63/78/1195566378.db2.gz BUHMKEHEYHMDSF-UHFFFAOYSA-N 1 1 388.468 0.769 10 0 GCAEMO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)CC2)[nH]1 ZINC000440760196 1195582071 /nfs/dbraw/zinc/58/20/71/1195582071.db2.gz YOLKCZRYTNWCKS-UHFFFAOYSA-N 1 1 383.456 0.341 10 0 GCAEMO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)CC2)[nH]1 ZINC000440760196 1195582075 /nfs/dbraw/zinc/58/20/75/1195582075.db2.gz YOLKCZRYTNWCKS-UHFFFAOYSA-N 1 1 383.456 0.341 10 0 GCAEMO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000441131351 1195605564 /nfs/dbraw/zinc/60/55/64/1195605564.db2.gz XWCHVYKYGZTCHW-UHFFFAOYSA-N 1 1 391.424 0.745 10 0 GCAEMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509822 1195638747 /nfs/dbraw/zinc/63/87/47/1195638747.db2.gz JDSCFJZLCOADQV-VHSXEESVSA-N 1 1 378.404 0.736 10 0 GCAEMO Cc1ccc(C(=O)NCCNC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1F ZINC000550373396 1195646161 /nfs/dbraw/zinc/64/61/61/1195646161.db2.gz UFRHLXBNUJVYPH-UHFFFAOYSA-N 1 1 390.459 0.748 10 0 GCAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000328779186 1195667096 /nfs/dbraw/zinc/66/70/96/1195667096.db2.gz MAWQTGWRHWHHSR-KRWDZBQOSA-N 1 1 393.532 0.537 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000328911707 1195679665 /nfs/dbraw/zinc/67/96/65/1195679665.db2.gz OIZFJMHDHYOIFI-MRXNPFEDSA-N 1 1 381.498 0.985 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CS(=O)(=O)N(C)C)cc2)CC1 ZINC000330800681 1195707963 /nfs/dbraw/zinc/70/79/63/1195707963.db2.gz DSKPTVDQBARBJA-UHFFFAOYSA-N 1 1 382.486 0.181 10 0 GCAEMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000536488030 1195838095 /nfs/dbraw/zinc/83/80/95/1195838095.db2.gz KVLAHZTZKXDDSR-YJBOKZPZSA-N 1 1 389.500 0.266 10 0 GCAEMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000536488030 1195838097 /nfs/dbraw/zinc/83/80/97/1195838097.db2.gz KVLAHZTZKXDDSR-YJBOKZPZSA-N 1 1 389.500 0.266 10 0 GCAEMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000536488024 1195838191 /nfs/dbraw/zinc/83/81/91/1195838191.db2.gz KVLAHZTZKXDDSR-MAUKXSAKSA-N 1 1 389.500 0.266 10 0 GCAEMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000536488024 1195838193 /nfs/dbraw/zinc/83/81/93/1195838193.db2.gz KVLAHZTZKXDDSR-MAUKXSAKSA-N 1 1 389.500 0.266 10 0 GCAEMO CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000185436149 1195846321 /nfs/dbraw/zinc/84/63/21/1195846321.db2.gz TXBMQGBCQRAJQZ-UHFFFAOYSA-N 1 1 382.530 0.741 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000442306447 1195975387 /nfs/dbraw/zinc/97/53/87/1195975387.db2.gz LBLLLGVFFCCPKO-WCQYABFASA-N 1 1 380.470 0.275 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000550457412 1195979408 /nfs/dbraw/zinc/97/94/08/1195979408.db2.gz JQGSPFXSZVNMQB-INIZCTEOSA-N 1 1 377.489 0.589 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000550457451 1195979841 /nfs/dbraw/zinc/97/98/41/1195979841.db2.gz KKSGZKUSVZOQCY-OXJNMPFZSA-N 1 1 397.516 0.256 10 0 GCAEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000442584389 1195995286 /nfs/dbraw/zinc/99/52/86/1195995286.db2.gz VGAJYVUFQLIBBU-ZDUSSCGKSA-N 1 1 382.486 0.333 10 0 GCAEMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC3CCC4(CC4)CC3)CC2)CC1 ZINC000522007665 1196035046 /nfs/dbraw/zinc/03/50/46/1196035046.db2.gz HOZPQLFWRNMYKC-UHFFFAOYSA-N 1 1 390.528 0.838 10 0 GCAEMO COC(=O)C(C)(C)N1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000614700983 1196075901 /nfs/dbraw/zinc/07/59/01/1196075901.db2.gz RGPYUSSBBMGAPC-UHFFFAOYSA-N 1 1 383.537 0.291 10 0 GCAEMO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000329502419 1196201623 /nfs/dbraw/zinc/20/16/23/1196201623.db2.gz HVGKSKLVPJGSJQ-KRWDZBQOSA-N 1 1 379.526 0.941 10 0 GCAEMO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccnc2C(=O)c2cccnc2)C1 ZINC000191984824 1196210943 /nfs/dbraw/zinc/21/09/43/1196210943.db2.gz ULYNLJVYGYFMPN-KRWDZBQOSA-N 1 1 385.468 0.982 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccnc2C(=O)c2cccnc2)C1 ZINC000191984824 1196210946 /nfs/dbraw/zinc/21/09/46/1196210946.db2.gz ULYNLJVYGYFMPN-KRWDZBQOSA-N 1 1 385.468 0.982 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645581 1196214866 /nfs/dbraw/zinc/21/48/66/1196214866.db2.gz DJNBBOOEDUQEFJ-FGTMMUONSA-N 1 1 380.533 0.641 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645591 1196214904 /nfs/dbraw/zinc/21/49/04/1196214904.db2.gz DJNBBOOEDUQEFJ-SQNIBIBYSA-N 1 1 380.533 0.641 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1C ZINC000329660767 1196217798 /nfs/dbraw/zinc/21/77/98/1196217798.db2.gz OHAPIYNPBVSWAV-KRWDZBQOSA-N 1 1 377.537 0.184 10 0 GCAEMO Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)nc(C)n1 ZINC000329661814 1196218399 /nfs/dbraw/zinc/21/83/99/1196218399.db2.gz IUVFBYZNSIPRPF-UHFFFAOYSA-N 1 1 388.516 0.404 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](C)C1 ZINC000329703092 1196224579 /nfs/dbraw/zinc/22/45/79/1196224579.db2.gz IDHDYBPJQNGPLB-JJXSEGSLSA-N 1 1 385.530 0.211 10 0 GCAEMO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523697981 1196551258 /nfs/dbraw/zinc/55/12/58/1196551258.db2.gz BTCVDTRXHNQRLL-UHFFFAOYSA-N 1 1 386.456 0.445 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000524168592 1196580488 /nfs/dbraw/zinc/58/04/88/1196580488.db2.gz LFNKGOBOKKFXML-BRWVUGGUSA-N 1 1 378.517 0.836 10 0 GCAEMO Cn1cc([C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(F)(F)F)cn1 ZINC000446467446 1196643586 /nfs/dbraw/zinc/64/35/86/1196643586.db2.gz UXCKWZJSTJQWHA-AAEUAGOBSA-N 1 1 390.410 0.910 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)cc[nH+]1 ZINC000525289705 1196665066 /nfs/dbraw/zinc/66/50/66/1196665066.db2.gz WKIHGUXZGCHNBP-UHFFFAOYSA-N 1 1 379.428 0.481 10 0 GCAEMO O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000527331658 1196779736 /nfs/dbraw/zinc/77/97/36/1196779736.db2.gz OCYLZSAFPBVYPA-UHFFFAOYSA-N 1 1 376.457 0.300 10 0 GCAEMO O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000527331658 1196779739 /nfs/dbraw/zinc/77/97/39/1196779739.db2.gz OCYLZSAFPBVYPA-UHFFFAOYSA-N 1 1 376.457 0.300 10 0 GCAEMO CC(C)Cn1ccnc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000119120024 1196879811 /nfs/dbraw/zinc/87/98/11/1196879811.db2.gz ZLYYZNMKGKMTCM-MRXNPFEDSA-N 1 1 376.505 0.987 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451127466 1196973421 /nfs/dbraw/zinc/97/34/21/1196973421.db2.gz URLWAVCFEWEPGW-HNNXBMFYSA-N 1 1 384.454 0.224 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137076 1196975458 /nfs/dbraw/zinc/97/54/58/1196975458.db2.gz OJWLJXFANRSEMB-VHSXEESVSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137076 1196975460 /nfs/dbraw/zinc/97/54/60/1196975460.db2.gz OJWLJXFANRSEMB-VHSXEESVSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2cccc(COC)c2)CC12COC2 ZINC000451144101 1196975490 /nfs/dbraw/zinc/97/54/90/1196975490.db2.gz XQGFIWPJLMZAAC-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2cccc(COC)c2)CC12COC2 ZINC000451144101 1196975493 /nfs/dbraw/zinc/97/54/93/1196975493.db2.gz XQGFIWPJLMZAAC-KRWDZBQOSA-N 1 1 376.453 0.961 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](O)Cc3cnn(C)c3)cc2)CC1 ZINC000530337292 1196979324 /nfs/dbraw/zinc/97/93/24/1196979324.db2.gz ZVRJRXCPNBKLEW-LJQANCHMSA-N 1 1 385.468 0.626 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000475672302 1197015194 /nfs/dbraw/zinc/01/51/94/1197015194.db2.gz DIEZYTGUAPKNDT-AWEZNQCLSA-N 1 1 396.513 0.627 10 0 GCAEMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1 ZINC000530826293 1197020872 /nfs/dbraw/zinc/02/08/72/1197020872.db2.gz MOQKDPQOOIWUCY-HUUCEWRRSA-N 1 1 382.534 0.887 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000531550495 1197082682 /nfs/dbraw/zinc/08/26/82/1197082682.db2.gz VKMVFQJTRSGTLW-UHFFFAOYSA-N 1 1 376.440 0.313 10 0 GCAEMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531872529 1197101700 /nfs/dbraw/zinc/10/17/00/1197101700.db2.gz VDKAFYVQAXYWRU-IBGZPJMESA-N 1 1 386.496 0.582 10 0 GCAEMO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)N1CCN(c2cnccn2)CC1 ZINC000171972255 1197159108 /nfs/dbraw/zinc/15/91/08/1197159108.db2.gz HYCZBLBWOSQIGV-SFHVURJKSA-N 1 1 388.516 0.312 10 0 GCAEMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172038573 1197159269 /nfs/dbraw/zinc/15/92/69/1197159269.db2.gz RXJCWXMYDPVNKP-MVVMVCHASA-N 1 1 399.499 0.105 10 0 GCAEMO COCC(=O)N[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000172754471 1197173784 /nfs/dbraw/zinc/17/37/84/1197173784.db2.gz AZWKBYNXZLKANO-SFHVURJKSA-N 1 1 382.549 0.840 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000173733637 1197177361 /nfs/dbraw/zinc/17/73/61/1197177361.db2.gz IXAVNHCQUGGNBQ-UHFFFAOYSA-N 1 1 389.485 0.621 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000173683238 1197178667 /nfs/dbraw/zinc/17/86/67/1197178667.db2.gz ZZPAZJFKZVMDBX-PKOBYXMFSA-N 1 1 391.564 0.960 10 0 GCAEMO Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)C2=O)cn1 ZINC000174058546 1197179650 /nfs/dbraw/zinc/17/96/50/1197179650.db2.gz GTJZDBGFCJMKNI-OALUTQOASA-N 1 1 382.464 0.757 10 0 GCAEMO Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)C[N@H+]3CCc4ccccc4C3)C2=O)cn1 ZINC000174058510 1197179703 /nfs/dbraw/zinc/17/97/03/1197179703.db2.gz GTJZDBGFCJMKNI-RTBURBONSA-N 1 1 382.464 0.757 10 0 GCAEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000174382805 1197180725 /nfs/dbraw/zinc/18/07/25/1197180725.db2.gz QDADSFRPNCVLQL-INIZCTEOSA-N 1 1 391.516 0.728 10 0 GCAEMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000176382318 1197186886 /nfs/dbraw/zinc/18/68/86/1197186886.db2.gz JUFQGTAKEHJDDD-IBGZPJMESA-N 1 1 379.476 0.596 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180208570 1197200936 /nfs/dbraw/zinc/20/09/36/1197200936.db2.gz BKBLHLJEPXQWGQ-IAOVAPTHSA-N 1 1 391.497 0.649 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)C1 ZINC000181981961 1197206265 /nfs/dbraw/zinc/20/62/65/1197206265.db2.gz ZUBUTOIWJBYPPF-ROUUACIJSA-N 1 1 382.549 0.873 10 0 GCAEMO COc1cccc([C@@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)CC[N@H+]2C2CC2)c1 ZINC000183242514 1197209118 /nfs/dbraw/zinc/20/91/18/1197209118.db2.gz DBXLEAGQZDSJBK-QFBILLFUSA-N 1 1 384.436 0.639 10 0 GCAEMO COc1cccc([C@H]2[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)CC[N@H+]2C2CC2)c1 ZINC000183242496 1197209482 /nfs/dbraw/zinc/20/94/82/1197209482.db2.gz DBXLEAGQZDSJBK-APWZRJJASA-N 1 1 384.436 0.639 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000189923586 1197239169 /nfs/dbraw/zinc/23/91/69/1197239169.db2.gz RQLYAONEXSFABV-QZTJIDSGSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000189923586 1197239171 /nfs/dbraw/zinc/23/91/71/1197239171.db2.gz RQLYAONEXSFABV-QZTJIDSGSA-N 1 1 384.565 0.236 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(Cc3nnnn3CC(F)(F)F)CC2)CC1 ZINC000190987539 1197241923 /nfs/dbraw/zinc/24/19/23/1197241923.db2.gz HPABMTTZCUDIDH-UHFFFAOYSA-N 1 1 389.426 0.612 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000364933174 1197244815 /nfs/dbraw/zinc/24/48/15/1197244815.db2.gz XOKNGJGNVUULPB-GLJUWKHASA-N 1 1 380.489 0.543 10 0 GCAEMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000453959774 1197264115 /nfs/dbraw/zinc/26/41/15/1197264115.db2.gz FSAYLCBQHXESOV-CQSZACIVSA-N 1 1 382.486 0.476 10 0 GCAEMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000453959774 1197264117 /nfs/dbraw/zinc/26/41/17/1197264117.db2.gz FSAYLCBQHXESOV-CQSZACIVSA-N 1 1 382.486 0.476 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000170969346 1197308369 /nfs/dbraw/zinc/30/83/69/1197308369.db2.gz WXNQXMJHFJKRJG-SFHVURJKSA-N 1 1 394.541 0.717 10 0 GCAEMO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(=O)[nH]c1=O ZINC000114493679 1197336454 /nfs/dbraw/zinc/33/64/54/1197336454.db2.gz MOEHIZJVYYMPHW-IBGZPJMESA-N 1 1 376.457 0.770 10 0 GCAEMO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(=O)[nH]c1=O ZINC000114493679 1197336458 /nfs/dbraw/zinc/33/64/58/1197336458.db2.gz MOEHIZJVYYMPHW-IBGZPJMESA-N 1 1 376.457 0.770 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC([N@H+](C)CCCO)CC2)C1 ZINC000115547125 1197337081 /nfs/dbraw/zinc/33/70/81/1197337081.db2.gz XYBMZCVRSLHYAA-IBGZPJMESA-N 1 1 384.565 0.238 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000115547125 1197337085 /nfs/dbraw/zinc/33/70/85/1197337085.db2.gz XYBMZCVRSLHYAA-IBGZPJMESA-N 1 1 384.565 0.238 10 0 GCAEMO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000120599361 1197342235 /nfs/dbraw/zinc/34/22/35/1197342235.db2.gz ARWVZBDQVMSNPJ-RISCZKNCSA-N 1 1 389.435 0.989 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000332829729 1197344791 /nfs/dbraw/zinc/34/47/91/1197344791.db2.gz PTCWJHPJOGYBOR-IRXDYDNUSA-N 1 1 382.505 0.378 10 0 GCAEMO C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128020109 1197362602 /nfs/dbraw/zinc/36/26/02/1197362602.db2.gz UYOCHRYGMNWTIJ-VPSFDDGASA-N 1 1 386.562 0.762 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC12COC2 ZINC000454230199 1197366143 /nfs/dbraw/zinc/36/61/43/1197366143.db2.gz QZGGIHLGGMFGNA-JKSUJKDBSA-N 1 1 383.489 0.564 10 0 GCAEMO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)cn1C ZINC000050627471 1197381207 /nfs/dbraw/zinc/38/12/07/1197381207.db2.gz SYWRTVHYGPMLQZ-UHFFFAOYSA-N 1 1 395.529 0.436 10 0 GCAEMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000058975676 1197395349 /nfs/dbraw/zinc/39/53/49/1197395349.db2.gz JKOLVCFVVMWYQQ-AWEZNQCLSA-N 1 1 386.452 0.565 10 0 GCAEMO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532729745 1197406445 /nfs/dbraw/zinc/40/64/45/1197406445.db2.gz KJHUDYMRPUYWNH-AWEZNQCLSA-N 1 1 377.493 0.535 10 0 GCAEMO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532729760 1197406476 /nfs/dbraw/zinc/40/64/76/1197406476.db2.gz AXDIREZXCPVPJP-CYBMUJFWSA-N 1 1 377.493 0.677 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC12COC2 ZINC000454328965 1197407354 /nfs/dbraw/zinc/40/73/54/1197407354.db2.gz PWAPZSIIQNSLHL-KRWDZBQOSA-N 1 1 396.532 0.625 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCN1c1nccn2cnnc12 ZINC000532741828 1197408278 /nfs/dbraw/zinc/40/82/78/1197408278.db2.gz SGTOYNVFTLLGJX-PMPSAXMXSA-N 1 1 376.461 0.191 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245708214 1197422299 /nfs/dbraw/zinc/42/22/99/1197422299.db2.gz YLVRXCRQPBGWKC-BRWVUGGUSA-N 1 1 379.505 0.986 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC12COC2 ZINC000454630638 1197423429 /nfs/dbraw/zinc/42/34/29/1197423429.db2.gz XWLCRSVHNQJMNA-SJORKVTESA-N 1 1 396.532 0.481 10 0 GCAEMO CC1CCC(NC(=O)CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)CC1 ZINC000533049892 1197428855 /nfs/dbraw/zinc/42/88/55/1197428855.db2.gz COTYQTDXLAQBKH-GUMHCPJTSA-N 1 1 397.560 0.855 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC12COC2 ZINC000454930973 1197438461 /nfs/dbraw/zinc/43/84/61/1197438461.db2.gz SWXKNXNUZKVAGM-OAHLLOKOSA-N 1 1 382.505 0.234 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000066858165 1197467485 /nfs/dbraw/zinc/46/74/85/1197467485.db2.gz ZCAFMJPBEZRFQP-UHFFFAOYSA-N 1 1 397.483 0.679 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)c3ccco3)CC2)CC1 ZINC000066858801 1197467607 /nfs/dbraw/zinc/46/76/07/1197467607.db2.gz SEEYLYKJVXSCIV-UHFFFAOYSA-N 1 1 390.484 0.802 10 0 GCAEMO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247709343 1197477470 /nfs/dbraw/zinc/47/74/70/1197477470.db2.gz ZSXLGUJCNKPZNP-DLBZAZTESA-N 1 1 390.484 0.359 10 0 GCAEMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247709344 1197477568 /nfs/dbraw/zinc/47/75/68/1197477568.db2.gz ZSXLGUJCNKPZNP-IAGOWNOFSA-N 1 1 390.484 0.359 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248053494 1197478175 /nfs/dbraw/zinc/47/81/75/1197478175.db2.gz OAWZJSZPSYHHPX-WBVHZDCISA-N 1 1 377.470 0.260 10 0 GCAEMO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000249111603 1197481639 /nfs/dbraw/zinc/48/16/39/1197481639.db2.gz ARWVZBDQVMSNPJ-FZMZJTMJSA-N 1 1 389.435 0.989 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000076997699 1197485242 /nfs/dbraw/zinc/48/52/42/1197485242.db2.gz GEHIROYLNKDMPH-HNNXBMFYSA-N 1 1 378.517 0.836 10 0 GCAEMO CCN1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000252744139 1197496202 /nfs/dbraw/zinc/49/62/02/1197496202.db2.gz VVUKZXYWDTUYKD-RDJZCZTQSA-N 1 1 392.887 0.892 10 0 GCAEMO CCN1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000252744139 1197496205 /nfs/dbraw/zinc/49/62/05/1197496205.db2.gz VVUKZXYWDTUYKD-RDJZCZTQSA-N 1 1 392.887 0.892 10 0 GCAEMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261704890 1197511910 /nfs/dbraw/zinc/51/19/10/1197511910.db2.gz OWGOAAUZALDTKX-ZDUSSCGKSA-N 1 1 399.469 0.268 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000624764754 1199070653 /nfs/dbraw/zinc/07/06/53/1199070653.db2.gz KDZBFSUQPGDZSV-INIZCTEOSA-N 1 1 396.532 0.509 10 0 GCAEMO CN1C(=O)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@@H]1c1cccnc1 ZINC000268996346 1199101511 /nfs/dbraw/zinc/10/15/11/1199101511.db2.gz SSFYXCDMZYTXOX-SCTDSRPQSA-N 1 1 399.495 0.366 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000672311629 1199204940 /nfs/dbraw/zinc/20/49/40/1199204940.db2.gz MHCNCZAFCAIQFY-QZTJIDSGSA-N 1 1 384.480 0.677 10 0 GCAEMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)nn1 ZINC000672402642 1199229048 /nfs/dbraw/zinc/22/90/48/1199229048.db2.gz ZDLCFWURAPBMRK-IAGOWNOFSA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)nn1 ZINC000672402642 1199229052 /nfs/dbraw/zinc/22/90/52/1199229052.db2.gz ZDLCFWURAPBMRK-IAGOWNOFSA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)C2)nn1 ZINC000672403290 1199229315 /nfs/dbraw/zinc/22/93/15/1199229315.db2.gz DMSINMXCQJQCHY-ULQDDVLXSA-N 1 1 386.500 0.565 10 0 GCAEMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)C2)nn1 ZINC000672402869 1199229404 /nfs/dbraw/zinc/22/94/04/1199229404.db2.gz VSKBSELXEKADTJ-QGZVFWFLSA-N 1 1 386.500 0.638 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CC[C@@H](CC(N)=O)C2)c2cccs2)CC1 ZINC000672682051 1199314316 /nfs/dbraw/zinc/31/43/16/1199314316.db2.gz BNJKGXVKHXFRGX-LSDHHAIUSA-N 1 1 379.530 0.944 10 0 GCAEMO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H](C)O2 ZINC000673123680 1199430753 /nfs/dbraw/zinc/43/07/53/1199430753.db2.gz JIZJQTRYZDALQQ-BCFJFSQUSA-N 1 1 379.501 0.913 10 0 GCAEMO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H](C)O2 ZINC000673123681 1199431325 /nfs/dbraw/zinc/43/13/25/1199431325.db2.gz JIZJQTRYZDALQQ-GJVFUSQISA-N 1 1 379.501 0.913 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000466114005 1199452715 /nfs/dbraw/zinc/45/27/15/1199452715.db2.gz VNNXCSIHDMJZQK-HNNXBMFYSA-N 1 1 397.545 0.990 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+](C)C1CC1 ZINC000118130481 1199745186 /nfs/dbraw/zinc/74/51/86/1199745186.db2.gz KKHBXGMXCCGTDV-AWEZNQCLSA-N 1 1 383.452 0.829 10 0 GCAEMO O=C(CN1CC[NH+](C2CC2)CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000125902431 1199899532 /nfs/dbraw/zinc/89/95/32/1199899532.db2.gz WLQZLVJYAKOGIR-UHFFFAOYSA-N 1 1 386.496 0.555 10 0 GCAEMO CN1CCN(c2cc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)ccn2)CC1 ZINC000673865272 1199963286 /nfs/dbraw/zinc/96/32/86/1199963286.db2.gz KZYQGYXRWQGFMF-UHFFFAOYSA-N 1 1 386.504 0.913 10 0 GCAEMO c1cc(CN2CCN3CCOC[C@@H]3C2)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000543552257 1200113126 /nfs/dbraw/zinc/11/31/26/1200113126.db2.gz QJJFCVGOOWUUPU-VXKWHMMOSA-N 1 1 386.540 0.719 10 0 GCAEMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558716 1200128468 /nfs/dbraw/zinc/12/84/68/1200128468.db2.gz GOTFEKFFTNQYLT-RDJZCZTQSA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558716 1200128471 /nfs/dbraw/zinc/12/84/71/1200128471.db2.gz GOTFEKFFTNQYLT-RDJZCZTQSA-N 1 1 375.469 0.521 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000171280065 1200205947 /nfs/dbraw/zinc/20/59/47/1200205947.db2.gz GVZRSYLSRXYPOD-ZDUSSCGKSA-N 1 1 382.486 0.266 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H](CNC(C)=O)C3)cc2F)CC1 ZINC000172129878 1200260312 /nfs/dbraw/zinc/26/03/12/1200260312.db2.gz VTDJORARNHVLBN-QGZVFWFLSA-N 1 1 392.475 0.945 10 0 GCAEMO CN(CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(Cl)cn1 ZINC000675917168 1200467370 /nfs/dbraw/zinc/46/73/70/1200467370.db2.gz YHBMRPKMJNNJMN-HNNXBMFYSA-N 1 1 379.892 0.936 10 0 GCAEMO C[C@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676249542 1200522655 /nfs/dbraw/zinc/52/26/55/1200522655.db2.gz GUXGFKNNWOUNSD-WCQYABFASA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676249542 1200522659 /nfs/dbraw/zinc/52/26/59/1200522659.db2.gz GUXGFKNNWOUNSD-WCQYABFASA-N 1 1 380.411 0.948 10 0 GCAEMO COC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732695822 1201557069 /nfs/dbraw/zinc/55/70/69/1201557069.db2.gz PLASWGVVVLUGOB-JKSUJKDBSA-N 1 1 385.505 0.785 10 0 GCAEMO CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)C1 ZINC000823784245 1201608484 /nfs/dbraw/zinc/60/84/84/1201608484.db2.gz XNOUDWKCSLPDPB-UHFFFAOYSA-N 1 1 375.473 0.054 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000177926688 1201651063 /nfs/dbraw/zinc/65/10/63/1201651063.db2.gz CMRKWGCAWVWIBL-GOSISDBHSA-N 1 1 388.516 0.860 10 0 GCAEMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000735589710 1201694705 /nfs/dbraw/zinc/69/47/05/1201694705.db2.gz JZGSVIIVLSAWIS-MSOLQXFVSA-N 1 1 388.468 0.441 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000735589716 1201695099 /nfs/dbraw/zinc/69/50/99/1201695099.db2.gz JZGSVIIVLSAWIS-ZWKOTPCHSA-N 1 1 388.468 0.441 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000827610842 1201704596 /nfs/dbraw/zinc/70/45/96/1201704596.db2.gz AFXQCEIWULWNFO-AIANPOQGSA-N 1 1 388.386 0.777 10 0 GCAEMO C[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1CO ZINC000828725199 1201719292 /nfs/dbraw/zinc/71/92/92/1201719292.db2.gz RSAQKSCHOYFWQD-GFCCVEGCSA-N 1 1 399.289 0.112 10 0 GCAEMO C[N@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1CO ZINC000828725199 1201719296 /nfs/dbraw/zinc/71/92/96/1201719296.db2.gz RSAQKSCHOYFWQD-GFCCVEGCSA-N 1 1 399.289 0.112 10 0 GCAEMO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)C2)cc1 ZINC000828697293 1201719569 /nfs/dbraw/zinc/71/95/69/1201719569.db2.gz MDOGSELQYVMRJS-FXAWDEMLSA-N 1 1 375.469 0.314 10 0 GCAEMO Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000179742537 1201770906 /nfs/dbraw/zinc/77/09/06/1201770906.db2.gz PLSZRBYMKQQRHJ-SFHVURJKSA-N 1 1 390.532 0.918 10 0 GCAEMO Cn1c2ncn(CC[N@@H+](C[C@@H]3CCCO3)C3CCCC3)c2c(=O)n(C)c1=O ZINC000182354730 1201870776 /nfs/dbraw/zinc/87/07/76/1201870776.db2.gz CXSMWGXUZGLXBJ-HNNXBMFYSA-N 1 1 375.473 0.857 10 0 GCAEMO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc4cnccc43)CC2)CC1 ZINC000183118472 1201892848 /nfs/dbraw/zinc/89/28/48/1201892848.db2.gz RXBQEHCFQCRCIO-UHFFFAOYSA-N 1 1 389.525 0.845 10 0 GCAEMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCc2ccn(C)n2)cc1 ZINC000766411906 1201923011 /nfs/dbraw/zinc/92/30/11/1201923011.db2.gz OUZJXCMHBPJYIS-UHFFFAOYSA-N 1 1 399.499 0.952 10 0 GCAEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000787605929 1205394449 /nfs/dbraw/zinc/39/44/49/1205394449.db2.gz XWCMRBLWDIQKQF-ZDUSSCGKSA-N 1 1 375.473 0.948 10 0 GCAEMO CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)CCNC(=O)OC(C)(C)C)CC1 ZINC000789646105 1205445131 /nfs/dbraw/zinc/44/51/31/1205445131.db2.gz WKQDFKVIUYNDHY-LBPRGKRZSA-N 1 1 385.465 0.479 10 0 GCAEMO CC(=O)N1CCC[C@H](C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000791849035 1205481463 /nfs/dbraw/zinc/48/14/63/1205481463.db2.gz CYBDZVUXHLISQF-IRXDYDNUSA-N 1 1 383.489 0.261 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[S@@](=O)CC ZINC000805608661 1205540903 /nfs/dbraw/zinc/54/09/03/1205540903.db2.gz GHRUTNBWPMVXKQ-CRYYWNKWSA-N 1 1 394.541 0.779 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805621749 1205541611 /nfs/dbraw/zinc/54/16/11/1205541611.db2.gz OCSAFLRQAGIJPD-QUGAMOGWSA-N 1 1 379.526 0.852 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000774812963 1205916258 /nfs/dbraw/zinc/91/62/58/1205916258.db2.gz XWJUTPXQQXHJEC-CRYYWNKWSA-N 1 1 395.525 0.833 10 0 GCAEMO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000265346805 530179894 /nfs/dbraw/zinc/17/98/94/530179894.db2.gz RHHJLBHMACTZGZ-JKSUJKDBSA-N 1 1 383.539 0.927 10 0 GCAEMO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000123137937 530273813 /nfs/dbraw/zinc/27/38/13/530273813.db2.gz DSOCTJXHSVXNKR-LBPRGKRZSA-N 1 1 389.909 0.309 10 0 GCAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1n[nH]c2ccc(I)cc21 ZINC000262270960 530278295 /nfs/dbraw/zinc/27/82/95/530278295.db2.gz MXQPQTWPNOCBSE-CPCISQLKSA-N 1 1 386.193 0.478 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246110175 530285035 /nfs/dbraw/zinc/28/50/35/530285035.db2.gz IDONZTIHZKTWHG-IXDOHACOSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246110175 530285038 /nfs/dbraw/zinc/28/50/38/530285038.db2.gz IDONZTIHZKTWHG-IXDOHACOSA-N 1 1 376.567 0.688 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000179868887 530368329 /nfs/dbraw/zinc/36/83/29/530368329.db2.gz OJODOKXZBBQOKR-MFKMUULPSA-N 1 1 399.289 0.931 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000183892389 530374918 /nfs/dbraw/zinc/37/49/18/530374918.db2.gz AYMKKSNPOORIAI-OAHLLOKOSA-N 1 1 384.274 0.763 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000189469267 530384734 /nfs/dbraw/zinc/38/47/34/530384734.db2.gz ZJLBLFCWOHKGCK-NSHDSACASA-N 1 1 385.262 0.698 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000189473977 530384769 /nfs/dbraw/zinc/38/47/69/530384769.db2.gz UUEZUZFHGJHJTE-CYBMUJFWSA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000190106451 530386138 /nfs/dbraw/zinc/38/61/38/530386138.db2.gz HISYGBVMSGYGAP-CMPLNLGQSA-N 1 1 397.273 0.781 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)[C@H]2C1 ZINC000284975367 530388241 /nfs/dbraw/zinc/38/82/41/530388241.db2.gz LVOFCCXCUNUGGP-VHSXEESVSA-N 1 1 379.891 0.594 10 0 GCAEMO C[N@H+]1CCO[C@@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)C[C@H]21 ZINC000408155048 530417490 /nfs/dbraw/zinc/41/74/90/530417490.db2.gz ORXZKHTXXCHPEA-NXEZZACHSA-N 1 1 377.264 0.011 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)CO1 ZINC000408234998 530491139 /nfs/dbraw/zinc/49/11/39/530491139.db2.gz GQEVJGIIVOOBED-JKSUJKDBSA-N 1 1 375.535 0.965 10 0 GCAEMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)ccc1Cl ZINC000371016173 530599834 /nfs/dbraw/zinc/59/98/34/530599834.db2.gz CRDUDPMZYSFWAX-UHFFFAOYSA-N 1 1 376.862 0.815 10 0 GCAEMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)ccc1Cl ZINC000371016173 530599838 /nfs/dbraw/zinc/59/98/38/530599838.db2.gz CRDUDPMZYSFWAX-UHFFFAOYSA-N 1 1 376.862 0.815 10 0 GCAEMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000372134055 530762499 /nfs/dbraw/zinc/76/24/99/530762499.db2.gz NEDBWZZYZLWZEU-AWEZNQCLSA-N 1 1 389.543 0.722 10 0 GCAEMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000490251409 530827839 /nfs/dbraw/zinc/82/78/39/530827839.db2.gz OAGOXRKWTIIWLV-HOTGVXAUSA-N 1 1 375.535 0.760 10 0 GCAEMO Cn1ncc(Br)c1C[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000486990435 530810574 /nfs/dbraw/zinc/81/05/74/530810574.db2.gz XCJUPVDGWYDDCW-UHFFFAOYSA-N 1 1 380.246 0.688 10 0 GCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cn2cc(Br)ccc2=O)cn1 ZINC000181377006 530853515 /nfs/dbraw/zinc/85/35/15/530853515.db2.gz FRCHEYQMNGVGSN-CYBMUJFWSA-N 1 1 380.246 0.517 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181337716 530853648 /nfs/dbraw/zinc/85/36/48/530853648.db2.gz DTEXFQMEIXZFDE-WCQYABFASA-N 1 1 383.499 0.322 10 0 GCAEMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185163320 530855578 /nfs/dbraw/zinc/85/55/78/530855578.db2.gz CVAWMWGKWNEUQG-KGLIPLIRSA-N 1 1 387.274 0.714 10 0 GCAEMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185163320 530855579 /nfs/dbraw/zinc/85/55/79/530855579.db2.gz CVAWMWGKWNEUQG-KGLIPLIRSA-N 1 1 387.274 0.714 10 0 GCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3ccc(Br)o3)[C@H]2C1 ZINC000285729916 530962022 /nfs/dbraw/zinc/96/20/22/530962022.db2.gz KHQNDQKIPOJARA-WDEREUQCSA-N 1 1 386.246 0.703 10 0 GCAEMO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@]3(O)CC[N@H+](C)C3)c(Cl)cc21 ZINC000528369192 530996698 /nfs/dbraw/zinc/99/66/98/530996698.db2.gz YYSLWDXMZIFGSX-INIZCTEOSA-N 1 1 387.889 0.594 10 0 GCAEMO COc1ccc(Br)c(-c2nnn(C[C@H](O)C[NH+]3CCOCC3)n2)c1 ZINC000126739578 531034346 /nfs/dbraw/zinc/03/43/46/531034346.db2.gz VJGSMFSAAPBYCG-LLVKDONJSA-N 1 1 398.261 0.804 10 0 GCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262607095 531030758 /nfs/dbraw/zinc/03/07/58/531030758.db2.gz HAJUCGQETJNHMK-NSHDSACASA-N 1 1 393.918 0.613 10 0 GCAEMO COc1ccc(Br)cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000547276647 531096210 /nfs/dbraw/zinc/09/62/10/531096210.db2.gz KBPFSDOOVNNIJV-ZDUSSCGKSA-N 1 1 379.276 0.803 10 0 GCAEMO CC[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000552880627 531146792 /nfs/dbraw/zinc/14/67/92/531146792.db2.gz ODIXBGLSFLDWPO-CVEARBPZSA-N 1 1 375.535 0.664 10 0 GCAEMO CC[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000552880627 531146793 /nfs/dbraw/zinc/14/67/93/531146793.db2.gz ODIXBGLSFLDWPO-CVEARBPZSA-N 1 1 375.535 0.664 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000015868851 207066152 /nfs/dbraw/zinc/06/61/52/207066152.db2.gz FCBVOZPDCPFDBS-UHFFFAOYSA-N 1 1 387.527 0.383 10 0 GCAEMO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000020454262 207194758 /nfs/dbraw/zinc/19/47/58/207194758.db2.gz SRMYVEAZXTZMMB-UHFFFAOYSA-N 1 1 398.467 0.677 10 0 GCAEMO CN1c2cc(NC(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2OCC1=O ZINC000299762763 209084584 /nfs/dbraw/zinc/08/45/84/209084584.db2.gz XPFNTBFERPOPFN-LBPRGKRZSA-N 1 1 375.429 0.361 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000055246246 639585425 /nfs/dbraw/zinc/58/54/25/639585425.db2.gz MQPCAVSYUYZUJK-UHFFFAOYSA-N 1 1 385.877 0.430 10 0 GCAEMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1c1cccs1 ZINC000788393162 641367439 /nfs/dbraw/zinc/36/74/39/641367439.db2.gz WIIHPJWKTGSVCW-TZMCWYRMSA-N 1 1 387.527 0.408 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000789706238 641396925 /nfs/dbraw/zinc/39/69/25/641396925.db2.gz PIAQJWZOWYHVPE-DEOSSOPVSA-N 1 1 375.560 0.349 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3nccs3)CC2)C1 ZINC000248268598 1192237481 /nfs/dbraw/zinc/23/74/81/1192237481.db2.gz YVFIXRKAPVAFQY-INIZCTEOSA-N 1 1 381.546 0.738 10 0 GCAEMO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)S(=O)(=O)c1cccnc1 ZINC000261647910 1192634361 /nfs/dbraw/zinc/63/43/61/1192634361.db2.gz GDZHXXCXBYYCDO-MRXNPFEDSA-N 1 1 375.454 0.270 10 0 GCAEMO CC(=O)N(c1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1)C1CC1 ZINC000654908320 1184203452 /nfs/dbraw/zinc/20/34/52/1184203452.db2.gz ZBYORSHITJMGTD-ZWKOTPCHSA-N 1 1 386.452 0.418 10 0 GCAEMO CN(C)c1nc(N2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2)cc[nH+]1 ZINC000471187826 1184386164 /nfs/dbraw/zinc/38/61/64/1184386164.db2.gz SVKGNXNINUCWEF-UHFFFAOYSA-N 1 1 396.542 0.866 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)C1 ZINC000180459148 1184502691 /nfs/dbraw/zinc/50/26/91/1184502691.db2.gz IYVNZJJMXRYLBA-CQSZACIVSA-N 1 1 392.422 0.910 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000246978122 1184576295 /nfs/dbraw/zinc/57/62/95/1184576295.db2.gz DVCOLGYHLZAYGC-RDJZCZTQSA-N 1 1 380.514 0.984 10 0 GCAEMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510174207 1184591200 /nfs/dbraw/zinc/59/12/00/1184591200.db2.gz FJIXJVWQTOYWPX-HIFRSBDPSA-N 1 1 388.534 0.652 10 0 GCAEMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510215461 1184615018 /nfs/dbraw/zinc/61/50/18/1184615018.db2.gz SZJWNLFPRVXIGX-HNNXBMFYSA-N 1 1 389.518 0.192 10 0 GCAEMO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000275395101 1184651039 /nfs/dbraw/zinc/65/10/39/1184651039.db2.gz AZONHIOEQGNOBN-SFHVURJKSA-N 1 1 387.484 0.504 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000510256724 1184676286 /nfs/dbraw/zinc/67/62/86/1184676286.db2.gz KYMCXUDIGNXBEW-UHFFFAOYSA-N 1 1 389.468 0.885 10 0 GCAEMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc21 ZINC000655648186 1184765590 /nfs/dbraw/zinc/76/55/90/1184765590.db2.gz HGSKRVIYMDRKCA-JKSUJKDBSA-N 1 1 379.482 0.425 10 0 GCAEMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc21 ZINC000655648186 1184765596 /nfs/dbraw/zinc/76/55/96/1184765596.db2.gz HGSKRVIYMDRKCA-JKSUJKDBSA-N 1 1 379.482 0.425 10 0 GCAEMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)CCOC(C)C)CC1 ZINC000471555977 1185153168 /nfs/dbraw/zinc/15/31/68/1185153168.db2.gz OJZPDYXVAQFYCL-MRXNPFEDSA-N 1 1 385.530 0.893 10 0 GCAEMO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000580336869 1185177103 /nfs/dbraw/zinc/17/71/03/1185177103.db2.gz FPPYLGDNHBGDNF-KRWDZBQOSA-N 1 1 388.468 0.697 10 0 GCAEMO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000580336869 1185177106 /nfs/dbraw/zinc/17/71/06/1185177106.db2.gz FPPYLGDNHBGDNF-KRWDZBQOSA-N 1 1 388.468 0.697 10 0 GCAEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000581443955 1185690637 /nfs/dbraw/zinc/69/06/37/1185690637.db2.gz WVOOCBXHCYXBHM-LPHOPBHVSA-N 1 1 387.480 0.893 10 0 GCAEMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000581502286 1185730765 /nfs/dbraw/zinc/73/07/65/1185730765.db2.gz IKJULUCWCFFUGW-UHFFFAOYSA-N 1 1 394.516 0.076 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276611786 1185929903 /nfs/dbraw/zinc/92/99/03/1185929903.db2.gz RMAHATXFERFYFH-DLBZAZTESA-N 1 1 377.464 0.472 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000328858292 1185985479 /nfs/dbraw/zinc/98/54/79/1185985479.db2.gz YGHBQAGAQDNZIU-MRXNPFEDSA-N 1 1 384.484 0.420 10 0 GCAEMO O=C(NC[C@@H](O)Cn1ccnn1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000458140383 1186208065 /nfs/dbraw/zinc/20/80/65/1186208065.db2.gz NGOGSQVFOCWPGA-HZPDHXFCSA-N 1 1 379.411 0.913 10 0 GCAEMO O=C(NC[C@H](O)Cn1ccnn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000458140382 1186208236 /nfs/dbraw/zinc/20/82/36/1186208236.db2.gz NGOGSQVFOCWPGA-HOTGVXAUSA-N 1 1 379.411 0.913 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000097058418 1186265952 /nfs/dbraw/zinc/26/59/52/1186265952.db2.gz DXNVQBKYAFVPAK-QGZVFWFLSA-N 1 1 388.512 0.809 10 0 GCAEMO C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025942805 1186360669 /nfs/dbraw/zinc/36/06/69/1186360669.db2.gz YXMXPCRVLMLEAA-HVHJFMEUSA-N 1 1 382.464 0.660 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157557559 1186364741 /nfs/dbraw/zinc/36/47/41/1186364741.db2.gz QQQZDDLLQQSJMY-SNVBAGLBSA-N 1 1 376.461 0.460 10 0 GCAEMO CO[C@]1(C)C[C@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1(C)C ZINC000072897845 1186523392 /nfs/dbraw/zinc/52/33/92/1186523392.db2.gz AFWPNTCDHUOHSA-ORAYPTAESA-N 1 1 377.489 0.959 10 0 GCAEMO O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159182295 1186560797 /nfs/dbraw/zinc/56/07/97/1186560797.db2.gz ZBSROIFKYLMXRF-QGZVFWFLSA-N 1 1 380.448 0.865 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)c1ccccc1 ZINC000685005497 1186623398 /nfs/dbraw/zinc/62/33/98/1186623398.db2.gz WXDYCENQAROGIZ-YWTNHNAXSA-N 1 1 375.469 0.452 10 0 GCAEMO COc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1-n1cnnn1 ZINC000120170711 1186707706 /nfs/dbraw/zinc/70/77/06/1186707706.db2.gz DPDMJXBZOJBDSW-KRWDZBQOSA-N 1 1 399.499 0.913 10 0 GCAEMO CNS(=O)(=O)c1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000154355077 1186788814 /nfs/dbraw/zinc/78/88/14/1186788814.db2.gz XBZPSUXGCKHWEU-YIONKMFJSA-N 1 1 396.513 0.571 10 0 GCAEMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458423472 1186792727 /nfs/dbraw/zinc/79/27/27/1186792727.db2.gz ATWLSFXYPBQPAO-SJLPKXTDSA-N 1 1 387.488 0.149 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000156761649 1186877590 /nfs/dbraw/zinc/87/75/90/1186877590.db2.gz QKVPYEFIIDCEFV-XJKCOSOUSA-N 1 1 377.407 0.845 10 0 GCAEMO c1cnc(-c2nnc(N3CC[NH+]([C@H]4CCOC4)CC3)n2C[C@H]2CCCO2)nc1 ZINC000611877737 1187075451 /nfs/dbraw/zinc/07/54/51/1187075451.db2.gz AQPFGYOLEACLMC-JKSUJKDBSA-N 1 1 385.472 0.825 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1S(N)(=O)=O ZINC000511379872 1187590597 /nfs/dbraw/zinc/59/05/97/1187590597.db2.gz MQKBSDFEPYAQJH-NSHDSACASA-N 1 1 385.461 0.791 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cn1 ZINC000173720519 1187735806 /nfs/dbraw/zinc/73/58/06/1187735806.db2.gz KINBCKKQKUUNCD-UHFFFAOYSA-N 1 1 397.545 0.859 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000472553306 1187762792 /nfs/dbraw/zinc/76/27/92/1187762792.db2.gz WMAVBSMPXKCDLE-AWEZNQCLSA-N 1 1 396.513 0.125 10 0 GCAEMO CCC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(=O)OC(C)(C)C ZINC000186318778 1187833799 /nfs/dbraw/zinc/83/37/99/1187833799.db2.gz LQVXZMNKGVTRCJ-UHFFFAOYSA-N 1 1 393.488 0.878 10 0 GCAEMO CCC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(=O)OC(C)(C)C ZINC000186318778 1187833802 /nfs/dbraw/zinc/83/38/02/1187833802.db2.gz LQVXZMNKGVTRCJ-UHFFFAOYSA-N 1 1 393.488 0.878 10 0 GCAEMO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2CC1 ZINC000644297306 1188025435 /nfs/dbraw/zinc/02/54/35/1188025435.db2.gz AQARBGKHFQJWMH-MJGOQNOKSA-N 1 1 377.510 0.958 10 0 GCAEMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434681763 1194860704 /nfs/dbraw/zinc/86/07/04/1194860704.db2.gz RMMNPMOIGIIQLJ-UHFFFAOYSA-N 1 1 377.489 1.199 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000434735395 1194867343 /nfs/dbraw/zinc/86/73/43/1194867343.db2.gz ITDHZWHRGXFTQE-LLVKDONJSA-N 1 1 393.513 0.533 10 0 GCAEMO COC(=O)CC1(CS(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000437223196 1195084814 /nfs/dbraw/zinc/08/48/14/1195084814.db2.gz VECUBRFLNCDAEY-UHFFFAOYSA-N 1 1 397.501 0.338 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000516810556 1195101861 /nfs/dbraw/zinc/10/18/61/1195101861.db2.gz HLXITVIRDBLCHH-UHFFFAOYSA-N 1 1 377.489 0.608 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000516810556 1195101863 /nfs/dbraw/zinc/10/18/63/1195101863.db2.gz HLXITVIRDBLCHH-UHFFFAOYSA-N 1 1 377.489 0.608 10 0 GCAEMO Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@H](O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506632536 1195338049 /nfs/dbraw/zinc/33/80/49/1195338049.db2.gz BXXIELGHWMWJQP-ROUUACIJSA-N 1 1 393.532 0.627 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439847934 1195358664 /nfs/dbraw/zinc/35/86/64/1195358664.db2.gz HNSVBTKXJYUUOI-UHFFFAOYSA-N 1 1 387.484 0.458 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000550027120 1195394138 /nfs/dbraw/zinc/39/41/38/1195394138.db2.gz HNSNEYRCISTNQO-IXDOHACOSA-N 1 1 377.489 0.872 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000550027120 1195394140 /nfs/dbraw/zinc/39/41/40/1195394140.db2.gz HNSNEYRCISTNQO-IXDOHACOSA-N 1 1 377.489 0.872 10 0 GCAEMO COc1ccc(CN2CCN(C(=O)CN3CC[N@H+](CCO)[C@@H](C)C3)CC2)cc1 ZINC000187662355 1195420576 /nfs/dbraw/zinc/42/05/76/1195420576.db2.gz YUOPKDXMULBRED-SFHVURJKSA-N 1 1 390.528 0.338 10 0 GCAEMO COc1ccc(CN2CCN(C(=O)CN3CC[N@@H+](CCO)[C@@H](C)C3)CC2)cc1 ZINC000187662355 1195420577 /nfs/dbraw/zinc/42/05/77/1195420577.db2.gz YUOPKDXMULBRED-SFHVURJKSA-N 1 1 390.528 0.338 10 0 GCAEMO C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+]1CCO ZINC000187673790 1195421113 /nfs/dbraw/zinc/42/11/13/1195421113.db2.gz VBCJDMRNTFWYLP-QGZVFWFLSA-N 1 1 388.512 0.537 10 0 GCAEMO C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC[N@H+]1CCO ZINC000187673790 1195421115 /nfs/dbraw/zinc/42/11/15/1195421115.db2.gz VBCJDMRNTFWYLP-QGZVFWFLSA-N 1 1 388.512 0.537 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1nnc2ccccn21 ZINC000550196108 1195458698 /nfs/dbraw/zinc/45/86/98/1195458698.db2.gz JUZIUAJGFLREPM-CQSZACIVSA-N 1 1 386.456 0.057 10 0 GCAEMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000550270323 1195473756 /nfs/dbraw/zinc/47/37/56/1195473756.db2.gz ULRXGPZCQPQFIP-GOSISDBHSA-N 1 1 391.468 0.131 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427494954 1195544052 /nfs/dbraw/zinc/54/40/52/1195544052.db2.gz AKJYWAGCUKVSIR-AWEZNQCLSA-N 1 1 397.497 0.083 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427494954 1195544054 /nfs/dbraw/zinc/54/40/54/1195544054.db2.gz AKJYWAGCUKVSIR-AWEZNQCLSA-N 1 1 397.497 0.083 10 0 GCAEMO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000519690029 1195564946 /nfs/dbraw/zinc/56/49/46/1195564946.db2.gz DPBXFXCZLVSYNU-AEFFLSMTSA-N 1 1 389.500 0.394 10 0 GCAEMO C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000440959562 1195591175 /nfs/dbraw/zinc/59/11/75/1195591175.db2.gz XLKPFPYWGQMEGE-UHFFFAOYSA-N 1 1 391.440 0.112 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000328911704 1195679751 /nfs/dbraw/zinc/67/97/51/1195679751.db2.gz OIZFJMHDHYOIFI-INIZCTEOSA-N 1 1 381.498 0.985 10 0 GCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182608911 1195788080 /nfs/dbraw/zinc/78/80/80/1195788080.db2.gz DLCJSOZNTWGHKV-UBLGTCEWSA-N 1 1 391.560 0.355 10 0 GCAEMO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808662 1195923869 /nfs/dbraw/zinc/92/38/69/1195923869.db2.gz PFFWMPJFQOLAGL-CQSZACIVSA-N 1 1 386.452 0.953 10 0 GCAEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808662 1195923871 /nfs/dbraw/zinc/92/38/71/1195923871.db2.gz PFFWMPJFQOLAGL-CQSZACIVSA-N 1 1 386.452 0.953 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000441911562 1195932371 /nfs/dbraw/zinc/93/23/71/1195932371.db2.gz QNEDNDOWCDDPAG-UHFFFAOYSA-N 1 1 393.469 0.635 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000442306448 1195975573 /nfs/dbraw/zinc/97/55/73/1195975573.db2.gz LBLLLGVFFCCPKO-YPMHNXCESA-N 1 1 380.470 0.275 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000550458830 1195987224 /nfs/dbraw/zinc/98/72/24/1195987224.db2.gz SQNXSSNEYTVRSK-IBGZPJMESA-N 1 1 388.512 0.808 10 0 GCAEMO COc1cccc(C[C@@H](O)C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000442977759 1196012704 /nfs/dbraw/zinc/01/27/04/1196012704.db2.gz WEQWSSJSILUSBO-QGZVFWFLSA-N 1 1 385.468 0.803 10 0 GCAEMO COCC(=O)Nc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000550486365 1196054338 /nfs/dbraw/zinc/05/43/38/1196054338.db2.gz NRVFCZIFSJKFSN-UHFFFAOYSA-N 1 1 388.468 0.656 10 0 GCAEMO CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000550534394 1196078986 /nfs/dbraw/zinc/07/89/86/1196078986.db2.gz JFJPTAVFKMGCFC-ROUUACIJSA-N 1 1 375.469 0.819 10 0 GCAEMO CC1CCN(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000329214483 1196177077 /nfs/dbraw/zinc/17/70/77/1196177077.db2.gz LETZRKKMTMDDLS-UHFFFAOYSA-N 1 1 386.562 0.839 10 0 GCAEMO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000329502420 1196201506 /nfs/dbraw/zinc/20/15/06/1196201506.db2.gz HVGKSKLVPJGSJQ-QGZVFWFLSA-N 1 1 379.526 0.941 10 0 GCAEMO CCOCC[C@H](O)C[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000444684479 1196512507 /nfs/dbraw/zinc/51/25/07/1196512507.db2.gz KCZUFXMWNIPTTD-ZWKOTPCHSA-N 1 1 393.532 0.629 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000445203729 1196561301 /nfs/dbraw/zinc/56/13/01/1196561301.db2.gz NTJMKHNLEPQTFP-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000445203729 1196561306 /nfs/dbraw/zinc/56/13/06/1196561306.db2.gz NTJMKHNLEPQTFP-CQSZACIVSA-N 1 1 390.484 0.911 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)NCc3ccco3)CC2)cc[nH+]1 ZINC000524772325 1196623286 /nfs/dbraw/zinc/62/32/86/1196623286.db2.gz FTDFABRDFIKLOF-UHFFFAOYSA-N 1 1 387.444 0.284 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc[nH+]1 ZINC000524978341 1196641403 /nfs/dbraw/zinc/64/14/03/1196641403.db2.gz LEMNLDQYEFIFGK-UHFFFAOYSA-N 1 1 383.456 0.673 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(CS(C)(=O)=O)o3)CC2)cc[nH+]1 ZINC000524970296 1196641946 /nfs/dbraw/zinc/64/19/46/1196641946.db2.gz ZGWMXLPQKQFKFT-UHFFFAOYSA-N 1 1 393.469 0.643 10 0 GCAEMO Cn1cc([C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(F)(F)F)cn1 ZINC000446467447 1196643283 /nfs/dbraw/zinc/64/32/83/1196643283.db2.gz UXCKWZJSTJQWHA-DGCLKSJQSA-N 1 1 390.410 0.910 10 0 GCAEMO COC(=O)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000525218170 1196657658 /nfs/dbraw/zinc/65/76/58/1196657658.db2.gz JELBQKGXXMNSOO-JKSUJKDBSA-N 1 1 381.473 0.111 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)C(=O)NCCCc3ccccc3)CC2)cc[nH+]1 ZINC000525802188 1196711039 /nfs/dbraw/zinc/71/10/39/1196711039.db2.gz IXABAPUZGKZSEW-UHFFFAOYSA-N 1 1 396.495 0.940 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448318236 1196791748 /nfs/dbraw/zinc/79/17/48/1196791748.db2.gz APZWQMIZQUNKOO-OAHLLOKOSA-N 1 1 396.513 0.770 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451138904 1196972808 /nfs/dbraw/zinc/97/28/08/1196972808.db2.gz RGTMGDJXGHBMDO-HUUCEWRRSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451138904 1196972811 /nfs/dbraw/zinc/97/28/11/1196972811.db2.gz RGTMGDJXGHBMDO-HUUCEWRRSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC12COC2 ZINC000451124174 1196973492 /nfs/dbraw/zinc/97/34/92/1196973492.db2.gz HBENCOWEBJAFGV-GJZGRUSLSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC12COC2 ZINC000451124174 1196973493 /nfs/dbraw/zinc/97/34/93/1196973493.db2.gz HBENCOWEBJAFGV-GJZGRUSLSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129578 1196973992 /nfs/dbraw/zinc/97/39/92/1196973992.db2.gz CXWOWHBSEWHPNM-IUODEOHRSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129578 1196973995 /nfs/dbraw/zinc/97/39/95/1196973995.db2.gz CXWOWHBSEWHPNM-IUODEOHRSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451136336 1196974470 /nfs/dbraw/zinc/97/44/70/1196974470.db2.gz NKLYQVKNAGIDPF-INIZCTEOSA-N 1 1 389.452 0.914 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)CC12COC2 ZINC000451143596 1196975055 /nfs/dbraw/zinc/97/50/55/1196975055.db2.gz XCTQCIWKEMLUQI-INIZCTEOSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)CC12COC2 ZINC000451143596 1196975057 /nfs/dbraw/zinc/97/50/57/1196975057.db2.gz XCTQCIWKEMLUQI-INIZCTEOSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCc2cccc(COC)c2)CC12COC2 ZINC000451144104 1196975126 /nfs/dbraw/zinc/97/51/26/1196975126.db2.gz XQGFIWPJLMZAAC-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCc2cccc(COC)c2)CC12COC2 ZINC000451144104 1196975129 /nfs/dbraw/zinc/97/51/29/1196975129.db2.gz XQGFIWPJLMZAAC-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC12COC2 ZINC000451144794 1196975499 /nfs/dbraw/zinc/97/54/99/1196975499.db2.gz YEXMWNONZZJEGK-AEFFLSMTSA-N 1 1 392.452 0.896 10 0 GCAEMO Cc1nnc(CN2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000530585458 1196998034 /nfs/dbraw/zinc/99/80/34/1196998034.db2.gz MUUSVZNDJHFLFT-FQEVSTJZSA-N 1 1 384.484 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000530585458 1196998035 /nfs/dbraw/zinc/99/80/35/1196998035.db2.gz MUUSVZNDJHFLFT-FQEVSTJZSA-N 1 1 384.484 0.394 10 0 GCAEMO Cc1nc(CN2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000530585458 1196998036 /nfs/dbraw/zinc/99/80/36/1196998036.db2.gz MUUSVZNDJHFLFT-FQEVSTJZSA-N 1 1 384.484 0.394 10 0 GCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000530904539 1197025677 /nfs/dbraw/zinc/02/56/77/1197025677.db2.gz IXJCARHFKBKJFF-UHFFFAOYSA-N 1 1 379.490 0.404 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268688 1197049280 /nfs/dbraw/zinc/04/92/80/1197049280.db2.gz XFJQPKLILZJXNT-QZTJIDSGSA-N 1 1 388.464 0.926 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268688 1197049285 /nfs/dbraw/zinc/04/92/85/1197049285.db2.gz XFJQPKLILZJXNT-QZTJIDSGSA-N 1 1 388.464 0.926 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000452373520 1197056989 /nfs/dbraw/zinc/05/69/89/1197056989.db2.gz GXSARKUAUGUHPF-KRWDZBQOSA-N 1 1 397.541 0.887 10 0 GCAEMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000123473580 1197096413 /nfs/dbraw/zinc/09/64/13/1197096413.db2.gz JKOLVCFVVMWYQQ-CQSZACIVSA-N 1 1 386.452 0.565 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531918766 1197104208 /nfs/dbraw/zinc/10/42/08/1197104208.db2.gz OVSTYYHTFVHNQT-SJORKVTESA-N 1 1 381.498 0.968 10 0 GCAEMO CCOc1ccnc(N2CCC[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000532013657 1197107794 /nfs/dbraw/zinc/10/77/94/1197107794.db2.gz NGAGVWUXECATJT-IAGOWNOFSA-N 1 1 380.489 0.944 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000170856252 1197155146 /nfs/dbraw/zinc/15/51/46/1197155146.db2.gz NVLRSUQCDSKFCJ-HZPDHXFCSA-N 1 1 395.529 0.734 10 0 GCAEMO CN(C)C(=O)Cn1cc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000172753009 1197173711 /nfs/dbraw/zinc/17/37/11/1197173711.db2.gz PUEYKORTRMZXGN-UHFFFAOYSA-N 1 1 391.520 0.046 10 0 GCAEMO CC[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000173203662 1197176400 /nfs/dbraw/zinc/17/64/00/1197176400.db2.gz JFVTXDVAXLHKLN-QGZVFWFLSA-N 1 1 378.517 0.790 10 0 GCAEMO Cc1nc(S(=O)(=O)NCCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1C ZINC000174231661 1197180191 /nfs/dbraw/zinc/18/01/91/1197180191.db2.gz YFTREWKKNCZKGD-GOOCMWNKSA-N 1 1 383.518 0.528 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175491599 1197184190 /nfs/dbraw/zinc/18/41/90/1197184190.db2.gz IZXMNTAOOWMKDD-LJQANCHMSA-N 1 1 382.549 0.256 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000175501376 1197184780 /nfs/dbraw/zinc/18/47/80/1197184780.db2.gz DQEZNLZFORVDNE-MRXNPFEDSA-N 1 1 386.562 0.623 10 0 GCAEMO O=C(CC[N@H+]1CCCC[C@H]1CN1CCOCC1)NC(=O)NCC(F)(F)F ZINC000177068609 1197189377 /nfs/dbraw/zinc/18/93/77/1197189377.db2.gz FTCMTURFNMTBID-ZDUSSCGKSA-N 1 1 380.411 0.951 10 0 GCAEMO COCCCS(=O)(=O)NCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182568018 1197207448 /nfs/dbraw/zinc/20/74/48/1197207448.db2.gz FGCIWFPLNAHEFX-JWTNVVGKSA-N 1 1 388.578 0.185 10 0 GCAEMO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cn(-c2ccccc2)nn1 ZINC000185477056 1197214218 /nfs/dbraw/zinc/21/42/18/1197214218.db2.gz GFESZRIDCFDWBI-CYBMUJFWSA-N 1 1 394.439 0.365 10 0 GCAEMO CCOC(=O)c1nn(C)cc1CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000186216713 1197227342 /nfs/dbraw/zinc/22/73/42/1197227342.db2.gz ROALYDSDDBQVHD-UHFFFAOYSA-N 1 1 391.516 0.973 10 0 GCAEMO C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000187739645 1197231774 /nfs/dbraw/zinc/23/17/74/1197231774.db2.gz HORIHUJLPBALHO-QGZVFWFLSA-N 1 1 388.512 0.862 10 0 GCAEMO C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC[N@H+]1CCO ZINC000187739645 1197231778 /nfs/dbraw/zinc/23/17/78/1197231778.db2.gz HORIHUJLPBALHO-QGZVFWFLSA-N 1 1 388.512 0.862 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000364933177 1197244874 /nfs/dbraw/zinc/24/48/74/1197244874.db2.gz XOKNGJGNVUULPB-QWQRMKEZSA-N 1 1 380.489 0.543 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cnccn3)CC2)C1 ZINC000192559155 1197247474 /nfs/dbraw/zinc/24/74/74/1197247474.db2.gz UNPCWJXCUXHEFZ-KRWDZBQOSA-N 1 1 376.505 0.072 10 0 GCAEMO CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192790898 1197248715 /nfs/dbraw/zinc/24/87/15/1197248715.db2.gz MPZRDBYZTXCTLN-IRXDYDNUSA-N 1 1 380.514 0.842 10 0 GCAEMO O=C(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439550 1197255404 /nfs/dbraw/zinc/25/54/04/1197255404.db2.gz MBGTWXRPYAHDLT-MRXNPFEDSA-N 1 1 396.499 0.931 10 0 GCAEMO O=C(C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439550 1197255405 /nfs/dbraw/zinc/25/54/05/1197255405.db2.gz MBGTWXRPYAHDLT-MRXNPFEDSA-N 1 1 396.499 0.931 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000193423514 1197255443 /nfs/dbraw/zinc/25/54/43/1197255443.db2.gz TVGNXAHAJUOJAL-UHFFFAOYSA-N 1 1 399.499 0.782 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000475837244 1197267460 /nfs/dbraw/zinc/26/74/60/1197267460.db2.gz OZWYATWIVIWUHL-INIZCTEOSA-N 1 1 379.482 0.863 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000041209640 1197351258 /nfs/dbraw/zinc/35/12/58/1197351258.db2.gz UFJDBDQKVBOYMW-HNNXBMFYSA-N 1 1 384.502 0.856 10 0 GCAEMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000041208884 1197351357 /nfs/dbraw/zinc/35/13/57/1197351357.db2.gz GPZPMNVYPNKETQ-UHFFFAOYSA-N 1 1 383.518 0.591 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CC[C@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519030 1197351865 /nfs/dbraw/zinc/35/18/65/1197351865.db2.gz ZLFQHQLSQQEPQD-KBPBESRZSA-N 1 1 380.518 0.489 10 0 GCAEMO CC(C)N1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000126043650 1197356573 /nfs/dbraw/zinc/35/65/73/1197356573.db2.gz STKJMGIVCYBZPQ-UJJTZGENSA-N 1 1 377.533 0.948 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000130638788 1197372695 /nfs/dbraw/zinc/37/26/95/1197372695.db2.gz PJLMVUDCULMETJ-WMLDXEAASA-N 1 1 376.844 0.762 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000130638788 1197372698 /nfs/dbraw/zinc/37/26/98/1197372698.db2.gz PJLMVUDCULMETJ-WMLDXEAASA-N 1 1 376.844 0.762 10 0 GCAEMO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)cn1C ZINC000051383502 1197382588 /nfs/dbraw/zinc/38/25/88/1197382588.db2.gz BLVUIROZAOIQOC-HNNXBMFYSA-N 1 1 383.518 0.340 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1S(N)(=O)=O ZINC000532688489 1197384404 /nfs/dbraw/zinc/38/44/04/1197384404.db2.gz YGGOOTNIKZWOPC-DZGCQCFKSA-N 1 1 399.488 0.967 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@](C)(C(N)=O)c2ccccc2)C1 ZINC000195225440 1197400720 /nfs/dbraw/zinc/40/07/20/1197400720.db2.gz IRUMNCKVNHVQAA-PXNSSMCTSA-N 1 1 376.501 0.450 10 0 GCAEMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532729763 1197406388 /nfs/dbraw/zinc/40/63/88/1197406388.db2.gz AXDIREZXCPVPJP-ZDUSSCGKSA-N 1 1 377.493 0.677 10 0 GCAEMO CC1CCC(NC(=O)CN2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)CC1 ZINC000533049893 1197429056 /nfs/dbraw/zinc/42/90/56/1197429056.db2.gz COTYQTDXLAQBKH-NTFDOXNWSA-N 1 1 397.560 0.855 10 0 GCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000533060457 1197429923 /nfs/dbraw/zinc/42/99/23/1197429923.db2.gz FRYXCWIIWDJDNB-FUMNGEBKSA-N 1 1 397.560 0.855 10 0 GCAEMO CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)OC ZINC000245945926 1197440449 /nfs/dbraw/zinc/44/04/49/1197440449.db2.gz KMYFYKRUTGWKPG-RYBCJPSJSA-N 1 1 394.560 0.933 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NCC3(C(N)=O)CCOCC3)cc2F)CC1 ZINC000066315356 1197464461 /nfs/dbraw/zinc/46/44/61/1197464461.db2.gz MSJGEZSIMQKNNJ-UHFFFAOYSA-N 1 1 392.475 0.980 10 0 GCAEMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000533686535 1197466998 /nfs/dbraw/zinc/46/69/98/1197466998.db2.gz UBYVNAXZYGSVNJ-SFHVURJKSA-N 1 1 395.525 0.949 10 0 GCAEMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000533686535 1197466999 /nfs/dbraw/zinc/46/69/99/1197466999.db2.gz UBYVNAXZYGSVNJ-SFHVURJKSA-N 1 1 395.525 0.949 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCc3nc(C)no3)CC2)CC1 ZINC000066702651 1197467397 /nfs/dbraw/zinc/46/73/97/1197467397.db2.gz IVIRJIIUFMSJFK-UHFFFAOYSA-N 1 1 392.504 0.896 10 0 GCAEMO CC(C)CCC(=O)NCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066932141 1197467470 /nfs/dbraw/zinc/46/74/70/1197467470.db2.gz JJKYKJXQRPRPFG-UHFFFAOYSA-N 1 1 380.533 0.942 10 0 GCAEMO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066858752 1197467624 /nfs/dbraw/zinc/46/76/24/1197467624.db2.gz SKQRJUNRURDZHP-OAHLLOKOSA-N 1 1 390.484 0.801 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000247011120 1197474468 /nfs/dbraw/zinc/47/44/68/1197474468.db2.gz QKVPYEFIIDCEFV-WOSRLPQWSA-N 1 1 377.407 0.845 10 0 GCAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000248883919 1197480838 /nfs/dbraw/zinc/48/08/38/1197480838.db2.gz XLKKCGICHHIXON-GFCCVEGCSA-N 1 1 395.451 0.762 10 0 GCAEMO CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249353891 1197481493 /nfs/dbraw/zinc/48/14/93/1197481493.db2.gz KUHZPXLXZKJUIG-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249353891 1197481495 /nfs/dbraw/zinc/48/14/95/1197481495.db2.gz KUHZPXLXZKJUIG-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249353891 1197481497 /nfs/dbraw/zinc/48/14/97/1197481497.db2.gz KUHZPXLXZKJUIG-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249353891 1197481500 /nfs/dbraw/zinc/48/15/00/1197481500.db2.gz KUHZPXLXZKJUIG-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2nnc3n2CCCC3)CC1=O ZINC000251504144 1197490061 /nfs/dbraw/zinc/49/00/61/1197490061.db2.gz FUKUIFYIABANGH-HOTGVXAUSA-N 1 1 388.516 0.606 10 0 GCAEMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000253547863 1197502033 /nfs/dbraw/zinc/50/20/33/1197502033.db2.gz AGYISDRGGHPUDL-WMLDXEAASA-N 1 1 385.468 0.747 10 0 GCAEMO O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261651788 1197510428 /nfs/dbraw/zinc/51/04/28/1197510428.db2.gz AOOOWYKJPFDMRF-CADBVGFASA-N 1 1 392.544 0.737 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261889354 1197517630 /nfs/dbraw/zinc/51/76/30/1197517630.db2.gz QHZCXNQNIBVXQQ-IEBWSBKVSA-N 1 1 388.512 0.892 10 0 GCAEMO Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000508706663 1197554859 /nfs/dbraw/zinc/55/48/59/1197554859.db2.gz PWLODRSNTCTEPO-CQSZACIVSA-N 1 1 377.470 0.406 10 0 GCAEMO Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000508706663 1197554863 /nfs/dbraw/zinc/55/48/63/1197554863.db2.gz PWLODRSNTCTEPO-CQSZACIVSA-N 1 1 377.470 0.406 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993684 1198960699 /nfs/dbraw/zinc/96/06/99/1198960699.db2.gz LJQGIMIBUOCENJ-IAGOWNOFSA-N 1 1 378.517 0.981 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993684 1198960702 /nfs/dbraw/zinc/96/07/02/1198960702.db2.gz LJQGIMIBUOCENJ-IAGOWNOFSA-N 1 1 378.517 0.981 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)C2)nn1 ZINC000672402866 1199228850 /nfs/dbraw/zinc/22/88/50/1199228850.db2.gz VSKBSELXEKADTJ-KRWDZBQOSA-N 1 1 386.500 0.638 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000672419524 1199233084 /nfs/dbraw/zinc/23/30/84/1199233084.db2.gz SLFRHAPLMHTPCE-BZUAXINKSA-N 1 1 388.516 0.775 10 0 GCAEMO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000672534198 1199263062 /nfs/dbraw/zinc/26/30/62/1199263062.db2.gz MWCCBSUKPUVXHY-UHFFFAOYSA-N 1 1 379.505 0.633 10 0 GCAEMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000672712570 1199322152 /nfs/dbraw/zinc/32/21/52/1199322152.db2.gz JJMQVCIPTQPDJC-MRXNPFEDSA-N 1 1 387.484 0.481 10 0 GCAEMO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@@H](CC(N)=O)C3)C2=O)cc1OC ZINC000672773053 1199331509 /nfs/dbraw/zinc/33/15/09/1199331509.db2.gz FASKSFOUEKRGTA-GJZGRUSLSA-N 1 1 389.452 0.571 10 0 GCAEMO C[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)CN1CC[NH+](C)CC1 ZINC000114380281 1199390808 /nfs/dbraw/zinc/39/08/08/1199390808.db2.gz NPOOEDAVHUATAN-CYBMUJFWSA-N 1 1 386.500 0.752 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)NCCCNS(C)(=O)=O)cc2F)CC1 ZINC000066312945 1199397208 /nfs/dbraw/zinc/39/72/08/1199397208.db2.gz HGZGNMQLBRNONM-UHFFFAOYSA-N 1 1 386.493 0.637 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673847693 1199959558 /nfs/dbraw/zinc/95/95/58/1199959558.db2.gz INSDIQCZGJOOTL-WIYYLYMNSA-N 1 1 387.480 0.520 10 0 GCAEMO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 ZINC000703994164 1200430045 /nfs/dbraw/zinc/43/00/45/1200430045.db2.gz KJTPJFGZJSGLRE-CYBMUJFWSA-N 1 1 379.482 0.932 10 0 GCAEMO CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000548026049 1200761333 /nfs/dbraw/zinc/76/13/33/1200761333.db2.gz SJLWANXNTAXCSS-ZMSDIMECSA-N 1 1 397.545 1.562 10 0 GCAEMO CC1(c2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3CCCO)no2)CCCC1 ZINC000453802806 1200803484 /nfs/dbraw/zinc/80/34/84/1200803484.db2.gz DTZIINKHLCCHPT-CQSZACIVSA-N 1 1 378.473 1.408 10 0 GCAEMO C[C@H](c1ccc(NC(=O)C(=O)N(C)Cc2nnnn2C)cc1)[NH+]1CCOCC1 ZINC000466712928 1200963137 /nfs/dbraw/zinc/96/31/37/1200963137.db2.gz JQMGJFQITUTXSP-CYBMUJFWSA-N 1 1 387.444 0.200 10 0 GCAEMO CCNC(=O)NC(=O)CN[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000611266252 1201227051 /nfs/dbraw/zinc/22/70/51/1201227051.db2.gz SEFOBUCXHLNANQ-LJQANCHMSA-N 1 1 376.457 0.630 10 0 GCAEMO CCNC(=O)NC(=O)CN[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611266252 1201227056 /nfs/dbraw/zinc/22/70/56/1201227056.db2.gz SEFOBUCXHLNANQ-LJQANCHMSA-N 1 1 376.457 0.630 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[C@H](C)C1 ZINC000173902865 1201407287 /nfs/dbraw/zinc/40/72/87/1201407287.db2.gz KNIHXPFNYJCCFH-XPKDYRNWSA-N 1 1 399.561 0.892 10 0 GCAEMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccn(C4CCOCC4)n3)CC2)CC1 ZINC000823788477 1201608426 /nfs/dbraw/zinc/60/84/26/1201608426.db2.gz DWZOLRDPVDDPPV-UHFFFAOYSA-N 1 1 390.488 0.360 10 0 GCAEMO Cc1sc2ncnc(SCC(=O)NC[C@@]3(CO)COCC[NH2+]3)c2c1C ZINC000825112354 1201654796 /nfs/dbraw/zinc/65/47/96/1201654796.db2.gz OGWXETOYAZJPFW-MRXNPFEDSA-N 1 1 382.511 0.867 10 0 GCAEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000827610845 1201704689 /nfs/dbraw/zinc/70/46/89/1201704689.db2.gz AFXQCEIWULWNFO-PNBKFKSVSA-N 1 1 388.386 0.777 10 0 GCAEMO CN(C(=O)CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1)C1CCCCC1 ZINC000828637045 1201718673 /nfs/dbraw/zinc/71/86/73/1201718673.db2.gz UUGHJQLFXVVKHE-PXNSSMCTSA-N 1 1 380.533 0.377 10 0 GCAEMO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)[NH+]1CCN(C)CC1 ZINC000770725079 1202108129 /nfs/dbraw/zinc/10/81/29/1202108129.db2.gz JZEUIAATWSMGNG-INIZCTEOSA-N 1 1 376.505 0.624 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC[N@@H+](C)C2CC2)C1=O ZINC000771307409 1202134596 /nfs/dbraw/zinc/13/45/96/1202134596.db2.gz MTTGLSOZUPQKRR-HXUWFJFHSA-N 1 1 388.468 0.981 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787623573 1205395381 /nfs/dbraw/zinc/39/53/81/1205395381.db2.gz AOUGQEBSWFPGRX-SANMLTNESA-N 1 1 379.526 0.824 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787623573 1205395383 /nfs/dbraw/zinc/39/53/83/1205395383.db2.gz AOUGQEBSWFPGRX-SANMLTNESA-N 1 1 379.526 0.824 10 0 GCAEMO CC[C@H](CNC(=O)C(=O)NCC[S@](=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787631352 1205395766 /nfs/dbraw/zinc/39/57/66/1205395766.db2.gz JNZAMEFHYFHZFK-WGDIFIGCSA-N 1 1 379.526 0.824 10 0 GCAEMO CC[C@H](CNC(=O)C(=O)NCC[S@](=O)CC)[N@H+]1CCc2ccccc2C1 ZINC000787631352 1205395769 /nfs/dbraw/zinc/39/57/69/1205395769.db2.gz JNZAMEFHYFHZFK-WGDIFIGCSA-N 1 1 379.526 0.824 10 0 GCAEMO C[C@H](OC(=O)CN1CCOCC1=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790735541 1205470852 /nfs/dbraw/zinc/47/08/52/1205470852.db2.gz KJBVYEZUYJRDNG-RDJZCZTQSA-N 1 1 389.452 0.168 10 0 GCAEMO CCNC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792224062 1205485053 /nfs/dbraw/zinc/48/50/53/1205485053.db2.gz CFAWNKYDJAOTNT-HNNXBMFYSA-N 1 1 397.520 0.849 10 0 GCAEMO CC(=O)N[C@H](C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000792687484 1205492261 /nfs/dbraw/zinc/49/22/61/1205492261.db2.gz QRODZKZPSDXZRF-MJGOQNOKSA-N 1 1 397.516 0.698 10 0 GCAEMO CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000747090205 1205494253 /nfs/dbraw/zinc/49/42/53/1205494253.db2.gz IGDOMFVZICODLE-LPHOPBHVSA-N 1 1 383.489 0.261 10 0 GCAEMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)C1 ZINC000804899781 1205527985 /nfs/dbraw/zinc/52/79/85/1205527985.db2.gz IQHIDUKTQQVJNN-UONOGXRCSA-N 1 1 378.477 0.142 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000805606420 1205540493 /nfs/dbraw/zinc/54/04/93/1205540493.db2.gz ILDJUUXCZWSIEJ-SIBVEZHUSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805620070 1205541634 /nfs/dbraw/zinc/54/16/34/1205541634.db2.gz NQSJVVFMDIOLSG-OJMYTPRHSA-N 1 1 395.525 0.277 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805620070 1205541636 /nfs/dbraw/zinc/54/16/36/1205541636.db2.gz NQSJVVFMDIOLSG-OJMYTPRHSA-N 1 1 395.525 0.277 10 0 GCAEMO O=C(CNC(=O)[C@@H]1CCCC12OCCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000774404566 1205871329 /nfs/dbraw/zinc/87/13/29/1205871329.db2.gz DBKOPGGKDDYGJH-SFHVURJKSA-N 1 1 387.480 0.990 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246909945 530145158 /nfs/dbraw/zinc/14/51/58/530145158.db2.gz ATNXCZDHYDAMOI-QWHCGFSZSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246909945 530145160 /nfs/dbraw/zinc/14/51/60/530145160.db2.gz ATNXCZDHYDAMOI-QWHCGFSZSA-N 1 1 393.303 0.812 10 0 GCAEMO CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000585733420 530304942 /nfs/dbraw/zinc/30/49/42/530304942.db2.gz LLWZHJHVWIMRCM-BZUAXINKSA-N 1 1 375.535 0.662 10 0 GCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000150797063 530310399 /nfs/dbraw/zinc/31/03/99/530310399.db2.gz OQHIEWIJNXNOGV-MFKMUULPSA-N 1 1 399.289 0.931 10 0 GCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000155675832 530321348 /nfs/dbraw/zinc/32/13/48/530321348.db2.gz CBQFXDRHOUOXIB-AOOOYVTPSA-N 1 1 397.277 0.444 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000174985536 530356726 /nfs/dbraw/zinc/35/67/26/530356726.db2.gz MGINGCMDLMSMOC-GHMZBOCLSA-N 1 1 385.262 0.384 10 0 GCAEMO CC[N@@H+](CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(C)C ZINC000588225295 530338416 /nfs/dbraw/zinc/33/84/16/530338416.db2.gz WWAZRWOMSABRLK-UHFFFAOYSA-N 1 1 375.466 0.871 10 0 GCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179849772 530368337 /nfs/dbraw/zinc/36/83/37/530368337.db2.gz ACUQRUJSHOFAEH-NSHDSACASA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173863551 530352779 /nfs/dbraw/zinc/35/27/79/530352779.db2.gz UYAZHCSSKPTZOF-JSGCOSHPSA-N 1 1 384.274 0.790 10 0 GCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000189473963 530384606 /nfs/dbraw/zinc/38/46/06/530384606.db2.gz UUEZUZFHGJHJTE-ZDUSSCGKSA-N 1 1 385.262 0.698 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000189473627 530384705 /nfs/dbraw/zinc/38/47/05/530384705.db2.gz GRBYHCGBKYGMIM-GFCCVEGCSA-N 1 1 385.262 0.698 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000193471348 530393201 /nfs/dbraw/zinc/39/32/01/530393201.db2.gz ARAFGMQAUPGRNM-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000193471348 530393203 /nfs/dbraw/zinc/39/32/03/530393203.db2.gz ARAFGMQAUPGRNM-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO C[N@H+]1CCO[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)C[C@@H]21 ZINC000408155049 530417605 /nfs/dbraw/zinc/41/76/05/530417605.db2.gz ORXZKHTXXCHPEA-UWVGGRQHSA-N 1 1 377.264 0.011 10 0 GCAEMO CNS(=O)(=O)c1csc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000408346479 530506684 /nfs/dbraw/zinc/50/66/84/530506684.db2.gz SBEQXVZQJSLQQS-LBPRGKRZSA-N 1 1 387.527 0.982 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000187280116 530510161 /nfs/dbraw/zinc/51/01/61/530510161.db2.gz WAKMVVWKAUHLBE-GFCCVEGCSA-N 1 1 384.274 0.704 10 0 GCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000187280116 530510164 /nfs/dbraw/zinc/51/01/64/530510164.db2.gz WAKMVVWKAUHLBE-GFCCVEGCSA-N 1 1 384.274 0.704 10 0 GCAEMO C[N@H+]1CCO[C@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)C[C@H]21 ZINC000408372422 530510383 /nfs/dbraw/zinc/51/03/83/530510383.db2.gz BYZNCXAAGDLHMT-NEPJUHHUSA-N 1 1 394.266 0.755 10 0 GCAEMO C[N@H+]1CCO[C@@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)C[C@H]21 ZINC000408372425 530510392 /nfs/dbraw/zinc/51/03/92/530510392.db2.gz BYZNCXAAGDLHMT-VXGBXAGGSA-N 1 1 394.266 0.755 10 0 GCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264938923 530541352 /nfs/dbraw/zinc/54/13/52/530541352.db2.gz FGIWVGICSRLGCW-UONOGXRCSA-N 1 1 387.527 0.794 10 0 GCAEMO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000451228916 530575792 /nfs/dbraw/zinc/57/57/92/530575792.db2.gz QGDZSQWBWVPWRD-NSHDSACASA-N 1 1 376.397 0.200 10 0 GCAEMO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000451228916 530575794 /nfs/dbraw/zinc/57/57/94/530575794.db2.gz QGDZSQWBWVPWRD-NSHDSACASA-N 1 1 376.397 0.200 10 0 GCAEMO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000266144322 530607663 /nfs/dbraw/zinc/60/76/63/530607663.db2.gz DGYIZYPZFPMPQM-STQMWFEESA-N 1 1 375.516 0.698 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000266280742 530613968 /nfs/dbraw/zinc/61/39/68/530613968.db2.gz JDKVRLXKRBUBIG-UONOGXRCSA-N 1 1 387.527 0.842 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000266280743 530614451 /nfs/dbraw/zinc/61/44/51/530614451.db2.gz JDKVRLXKRBUBIG-ZIAGYGMSSA-N 1 1 387.527 0.842 10 0 GCAEMO C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000333306220 530656940 /nfs/dbraw/zinc/65/69/40/530656940.db2.gz IHWAQSYKPZPLME-BZUAXINKSA-N 1 1 375.535 0.964 10 0 GCAEMO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[N@@H+](CCO)CC1 ZINC000373197317 530778162 /nfs/dbraw/zinc/77/81/62/530778162.db2.gz GUSJCINCHUYPDA-UHFFFAOYSA-N 1 1 383.392 0.711 10 0 GCAEMO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[N@H+](CCO)CC1 ZINC000373197317 530778165 /nfs/dbraw/zinc/77/81/65/530778165.db2.gz GUSJCINCHUYPDA-UHFFFAOYSA-N 1 1 383.392 0.711 10 0 GCAEMO CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000618679324 530808560 /nfs/dbraw/zinc/80/85/60/530808560.db2.gz IJZZEOGISWSXBU-WCVJEAGWSA-N 1 1 375.535 0.613 10 0 GCAEMO CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000618679324 530808561 /nfs/dbraw/zinc/80/85/61/530808561.db2.gz IJZZEOGISWSXBU-WCVJEAGWSA-N 1 1 375.535 0.613 10 0 GCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)C1 ZINC000184506944 530855046 /nfs/dbraw/zinc/85/50/46/530855046.db2.gz APJHPJCAPCCJFY-KBPBESRZSA-N 1 1 387.468 0.994 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000172023283 530965068 /nfs/dbraw/zinc/96/50/68/530965068.db2.gz ATNXCZDHYDAMOI-OLZOCXBDSA-N 1 1 393.303 0.812 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000172023283 530965073 /nfs/dbraw/zinc/96/50/73/530965073.db2.gz ATNXCZDHYDAMOI-OLZOCXBDSA-N 1 1 393.303 0.812 10 0 GCAEMO CCS(=O)(=O)NCCCN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000132558007 530945587 /nfs/dbraw/zinc/94/55/87/530945587.db2.gz GPPUDESMDFNVNY-KRWDZBQOSA-N 1 1 376.567 0.043 10 0 GCAEMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261899526 530991260 /nfs/dbraw/zinc/99/12/60/530991260.db2.gz GJWNUCUFRADSDI-TZMCWYRMSA-N 1 1 380.495 0.983 10 0 GCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000253548938 530987320 /nfs/dbraw/zinc/98/73/20/530987320.db2.gz MGINGCMDLMSMOC-QWRGUYRKSA-N 1 1 385.262 0.797 10 0 GCAEMO COc1ccc(Br)c(-c2nnn(C[C@@H](O)C[NH+]3CCOCC3)n2)c1 ZINC000126739772 531034333 /nfs/dbraw/zinc/03/43/33/531034333.db2.gz VJGSMFSAAPBYCG-NSHDSACASA-N 1 1 398.261 0.804 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000262763343 531063406 /nfs/dbraw/zinc/06/34/06/531063406.db2.gz KBRDUKVKXPQQGJ-RISCZKNCSA-N 1 1 391.515 0.733 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262736659 531057854 /nfs/dbraw/zinc/05/78/54/531057854.db2.gz AKMPVLBTTXCGSF-AAEUAGOBSA-N 1 1 391.515 0.733 10 0 GCAEMO COc1ccc(Br)cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547276645 531096281 /nfs/dbraw/zinc/09/62/81/531096281.db2.gz KBPFSDOOVNNIJV-CYBMUJFWSA-N 1 1 379.276 0.803 10 0 GCAEMO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429834136 531109809 /nfs/dbraw/zinc/10/98/09/531109809.db2.gz VPUDNNPWZTYNAY-INIZCTEOSA-N 1 1 384.889 0.989 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679469460 531156539 /nfs/dbraw/zinc/15/65/39/531156539.db2.gz DYPZGWYSVJBSOV-LLVKDONJSA-N 1 1 393.307 0.384 10 0 GCAEMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1cccc(Br)c1 ZINC000184235424 531195900 /nfs/dbraw/zinc/19/59/00/531195900.db2.gz FGAMZDRTZWUPOR-AWEZNQCLSA-N 1 1 387.274 0.979 10 0 GCAEMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1cccc(Br)c1 ZINC000184235424 531195904 /nfs/dbraw/zinc/19/59/04/531195904.db2.gz FGAMZDRTZWUPOR-AWEZNQCLSA-N 1 1 387.274 0.979 10 0 GCAEMO OCCn1cnc2c1ncnc2N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000003613370 206291870 /nfs/dbraw/zinc/29/18/70/206291870.db2.gz PTWVGHOMPDNXLA-UHFFFAOYSA-N 1 1 382.424 0.870 10 0 GCAEMO COCCc1noc([C@H]2CCCN(C(=O)C3CC[NH+](CC(N)=O)CC3)C2)n1 ZINC000091872698 208141723 /nfs/dbraw/zinc/14/17/23/208141723.db2.gz YEHSKJXSMPNNSU-AWEZNQCLSA-N 1 1 379.461 0.162 10 0 GCAEMO Cc1nn2cc(CCNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3CC(C)C)nc2s1 ZINC000012316678 221181211 /nfs/dbraw/zinc/18/12/11/221181211.db2.gz RDGYFXPAONSVRZ-CQSZACIVSA-N 1 1 378.502 0.604 10 0 GCAEMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)CCC[C@H]2O)cc1 ZINC000015671930 221338629 /nfs/dbraw/zinc/33/86/29/221338629.db2.gz WZYZJYDJXDBUIT-RTBURBONSA-N 1 1 398.463 0.701 10 0 GCAEMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)CCC[C@H]2O)cc1 ZINC000015671930 221338633 /nfs/dbraw/zinc/33/86/33/221338633.db2.gz WZYZJYDJXDBUIT-RTBURBONSA-N 1 1 398.463 0.701 10 0 GCAEMO Cn1c2ccc(S(=O)(=O)NC[C@H]3CCc4[nH+]ccn4C3)cc2n(C)c1=O ZINC000275226696 570688461 /nfs/dbraw/zinc/68/84/61/570688461.db2.gz CUMGQPMEQGFMBK-GFCCVEGCSA-N 1 1 375.454 0.614 10 0 GCAEMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(C(=O)CNC(N)=O)C1)CC2 ZINC000072129038 570868254 /nfs/dbraw/zinc/86/82/54/570868254.db2.gz LPOUPLAJCQEOHS-HNNXBMFYSA-N 1 1 376.457 0.721 10 0 GCAEMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1c1cccs1 ZINC000788393158 641367310 /nfs/dbraw/zinc/36/73/10/641367310.db2.gz WIIHPJWKTGSVCW-OCCSQVGLSA-N 1 1 387.527 0.408 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3nccs3)CC2)C1 ZINC000248268599 1192238062 /nfs/dbraw/zinc/23/80/62/1192238062.db2.gz YVFIXRKAPVAFQY-MRXNPFEDSA-N 1 1 381.546 0.738 10 0 GCAEMO CCC(=O)N1CC[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000161868667 1192286783 /nfs/dbraw/zinc/28/67/83/1192286783.db2.gz IIRFIJDCUCGXIX-KRWDZBQOSA-N 1 1 378.517 0.648 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000585733618 1192399598 /nfs/dbraw/zinc/39/95/98/1192399598.db2.gz DLQXKNALNFSRQN-KRWDZBQOSA-N 1 1 380.514 0.835 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2ccncn2)CC1 ZINC000279297987 1192502344 /nfs/dbraw/zinc/50/23/44/1192502344.db2.gz LULZKMXOVIAHPS-HOTGVXAUSA-N 1 1 378.452 0.016 10 0 GCAEMO C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000163424101 1192524427 /nfs/dbraw/zinc/52/44/27/1192524427.db2.gz JCPGBUIMACCWGA-MOPGFXCFSA-N 1 1 381.565 0.766 10 0 GCAEMO C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000163424307 1192524658 /nfs/dbraw/zinc/52/46/58/1192524658.db2.gz JCPGBUIMACCWGA-RTBURBONSA-N 1 1 381.565 0.766 10 0 GCAEMO C[C@H]1Cc2cc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376642 1192572961 /nfs/dbraw/zinc/57/29/61/1192572961.db2.gz XKDUYAYCCDEMAO-KBPBESRZSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376642 1192572965 /nfs/dbraw/zinc/57/29/65/1192572965.db2.gz XKDUYAYCCDEMAO-KBPBESRZSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000549800514 1192885616 /nfs/dbraw/zinc/88/56/16/1192885616.db2.gz PVBISXFFMPPMKO-RDJZCZTQSA-N 1 1 392.463 0.982 10 0 GCAEMO Cc1cc(CN(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)no1 ZINC000549826393 1192894847 /nfs/dbraw/zinc/89/48/47/1192894847.db2.gz DPNUVSFCICMIQR-GOSISDBHSA-N 1 1 386.452 0.824 10 0 GCAEMO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000332831039 1192906247 /nfs/dbraw/zinc/90/62/47/1192906247.db2.gz RPBNXQSSMMIVQS-AEFFLSMTSA-N 1 1 394.564 0.007 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 ZINC000408440190 1192914078 /nfs/dbraw/zinc/91/40/78/1192914078.db2.gz ZCXAIVVMTIVIQN-ZIAGYGMSSA-N 1 1 381.498 0.536 10 0 GCAEMO CCN1CC[NH+](CCC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 ZINC000530582006 1184698280 /nfs/dbraw/zinc/69/82/80/1184698280.db2.gz GKGLXNHAPZUIOW-UHFFFAOYSA-N 1 1 375.521 0.219 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000510268623 1184712526 /nfs/dbraw/zinc/71/25/26/1184712526.db2.gz OAPZACVCLRUDFJ-INIZCTEOSA-N 1 1 381.498 0.368 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880150 1185223000 /nfs/dbraw/zinc/22/30/00/1185223000.db2.gz GXWXIUMWJPQCGG-HUUCEWRRSA-N 1 1 378.477 0.643 10 0 GCAEMO CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000275880150 1185223006 /nfs/dbraw/zinc/22/30/06/1185223006.db2.gz GXWXIUMWJPQCGG-HUUCEWRRSA-N 1 1 378.477 0.643 10 0 GCAEMO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)Cc1ccccc1 ZINC000581358300 1185613533 /nfs/dbraw/zinc/61/35/33/1185613533.db2.gz BFDDBPOAOAHUJQ-OAQYLSRUSA-N 1 1 386.496 0.753 10 0 GCAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000276484176 1185838146 /nfs/dbraw/zinc/83/81/46/1185838146.db2.gz OHGDYITXVISHEB-CVEARBPZSA-N 1 1 376.505 0.780 10 0 GCAEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000684426204 1185902622 /nfs/dbraw/zinc/90/26/22/1185902622.db2.gz OUZDMCMMJXMADY-UHFFFAOYSA-N 1 1 380.474 0.378 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276611797 1185930170 /nfs/dbraw/zinc/93/01/70/1185930170.db2.gz RMAHATXFERFYFH-SJORKVTESA-N 1 1 377.464 0.472 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000328889630 1186009823 /nfs/dbraw/zinc/00/98/23/1186009823.db2.gz QUECIRIBBIOZFP-HZPDHXFCSA-N 1 1 383.514 0.962 10 0 GCAEMO C[C@](O)(Cn1ccccc1=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000548388296 1186035676 /nfs/dbraw/zinc/03/56/76/1186035676.db2.gz KPXHUJQXBCVHKA-NRFANRHFSA-N 1 1 384.480 0.538 10 0 GCAEMO C[C@H]1C[C@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000158451412 1186504616 /nfs/dbraw/zinc/50/46/16/1186504616.db2.gz NTGOMFNYQWWDJB-DLBZAZTESA-N 1 1 388.516 0.847 10 0 GCAEMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158462670 1186506604 /nfs/dbraw/zinc/50/66/04/1186506604.db2.gz YJTZUJUGDGOBAD-OLZOCXBDSA-N 1 1 384.358 0.994 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000582620149 1186587359 /nfs/dbraw/zinc/58/73/59/1186587359.db2.gz NXXGHIDIZFVDBV-DZGCQCFKSA-N 1 1 381.448 0.927 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000582620151 1186587536 /nfs/dbraw/zinc/58/75/36/1186587536.db2.gz NXXGHIDIZFVDBV-UKRRQHHQSA-N 1 1 381.448 0.927 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000153150980 1186629744 /nfs/dbraw/zinc/62/97/44/1186629744.db2.gz CGRNSGHEDNDBEP-GOSISDBHSA-N 1 1 382.464 0.767 10 0 GCAEMO CNS(=O)(=O)c1cc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)co1 ZINC000153784331 1186763354 /nfs/dbraw/zinc/76/33/54/1186763354.db2.gz BZRRMSVSUNRVGO-UHFFFAOYSA-N 1 1 398.529 0.868 10 0 GCAEMO CC(=O)N[C@@](C)(C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000583085246 1186767007 /nfs/dbraw/zinc/76/70/07/1186767007.db2.gz WHXASIHBLQVRIF-QZTJIDSGSA-N 1 1 399.488 0.601 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 ZINC000154251979 1186787548 /nfs/dbraw/zinc/78/75/48/1186787548.db2.gz LWKSILOGWABIRN-UHFFFAOYSA-N 1 1 389.500 0.793 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000154387853 1186789701 /nfs/dbraw/zinc/78/97/01/1186789701.db2.gz KZQBRVHPKWOISH-LLVKDONJSA-N 1 1 376.383 0.933 10 0 GCAEMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000458431301 1186796262 /nfs/dbraw/zinc/79/62/62/1186796262.db2.gz NDXOUSVTZDLQGW-KRWDZBQOSA-N 1 1 379.549 0.962 10 0 GCAEMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000157021328 1186894657 /nfs/dbraw/zinc/89/46/57/1186894657.db2.gz GGHGWDWQBWYWKL-QWHCGFSZSA-N 1 1 380.411 0.950 10 0 GCAEMO CCOC(=O)c1csc(CCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000458692700 1186946517 /nfs/dbraw/zinc/94/65/17/1186946517.db2.gz QCEWOFAWYXHSDE-BETUJISGSA-N 1 1 384.502 0.959 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592848 1186969636 /nfs/dbraw/zinc/96/96/36/1186969636.db2.gz ULUPXMDDYYHYEK-CEXWTWQISA-N 1 1 394.560 0.888 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592849 1186969728 /nfs/dbraw/zinc/96/97/28/1186969728.db2.gz ULUPXMDDYYHYEK-FHWLQOOXSA-N 1 1 394.560 0.888 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@@H+]1C ZINC000329727765 1187019793 /nfs/dbraw/zinc/01/97/93/1187019793.db2.gz OWONGBVPXXAGLA-DGCLKSJQSA-N 1 1 390.469 0.653 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC[N@H+]1C ZINC000329727765 1187019799 /nfs/dbraw/zinc/01/97/99/1187019799.db2.gz OWONGBVPXXAGLA-DGCLKSJQSA-N 1 1 390.469 0.653 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584403647 1187052112 /nfs/dbraw/zinc/05/21/12/1187052112.db2.gz LYRYATYWKPKWMO-YHUYYLMFSA-N 1 1 398.504 0.385 10 0 GCAEMO CS(=O)(=O)NCC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000376115038 1187613325 /nfs/dbraw/zinc/61/33/25/1187613325.db2.gz MZCKMIRKUCGKDB-QGZVFWFLSA-N 1 1 380.514 0.834 10 0 GCAEMO CS(=O)(=O)NCC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000376115038 1187613332 /nfs/dbraw/zinc/61/33/32/1187613332.db2.gz MZCKMIRKUCGKDB-QGZVFWFLSA-N 1 1 380.514 0.834 10 0 GCAEMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000658902373 1187747561 /nfs/dbraw/zinc/74/75/61/1187747561.db2.gz VBNHFABDIHCCJP-GOSISDBHSA-N 1 1 388.468 0.665 10 0 GCAEMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC000332889122 1187804733 /nfs/dbraw/zinc/80/47/33/1187804733.db2.gz MGCGWIJTXURKEM-WRQOLXDDSA-N 1 1 399.557 0.695 10 0 GCAEMO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cn1C ZINC000408100363 1189789637 /nfs/dbraw/zinc/78/96/37/1189789637.db2.gz RNWBZLJYXSNOQJ-UHFFFAOYSA-N 1 1 384.502 0.212 10 0 GCAEMO c1ccc(Cn2c([C@@H]3COCCO3)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)cc1 ZINC000549515543 1189871982 /nfs/dbraw/zinc/87/19/82/1189871982.db2.gz MBPQMMFZHIYCCM-ROUUACIJSA-N 1 1 385.468 0.935 10 0 GCAEMO c1ccc(Cn2c([C@@H]3COCCO3)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)cc1 ZINC000549515543 1189871987 /nfs/dbraw/zinc/87/19/87/1189871987.db2.gz MBPQMMFZHIYCCM-ROUUACIJSA-N 1 1 385.468 0.935 10 0 GCAEMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249585499 1193772811 /nfs/dbraw/zinc/77/28/11/1193772811.db2.gz SUSHTLJXYKJCQW-DLBZAZTESA-N 1 1 376.501 0.849 10 0 GCAEMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249585499 1193772816 /nfs/dbraw/zinc/77/28/16/1193772816.db2.gz SUSHTLJXYKJCQW-DLBZAZTESA-N 1 1 376.501 0.849 10 0 GCAEMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](C)O)cc1 ZINC000272528552 1194469039 /nfs/dbraw/zinc/46/90/39/1194469039.db2.gz WNZUMSNYOQSJCB-PBHICJAKSA-N 1 1 381.498 0.329 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000504447228 1194794511 /nfs/dbraw/zinc/79/45/11/1194794511.db2.gz ZIAWXKXWUWVPQZ-INIZCTEOSA-N 1 1 379.482 0.575 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000261911335 1194833523 /nfs/dbraw/zinc/83/35/23/1194833523.db2.gz HOGYXAVXYABASL-OAHLLOKOSA-N 1 1 395.419 0.829 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434554480 1194850453 /nfs/dbraw/zinc/85/04/53/1194850453.db2.gz CNCIOOZXPSPBMW-OAHLLOKOSA-N 1 1 394.497 0.666 10 0 GCAEMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000434799459 1194870267 /nfs/dbraw/zinc/87/02/67/1194870267.db2.gz SSXRQALSLGQLGJ-KDOFPFPSSA-N 1 1 376.413 0.059 10 0 GCAEMO Cc1noc(CN2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)n1 ZINC000434833725 1194873244 /nfs/dbraw/zinc/87/32/44/1194873244.db2.gz YHWLIJSUUFWNET-UHFFFAOYSA-N 1 1 378.355 0.274 10 0 GCAEMO CN(C)c1nc(N2CCN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc[nH+]1 ZINC000435069376 1194886559 /nfs/dbraw/zinc/88/65/59/1194886559.db2.gz YLFQJXSDWWFKCJ-OAHLLOKOSA-N 1 1 384.488 0.594 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000437272210 1195089604 /nfs/dbraw/zinc/08/96/04/1195089604.db2.gz IMHWNZPBINORHN-ZDUSSCGKSA-N 1 1 382.486 0.333 10 0 GCAEMO CC(=O)N1CCN(CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000517824397 1195220935 /nfs/dbraw/zinc/22/09/35/1195220935.db2.gz RSUQNRYENPUAFA-UHFFFAOYSA-N 1 1 387.528 0.085 10 0 GCAEMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2nc3ccccc3oc2=O)C1 ZINC000517851462 1195224473 /nfs/dbraw/zinc/22/44/73/1195224473.db2.gz RBPPCUFDICPBLH-CQSZACIVSA-N 1 1 386.452 0.824 10 0 GCAEMO CCNC(=O)CC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506642890 1195339970 /nfs/dbraw/zinc/33/99/70/1195339970.db2.gz MYBWYBAYUXTLNF-MRXNPFEDSA-N 1 1 376.505 0.368 10 0 GCAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439846186 1195358435 /nfs/dbraw/zinc/35/84/35/1195358435.db2.gz PCCAYQICWZOWMF-OAHLLOKOSA-N 1 1 387.484 0.504 10 0 GCAEMO C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000440029060 1195378340 /nfs/dbraw/zinc/37/83/40/1195378340.db2.gz QLEKBXYDVFXZOG-OAHLLOKOSA-N 1 1 396.875 0.440 10 0 GCAEMO C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000440029059 1195378564 /nfs/dbraw/zinc/37/85/64/1195378564.db2.gz QLEKBXYDVFXZOG-HNNXBMFYSA-N 1 1 396.875 0.440 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000550027119 1195393899 /nfs/dbraw/zinc/39/38/99/1195393899.db2.gz HNSNEYRCISTNQO-GVDBMIGSSA-N 1 1 377.489 0.872 10 0 GCAEMO C([C@H]1CCCCO1)n1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000550027119 1195393903 /nfs/dbraw/zinc/39/39/03/1195393903.db2.gz HNSNEYRCISTNQO-GVDBMIGSSA-N 1 1 377.489 0.872 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000440273211 1195400112 /nfs/dbraw/zinc/40/01/12/1195400112.db2.gz ONHQPPHRSVCLKI-UHFFFAOYSA-N 1 1 388.516 0.716 10 0 GCAEMO C[C@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC[N@@H+]1CCO ZINC000187692582 1195420015 /nfs/dbraw/zinc/42/00/15/1195420015.db2.gz VQFKQJVFAMOZIG-AWEZNQCLSA-N 1 1 382.892 0.735 10 0 GCAEMO C[C@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC[N@H+]1CCO ZINC000187692582 1195420017 /nfs/dbraw/zinc/42/00/17/1195420017.db2.gz VQFKQJVFAMOZIG-AWEZNQCLSA-N 1 1 382.892 0.735 10 0 GCAEMO COC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000550095868 1195435759 /nfs/dbraw/zinc/43/57/59/1195435759.db2.gz IDFFELFCOIESID-ROUUACIJSA-N 1 1 377.485 0.963 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000519680199 1195562423 /nfs/dbraw/zinc/56/24/23/1195562423.db2.gz LFJRJBFWLFQKSC-AUSJPIAWSA-N 1 1 391.468 0.196 10 0 GCAEMO CC(C)CCO[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000083248076 1195571699 /nfs/dbraw/zinc/57/16/99/1195571699.db2.gz YPOBIFCJPMURIA-OAHLLOKOSA-N 1 1 377.489 0.961 10 0 GCAEMO COc1c(F)cc(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1S(N)(=O)=O ZINC000440925116 1195589682 /nfs/dbraw/zinc/58/96/82/1195589682.db2.gz LAYYNIKTHLQLKZ-CMPLNLGQSA-N 1 1 385.461 0.766 10 0 GCAEMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+](C)CCCO ZINC000440964106 1195591409 /nfs/dbraw/zinc/59/14/09/1195591409.db2.gz XDKJCYYIJRTWMH-UHFFFAOYSA-N 1 1 396.513 0.891 10 0 GCAEMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+](C)CCCO ZINC000440964106 1195591412 /nfs/dbraw/zinc/59/14/12/1195591412.db2.gz XDKJCYYIJRTWMH-UHFFFAOYSA-N 1 1 396.513 0.891 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000441011202 1195596693 /nfs/dbraw/zinc/59/66/93/1195596693.db2.gz OLUHEJIUYPOZMP-IUODEOHRSA-N 1 1 382.486 0.332 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000328769131 1195664376 /nfs/dbraw/zinc/66/43/76/1195664376.db2.gz GIVRCNPBNXESFP-KURKYZTESA-N 1 1 390.528 0.790 10 0 GCAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000328779187 1195667158 /nfs/dbraw/zinc/66/71/58/1195667158.db2.gz MAWQTGWRHWHHSR-QGZVFWFLSA-N 1 1 393.532 0.537 10 0 GCAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000328965783 1195682900 /nfs/dbraw/zinc/68/29/00/1195682900.db2.gz MOEBGHYFQLDWRA-INIZCTEOSA-N 1 1 381.498 0.922 10 0 GCAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000328965783 1195682905 /nfs/dbraw/zinc/68/29/05/1195682905.db2.gz MOEBGHYFQLDWRA-INIZCTEOSA-N 1 1 381.498 0.922 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125447336 1195703359 /nfs/dbraw/zinc/70/33/59/1195703359.db2.gz IWIPHGLAWJJMGF-CVEARBPZSA-N 1 1 388.578 0.579 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125446922 1195703382 /nfs/dbraw/zinc/70/33/82/1195703382.db2.gz IWIPHGLAWJJMGF-HOTGVXAUSA-N 1 1 388.578 0.579 10 0 GCAEMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188720110 1195737260 /nfs/dbraw/zinc/73/72/60/1195737260.db2.gz UAMSBWWFBKLSGL-CXAGYDPISA-N 1 1 376.436 0.429 10 0 GCAEMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188720110 1195737262 /nfs/dbraw/zinc/73/72/62/1195737262.db2.gz UAMSBWWFBKLSGL-CXAGYDPISA-N 1 1 376.436 0.429 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000441492488 1195763378 /nfs/dbraw/zinc/76/33/78/1195763378.db2.gz QXZBYPBTTYWBCI-BBRMVZONSA-N 1 1 394.497 0.476 10 0 GCAEMO CCOCC[NH+]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000441882119 1195928342 /nfs/dbraw/zinc/92/83/42/1195928342.db2.gz JSCXPQNTRYFPDY-UHFFFAOYSA-N 1 1 387.477 0.822 10 0 GCAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000442698012 1195999381 /nfs/dbraw/zinc/99/93/81/1195999381.db2.gz BSUVXIFWNLFHJO-AWEZNQCLSA-N 1 1 396.513 0.724 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443116635 1196020959 /nfs/dbraw/zinc/02/09/59/1196020959.db2.gz CNKOKCVKHOZFHS-UHFFFAOYSA-N 1 1 389.500 0.750 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2nnc3n2CCCC3)CC1=O ZINC000166312983 1196061644 /nfs/dbraw/zinc/06/16/44/1196061644.db2.gz FUKUIFYIABANGH-HZPDHXFCSA-N 1 1 388.516 0.606 10 0 GCAEMO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000051382418 1196081077 /nfs/dbraw/zinc/08/10/77/1196081077.db2.gz ZDJUPURVRDERCF-APWZRJJASA-N 1 1 394.491 0.463 10 0 GCAEMO C[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)CN1CC[NH+](C)CC1 ZINC000114379715 1196097309 /nfs/dbraw/zinc/09/73/09/1196097309.db2.gz OMOWPLKVJFQRBC-CYBMUJFWSA-N 1 1 377.880 0.929 10 0 GCAEMO Cn1ncc2c1ncn(CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c2=O ZINC000114642740 1196107376 /nfs/dbraw/zinc/10/73/76/1196107376.db2.gz BCNPRIPSWVQHCA-INIZCTEOSA-N 1 1 380.452 0.911 10 0 GCAEMO NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000329414227 1196193376 /nfs/dbraw/zinc/19/33/76/1196193376.db2.gz YTIFNBMTEPLTMJ-QGZVFWFLSA-N 1 1 396.513 0.846 10 0 GCAEMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000329700774 1196223810 /nfs/dbraw/zinc/22/38/10/1196223810.db2.gz GZZFZKVMAIHSQJ-QGZVFWFLSA-N 1 1 386.500 0.460 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H](C)C1 ZINC000329703093 1196224429 /nfs/dbraw/zinc/22/44/29/1196224429.db2.gz IDHDYBPJQNGPLB-WCVJEAGWSA-N 1 1 385.530 0.211 10 0 GCAEMO COCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000522985966 1196372787 /nfs/dbraw/zinc/37/27/87/1196372787.db2.gz XAELEIFIQCSTCD-ZDUSSCGKSA-N 1 1 380.411 0.950 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000444382766 1196453206 /nfs/dbraw/zinc/45/32/06/1196453206.db2.gz GSWWWYDYLVSVIY-MRXNPFEDSA-N 1 1 395.525 0.612 10 0 GCAEMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000043818814 1196492447 /nfs/dbraw/zinc/49/24/47/1196492447.db2.gz XVZKEKFWBPQWDW-HNNXBMFYSA-N 1 1 385.472 0.792 10 0 GCAEMO C[N@H+](CCN1CCOCC1)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000114464532 1196495082 /nfs/dbraw/zinc/49/50/82/1196495082.db2.gz HBVNVZQEHCOULZ-UHFFFAOYSA-N 1 1 380.514 0.297 10 0 GCAEMO C[N@@H+](CCN1CCOCC1)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000114464532 1196495086 /nfs/dbraw/zinc/49/50/86/1196495086.db2.gz HBVNVZQEHCOULZ-UHFFFAOYSA-N 1 1 380.514 0.297 10 0 GCAEMO CCC(=O)N[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915956 1196566619 /nfs/dbraw/zinc/56/66/19/1196566619.db2.gz NAUCOAVHNOERMH-CVEARBPZSA-N 1 1 381.521 0.629 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc[nH+]1 ZINC000524978422 1196641660 /nfs/dbraw/zinc/64/16/60/1196641660.db2.gz PNFWDUHYQKALBI-UHFFFAOYSA-N 1 1 384.440 0.369 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000525611929 1196694801 /nfs/dbraw/zinc/69/48/01/1196694801.db2.gz VXFWEPLDMGZNOF-FZMZJTMJSA-N 1 1 387.477 0.823 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CCc3ccc(C(N)=O)cc3)CC2)cc[nH+]1 ZINC000449916366 1196905318 /nfs/dbraw/zinc/90/53/18/1196905318.db2.gz BBQMXIKFVCOSFU-UHFFFAOYSA-N 1 1 382.468 0.923 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC12COC2 ZINC000451138903 1196972905 /nfs/dbraw/zinc/97/29/05/1196972905.db2.gz RGTMGDJXGHBMDO-GJZGRUSLSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC12COC2 ZINC000451138903 1196972907 /nfs/dbraw/zinc/97/29/07/1196972907.db2.gz RGTMGDJXGHBMDO-GJZGRUSLSA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC12COC2 ZINC000451124176 1196973548 /nfs/dbraw/zinc/97/35/48/1196973548.db2.gz HBENCOWEBJAFGV-LSDHHAIUSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC12COC2 ZINC000451124176 1196973551 /nfs/dbraw/zinc/97/35/51/1196973551.db2.gz HBENCOWEBJAFGV-LSDHHAIUSA-N 1 1 382.457 0.442 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451124337 1196973558 /nfs/dbraw/zinc/97/35/58/1196973558.db2.gz HWJORWYUOPAUHX-DOTOQJQBSA-N 1 1 393.436 0.724 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451124350 1196973636 /nfs/dbraw/zinc/97/36/36/1196973636.db2.gz HWJORWYUOPAUHX-NVXWUHKLSA-N 1 1 393.436 0.724 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451131927 1196973935 /nfs/dbraw/zinc/97/39/35/1196973935.db2.gz HUWVULUHIOVZID-HNNXBMFYSA-N 1 1 375.425 0.524 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451131927 1196973937 /nfs/dbraw/zinc/97/39/37/1196973937.db2.gz HUWVULUHIOVZID-HNNXBMFYSA-N 1 1 375.425 0.524 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccccc2COC)CC12COC2 ZINC000451130953 1196974055 /nfs/dbraw/zinc/97/40/55/1196974055.db2.gz GIZYXBUUZSEAIO-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccccc2COC)CC12COC2 ZINC000451130953 1196974057 /nfs/dbraw/zinc/97/40/57/1196974057.db2.gz GIZYXBUUZSEAIO-QGZVFWFLSA-N 1 1 376.453 0.961 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC12COC2 ZINC000451145370 1196975038 /nfs/dbraw/zinc/97/50/38/1196975038.db2.gz YWMVENXYUDWIIG-ZFWWWQNUSA-N 1 1 382.457 0.298 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137079 1196975065 /nfs/dbraw/zinc/97/50/65/1196975065.db2.gz OJWLJXFANRSEMB-ZJUUUORDSA-N 1 1 381.351 0.275 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137079 1196975067 /nfs/dbraw/zinc/97/50/67/1196975067.db2.gz OJWLJXFANRSEMB-ZJUUUORDSA-N 1 1 381.351 0.275 10 0 GCAEMO O=C(COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1)NC1CC1 ZINC000451229897 1196981915 /nfs/dbraw/zinc/98/19/15/1196981915.db2.gz SGAVJTDUCPXHQA-UHFFFAOYSA-N 1 1 397.497 0.033 10 0 GCAEMO O=C(COc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1)NC1CC1 ZINC000451229897 1196981918 /nfs/dbraw/zinc/98/19/18/1196981918.db2.gz SGAVJTDUCPXHQA-UHFFFAOYSA-N 1 1 397.497 0.033 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc[nH+]1 ZINC000530665673 1197003606 /nfs/dbraw/zinc/00/36/06/1197003606.db2.gz LLDIJIBDXYBNOS-UHFFFAOYSA-N 1 1 395.423 0.780 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000475672303 1197014935 /nfs/dbraw/zinc/01/49/35/1197014935.db2.gz DIEZYTGUAPKNDT-CQSZACIVSA-N 1 1 396.513 0.627 10 0 GCAEMO CC(=O)N1CC[C@@](C)(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531327814 1197066929 /nfs/dbraw/zinc/06/69/29/1197066929.db2.gz SPAXJNPXWQXAQW-HXUWFJFHSA-N 1 1 378.517 0.648 10 0 GCAEMO CC(=O)N1CC[C@](C)(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531327813 1197067000 /nfs/dbraw/zinc/06/70/00/1197067000.db2.gz SPAXJNPXWQXAQW-FQEVSTJZSA-N 1 1 378.517 0.648 10 0 GCAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000531416871 1197074470 /nfs/dbraw/zinc/07/44/70/1197074470.db2.gz WFYSJAMTWMLGKZ-IXDOHACOSA-N 1 1 398.504 0.841 10 0 GCAEMO CN(Cc1nnnn1C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531555744 1197083206 /nfs/dbraw/zinc/08/32/06/1197083206.db2.gz JIHWYVYPVFWHGZ-CYBMUJFWSA-N 1 1 378.506 0.402 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000453766535 1197129496 /nfs/dbraw/zinc/12/94/96/1197129496.db2.gz GMRRSMKCGLVRLD-CYBMUJFWSA-N 1 1 394.497 0.476 10 0 GCAEMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC12COC2 ZINC000453804221 1197137995 /nfs/dbraw/zinc/13/79/95/1197137995.db2.gz PQJWWQKORCCAMD-AWEZNQCLSA-N 1 1 386.408 0.619 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000172199343 1197159127 /nfs/dbraw/zinc/15/91/27/1197159127.db2.gz RYMUMJDKUYSWCO-CQSZACIVSA-N 1 1 394.422 0.598 10 0 GCAEMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)N1CCN(c2cnccn2)CC1 ZINC000171972254 1197159157 /nfs/dbraw/zinc/15/91/57/1197159157.db2.gz HYCZBLBWOSQIGV-GOSISDBHSA-N 1 1 388.516 0.312 10 0 GCAEMO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000172243279 1197159764 /nfs/dbraw/zinc/15/97/64/1197159764.db2.gz HCPLHUSIPJRUEF-KRWDZBQOSA-N 1 1 380.533 0.546 10 0 GCAEMO Cn1cc(N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC000173672433 1197178422 /nfs/dbraw/zinc/17/84/22/1197178422.db2.gz RETKNQJUGXNKHI-UHFFFAOYSA-N 1 1 382.512 0.887 10 0 GCAEMO Cc1nsc(N2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC000174995217 1197182534 /nfs/dbraw/zinc/18/25/34/1197182534.db2.gz WSJNUYQHHGRHTJ-INIZCTEOSA-N 1 1 396.561 0.442 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cnn(C)c3)CC2)C1 ZINC000174936948 1197182799 /nfs/dbraw/zinc/18/27/99/1197182799.db2.gz JGBOYVWIAMKUEG-GOSISDBHSA-N 1 1 378.521 0.015 10 0 GCAEMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cn1C ZINC000175049194 1197183018 /nfs/dbraw/zinc/18/30/18/1197183018.db2.gz IICXCHCJOKKWAA-CVEARBPZSA-N 1 1 397.545 0.871 10 0 GCAEMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000177174035 1197188866 /nfs/dbraw/zinc/18/88/66/1197188866.db2.gz RKOTUTZNASQMCE-CVEARBPZSA-N 1 1 397.545 0.466 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)CC1 ZINC000184753457 1197213333 /nfs/dbraw/zinc/21/33/33/1197213333.db2.gz YHHVTJPJUNGREL-MRXNPFEDSA-N 1 1 376.505 0.557 10 0 GCAEMO CN1CCC(CNC(=O)NCCN2CCCOCC2)([NH+]2CCCCC2)CC1 ZINC000187219833 1197230470 /nfs/dbraw/zinc/23/04/70/1197230470.db2.gz ATQMJZOGBKVKQG-UHFFFAOYSA-N 1 1 381.565 0.958 10 0 GCAEMO C[NH+]1CCC(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)(N2CCCCC2)CC1 ZINC000188283509 1197233337 /nfs/dbraw/zinc/23/33/37/1197233337.db2.gz UPFFAXBAZQESAD-UHFFFAOYSA-N 1 1 384.484 0.998 10 0 GCAEMO COCCN1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1=O ZINC000189058703 1197234906 /nfs/dbraw/zinc/23/49/06/1197234906.db2.gz GIIRFSFSZGTYCN-FQEVSTJZSA-N 1 1 388.512 0.682 10 0 GCAEMO COCCN1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000189305100 1197236202 /nfs/dbraw/zinc/23/62/02/1197236202.db2.gz XQHOUMIPSGQZAI-UHFFFAOYSA-N 1 1 388.512 0.512 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000190198188 1197240423 /nfs/dbraw/zinc/24/04/23/1197240423.db2.gz UPXDVNBTMWISFN-UHFFFAOYSA-N 1 1 389.504 0.283 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192790911 1197248626 /nfs/dbraw/zinc/24/86/26/1197248626.db2.gz MPZRDBYZTXCTLN-IAGOWNOFSA-N 1 1 380.514 0.842 10 0 GCAEMO C(=C/C[NH+]1CCN(c2cccnn2)CC1)\CN1CCN(c2cccnn2)CC1 ZINC000170649060 1197254600 /nfs/dbraw/zinc/25/46/00/1197254600.db2.gz HBVUVHPNGXEJJE-OWOJBTEDSA-N 1 1 380.500 0.767 10 0 GCAEMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC000454082194 1197320498 /nfs/dbraw/zinc/32/04/98/1197320498.db2.gz CTEFVMBZXKTJLH-GFCCVEGCSA-N 1 1 376.432 0.991 10 0 GCAEMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC000454082195 1197320784 /nfs/dbraw/zinc/32/07/84/1197320784.db2.gz CTEFVMBZXKTJLH-LBPRGKRZSA-N 1 1 376.432 0.991 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1S(N)(=O)=O ZINC000532527812 1197320875 /nfs/dbraw/zinc/32/08/75/1197320875.db2.gz HZQFLWDFBYBSTP-UKRRQHHQSA-N 1 1 399.488 0.967 10 0 GCAEMO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(=O)[nH]c1=O ZINC000114493681 1197336730 /nfs/dbraw/zinc/33/67/30/1197336730.db2.gz MOEHIZJVYYMPHW-LJQANCHMSA-N 1 1 376.457 0.770 10 0 GCAEMO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(=O)[nH]c1=O ZINC000114493681 1197336736 /nfs/dbraw/zinc/33/67/36/1197336736.db2.gz MOEHIZJVYYMPHW-LJQANCHMSA-N 1 1 376.457 0.770 10 0 GCAEMO CCC(=O)N1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000128000932 1197362809 /nfs/dbraw/zinc/36/28/09/1197362809.db2.gz VGSPJSUZJPWWEU-XNHLSEOASA-N 1 1 377.533 0.950 10 0 GCAEMO Cc1ccn(-c2ccccc2NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)n1 ZINC000130374223 1197371728 /nfs/dbraw/zinc/37/17/28/1197371728.db2.gz TVXBMQYXOCKDOO-UHFFFAOYSA-N 1 1 384.484 0.873 10 0 GCAEMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000130933383 1197374844 /nfs/dbraw/zinc/37/48/44/1197374844.db2.gz ZJIZQKCTUKYWFZ-QGZVFWFLSA-N 1 1 386.562 0.288 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@H]1CCCc3c1cnn3C)c(=O)n2C ZINC000135575532 1197387616 /nfs/dbraw/zinc/38/76/16/1197387616.db2.gz XZNZWCFVZBKGEB-AWEZNQCLSA-N 1 1 385.472 0.567 10 0 GCAEMO CC[N@@H+]1CCc2nc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)sc2C1 ZINC000054189600 1197389003 /nfs/dbraw/zinc/38/90/03/1197389003.db2.gz YJESCVUTLBIIHR-AATRIKPKSA-N 1 1 375.454 0.570 10 0 GCAEMO CC[N@H+]1CCc2nc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)sc2C1 ZINC000054189600 1197389004 /nfs/dbraw/zinc/38/90/04/1197389004.db2.gz YJESCVUTLBIIHR-AATRIKPKSA-N 1 1 375.454 0.570 10 0 GCAEMO O=C(CN1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699386 1197390893 /nfs/dbraw/zinc/39/08/93/1197390893.db2.gz KUWSPUYFBQGKSF-RTBURBONSA-N 1 1 383.533 0.609 10 0 GCAEMO COCc1nc2n(n1)C[C@@H](NC(=O)CN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000137887837 1197393007 /nfs/dbraw/zinc/39/30/07/1197393007.db2.gz YBDGKTUCZMJETM-SFHVURJKSA-N 1 1 398.511 0.673 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000056983490 1197393032 /nfs/dbraw/zinc/39/30/32/1197393032.db2.gz FXSFNDYMMHVJOW-INIZCTEOSA-N 1 1 392.525 0.562 10 0 GCAEMO COc1cccc(CNC(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000532731299 1197406455 /nfs/dbraw/zinc/40/64/55/1197406455.db2.gz DBQYNKWWPYOKQL-UHFFFAOYSA-N 1 1 384.484 0.990 10 0 GCAEMO CN(C)c1nc(N2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc[nH+]1 ZINC000532731009 1197406538 /nfs/dbraw/zinc/40/65/38/1197406538.db2.gz WKFOONOYFCENOL-UHFFFAOYSA-N 1 1 387.488 0.529 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000065728057 1197437363 /nfs/dbraw/zinc/43/73/63/1197437363.db2.gz LEGCVFPTYUOMHC-UHFFFAOYSA-N 1 1 390.403 0.895 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1=O ZINC000245896841 1197437396 /nfs/dbraw/zinc/43/73/96/1197437396.db2.gz PJLMVUDCULMETJ-PBHICJAKSA-N 1 1 376.844 0.762 10 0 GCAEMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1=O ZINC000245896841 1197437397 /nfs/dbraw/zinc/43/73/97/1197437397.db2.gz PJLMVUDCULMETJ-PBHICJAKSA-N 1 1 376.844 0.762 10 0 GCAEMO Cc1cc(=O)n2nc(CN3CCN(c4cc[nH+]c(N(C)C)n4)CC3)sc2n1 ZINC000533395418 1197449620 /nfs/dbraw/zinc/44/96/20/1197449620.db2.gz UQQUISDQOOVHOH-UHFFFAOYSA-N 1 1 386.485 0.638 10 0 GCAEMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533394483 1197449630 /nfs/dbraw/zinc/44/96/30/1197449630.db2.gz XCSVUMSKFKDYKC-CQSZACIVSA-N 1 1 397.483 0.791 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)cc[nH+]1 ZINC000533530613 1197456099 /nfs/dbraw/zinc/45/60/99/1197456099.db2.gz WHMLQYUNNHJWKL-UHFFFAOYSA-N 1 1 397.483 0.691 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(CCOC)nn2C)CC1=O ZINC000246258337 1197458750 /nfs/dbraw/zinc/45/87/50/1197458750.db2.gz JBUGUOZVKTWMGW-HOCLYGCPSA-N 1 1 377.489 0.880 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCCN2CCOCC2)CC1=O ZINC000246558919 1197472813 /nfs/dbraw/zinc/47/28/13/1197472813.db2.gz YYOPPUHTZFNSSH-ZWKOTPCHSA-N 1 1 380.533 0.548 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCCN2CCOCC2)CC1=O ZINC000246558919 1197472815 /nfs/dbraw/zinc/47/28/15/1197472815.db2.gz YYOPPUHTZFNSSH-ZWKOTPCHSA-N 1 1 380.533 0.548 10 0 GCAEMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000247517554 1197476788 /nfs/dbraw/zinc/47/67/88/1197476788.db2.gz NBYVUMSLHAHNHW-HZPDHXFCSA-N 1 1 375.473 0.405 10 0 GCAEMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000247517554 1197476789 /nfs/dbraw/zinc/47/67/89/1197476789.db2.gz NBYVUMSLHAHNHW-HZPDHXFCSA-N 1 1 375.473 0.405 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249396061 1197481838 /nfs/dbraw/zinc/48/18/38/1197481838.db2.gz RQLYAONEXSFABV-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249396061 1197481842 /nfs/dbraw/zinc/48/18/42/1197481842.db2.gz RQLYAONEXSFABV-ROUUACIJSA-N 1 1 384.565 0.236 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2nnc3n2CCCC3)CC1=O ZINC000251504148 1197490230 /nfs/dbraw/zinc/49/02/30/1197490230.db2.gz FUKUIFYIABANGH-JKSUJKDBSA-N 1 1 388.516 0.606 10 0 GCAEMO O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261651792 1197510333 /nfs/dbraw/zinc/51/03/33/1197510333.db2.gz AOOOWYKJPFDMRF-INDMIFKZSA-N 1 1 392.544 0.737 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000261945591 1197519814 /nfs/dbraw/zinc/51/98/14/1197519814.db2.gz KZRLOJBRFAKXMP-MRXNPFEDSA-N 1 1 381.498 0.840 10 0 GCAEMO CCOCCS(=O)(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261943593 1197519993 /nfs/dbraw/zinc/51/99/93/1197519993.db2.gz KUFWZAWGCSKIBS-HNNXBMFYSA-N 1 1 385.486 0.124 10 0 GCAEMO CCOCCS(=O)(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261943594 1197520011 /nfs/dbraw/zinc/52/00/11/1197520011.db2.gz KUFWZAWGCSKIBS-OAHLLOKOSA-N 1 1 385.486 0.124 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000261961453 1197520544 /nfs/dbraw/zinc/52/05/44/1197520544.db2.gz MMYMHDWZMNLBEZ-HNNXBMFYSA-N 1 1 382.486 0.084 10 0 GCAEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993685 1198960511 /nfs/dbraw/zinc/96/05/11/1198960511.db2.gz LJQGIMIBUOCENJ-IRXDYDNUSA-N 1 1 378.517 0.981 10 0 GCAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993685 1198960513 /nfs/dbraw/zinc/96/05/13/1198960513.db2.gz LJQGIMIBUOCENJ-IRXDYDNUSA-N 1 1 378.517 0.981 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CCN3CCOC[C@@H]3C2)c2cccs2)CC1 ZINC000542730718 1199019808 /nfs/dbraw/zinc/01/98/08/1199019808.db2.gz WGISWTJVAHEQHX-DLBZAZTESA-N 1 1 393.557 0.763 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000624764761 1199070433 /nfs/dbraw/zinc/07/04/33/1199070433.db2.gz KDZBFSUQPGDZSV-MRXNPFEDSA-N 1 1 396.532 0.509 10 0 GCAEMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000172600335 1199089268 /nfs/dbraw/zinc/08/92/68/1199089268.db2.gz XJVXCYNTJNMQPR-IYBDPMFKSA-N 1 1 394.541 0.965 10 0 GCAEMO Cc1cc(C)c(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(=O)[nH]1 ZINC000268928605 1199095385 /nfs/dbraw/zinc/09/53/85/1199095385.db2.gz XNNZABUVGPIHOB-INIZCTEOSA-N 1 1 375.473 0.852 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC[N@H+]1C ZINC000172615299 1199101570 /nfs/dbraw/zinc/10/15/70/1199101570.db2.gz MOSXUOQEHCVYEN-AEFFLSMTSA-N 1 1 384.480 0.999 10 0 GCAEMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000542884157 1199136170 /nfs/dbraw/zinc/13/61/70/1199136170.db2.gz UAHFHKJTKRSINL-RCCFBDPRSA-N 1 1 390.546 0.869 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000672311628 1199205136 /nfs/dbraw/zinc/20/51/36/1199205136.db2.gz MHCNCZAFCAIQFY-MSOLQXFVSA-N 1 1 384.480 0.677 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000672419397 1199232038 /nfs/dbraw/zinc/23/20/38/1199232038.db2.gz WVYXTSLPVADHCQ-BZUAXINKSA-N 1 1 388.516 0.918 10 0 GCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000672597370 1199277630 /nfs/dbraw/zinc/27/76/30/1199277630.db2.gz HBVVRAOMRKIFCS-UTKZUKDTSA-N 1 1 386.496 0.397 10 0 GCAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000672597902 1199280179 /nfs/dbraw/zinc/28/01/79/1199280179.db2.gz GFLZDELBUXYRHM-KBPBESRZSA-N 1 1 390.450 0.930 10 0 GCAEMO CN(C)C(=O)[C@H]1CSCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066648168 1199428672 /nfs/dbraw/zinc/42/86/72/1199428672.db2.gz KUVQZEYIPXILLK-QGZVFWFLSA-N 1 1 376.526 0.794 10 0 GCAEMO CC(C)C(=O)N1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000673123239 1199430680 /nfs/dbraw/zinc/43/06/80/1199430680.db2.gz UKVUGZFUUKUIMV-ALOPSCKCSA-N 1 1 378.517 0.835 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000466140607 1199494668 /nfs/dbraw/zinc/49/46/68/1199494668.db2.gz MMBSKICJUKRTDD-AWEZNQCLSA-N 1 1 383.518 0.600 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000466140609 1199494726 /nfs/dbraw/zinc/49/47/26/1199494726.db2.gz MMBSKICJUKRTDD-CQSZACIVSA-N 1 1 383.518 0.600 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)cc[nH+]1 ZINC000466427427 1199683992 /nfs/dbraw/zinc/68/39/92/1199683992.db2.gz ZHJNCAVQJLLKNI-UHFFFAOYSA-N 1 1 381.387 0.840 10 0 GCAEMO O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673525228 1199730963 /nfs/dbraw/zinc/73/09/63/1199730963.db2.gz WQYTUHJVLMLJRK-SJORKVTESA-N 1 1 376.501 0.733 10 0 GCAEMO C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000158355575 1199755086 /nfs/dbraw/zinc/75/50/86/1199755086.db2.gz PUSJMKGMFKRGGI-UHFFFAOYSA-N 1 1 392.475 0.261 10 0 GCAEMO Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)CC2=O)cc1 ZINC000186635792 1199901783 /nfs/dbraw/zinc/90/17/83/1199901783.db2.gz DVSINOREQBWVMU-WMZOPIPTSA-N 1 1 384.480 0.771 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673657174 1199920637 /nfs/dbraw/zinc/92/06/37/1199920637.db2.gz WIWUSBUDMABSSN-GOSISDBHSA-N 1 1 381.498 0.165 10 0 GCAEMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852233 1199960627 /nfs/dbraw/zinc/96/06/27/1199960627.db2.gz XTLSPPVBEZOQJI-CRAIPNDOSA-N 1 1 393.532 0.234 10 0 GCAEMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000673852233 1199960630 /nfs/dbraw/zinc/96/06/30/1199960630.db2.gz XTLSPPVBEZOQJI-CRAIPNDOSA-N 1 1 393.532 0.234 10 0 GCAEMO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673883850 1199968330 /nfs/dbraw/zinc/96/83/30/1199968330.db2.gz QFINAGOOZBCIKP-IRXDYDNUSA-N 1 1 380.489 0.273 10 0 GCAEMO CN1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1=O ZINC000162872393 1199987142 /nfs/dbraw/zinc/98/71/42/1199987142.db2.gz ZAIZWXNBCQMIGS-CYBMUJFWSA-N 1 1 380.411 0.903 10 0 GCAEMO C[C@@]12CN(S(=O)(=O)C[C@H]3CNCCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702092147 1200321358 /nfs/dbraw/zinc/32/13/58/1200321358.db2.gz BGUQXONYCFYKLQ-IPMKNSEASA-N 1 1 379.526 0.759 10 0 GCAEMO C[C@@]12CN(S(=O)(=O)C[C@H]3CNCCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702092147 1200321364 /nfs/dbraw/zinc/32/13/64/1200321364.db2.gz BGUQXONYCFYKLQ-IPMKNSEASA-N 1 1 379.526 0.759 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675651832 1200448340 /nfs/dbraw/zinc/44/83/40/1200448340.db2.gz LHJNBEOKHWZJPT-JKSUJKDBSA-N 1 1 388.534 0.355 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000676088665 1200492933 /nfs/dbraw/zinc/49/29/33/1200492933.db2.gz CWQXXVGURUFEOZ-KRWDZBQOSA-N 1 1 384.484 0.774 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000676259762 1200519592 /nfs/dbraw/zinc/51/95/92/1200519592.db2.gz AZECRDZPPAMFJX-WBVHZDCISA-N 1 1 383.514 0.759 10 0 GCAEMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000676259762 1200519600 /nfs/dbraw/zinc/51/96/00/1200519600.db2.gz AZECRDZPPAMFJX-WBVHZDCISA-N 1 1 383.514 0.759 10 0 GCAEMO COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685592 1200591426 /nfs/dbraw/zinc/59/14/26/1200591426.db2.gz CYRPOIJBEGNHRR-UYAOXDASSA-N 1 1 377.485 0.399 10 0 GCAEMO COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CNCCO1 ZINC000710685592 1200591435 /nfs/dbraw/zinc/59/14/35/1200591435.db2.gz CYRPOIJBEGNHRR-UYAOXDASSA-N 1 1 377.485 0.399 10 0 GCAEMO CC1(c2cc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)no2)CCCC1 ZINC000453826252 1200805117 /nfs/dbraw/zinc/80/51/17/1200805117.db2.gz VXCVABGJIRNHPL-AWEZNQCLSA-N 1 1 378.473 1.408 10 0 GCAEMO CCOC(=O)c1cnc(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)s1 ZINC000611210926 1201222974 /nfs/dbraw/zinc/22/29/74/1201222974.db2.gz QPCKZORIPHIKIW-CQSZACIVSA-N 1 1 393.513 0.358 10 0 GCAEMO Cc1cc[nH+]c(N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000162455542 1201265330 /nfs/dbraw/zinc/26/53/30/1201265330.db2.gz XICPYDJRHVMMLU-UHFFFAOYSA-N 1 1 379.420 0.742 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000730306259 1201442869 /nfs/dbraw/zinc/44/28/69/1201442869.db2.gz HCQRXHSDFUNNND-KRWDZBQOSA-N 1 1 391.493 0.795 10 0 GCAEMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731687432 1201493823 /nfs/dbraw/zinc/49/38/23/1201493823.db2.gz MKEAMXAPZWQLGD-UHFFFAOYSA-N 1 1 388.468 0.425 10 0 GCAEMO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784283 1201608587 /nfs/dbraw/zinc/60/85/87/1201608587.db2.gz IHJLDCVQPRQZKW-YDHLFZDLSA-N 1 1 386.493 0.243 10 0 GCAEMO CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(Cl)n1 ZINC000734465877 1201652472 /nfs/dbraw/zinc/65/24/72/1201652472.db2.gz CWMUGAGKZGNXFF-OAHLLOKOSA-N 1 1 381.908 0.937 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000735478842 1201689394 /nfs/dbraw/zinc/68/93/94/1201689394.db2.gz JEIHNMIOKZAYQO-HOCLYGCPSA-N 1 1 377.514 0.630 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000735478840 1201689702 /nfs/dbraw/zinc/68/97/02/1201689702.db2.gz JEIHNMIOKZAYQO-GOEBONIOSA-N 1 1 377.514 0.630 10 0 GCAEMO CN(C(=O)CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1)C1CCCCC1 ZINC000828637046 1201718797 /nfs/dbraw/zinc/71/87/97/1201718797.db2.gz UUGHJQLFXVVKHE-XLIONFOSSA-N 1 1 380.533 0.377 10 0 GCAEMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000828697008 1201719338 /nfs/dbraw/zinc/71/93/38/1201719338.db2.gz CPYHLGBDJAZLFW-INIZCTEOSA-N 1 1 395.257 0.716 10 0 GCAEMO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000828697951 1201719586 /nfs/dbraw/zinc/71/95/86/1201719586.db2.gz ZYRNCLJOQDMTMW-BXKJMJEDSA-N 1 1 387.480 0.406 10 0 GCAEMO COC(=O)c1ccc(=O)n(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000739852328 1201742973 /nfs/dbraw/zinc/74/29/73/1201742973.db2.gz HEKIXDXVQZCLTH-UHFFFAOYSA-N 1 1 399.495 0.737 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[S@](=O)CC)CC2)CC1 ZINC000741423638 1201779992 /nfs/dbraw/zinc/77/99/92/1201779992.db2.gz GSKSCPOGCYYCJZ-AREMUKBSSA-N 1 1 386.562 0.731 10 0 GCAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000770725157 1202108032 /nfs/dbraw/zinc/10/80/32/1202108032.db2.gz BIALNSSGAWQJAU-CQSZACIVSA-N 1 1 376.505 0.626 10 0 GCAEMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000787609226 1205394395 /nfs/dbraw/zinc/39/43/95/1205394395.db2.gz XWCMRBLWDIQKQF-CYBMUJFWSA-N 1 1 375.473 0.948 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000787610995 1205394845 /nfs/dbraw/zinc/39/48/45/1205394845.db2.gz CXOCEXOHHDYJRD-INIZCTEOSA-N 1 1 392.887 0.204 10 0 GCAEMO CC[C@@H](CNC(=O)C(=O)NCC[S@@](=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787631350 1205395879 /nfs/dbraw/zinc/39/58/79/1205395879.db2.gz JNZAMEFHYFHZFK-QLXKLKPCSA-N 1 1 379.526 0.824 10 0 GCAEMO CC[C@@H](CNC(=O)C(=O)NCC[S@@](=O)CC)[N@H+]1CCc2ccccc2C1 ZINC000787631350 1205395880 /nfs/dbraw/zinc/39/58/80/1205395880.db2.gz JNZAMEFHYFHZFK-QLXKLKPCSA-N 1 1 379.526 0.824 10 0 GCAEMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000788922914 1205432483 /nfs/dbraw/zinc/43/24/83/1205432483.db2.gz ZFQYSZXUUOKQOR-CQSZACIVSA-N 1 1 380.493 0.389 10 0 GCAEMO C[C@@H](OC(=O)CN1CCOCC1=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790735542 1205470826 /nfs/dbraw/zinc/47/08/26/1205470826.db2.gz KJBVYEZUYJRDNG-WBVHZDCISA-N 1 1 389.452 0.168 10 0 GCAEMO C[C@@H](OC(=O)CN1CCOCC1=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790735540 1205470934 /nfs/dbraw/zinc/47/09/34/1205470934.db2.gz KJBVYEZUYJRDNG-NVXWUHKLSA-N 1 1 389.452 0.168 10 0 GCAEMO COC(=O)[C@]1(NC(=O)CN2CCOCC2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790944628 1205472192 /nfs/dbraw/zinc/47/21/92/1205472192.db2.gz IUOLLLVLKLETSH-FQEVSTJZSA-N 1 1 389.452 0.169 10 0 GCAEMO CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000747090210 1205494123 /nfs/dbraw/zinc/49/41/23/1205494123.db2.gz IGDOMFVZICODLE-VQIMIIECSA-N 1 1 383.489 0.261 10 0 GCAEMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000793808631 1205506236 /nfs/dbraw/zinc/50/62/36/1205506236.db2.gz KQIBKLPRNWMBJA-OAHLLOKOSA-N 1 1 389.481 0.518 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793842232 1205506998 /nfs/dbraw/zinc/50/69/98/1205506998.db2.gz PLDVQGCQDHNJMT-QUGAMOGWSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793842229 1205507154 /nfs/dbraw/zinc/50/71/54/1205507154.db2.gz PLDVQGCQDHNJMT-QLXKLKPCSA-N 1 1 379.526 0.900 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000793899751 1205508775 /nfs/dbraw/zinc/50/87/75/1205508775.db2.gz QNTIUHHULNKGBA-SANMLTNESA-N 1 1 380.445 0.821 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805610084 1205540822 /nfs/dbraw/zinc/54/08/22/1205540822.db2.gz GJASNSMALVVZRS-MBXZGBHRSA-N 1 1 379.526 0.898 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000775084996 1205955309 /nfs/dbraw/zinc/95/53/09/1205955309.db2.gz SLQXXCLUEKYWKZ-CBZJRKILSA-N 1 1 395.525 0.833 10 0 GCAEMO CC(C)N(CCCNC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000123521548 530179279 /nfs/dbraw/zinc/17/92/79/530179279.db2.gz ZXBMBOOIFNNOEA-HZPDHXFCSA-N 1 1 376.567 0.577 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000265346804 530179761 /nfs/dbraw/zinc/17/97/61/530179761.db2.gz RHHJLBHMACTZGZ-HZPDHXFCSA-N 1 1 383.539 0.927 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246110161 530285086 /nfs/dbraw/zinc/28/50/86/530285086.db2.gz IDONZTIHZKTWHG-GVDBMIGSSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246110161 530285088 /nfs/dbraw/zinc/28/50/88/530285088.db2.gz IDONZTIHZKTWHG-GVDBMIGSSA-N 1 1 376.567 0.688 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000154375090 530318574 /nfs/dbraw/zinc/31/85/74/530318574.db2.gz HAXZANSTMXEFOI-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000154375090 530318576 /nfs/dbraw/zinc/31/85/76/530318576.db2.gz HAXZANSTMXEFOI-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[NH+](C3CC3)CC1)c2=O ZINC000171400696 530350039 /nfs/dbraw/zinc/35/00/39/530350039.db2.gz FDDDEPJKHZCQJK-UHFFFAOYSA-N 1 1 395.261 0.199 10 0 GCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000194120374 530395054 /nfs/dbraw/zinc/39/50/54/530395054.db2.gz LWPRZSCNVGKWPE-GFCCVEGCSA-N 1 1 385.262 0.698 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1F ZINC000571047899 530516406 /nfs/dbraw/zinc/51/64/06/530516406.db2.gz RWUSKKAZWVEKOH-CYBMUJFWSA-N 1 1 378.372 0.868 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000253544388 530553034 /nfs/dbraw/zinc/55/30/34/530553034.db2.gz NZTATPJVQNRLKV-CMPLNLGQSA-N 1 1 387.278 0.900 10 0 GCAEMO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000329082905 530606092 /nfs/dbraw/zinc/60/60/92/530606092.db2.gz DXXXETHYTDBUNN-NRKLIOEPSA-N 1 1 375.535 0.914 10 0 GCAEMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330057182 530625078 /nfs/dbraw/zinc/62/50/78/530625078.db2.gz XBBODSMZGRBBJE-HNNXBMFYSA-N 1 1 381.564 0.309 10 0 GCAEMO Cn1ncc(Br)c1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000487280555 530811704 /nfs/dbraw/zinc/81/17/04/530811704.db2.gz RHERJRKASLSHGT-LLVKDONJSA-N 1 1 395.323 0.761 10 0 GCAEMO Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)c1=O ZINC000175866803 530849152 /nfs/dbraw/zinc/84/91/52/530849152.db2.gz XPCBKYQHAQACTB-UHFFFAOYSA-N 1 1 397.273 0.783 10 0 GCAEMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181337736 530853193 /nfs/dbraw/zinc/85/31/93/530853193.db2.gz DTEXFQMEIXZFDE-DGCLKSJQSA-N 1 1 383.499 0.322 10 0 GCAEMO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171871580 530843530 /nfs/dbraw/zinc/84/35/30/530843530.db2.gz XWAHVSGWBRMFLH-ZDUSSCGKSA-N 1 1 380.461 0.740 10 0 GCAEMO CCCCN(C)S(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117372693 530934291 /nfs/dbraw/zinc/93/42/91/530934291.db2.gz ZHFSBMQMGASQNO-KRWDZBQOSA-N 1 1 376.567 0.690 10 0 GCAEMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510246354 530924915 /nfs/dbraw/zinc/92/49/15/530924915.db2.gz YSEHMFIWGIWWME-VIFPVBQESA-N 1 1 388.412 0.024 10 0 GCAEMO CO[C@H]1C[C@@H](CN(C)c2ncc(Br)cc2S(N)(=O)=O)[N@@H+](C)C1 ZINC000671441014 530936747 /nfs/dbraw/zinc/93/67/47/530936747.db2.gz BDWDIHLXUNCLBG-QWRGUYRKSA-N 1 1 393.307 0.647 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261899523 530991224 /nfs/dbraw/zinc/99/12/24/530991224.db2.gz GJWNUCUFRADSDI-GXTWGEPZSA-N 1 1 380.495 0.983 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC([NH2+]C)CC1 ZINC000262154679 530994710 /nfs/dbraw/zinc/99/47/10/530994710.db2.gz SHHXEAARKLLZLN-UHFFFAOYSA-N 1 1 391.515 0.829 10 0 GCAEMO OCC[C@@H]1CSCCN1CC1(C[N@H+]2CCSC[C@H]2CCO)COC1 ZINC000543856975 531076724 /nfs/dbraw/zinc/07/67/24/531076724.db2.gz QUQHKQURGMWYLC-HZPDHXFCSA-N 1 1 376.588 0.603 10 0 GCAEMO CC[NH+]1CCN(C(=O)CNc2ncc(I)cn2)CC1 ZINC000545916460 531088609 /nfs/dbraw/zinc/08/86/09/531088609.db2.gz MRVNFHSGPLWOLZ-UHFFFAOYSA-N 1 1 375.214 0.657 10 0 GCAEMO CC(C)OCC[NH+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000673704632 531119419 /nfs/dbraw/zinc/11/94/19/531119419.db2.gz FPVUVWAPXYLSCH-UHFFFAOYSA-N 1 1 376.523 0.164 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000564996791 531178269 /nfs/dbraw/zinc/17/82/69/531178269.db2.gz YOWNUDFQANNVJD-ZDUSSCGKSA-N 1 1 375.397 0.233 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[N@@H+]1C1CCOCC1 ZINC000095496927 208196610 /nfs/dbraw/zinc/19/66/10/208196610.db2.gz BGDRVQMXOIFHEJ-BBRMVZONSA-N 1 1 377.441 0.436 10 0 GCAEMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[N@H+]1C1CCOCC1 ZINC000095496927 208196616 /nfs/dbraw/zinc/19/66/16/208196616.db2.gz BGDRVQMXOIFHEJ-BBRMVZONSA-N 1 1 377.441 0.436 10 0 GCAEMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)C[N@H+]1C1CCOCC1 ZINC000095526775 208225887 /nfs/dbraw/zinc/22/58/87/208225887.db2.gz WEFVRADVUHRGMG-CJNGLKHVSA-N 1 1 376.457 0.251 10 0 GCAEMO C/C=C(/C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000056871318 222027005 /nfs/dbraw/zinc/02/70/05/222027005.db2.gz HRSGCYGUWHGOPY-LYHHMGRNSA-N 1 1 397.468 0.305 10 0 biogenic,in-vitro GCAEMO CC(C)C[N@H+]1CCn2nc(CNC(=O)C3CCN(CC(N)=O)CC3)cc2C1 ZINC000082137284 222310087 /nfs/dbraw/zinc/31/00/87/222310087.db2.gz OPSAGZINRBNRMS-UHFFFAOYSA-N 1 1 376.505 0.168 10 0 GCAEMO CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000763497196 640631106 /nfs/dbraw/zinc/63/11/06/640631106.db2.gz AEYBJEHVLUAEBN-ZDUSSCGKSA-N 1 1 376.523 0.038 10 0 GCAEMO COCCCS(=O)(=O)N1CCC(OC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000774997601 640903189 /nfs/dbraw/zinc/90/31/89/640903189.db2.gz SVGOENIDFBSBEL-CQSZACIVSA-N 1 1 394.559 0.798 10 0 GCAEMO COCCCS(=O)(=O)N1CCC(OC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000774997601 640903191 /nfs/dbraw/zinc/90/31/91/640903191.db2.gz SVGOENIDFBSBEL-CQSZACIVSA-N 1 1 394.559 0.798 10 0 GCAEMO CCC(=O)N1CC[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000161868794 1192286652 /nfs/dbraw/zinc/28/66/52/1192286652.db2.gz IIRFIJDCUCGXIX-QGZVFWFLSA-N 1 1 378.517 0.648 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@H]2CCCCO2)cn1 ZINC000549659419 1192560774 /nfs/dbraw/zinc/56/07/74/1192560774.db2.gz HIXXRFMNNPDMTJ-IRXDYDNUSA-N 1 1 387.488 0.769 10 0 GCAEMO Cn1cc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@H]2CCCCO2)cn1 ZINC000549659419 1192560778 /nfs/dbraw/zinc/56/07/78/1192560778.db2.gz HIXXRFMNNPDMTJ-IRXDYDNUSA-N 1 1 387.488 0.769 10 0 GCAEMO C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376650 1192572637 /nfs/dbraw/zinc/57/26/37/1192572637.db2.gz XKDUYAYCCDEMAO-ZIAGYGMSSA-N 1 1 381.498 0.536 10 0 GCAEMO C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376650 1192572641 /nfs/dbraw/zinc/57/26/41/1192572641.db2.gz XKDUYAYCCDEMAO-ZIAGYGMSSA-N 1 1 381.498 0.536 10 0 GCAEMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3(S(C)(=O)=O)CCC3)c2)CC1 ZINC000279908468 1192616800 /nfs/dbraw/zinc/61/68/00/1192616800.db2.gz MZPGXQQIBWYAKA-UHFFFAOYSA-N 1 1 393.509 0.909 10 0 GCAEMO O=C(CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1)N1CCOCC1 ZINC000408422882 1192882932 /nfs/dbraw/zinc/88/29/32/1192882932.db2.gz UYRKNAVIRNPKCO-SFHVURJKSA-N 1 1 378.517 0.396 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614104066 1192903700 /nfs/dbraw/zinc/90/37/00/1192903700.db2.gz FGFNUCRSYMCHDB-SJORKVTESA-N 1 1 397.472 0.812 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614104063 1192903953 /nfs/dbraw/zinc/90/39/53/1192903953.db2.gz FGFNUCRSYMCHDB-DLBZAZTESA-N 1 1 397.472 0.812 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 ZINC000408440189 1192914074 /nfs/dbraw/zinc/91/40/74/1192914074.db2.gz ZCXAIVVMTIVIQN-UONOGXRCSA-N 1 1 381.498 0.536 10 0 GCAEMO O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186645194 1184085433 /nfs/dbraw/zinc/08/54/33/1184085433.db2.gz CVZWQYFBIWZDNE-MSOLQXFVSA-N 1 1 384.480 0.714 10 0 GCAEMO O=C(C[N@H+](CCO)CCN1CCOCC1)NCc1cnn(-c2ccccc2)c1 ZINC000119047882 1184238771 /nfs/dbraw/zinc/23/87/71/1184238771.db2.gz LVITXOANCLBEOW-UHFFFAOYSA-N 1 1 387.484 0.115 10 0 GCAEMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NCc1cnn(-c2ccccc2)c1 ZINC000119047882 1184238776 /nfs/dbraw/zinc/23/87/76/1184238776.db2.gz LVITXOANCLBEOW-UHFFFAOYSA-N 1 1 387.484 0.115 10 0 GCAEMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCSC[C@@H]2CCO)C[C@@H](C)O1 ZINC000579865249 1184403270 /nfs/dbraw/zinc/40/32/70/1184403270.db2.gz QGJBWDORVCJLLA-KFWWJZLASA-N 1 1 387.546 0.317 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000154622236 1184427813 /nfs/dbraw/zinc/42/78/13/1184427813.db2.gz CZOYHLMVOVEAHQ-LLVKDONJSA-N 1 1 377.367 0.299 10 0 GCAEMO O=C(CN1CCOCC1=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000547733234 1184439353 /nfs/dbraw/zinc/43/93/53/1184439353.db2.gz CMCCMAQTEHOFLS-UHFFFAOYSA-N 1 1 387.440 0.235 10 0 GCAEMO CNC(=O)c1ccn([C@H]2CCC[N@@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539082 1184703626 /nfs/dbraw/zinc/70/36/26/1184703626.db2.gz CRUJJZZYIMENIG-GOEBONIOSA-N 1 1 385.472 0.727 10 0 GCAEMO CNC(=O)c1ccn([C@H]2CCC[N@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539082 1184703632 /nfs/dbraw/zinc/70/36/32/1184703632.db2.gz CRUJJZZYIMENIG-GOEBONIOSA-N 1 1 385.472 0.727 10 0 GCAEMO CS(=O)(=O)NCC1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000510268624 1184712399 /nfs/dbraw/zinc/71/23/99/1184712399.db2.gz OAPZACVCLRUDFJ-MRXNPFEDSA-N 1 1 381.498 0.368 10 0 GCAEMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269474 1185136770 /nfs/dbraw/zinc/13/67/70/1185136770.db2.gz ZJEMDCYJYAIQAB-TZMCWYRMSA-N 1 1 377.445 0.594 10 0 GCAEMO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683878187 1185173897 /nfs/dbraw/zinc/17/38/97/1185173897.db2.gz MSDPSQABERQDSY-HNNXBMFYSA-N 1 1 392.504 0.095 10 0 GCAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000255225880 1185323257 /nfs/dbraw/zinc/32/32/57/1185323257.db2.gz GCPALAZWKFMYLW-NLMGXMIUSA-N 1 1 392.500 0.350 10 0 GCAEMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000510391361 1185604361 /nfs/dbraw/zinc/60/43/61/1185604361.db2.gz BADHUIPLGMXKTA-UHFFFAOYSA-N 1 1 382.424 0.061 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000625649960 1185803693 /nfs/dbraw/zinc/80/36/93/1185803693.db2.gz PXVPMASZBJFBPC-MRXNPFEDSA-N 1 1 395.548 0.034 10 0 GCAEMO C[C@H](C(=O)N(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)n1cccn1 ZINC000328849655 1185969585 /nfs/dbraw/zinc/96/95/85/1185969585.db2.gz WHTAQZJDNWCHOC-MSOLQXFVSA-N 1 1 390.532 0.531 10 0 GCAEMO C[C@H]1CN(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000328889629 1186009769 /nfs/dbraw/zinc/00/97/69/1186009769.db2.gz QUECIRIBBIOZFP-HOTGVXAUSA-N 1 1 383.514 0.962 10 0 GCAEMO CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)co1 ZINC000535908381 1186288818 /nfs/dbraw/zinc/28/88/18/1186288818.db2.gz OWBAFLKWWVTBSE-UHFFFAOYSA-N 1 1 394.457 0.006 10 0 GCAEMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157557712 1186364708 /nfs/dbraw/zinc/36/47/08/1186364708.db2.gz QQQZDDLLQQSJMY-JTQLQIEISA-N 1 1 376.461 0.460 10 0 GCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000559515724 1186420528 /nfs/dbraw/zinc/42/05/28/1186420528.db2.gz YWLMKCMOHJBYHY-IRXDYDNUSA-N 1 1 399.495 0.445 10 0 GCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000559515724 1186420531 /nfs/dbraw/zinc/42/05/31/1186420531.db2.gz YWLMKCMOHJBYHY-IRXDYDNUSA-N 1 1 399.495 0.445 10 0 GCAEMO O=C(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000152489673 1186527449 /nfs/dbraw/zinc/52/74/49/1186527449.db2.gz WIZIKWCXYOBXCF-MRXNPFEDSA-N 1 1 386.500 0.873 10 0 GCAEMO O=C(C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000152489673 1186527455 /nfs/dbraw/zinc/52/74/55/1186527455.db2.gz WIZIKWCXYOBXCF-MRXNPFEDSA-N 1 1 386.500 0.873 10 0 GCAEMO CC1(C)C[N@H+](C2(CNC(=O)NC[C@@H](O)Cn3ccnn3)CCCCC2)CCO1 ZINC000458370320 1186758225 /nfs/dbraw/zinc/75/82/25/1186758225.db2.gz SZNHOEHLKGNSHW-MRXNPFEDSA-N 1 1 394.520 0.752 10 0 GCAEMO CC(=O)N[C@@](C)(C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000583085248 1186766797 /nfs/dbraw/zinc/76/67/97/1186766797.db2.gz WHXASIHBLQVRIF-ZWKOTPCHSA-N 1 1 399.488 0.601 10 0 GCAEMO O=C(NCc1nnc2ccccn21)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583156715 1186783586 /nfs/dbraw/zinc/78/35/86/1186783586.db2.gz FGJYKQKSYBYDIL-QGZVFWFLSA-N 1 1 392.463 0.984 10 0 GCAEMO CCC[C@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCOC ZINC000128487436 1186890944 /nfs/dbraw/zinc/89/09/44/1186890944.db2.gz ZTLDEVWRXIZQJE-WAVCKPEOSA-N 1 1 378.473 0.057 10 0 GCAEMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000157021471 1186894597 /nfs/dbraw/zinc/89/45/97/1186894597.db2.gz GGHGWDWQBWYWKL-CHWSQXEVSA-N 1 1 380.411 0.950 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000329276335 1186895320 /nfs/dbraw/zinc/89/53/20/1186895320.db2.gz LCJLOYFRVKWSKI-HZPDHXFCSA-N 1 1 383.514 0.962 10 0 GCAEMO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000163417473 1186925476 /nfs/dbraw/zinc/92/54/76/1186925476.db2.gz VRMFMHVZUPLRKJ-AEFFLSMTSA-N 1 1 376.501 0.953 10 0 GCAEMO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000329544501 1186958752 /nfs/dbraw/zinc/95/87/52/1186958752.db2.gz YUWBVKBBRWTVEY-SFHVURJKSA-N 1 1 379.526 0.697 10 0 GCAEMO COC(=O)[C@]1(NCCCC(=O)NC(N)=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611794614 1186959755 /nfs/dbraw/zinc/95/97/55/1186959755.db2.gz BPILPFKAFFQLEA-IBGZPJMESA-N 1 1 376.457 0.759 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592851 1186969659 /nfs/dbraw/zinc/96/96/59/1186969659.db2.gz ULUPXMDDYYHYEK-QYZOEREBSA-N 1 1 394.560 0.888 10 0 GCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000158686595 1186987130 /nfs/dbraw/zinc/98/71/30/1186987130.db2.gz ZGLLDDWEBSVTOG-IAGOWNOFSA-N 1 1 379.505 0.986 10 0 GCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246821763 1187011446 /nfs/dbraw/zinc/01/14/46/1187011446.db2.gz SOSXRSILLORMBW-NJZAAPMLSA-N 1 1 385.534 0.645 10 0 GCAEMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584403644 1187051845 /nfs/dbraw/zinc/05/18/45/1187051845.db2.gz LYRYATYWKPKWMO-CAOSSQGBSA-N 1 1 398.504 0.385 10 0 GCAEMO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000297221869 1187123254 /nfs/dbraw/zinc/12/32/54/1187123254.db2.gz HORKWDVTHRMNEP-IAGOWNOFSA-N 1 1 395.529 0.660 10 0 GCAEMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)COc3cnn(C)c3)CC2)CC1 ZINC000548849100 1187185325 /nfs/dbraw/zinc/18/53/25/1187185325.db2.gz BPKRJETVOVIAOA-UHFFFAOYSA-N 1 1 377.489 0.592 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448318235 1187638719 /nfs/dbraw/zinc/63/87/19/1187638719.db2.gz APZWQMIZQUNKOO-HNNXBMFYSA-N 1 1 396.513 0.770 10 0 GCAEMO C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000173320846 1187722158 /nfs/dbraw/zinc/72/21/58/1187722158.db2.gz YEEAUKFMVKILPN-VNHYZAJKSA-N 1 1 378.448 0.705 10 0 GCAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)C1 ZINC000332846996 1187793681 /nfs/dbraw/zinc/79/36/81/1187793681.db2.gz SBZQTVLGCBYBIR-VYDXJSESSA-N 1 1 383.514 0.623 10 0 GCAEMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC000332889119 1187804952 /nfs/dbraw/zinc/80/49/52/1187804952.db2.gz MGCGWIJTXURKEM-NQNKBUKLSA-N 1 1 399.557 0.695 10 0 GCAEMO CCOC(=O)C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCC1 ZINC000467195861 1188155049 /nfs/dbraw/zinc/15/50/49/1188155049.db2.gz NJPVKOBWARTHKQ-UHFFFAOYSA-N 1 1 375.473 0.933 10 0 GCAEMO CCOC(=O)C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCC1 ZINC000467195861 1188155050 /nfs/dbraw/zinc/15/50/50/1188155050.db2.gz NJPVKOBWARTHKQ-UHFFFAOYSA-N 1 1 375.473 0.933 10 0 GCAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000584581316 1189581435 /nfs/dbraw/zinc/58/14/35/1189581435.db2.gz LYBAXJNPZMILNA-LLGFUMIMSA-N 1 1 392.544 0.989 10 0 GCAEMO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000759891456 1189810595 /nfs/dbraw/zinc/81/05/95/1189810595.db2.gz HNLWDIXGIFOMOD-ATVHPVEESA-N 1 1 391.497 0.887 10 0 GCAEMO CC(=O)N[C@@H](C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000053739857 1189819578 /nfs/dbraw/zinc/81/95/78/1189819578.db2.gz QRODZKZPSDXZRF-IEBWSBKVSA-N 1 1 397.516 0.698 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000271799572 1194413445 /nfs/dbraw/zinc/41/34/45/1194413445.db2.gz JVQWEYIZXMEXMS-CVEARBPZSA-N 1 1 390.488 0.832 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000434735397 1194867443 /nfs/dbraw/zinc/86/74/43/1194867443.db2.gz ITDHZWHRGXFTQE-NSHDSACASA-N 1 1 393.513 0.533 10 0 GCAEMO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000435032880 1194884592 /nfs/dbraw/zinc/88/45/92/1194884592.db2.gz INZQMEIHDXCGPV-IBGZPJMESA-N 1 1 390.440 0.384 10 0 GCAEMO CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000435032880 1194884594 /nfs/dbraw/zinc/88/45/94/1194884594.db2.gz INZQMEIHDXCGPV-IBGZPJMESA-N 1 1 390.440 0.384 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@@H+]3C[C@@H]1C)CC2 ZINC000514683499 1194892604 /nfs/dbraw/zinc/89/26/04/1194892604.db2.gz BYAHVVHWFKSUCA-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@H+]3C[C@@H]1C)CC2 ZINC000514683499 1194892608 /nfs/dbraw/zinc/89/26/08/1194892608.db2.gz BYAHVVHWFKSUCA-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549990442 1195110193 /nfs/dbraw/zinc/11/01/93/1195110193.db2.gz ATYULVLQCGUDPC-JKSUJKDBSA-N 1 1 376.457 0.076 10 0 GCAEMO COc1cc2c(cc1OC)CN(CC(=O)NCC[N@H+]1CCCOCC1)CC2 ZINC000438684297 1195236146 /nfs/dbraw/zinc/23/61/46/1195236146.db2.gz VSVXPOKQPLWYIW-UHFFFAOYSA-N 1 1 377.485 0.900 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cc(N4CCOCC4)ccn3)CC2)cc[nH+]1 ZINC000439501794 1195327458 /nfs/dbraw/zinc/32/74/58/1195327458.db2.gz FEZREMLKMXIJQE-UHFFFAOYSA-N 1 1 397.483 0.737 10 0 GCAEMO CC(=O)NCCC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506631263 1195336787 /nfs/dbraw/zinc/33/67/87/1195336787.db2.gz DRQNIRIIFKPORZ-QGZVFWFLSA-N 1 1 376.505 0.368 10 0 GCAEMO COC(=O)CCC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506651789 1195342229 /nfs/dbraw/zinc/34/22/29/1195342229.db2.gz JRBAWFYBMGPUSQ-INIZCTEOSA-N 1 1 377.489 0.795 10 0 GCAEMO COC(=O)CCC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506651790 1195342258 /nfs/dbraw/zinc/34/22/58/1195342258.db2.gz JRBAWFYBMGPUSQ-MRXNPFEDSA-N 1 1 377.489 0.795 10 0 GCAEMO C[C@@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC[N@@H+]1CCO ZINC000187692564 1195420341 /nfs/dbraw/zinc/42/03/41/1195420341.db2.gz VQFKQJVFAMOZIG-CQSZACIVSA-N 1 1 382.892 0.735 10 0 GCAEMO C[C@@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC[N@H+]1CCO ZINC000187692564 1195420344 /nfs/dbraw/zinc/42/03/44/1195420344.db2.gz VQFKQJVFAMOZIG-CQSZACIVSA-N 1 1 382.892 0.735 10 0 GCAEMO Cc1cc(NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)n(-c2nc(C)cc(C)n2)n1 ZINC000187720335 1195421175 /nfs/dbraw/zinc/42/11/75/1195421175.db2.gz YEMHZTXCHQBWJM-MRXNPFEDSA-N 1 1 387.488 0.524 10 0 GCAEMO Cc1cc(NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)n(-c2nc(C)cc(C)n2)n1 ZINC000187720335 1195421176 /nfs/dbraw/zinc/42/11/76/1195421176.db2.gz YEMHZTXCHQBWJM-MRXNPFEDSA-N 1 1 387.488 0.524 10 0 GCAEMO COc1ccc(CN2CCN(C(=O)CN3CC[N@H+](CCO)[C@H](C)C3)CC2)cc1 ZINC000187662334 1195421205 /nfs/dbraw/zinc/42/12/05/1195421205.db2.gz YUOPKDXMULBRED-GOSISDBHSA-N 1 1 390.528 0.338 10 0 GCAEMO COc1ccc(CN2CCN(C(=O)CN3CC[N@@H+](CCO)[C@H](C)C3)CC2)cc1 ZINC000187662334 1195421208 /nfs/dbraw/zinc/42/12/08/1195421208.db2.gz YUOPKDXMULBRED-GOSISDBHSA-N 1 1 390.528 0.338 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1CCO ZINC000187732289 1195421706 /nfs/dbraw/zinc/42/17/06/1195421706.db2.gz BSRODXQXBNBRQC-GFCCVEGCSA-N 1 1 379.852 0.253 10 0 GCAEMO C[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC[N@H+]1CCO ZINC000187732289 1195421707 /nfs/dbraw/zinc/42/17/07/1195421707.db2.gz BSRODXQXBNBRQC-GFCCVEGCSA-N 1 1 379.852 0.253 10 0 GCAEMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCNS(C)(=O)=O)cc2)CC1 ZINC000048844164 1195434170 /nfs/dbraw/zinc/43/41/70/1195434170.db2.gz CYNHOAJTDAESSG-UHFFFAOYSA-N 1 1 382.530 0.380 10 0 GCAEMO COC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000550095870 1195435361 /nfs/dbraw/zinc/43/53/61/1195435361.db2.gz IDFFELFCOIESID-ZWKOTPCHSA-N 1 1 377.485 0.963 10 0 GCAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCCN(CCO)C1=O ZINC000473671852 1195436187 /nfs/dbraw/zinc/43/61/87/1195436187.db2.gz YGVNCUCMKDDIDH-GOSISDBHSA-N 1 1 390.484 0.666 10 0 GCAEMO CC(=O)N1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550115994 1195441029 /nfs/dbraw/zinc/44/10/29/1195441029.db2.gz PEIJPWRLJMKKLW-LJQANCHMSA-N 1 1 386.496 0.846 10 0 GCAEMO CN(CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1=NS(=O)(=O)c2ccccc21 ZINC000262046272 1195450375 /nfs/dbraw/zinc/45/03/75/1195450375.db2.gz UNYUUELHYGKKGD-INIZCTEOSA-N 1 1 399.476 0.635 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000441011204 1195596878 /nfs/dbraw/zinc/59/68/78/1195596878.db2.gz OLUHEJIUYPOZMP-WFASDCNBSA-N 1 1 382.486 0.332 10 0 GCAEMO C[N@@H+](CCCO)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000440963094 1195597360 /nfs/dbraw/zinc/59/73/60/1195597360.db2.gz PRNUSXJOPGVGQK-UHFFFAOYSA-N 1 1 383.514 0.792 10 0 GCAEMO O=C(NCc1nnc2ccccn21)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000520259192 1195610953 /nfs/dbraw/zinc/61/09/53/1195610953.db2.gz YJQGXYKZFJSWOI-AWEZNQCLSA-N 1 1 382.424 0.892 10 0 GCAEMO C[NH+]1CCN(c2ccc(-c3noc(C(C)(C)NS(C)(=O)=O)n3)cn2)CC1 ZINC000520297274 1195617878 /nfs/dbraw/zinc/61/78/78/1195617878.db2.gz RTVYMRZDBGMYBJ-UHFFFAOYSA-N 1 1 380.474 0.668 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000328834817 1195669955 /nfs/dbraw/zinc/66/99/55/1195669955.db2.gz SEVIPCOMCZPZGF-UZLBHIALSA-N 1 1 391.516 0.540 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000441492491 1195763354 /nfs/dbraw/zinc/76/33/54/1195763354.db2.gz QXZBYPBTTYWBCI-CZUORRHYSA-N 1 1 394.497 0.476 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000441492489 1195763502 /nfs/dbraw/zinc/76/35/02/1195763502.db2.gz QXZBYPBTTYWBCI-CJNGLKHVSA-N 1 1 394.497 0.476 10 0 GCAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000193312204 1195811617 /nfs/dbraw/zinc/81/16/17/1195811617.db2.gz WFHFHIOLSSCERD-LLVKDONJSA-N 1 1 392.403 0.685 10 0 GCAEMO Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000507849624 1195864727 /nfs/dbraw/zinc/86/47/27/1195864727.db2.gz DBMUZRIMHZESNT-INIZCTEOSA-N 1 1 384.488 0.510 10 0 GCAEMO Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000507849624 1195864731 /nfs/dbraw/zinc/86/47/31/1195864731.db2.gz DBMUZRIMHZESNT-INIZCTEOSA-N 1 1 384.488 0.510 10 0 GCAEMO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441914629 1195931443 /nfs/dbraw/zinc/93/14/43/1195931443.db2.gz AMIDXDVYJFPMAE-INIZCTEOSA-N 1 1 390.433 0.726 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000441944696 1195934694 /nfs/dbraw/zinc/93/46/94/1195934694.db2.gz FZPWTHQIIUBBKR-AWEZNQCLSA-N 1 1 383.460 0.322 10 0 GCAEMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000442305498 1195975473 /nfs/dbraw/zinc/97/54/73/1195975473.db2.gz LFUVGVCBBSRRPF-UHFFFAOYSA-N 1 1 388.468 0.619 10 0 GCAEMO Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc21 ZINC000443136400 1196023403 /nfs/dbraw/zinc/02/34/03/1196023403.db2.gz WTKUGFHYVSMIMO-UHFFFAOYSA-N 1 1 399.495 0.619 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCc2nnc3n2CCCC3)CC1=O ZINC000166313110 1196061741 /nfs/dbraw/zinc/06/17/41/1196061741.db2.gz FUKUIFYIABANGH-CVEARBPZSA-N 1 1 388.516 0.606 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1S(N)(=O)=O ZINC000522379874 1196088377 /nfs/dbraw/zinc/08/83/77/1196088377.db2.gz QECPGPZSKGYTHP-GFCCVEGCSA-N 1 1 387.477 0.824 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000550567977 1196088478 /nfs/dbraw/zinc/08/84/78/1196088478.db2.gz JZQGEHKXJOJENJ-UHFFFAOYSA-N 1 1 387.484 0.303 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550581985 1196093534 /nfs/dbraw/zinc/09/35/34/1196093534.db2.gz KKATVKSMCCZVRU-CALCHBBNSA-N 1 1 380.533 0.759 10 0 GCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550581989 1196093642 /nfs/dbraw/zinc/09/36/42/1196093642.db2.gz KKATVKSMCCZVRU-IRXDYDNUSA-N 1 1 380.533 0.759 10 0 GCAEMO C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)CN1CC[NH+](C)CC1 ZINC000114379713 1196097625 /nfs/dbraw/zinc/09/76/25/1196097625.db2.gz OMOWPLKVJFQRBC-ZDUSSCGKSA-N 1 1 377.880 0.929 10 0 GCAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC(=O)NC1CCCCC1 ZINC000522443798 1196122429 /nfs/dbraw/zinc/12/24/29/1196122429.db2.gz TVXPVJGEADVUAC-INIZCTEOSA-N 1 1 381.521 0.677 10 0 GCAEMO CC(C)C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329207416 1196175746 /nfs/dbraw/zinc/17/57/46/1196175746.db2.gz FEFQXTRPSNFGOH-KRWDZBQOSA-N 1 1 394.516 0.027 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)[C@H]2C1 ZINC000329377179 1196190377 /nfs/dbraw/zinc/19/03/77/1196190377.db2.gz LXPUKMCKQJVRIT-JZAWBGDQSA-N 1 1 377.485 0.872 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)[C@H]2C1 ZINC000329377181 1196190512 /nfs/dbraw/zinc/19/05/12/1196190512.db2.gz LXPUKMCKQJVRIT-QUSNUVHPSA-N 1 1 377.485 0.872 10 0 GCAEMO CN(C)C(=O)C1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000043784360 1196403850 /nfs/dbraw/zinc/40/38/50/1196403850.db2.gz GYFWRMDYJRWQHC-UHFFFAOYSA-N 1 1 382.411 0.820 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)cc[nH+]1 ZINC000524771625 1196622880 /nfs/dbraw/zinc/62/28/80/1196622880.db2.gz YOCKCSAUFDMBDT-QGZVFWFLSA-N 1 1 376.486 0.257 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)CC2)cc[nH+]1 ZINC000524771892 1196623563 /nfs/dbraw/zinc/62/35/63/1196623563.db2.gz FOCFQNKLOLOVLY-UHFFFAOYSA-N 1 1 379.442 0.502 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3ccc(N4CCCC4)nn3)CC2)cc[nH+]1 ZINC000524960801 1196640713 /nfs/dbraw/zinc/64/07/13/1196640713.db2.gz ZSIGMHRXFDJIJY-UHFFFAOYSA-N 1 1 382.472 0.895 10 0 GCAEMO Cn1cc([C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(F)(F)F)cn1 ZINC000446467448 1196643429 /nfs/dbraw/zinc/64/34/29/1196643429.db2.gz UXCKWZJSTJQWHA-WCQYABFASA-N 1 1 390.410 0.910 10 0 GCAEMO Cc1noc(CN2CCN(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000525305576 1196666834 /nfs/dbraw/zinc/66/68/34/1196666834.db2.gz VFNHRSSOLWITFL-HNNXBMFYSA-N 1 1 379.509 0.089 10 0 GCAEMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000525321949 1196672248 /nfs/dbraw/zinc/67/22/48/1196672248.db2.gz AQXKLSVYUXUFCY-HNNXBMFYSA-N 1 1 389.500 0.608 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc[nH+]1 ZINC000525494808 1196686925 /nfs/dbraw/zinc/68/69/25/1196686925.db2.gz PXMKJSFWTAZNLX-UHFFFAOYSA-N 1 1 394.435 0.487 10 0 GCAEMO COc1c(F)cc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000525611931 1196694894 /nfs/dbraw/zinc/69/48/94/1196694894.db2.gz VXFWEPLDMGZNOF-SMDDNHRTSA-N 1 1 387.477 0.823 10 0 GCAEMO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116165708 1196795605 /nfs/dbraw/zinc/79/56/05/1196795605.db2.gz WNGWRCXOEQOWJA-ICSRJNTNSA-N 1 1 388.512 0.968 10 0 GCAEMO Cn1cc(N2CC[C@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cn1 ZINC000117830551 1196840042 /nfs/dbraw/zinc/84/00/42/1196840042.db2.gz MITMBESHWZLSIB-IBGZPJMESA-N 1 1 396.495 0.459 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)CC12COC2 ZINC000449367800 1196869714 /nfs/dbraw/zinc/86/97/14/1196869714.db2.gz YWDDCDZAHFDMHJ-MRXNPFEDSA-N 1 1 378.473 0.577 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N1CCCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000119158051 1196881209 /nfs/dbraw/zinc/88/12/09/1196881209.db2.gz MHLIHWBAADXDIV-GOSISDBHSA-N 1 1 389.548 0.970 10 0 GCAEMO C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121303819 1196955073 /nfs/dbraw/zinc/95/50/73/1196955073.db2.gz SGRBCCYGGWATOR-CYBMUJFWSA-N 1 1 378.439 0.930 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC12COC2 ZINC000451143019 1196973154 /nfs/dbraw/zinc/97/31/54/1196973154.db2.gz WVTUSUQXHNWRMN-HNNXBMFYSA-N 1 1 391.424 0.855 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC12COC2 ZINC000451143019 1196973156 /nfs/dbraw/zinc/97/31/56/1196973156.db2.gz WVTUSUQXHNWRMN-HNNXBMFYSA-N 1 1 391.424 0.855 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451127467 1196973544 /nfs/dbraw/zinc/97/35/44/1196973544.db2.gz URLWAVCFEWEPGW-OAHLLOKOSA-N 1 1 384.454 0.224 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC12COC2 ZINC000451125066 1196973674 /nfs/dbraw/zinc/97/36/74/1196973674.db2.gz KFNBINYXJJUBEJ-LSDHHAIUSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC12COC2 ZINC000451125066 1196973676 /nfs/dbraw/zinc/97/36/76/1196973676.db2.gz KFNBINYXJJUBEJ-LSDHHAIUSA-N 1 1 390.436 0.454 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC12COC2 ZINC000451123018 1196973698 /nfs/dbraw/zinc/97/36/98/1196973698.db2.gz BGKYSUFDDCGRDR-QLFBSQMISA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC12COC2 ZINC000451123018 1196973699 /nfs/dbraw/zinc/97/36/99/1196973699.db2.gz BGKYSUFDDCGRDR-QLFBSQMISA-N 1 1 381.473 0.902 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000451134246 1196974559 /nfs/dbraw/zinc/97/45/59/1196974559.db2.gz KPAITKGINNEWQG-INIZCTEOSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000451134246 1196974563 /nfs/dbraw/zinc/97/45/63/1196974563.db2.gz KPAITKGINNEWQG-INIZCTEOSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)CC1(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000451233089 1196981669 /nfs/dbraw/zinc/98/16/69/1196981669.db2.gz HDRFUYMPONIOBG-UHFFFAOYSA-N 1 1 397.501 0.480 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268687 1197049357 /nfs/dbraw/zinc/04/93/57/1197049357.db2.gz XFJQPKLILZJXNT-MSOLQXFVSA-N 1 1 388.464 0.926 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12COC2 ZINC000452268687 1197049363 /nfs/dbraw/zinc/04/93/63/1197049363.db2.gz XFJQPKLILZJXNT-MSOLQXFVSA-N 1 1 388.464 0.926 10 0 GCAEMO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531918765 1197104145 /nfs/dbraw/zinc/10/41/45/1197104145.db2.gz OVSTYYHTFVHNQT-IRXDYDNUSA-N 1 1 381.498 0.968 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000171761497 1197158411 /nfs/dbraw/zinc/15/84/11/1197158411.db2.gz QHTIGGDZCWTOTK-SFHVURJKSA-N 1 1 381.565 0.909 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000173967340 1197178606 /nfs/dbraw/zinc/17/86/06/1197178606.db2.gz CAJUFZKYKDCTPK-LBPRGKRZSA-N 1 1 390.406 0.707 10 0 GCAEMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000174382821 1197180338 /nfs/dbraw/zinc/18/03/38/1197180338.db2.gz QDADSFRPNCVLQL-MRXNPFEDSA-N 1 1 391.516 0.728 10 0 GCAEMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000178095332 1197192509 /nfs/dbraw/zinc/19/25/09/1197192509.db2.gz XOHRMUKWCPCSET-HNNXBMFYSA-N 1 1 385.472 0.792 10 0 GCAEMO COCCNC(=O)[C@H](CC(C)C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000179268290 1197197522 /nfs/dbraw/zinc/19/75/22/1197197522.db2.gz QKIMRNQWWLYKJQ-KRWDZBQOSA-N 1 1 393.532 0.926 10 0 GCAEMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182516525 1197207136 /nfs/dbraw/zinc/20/71/36/1197207136.db2.gz MWOLYYVGTCTJKM-GOSISDBHSA-N 1 1 388.516 0.856 10 0 GCAEMO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1-n1cccn1 ZINC000183167420 1197207848 /nfs/dbraw/zinc/20/78/48/1197207848.db2.gz BDUYKJUUYPUWLS-GFCCVEGCSA-N 1 1 379.424 0.997 10 0 GCAEMO CCN(CC1CC1)S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000183887602 1197210392 /nfs/dbraw/zinc/21/03/92/1197210392.db2.gz LYDWCNQEOCOSJF-UHFFFAOYSA-N 1 1 386.562 0.839 10 0 GCAEMO C[NH+]1CCC(CNC(=O)c2cn(CC3(C)COC3)nn2)(N2CCCCC2)CC1 ZINC000184970577 1197213160 /nfs/dbraw/zinc/21/31/60/1197213160.db2.gz NSFFRMFQIFYXIW-UHFFFAOYSA-N 1 1 390.532 0.995 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C[C@H](C)[N@H+]1CCO ZINC000453938050 1197232540 /nfs/dbraw/zinc/23/25/40/1197232540.db2.gz PMSPPVZZMSBBAK-OKILXGFUSA-N 1 1 386.452 0.391 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C[C@H](C)[N@@H+]1CCO ZINC000453938050 1197232541 /nfs/dbraw/zinc/23/25/41/1197232541.db2.gz PMSPPVZZMSBBAK-OKILXGFUSA-N 1 1 386.452 0.391 10 0 GCAEMO COCCN1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1=O ZINC000189058729 1197235161 /nfs/dbraw/zinc/23/51/61/1197235161.db2.gz GIIRFSFSZGTYCN-HXUWFJFHSA-N 1 1 388.512 0.682 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000189450058 1197236753 /nfs/dbraw/zinc/23/67/53/1197236753.db2.gz KUHZPXLXZKJUIG-ZWKOTPCHSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000189450058 1197236754 /nfs/dbraw/zinc/23/67/54/1197236754.db2.gz KUHZPXLXZKJUIG-ZWKOTPCHSA-N 1 1 384.565 0.236 10 0 GCAEMO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171528241 1197239826 /nfs/dbraw/zinc/23/98/26/1197239826.db2.gz NRULRMOGEBFLBY-HOTGVXAUSA-N 1 1 386.456 0.881 10 0 GCAEMO CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192790884 1197248380 /nfs/dbraw/zinc/24/83/80/1197248380.db2.gz MPZRDBYZTXCTLN-DLBZAZTESA-N 1 1 380.514 0.842 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(NC(=O)C3CC3)CC2)C1 ZINC000192885790 1197248436 /nfs/dbraw/zinc/24/84/36/1197248436.db2.gz BTCCAQOMFXFAEK-SFHVURJKSA-N 1 1 380.533 0.450 10 0 GCAEMO CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192790923 1197248594 /nfs/dbraw/zinc/24/85/94/1197248594.db2.gz MPZRDBYZTXCTLN-SJORKVTESA-N 1 1 380.514 0.842 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccnn3)CC2)C1 ZINC000170650052 1197254101 /nfs/dbraw/zinc/25/41/01/1197254101.db2.gz KFUZYQLMRUQWFX-KRWDZBQOSA-N 1 1 376.505 0.072 10 0 GCAEMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000453982921 1197295402 /nfs/dbraw/zinc/29/54/02/1197295402.db2.gz UHYQHMSUJPURSM-GFCCVEGCSA-N 1 1 376.432 0.993 10 0 GCAEMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000453982921 1197295405 /nfs/dbraw/zinc/29/54/05/1197295405.db2.gz UHYQHMSUJPURSM-GFCCVEGCSA-N 1 1 376.432 0.993 10 0 GCAEMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000454011350 1197301850 /nfs/dbraw/zinc/30/18/50/1197301850.db2.gz HQMUMSFTQYFUOX-CYBMUJFWSA-N 1 1 382.486 0.476 10 0 GCAEMO COc1c(F)cc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1S(N)(=O)=O ZINC000532527813 1197320602 /nfs/dbraw/zinc/32/06/02/1197320602.db2.gz HZQFLWDFBYBSTP-ZFWWWQNUSA-N 1 1 399.488 0.967 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)NC2CCCCC2)CC1=O ZINC000112885279 1197335320 /nfs/dbraw/zinc/33/53/20/1197335320.db2.gz PSSBCZMXGLSSBC-WBVHZDCISA-N 1 1 378.517 0.884 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[NH+]1CCOCC1 ZINC000332761606 1197343573 /nfs/dbraw/zinc/34/35/73/1197343573.db2.gz ODUOWDOZKKQBKX-QZTJIDSGSA-N 1 1 396.532 0.624 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000332829730 1197344754 /nfs/dbraw/zinc/34/47/54/1197344754.db2.gz PTCWJHPJOGYBOR-SJORKVTESA-N 1 1 382.505 0.378 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@](C)(C(N)=O)c2ccccc2)C1 ZINC000195225427 1197400538 /nfs/dbraw/zinc/40/05/38/1197400538.db2.gz IRUMNCKVNHVQAA-XLIONFOSSA-N 1 1 376.501 0.450 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc3c2ncnc3N(C)C)C1 ZINC000195523793 1197401251 /nfs/dbraw/zinc/40/12/51/1197401251.db2.gz FQSSKHSPMPLCRI-AWEZNQCLSA-N 1 1 375.477 0.365 10 0 GCAEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC2 ZINC000245492546 1197405007 /nfs/dbraw/zinc/40/50/07/1197405007.db2.gz JRUJHGLBDGFDQS-MJBXVCDLSA-N 1 1 377.489 0.185 10 0 GCAEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC2 ZINC000245492545 1197405054 /nfs/dbraw/zinc/40/50/54/1197405054.db2.gz JRUJHGLBDGFDQS-MCIONIFRSA-N 1 1 377.489 0.185 10 0 GCAEMO CC1CCC(NC(=O)CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)CC1 ZINC000533049894 1197428981 /nfs/dbraw/zinc/42/89/81/1197428981.db2.gz COTYQTDXLAQBKH-TUNPWDSISA-N 1 1 397.560 0.855 10 0 GCAEMO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533071818 1197430293 /nfs/dbraw/zinc/43/02/93/1197430293.db2.gz RJDMZOSFXXGNBM-OAHLLOKOSA-N 1 1 392.504 0.369 10 0 GCAEMO C[C@@H]1CN(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000245922036 1197438939 /nfs/dbraw/zinc/43/89/39/1197438939.db2.gz OUUSPOJCMWMMIN-FVGDGBDSSA-N 1 1 386.562 0.583 10 0 GCAEMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533394482 1197449554 /nfs/dbraw/zinc/44/95/54/1197449554.db2.gz XCSVUMSKFKDYKC-AWEZNQCLSA-N 1 1 397.483 0.791 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C(=O)N(C)C)CC2)CC1=O ZINC000246339388 1197464866 /nfs/dbraw/zinc/46/48/66/1197464866.db2.gz BTTTUGVYQFWHKU-IRXDYDNUSA-N 1 1 378.517 0.646 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)C(C)(C)C)CC2)CC1 ZINC000066858639 1197467237 /nfs/dbraw/zinc/46/72/37/1197467237.db2.gz IFTJDSJRKTWCQL-UHFFFAOYSA-N 1 1 380.533 0.942 10 0 GCAEMO C[C@H]1CCCN(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000066903643 1197467281 /nfs/dbraw/zinc/46/72/81/1197467281.db2.gz YYWRBUGMHFJLQW-INIZCTEOSA-N 1 1 386.562 0.839 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3cccnn3)CC2)CC1=O ZINC000246508915 1197471930 /nfs/dbraw/zinc/47/19/30/1197471930.db2.gz UMRDERVEGKZCHA-IRXDYDNUSA-N 1 1 386.500 0.458 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000247124485 1197475168 /nfs/dbraw/zinc/47/51/68/1197475168.db2.gz WOSYAWMEPPRIPP-ZWKOTPCHSA-N 1 1 386.496 0.865 10 0 GCAEMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000248841180 1197479974 /nfs/dbraw/zinc/47/99/74/1197479974.db2.gz NWLMZJSQSSCPNL-RDBSUJKOSA-N 1 1 389.456 0.097 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@H]2c2cccn2C)C1 ZINC000249095119 1197481314 /nfs/dbraw/zinc/48/13/14/1197481314.db2.gz FOEMLYIXCSMNCI-MJGOQNOKSA-N 1 1 378.517 0.871 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249396058 1197482002 /nfs/dbraw/zinc/48/20/02/1197482002.db2.gz RQLYAONEXSFABV-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249396058 1197482003 /nfs/dbraw/zinc/48/20/03/1197482003.db2.gz RQLYAONEXSFABV-MSOLQXFVSA-N 1 1 384.565 0.236 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000261675714 1197511182 /nfs/dbraw/zinc/51/11/82/1197511182.db2.gz BOAWFGRQSYPUMT-GOSISDBHSA-N 1 1 398.463 0.896 10 0 GCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000162284071 1197519482 /nfs/dbraw/zinc/51/94/82/1197519482.db2.gz NPDZPCMNRSVIEV-HXUWFJFHSA-N 1 1 399.539 0.404 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000261939610 1197519637 /nfs/dbraw/zinc/51/96/37/1197519637.db2.gz KJRDWKLPLIVITL-QRWLVFNGSA-N 1 1 386.452 0.889 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000262059891 1197523504 /nfs/dbraw/zinc/52/35/04/1197523504.db2.gz VVBQAORCEIWLFB-OAHLLOKOSA-N 1 1 393.469 0.102 10 0 GCAEMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000262059890 1197523790 /nfs/dbraw/zinc/52/37/90/1197523790.db2.gz VVBQAORCEIWLFB-HNNXBMFYSA-N 1 1 393.469 0.102 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000262249176 1197528261 /nfs/dbraw/zinc/52/82/61/1197528261.db2.gz PVMCKXUNIDKVFL-RBUKOAKNSA-N 1 1 375.517 0.501 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476021665 1197587757 /nfs/dbraw/zinc/58/77/57/1197587757.db2.gz MFHJBJKWWFXOGO-WMZOPIPTSA-N 1 1 395.548 0.339 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CCN3CCOC[C@H]3C2)c2cccs2)CC1 ZINC000542730723 1199019585 /nfs/dbraw/zinc/01/95/85/1199019585.db2.gz WGISWTJVAHEQHX-SJORKVTESA-N 1 1 393.557 0.763 10 0 GCAEMO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921709281 1199059918 /nfs/dbraw/zinc/05/99/18/1199059918.db2.gz YDCPSMPJBOGQCO-UHFFFAOYSA-N 1 1 376.486 0.714 10 0 GCAEMO C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000172605805 1199094576 /nfs/dbraw/zinc/09/45/76/1199094576.db2.gz MRHDIXXKIKMWAC-INIZCTEOSA-N 1 1 376.505 0.934 10 0 GCAEMO Cc1csc([C@H](C)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000672223530 1199163992 /nfs/dbraw/zinc/16/39/92/1199163992.db2.gz QNRHNVOPZFNKHC-LSDHHAIUSA-N 1 1 379.530 0.867 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000672418309 1199231930 /nfs/dbraw/zinc/23/19/30/1199231930.db2.gz GFTMCLOEEGEBGO-HNSVSWJLSA-N 1 1 388.516 0.964 10 0 GCAEMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000672639741 1199295254 /nfs/dbraw/zinc/29/52/54/1199295254.db2.gz FWRMJYBLLYJABN-GOSISDBHSA-N 1 1 399.539 0.620 10 0 GCAEMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000672639741 1199295260 /nfs/dbraw/zinc/29/52/60/1199295260.db2.gz FWRMJYBLLYJABN-GOSISDBHSA-N 1 1 399.539 0.620 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747137 1199325537 /nfs/dbraw/zinc/32/55/37/1199325537.db2.gz XSUTXBKPCSSNKW-RDTXWAMCSA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1cc(C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000672747137 1199325541 /nfs/dbraw/zinc/32/55/41/1199325541.db2.gz XSUTXBKPCSSNKW-RDTXWAMCSA-N 1 1 390.532 0.392 10 0 GCAEMO Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)CC2=O)cc1 ZINC000186635827 1199901758 /nfs/dbraw/zinc/90/17/58/1199901758.db2.gz DVSINOREQBWVMU-FUHWJXTLSA-N 1 1 384.480 0.771 10 0 GCAEMO c1nc(N2CCOCC2)cc(N2CC[NH+](CCOC3CCOCC3)CC2)n1 ZINC000625178001 1199915109 /nfs/dbraw/zinc/91/51/09/1199915109.db2.gz CBXXQCULWDCGDW-UHFFFAOYSA-N 1 1 377.489 0.631 10 0 GCAEMO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C)CC1 ZINC000673875760 1199964646 /nfs/dbraw/zinc/96/46/46/1199964646.db2.gz FLBFGLQISXBHEB-ROUUACIJSA-N 1 1 395.548 0.338 10 0 GCAEMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)C1 ZINC000673884089 1199968068 /nfs/dbraw/zinc/96/80/68/1199968068.db2.gz STOWYPDGQUIFPR-ZWKOTPCHSA-N 1 1 393.532 0.188 10 0 GCAEMO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673883848 1199968172 /nfs/dbraw/zinc/96/81/72/1199968172.db2.gz QFINAGOOZBCIKP-DLBZAZTESA-N 1 1 380.489 0.273 10 0 GCAEMO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673883851 1199968191 /nfs/dbraw/zinc/96/81/91/1199968191.db2.gz QFINAGOOZBCIKP-SJORKVTESA-N 1 1 380.489 0.273 10 0 GCAEMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)C1 ZINC000673884088 1199968277 /nfs/dbraw/zinc/96/82/77/1199968277.db2.gz STOWYPDGQUIFPR-ROUUACIJSA-N 1 1 393.532 0.188 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625518985 1199994663 /nfs/dbraw/zinc/99/46/63/1199994663.db2.gz HQBYOSFGWXZQNU-HNNXBMFYSA-N 1 1 395.548 0.081 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625518985 1199994666 /nfs/dbraw/zinc/99/46/66/1199994666.db2.gz HQBYOSFGWXZQNU-HNNXBMFYSA-N 1 1 395.548 0.081 10 0 GCAEMO O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675651831 1200448530 /nfs/dbraw/zinc/44/85/30/1200448530.db2.gz LHJNBEOKHWZJPT-HZPDHXFCSA-N 1 1 388.534 0.355 10 0 GCAEMO C[C@@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676249543 1200523617 /nfs/dbraw/zinc/52/36/17/1200523617.db2.gz GUXGFKNNWOUNSD-YPMHNXCESA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@@H](NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676249543 1200523625 /nfs/dbraw/zinc/52/36/25/1200523625.db2.gz GUXGFKNNWOUNSD-YPMHNXCESA-N 1 1 380.411 0.948 10 0 GCAEMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332369 1200548025 /nfs/dbraw/zinc/54/80/25/1200548025.db2.gz LVDYVMKTZZLRJT-QAPCUYQASA-N 1 1 395.525 0.923 10 0 GCAEMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332369 1200548031 /nfs/dbraw/zinc/54/80/31/1200548031.db2.gz LVDYVMKTZZLRJT-QAPCUYQASA-N 1 1 395.525 0.923 10 0 GCAEMO CC(=O)N1CSC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000504654919 1200573831 /nfs/dbraw/zinc/57/38/31/1200573831.db2.gz MMDIUCUZFXYCKX-QGZVFWFLSA-N 1 1 390.509 0.368 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434771197 1200682764 /nfs/dbraw/zinc/68/27/64/1200682764.db2.gz ANTWHSOLXUASMJ-UHFFFAOYSA-N 1 1 391.472 0.725 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000626023389 1201045664 /nfs/dbraw/zinc/04/56/64/1201045664.db2.gz GBRGJSXYYCQMGT-GASCZTMLSA-N 1 1 398.548 0.802 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H](C)[N@H+]1CCO ZINC000453946780 1201076025 /nfs/dbraw/zinc/07/60/25/1201076025.db2.gz WYRPEGDQTZKEEB-OKILXGFUSA-N 1 1 378.473 1.358 10 0 GCAEMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H](C)[N@@H+]1CCO ZINC000453946780 1201076034 /nfs/dbraw/zinc/07/60/34/1201076034.db2.gz WYRPEGDQTZKEEB-OKILXGFUSA-N 1 1 378.473 1.358 10 0 GCAEMO CCNC(=O)NC(=O)CN[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000611266251 1201227244 /nfs/dbraw/zinc/22/72/44/1201227244.db2.gz SEFOBUCXHLNANQ-IBGZPJMESA-N 1 1 376.457 0.630 10 0 GCAEMO CCNC(=O)NC(=O)CN[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611266251 1201227247 /nfs/dbraw/zinc/22/72/47/1201227247.db2.gz SEFOBUCXHLNANQ-IBGZPJMESA-N 1 1 376.457 0.630 10 0 GCAEMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000611431233 1201237947 /nfs/dbraw/zinc/23/79/47/1201237947.db2.gz CIBZSUARASTVBY-MRXNPFEDSA-N 1 1 389.456 0.457 10 0 GCAEMO O=C(CN1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1)N1CCCCCC1 ZINC000105167424 1201252668 /nfs/dbraw/zinc/25/26/68/1201252668.db2.gz WYUYEPXPMSGMQX-RBUKOAKNSA-N 1 1 383.533 0.563 10 0 GCAEMO COC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732695821 1201556918 /nfs/dbraw/zinc/55/69/18/1201556918.db2.gz PLASWGVVVLUGOB-HZPDHXFCSA-N 1 1 385.505 0.785 10 0 GCAEMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000823784282 1201608863 /nfs/dbraw/zinc/60/88/63/1201608863.db2.gz IHJLDCVQPRQZKW-VNHYZAJKSA-N 1 1 386.493 0.243 10 0 GCAEMO CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177355916 1201631148 /nfs/dbraw/zinc/63/11/48/1201631148.db2.gz VAUGGDCSCNQDJJ-GFCCVEGCSA-N 1 1 378.498 0.598 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000735198940 1201683308 /nfs/dbraw/zinc/68/33/08/1201683308.db2.gz GPGNINGYRWHUQJ-SANMLTNESA-N 1 1 381.498 0.385 10 0 GCAEMO Cn1ncc(I)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000826653201 1201686179 /nfs/dbraw/zinc/68/61/79/1201686179.db2.gz LOQZRIYTBCOGDQ-UHFFFAOYSA-N 1 1 386.259 0.442 10 0 GCAEMO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000827720758 1201707319 /nfs/dbraw/zinc/70/73/19/1201707319.db2.gz HIAQCZIRXSRSHM-ULQDDVLXSA-N 1 1 385.530 0.656 10 0 GCAEMO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(C)s1 ZINC000828635179 1201717911 /nfs/dbraw/zinc/71/79/11/1201717911.db2.gz FPSMMCRRTDTFLU-SWLSCSKDSA-N 1 1 375.516 0.215 10 0 GCAEMO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)c1 ZINC000828636791 1201718820 /nfs/dbraw/zinc/71/88/20/1201718820.db2.gz SSPJGEFJBUYECC-QFBILLFUSA-N 1 1 395.525 0.591 10 0 GCAEMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1csc(I)c1 ZINC000828697713 1201719094 /nfs/dbraw/zinc/71/90/94/1201719094.db2.gz XUJQCLXEXQFMDR-NSHDSACASA-N 1 1 382.223 0.433 10 0 GCAEMO C[C@@H]1CCCCN1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066903593 1201920677 /nfs/dbraw/zinc/92/06/77/1201920677.db2.gz IURCWTIEBAEQRN-MRXNPFEDSA-N 1 1 386.562 0.982 10 0 GCAEMO C[C@H]1CCCCN1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066903594 1201920716 /nfs/dbraw/zinc/92/07/16/1201920716.db2.gz IURCWTIEBAEQRN-INIZCTEOSA-N 1 1 386.562 0.982 10 0 GCAEMO COc1cc2c(cc1OC)CN(CC(=O)NC1CC[NH+](CC(N)=O)CC1)CC2 ZINC000769470113 1202058819 /nfs/dbraw/zinc/05/88/19/1202058819.db2.gz KIQYNUXPCNLQIN-UHFFFAOYSA-N 1 1 390.484 0.128 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000771598999 1202150180 /nfs/dbraw/zinc/15/01/80/1202150180.db2.gz ZCJHYJMZLJEXRZ-JLTOFOAXSA-N 1 1 388.468 0.933 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000771598999 1202150185 /nfs/dbraw/zinc/15/01/85/1202150185.db2.gz ZCJHYJMZLJEXRZ-JLTOFOAXSA-N 1 1 388.468 0.933 10 0 GCAEMO COC(=O)[C@@]1(NC(=O)CN2CCOCC2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790944632 1205472163 /nfs/dbraw/zinc/47/21/63/1205472163.db2.gz IUOLLLVLKLETSH-HXUWFJFHSA-N 1 1 389.452 0.169 10 0 GCAEMO CC(=O)N1CCC[C@H](C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000791849033 1205481397 /nfs/dbraw/zinc/48/13/97/1205481397.db2.gz CYBDZVUXHLISQF-DLBZAZTESA-N 1 1 383.489 0.261 10 0 GCAEMO CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000747090208 1205494266 /nfs/dbraw/zinc/49/42/66/1205494266.db2.gz IGDOMFVZICODLE-QFBILLFUSA-N 1 1 383.489 0.261 10 0 GCAEMO COc1ccc(Cl)cc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793564119 1205500300 /nfs/dbraw/zinc/50/03/00/1205500300.db2.gz GFEMTDRLUISJBM-LSDHHAIUSA-N 1 1 381.860 0.944 10 0 GCAEMO Cc1cc(C[C@H](C)NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)[nH]n1 ZINC000793810387 1205507317 /nfs/dbraw/zinc/50/73/17/1205507317.db2.gz MXQAMTYROXSVLA-LBPRGKRZSA-N 1 1 381.440 0.971 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000805606741 1205540407 /nfs/dbraw/zinc/54/04/07/1205540407.db2.gz MFBWRPAYFNLNMC-DXPJPUQTSA-N 1 1 379.526 0.994 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000805606741 1205540409 /nfs/dbraw/zinc/54/04/09/1205540409.db2.gz MFBWRPAYFNLNMC-DXPJPUQTSA-N 1 1 379.526 0.994 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000747380728 1205577132 /nfs/dbraw/zinc/57/71/32/1205577132.db2.gz VYIHRUWHNXBQPV-INIZCTEOSA-N 1 1 376.482 0.934 10 0 GCAEMO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000747378913 1205577355 /nfs/dbraw/zinc/57/73/55/1205577355.db2.gz DAYFDBAIKATAKW-KRWDZBQOSA-N 1 1 390.509 0.863 10 0 GCAEMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC12OCCO2 ZINC000773749901 1205788898 /nfs/dbraw/zinc/78/88/98/1205788898.db2.gz DLPNWPNVRUVQGM-INIZCTEOSA-N 1 1 375.473 0.648 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+]1CCO ZINC000188724642 530179004 /nfs/dbraw/zinc/17/90/04/530179004.db2.gz LLDCQDXGSCNBSG-SNVBAGLBSA-N 1 1 375.210 0.825 10 0 GCAEMO C[C@@H]1CN(C(=O)c2cncc(I)c2)CC[N@H+]1CCO ZINC000188724642 530179007 /nfs/dbraw/zinc/17/90/07/530179007.db2.gz LLDCQDXGSCNBSG-SNVBAGLBSA-N 1 1 375.210 0.825 10 0 GCAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1n[nH]c2ccc(I)cc21 ZINC000262270966 530212838 /nfs/dbraw/zinc/21/28/38/530212838.db2.gz MXQPQTWPNOCBSE-RDDDGLTNSA-N 1 1 386.193 0.478 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000127282623 530281611 /nfs/dbraw/zinc/28/16/11/530281611.db2.gz NZTATPJVQNRLKV-PWSUYJOCSA-N 1 1 387.278 0.488 10 0 GCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000190106430 530386090 /nfs/dbraw/zinc/38/60/90/530386090.db2.gz HISYGBVMSGYGAP-ZYHUDNBSSA-N 1 1 397.273 0.781 10 0 GCAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000408114741 530405541 /nfs/dbraw/zinc/40/55/41/530405541.db2.gz IKDUTTSJBQMBEE-SECBINFHSA-N 1 1 376.276 0.873 10 0 GCAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000408114741 530405544 /nfs/dbraw/zinc/40/55/44/530405544.db2.gz IKDUTTSJBQMBEE-SECBINFHSA-N 1 1 376.276 0.873 10 0 GCAEMO C[N@H+]1CCO[C@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)C[C@@H]21 ZINC000408372424 530510209 /nfs/dbraw/zinc/51/02/09/530510209.db2.gz BYZNCXAAGDLHMT-RYUDHWBXSA-N 1 1 394.266 0.755 10 0 GCAEMO C[C@H]1C[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[N@H+]1C ZINC000332882292 530524788 /nfs/dbraw/zinc/52/47/88/530524788.db2.gz HWBPDUZMNJKCQK-JSGCOSHPSA-N 1 1 387.527 0.982 10 0 GCAEMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072067277 530550696 /nfs/dbraw/zinc/55/06/96/530550696.db2.gz YZMMZQILEGKUJC-BBWFWOEESA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072067277 530550697 /nfs/dbraw/zinc/55/06/97/530550697.db2.gz YZMMZQILEGKUJC-BBWFWOEESA-N 1 1 376.567 0.688 10 0 GCAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000186118691 530569778 /nfs/dbraw/zinc/56/97/78/530569778.db2.gz QAAZDHGKNUFWQQ-NSHDSACASA-N 1 1 377.388 0.689 10 0 GCAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000186126744 530569920 /nfs/dbraw/zinc/56/99/20/530569920.db2.gz XORWVXYHFBVHKV-SNVBAGLBSA-N 1 1 377.388 0.689 10 0 GCAEMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330057183 530624960 /nfs/dbraw/zinc/62/49/60/530624960.db2.gz XBBODSMZGRBBJE-OAHLLOKOSA-N 1 1 381.564 0.309 10 0 GCAEMO Cn1ncc(Br)c1C[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000487278753 530811746 /nfs/dbraw/zinc/81/17/46/530811746.db2.gz NQPROCHPWKFLDP-UHFFFAOYSA-N 1 1 378.252 0.380 10 0 GCAEMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173090731 530848001 /nfs/dbraw/zinc/84/80/01/530848001.db2.gz IDONZTIHZKTWHG-YESZJQIVSA-N 1 1 376.567 0.688 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173090731 530848003 /nfs/dbraw/zinc/84/80/03/530848003.db2.gz IDONZTIHZKTWHG-YESZJQIVSA-N 1 1 376.567 0.688 10 0 GCAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364762123 530861848 /nfs/dbraw/zinc/86/18/48/530861848.db2.gz YFBORQUEZZGORN-QLFBSQMISA-N 1 1 375.535 0.614 10 0 GCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC2)CCO1 ZINC000372071906 530988580 /nfs/dbraw/zinc/98/85/80/530988580.db2.gz VRXFMFRXKPGXCX-ZFWWWQNUSA-N 1 1 375.535 0.662 10 0 GCAEMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261899524 530990770 /nfs/dbraw/zinc/99/07/70/530990770.db2.gz GJWNUCUFRADSDI-JSGCOSHPSA-N 1 1 380.495 0.983 10 0 GCAEMO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000262763344 531063129 /nfs/dbraw/zinc/06/31/29/531063129.db2.gz KBRDUKVKXPQQGJ-SMDDNHRTSA-N 1 1 391.515 0.733 10 0 GCAEMO O=c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nc2ccc(Br)cn12 ZINC000543559990 531074166 /nfs/dbraw/zinc/07/41/66/531074166.db2.gz VFAUBJHCOKELOG-AWEZNQCLSA-N 1 1 379.258 0.973 10 0 GCAEMO O=c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)nc2ccc(Br)cn12 ZINC000543559990 531074168 /nfs/dbraw/zinc/07/41/68/531074168.db2.gz VFAUBJHCOKELOG-AWEZNQCLSA-N 1 1 379.258 0.973 10 0 GCAEMO OCC[C@H]1CSCCN1CC1(C[N@H+]2CCSC[C@@H]2CCO)COC1 ZINC000543856973 531076959 /nfs/dbraw/zinc/07/69/59/531076959.db2.gz QUQHKQURGMWYLC-HOTGVXAUSA-N 1 1 376.588 0.603 10 0 GCAEMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000551401523 531137007 /nfs/dbraw/zinc/13/70/07/531137007.db2.gz FZWATFMMAGMGKJ-UHFFFAOYSA-N 1 1 379.408 0.854 10 0 GCAEMO CC[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)C1 ZINC000672181184 531167831 /nfs/dbraw/zinc/16/78/31/531167831.db2.gz XKJMCEKMUFROLE-GFCCVEGCSA-N 1 1 390.531 0.481 10 0 GCAEMO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275294504 570689526 /nfs/dbraw/zinc/68/95/26/570689526.db2.gz MCZCMIQDAYSDGV-NSHDSACASA-N 1 1 398.872 0.942 10 0 GCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000163474290 639184694 /nfs/dbraw/zinc/18/46/94/639184694.db2.gz XAQAWCPLRAFQQF-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000163474290 639184701 /nfs/dbraw/zinc/18/47/01/639184701.db2.gz XAQAWCPLRAFQQF-GHMZBOCLSA-N 1 1 385.262 0.696 10 0 GCAEMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000764445492 640646045 /nfs/dbraw/zinc/64/60/45/640646045.db2.gz BDTNHAPVVPCTBR-LCYFTJDESA-N 1 1 378.516 0.721 10 0 GCAEMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000764445492 640646050 /nfs/dbraw/zinc/64/60/50/640646050.db2.gz BDTNHAPVVPCTBR-LCYFTJDESA-N 1 1 378.516 0.721 10 0 GCAEMO COCC[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000048428420 1192186105 /nfs/dbraw/zinc/18/61/05/1192186105.db2.gz QCRJOXSOUJJIFH-UHFFFAOYSA-N 1 1 381.498 0.922 10 0 GCAEMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000278894792 1192339067 /nfs/dbraw/zinc/33/90/67/1192339067.db2.gz FBUNUGHLIKXTQX-DLBZAZTESA-N 1 1 388.516 0.784 10 0 GCAEMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000278894795 1192339176 /nfs/dbraw/zinc/33/91/76/1192339176.db2.gz FBUNUGHLIKXTQX-IRXDYDNUSA-N 1 1 388.516 0.784 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000637012621 1192365922 /nfs/dbraw/zinc/36/59/22/1192365922.db2.gz OVKQHEWHPQZNJW-CVEARBPZSA-N 1 1 396.532 0.556 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(S(C)(=O)=O)CCC3)CC2)CC1 ZINC000408311724 1192414573 /nfs/dbraw/zinc/41/45/73/1192414573.db2.gz ZVUXXDLVHPSPFI-UHFFFAOYSA-N 1 1 385.530 0.356 10 0 GCAEMO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000279273040 1192497938 /nfs/dbraw/zinc/49/79/38/1192497938.db2.gz JKKIQFYSEFNLJS-KBPBESRZSA-N 1 1 383.493 0.254 10 0 GCAEMO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000279273040 1192497944 /nfs/dbraw/zinc/49/79/44/1192497944.db2.gz JKKIQFYSEFNLJS-KBPBESRZSA-N 1 1 383.493 0.254 10 0 GCAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC[N@@H+]1CCO ZINC000187277039 1192522068 /nfs/dbraw/zinc/52/20/68/1192522068.db2.gz QQELANBIAHRYSE-YLJYHZDGSA-N 1 1 396.491 0.948 10 0 GCAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC[N@H+]1CCO ZINC000187277039 1192522070 /nfs/dbraw/zinc/52/20/70/1192522070.db2.gz QQELANBIAHRYSE-YLJYHZDGSA-N 1 1 396.491 0.948 10 0 GCAEMO Cc1c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cccc1S(N)(=O)=O ZINC000408376727 1192572697 /nfs/dbraw/zinc/57/26/97/1192572697.db2.gz XSMPVLQLJBXVRP-CYBMUJFWSA-N 1 1 381.498 0.968 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000332762498 1192900759 /nfs/dbraw/zinc/90/07/59/1192900759.db2.gz RNBFCPZHFUKMMQ-MSOLQXFVSA-N 1 1 396.532 0.624 10 0 GCAEMO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000332831045 1192906434 /nfs/dbraw/zinc/90/64/34/1192906434.db2.gz RPBNXQSSMMIVQS-FUHWJXTLSA-N 1 1 394.564 0.007 10 0 GCAEMO C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1 ZINC000547699053 1184343158 /nfs/dbraw/zinc/34/31/58/1184343158.db2.gz WRZUKRMXUPYGAG-INIZCTEOSA-N 1 1 383.489 0.265 10 0 GCAEMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000154281304 1184373955 /nfs/dbraw/zinc/37/39/55/1184373955.db2.gz XDCAHXRXYZBBEE-RBUKOAKNSA-N 1 1 382.464 0.811 10 0 GCAEMO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510215463 1184614511 /nfs/dbraw/zinc/61/45/11/1184614511.db2.gz SZJWNLFPRVXIGX-OAHLLOKOSA-N 1 1 389.518 0.192 10 0 GCAEMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539079 1184703035 /nfs/dbraw/zinc/70/30/35/1184703035.db2.gz CRUJJZZYIMENIG-GDBMZVCRSA-N 1 1 385.472 0.727 10 0 GCAEMO CNC(=O)c1ccn([C@@H]2CCC[N@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)n1 ZINC000275539079 1184703040 /nfs/dbraw/zinc/70/30/40/1184703040.db2.gz CRUJJZZYIMENIG-GDBMZVCRSA-N 1 1 385.472 0.727 10 0 GCAEMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139439729 1184877376 /nfs/dbraw/zinc/87/73/76/1184877376.db2.gz GULBLFBNCRYHLT-AWEZNQCLSA-N 1 1 385.490 0.402 10 0 GCAEMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275660636 1184881017 /nfs/dbraw/zinc/88/10/17/1184881017.db2.gz LAXSBMFLNMPJPY-HZPDHXFCSA-N 1 1 376.505 0.780 10 0 GCAEMO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000548026050 1184984937 /nfs/dbraw/zinc/98/49/37/1184984937.db2.gz SJLWANXNTAXCSS-ZOBUZTSGSA-N 1 1 397.545 1.562 10 0 GCAEMO Cc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000328690532 1185000370 /nfs/dbraw/zinc/00/03/70/1185000370.db2.gz BSRMOVDFADACFO-INIZCTEOSA-N 1 1 399.499 0.918 10 0 GCAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000580174376 1185104364 /nfs/dbraw/zinc/10/43/64/1185104364.db2.gz LSXVBXNXZYQYGV-OAHLLOKOSA-N 1 1 377.464 0.717 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000155689786 1185180572 /nfs/dbraw/zinc/18/05/72/1185180572.db2.gz YQTKUQSWXHKARN-CQSZACIVSA-N 1 1 385.472 0.070 10 0 GCAEMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(Cc3ccccc3)CC1)c(=O)n2C ZINC000125957892 1185280190 /nfs/dbraw/zinc/28/01/90/1185280190.db2.gz GOPRQVYOMFEQHB-UHFFFAOYSA-N 1 1 396.495 0.642 10 0 GCAEMO CN(C(=O)[C@](C)(O)Cn1ccccc1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684141020 1185487969 /nfs/dbraw/zinc/48/79/69/1185487969.db2.gz OTGABKUUOOEJKC-YLJYHZDGSA-N 1 1 376.501 0.226 10 0 GCAEMO CN(C(=O)[C@](C)(O)Cn1ccccc1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684141020 1185487972 /nfs/dbraw/zinc/48/79/72/1185487972.db2.gz OTGABKUUOOEJKC-YLJYHZDGSA-N 1 1 376.501 0.226 10 0 GCAEMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000067702462 1185576673 /nfs/dbraw/zinc/57/66/73/1185576673.db2.gz JKTQSOQRTVRLNY-UILSQRGWSA-N 1 1 390.484 0.197 10 0 GCAEMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581447392 1185697322 /nfs/dbraw/zinc/69/73/22/1185697322.db2.gz QIIGDQSXFJNVSZ-CRAIPNDOSA-N 1 1 385.468 0.442 10 0 GCAEMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581447392 1185697329 /nfs/dbraw/zinc/69/73/29/1185697329.db2.gz QIIGDQSXFJNVSZ-CRAIPNDOSA-N 1 1 385.468 0.442 10 0 GCAEMO Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2=O)n(C)n1 ZINC000276617331 1185929445 /nfs/dbraw/zinc/92/94/45/1185929445.db2.gz JPWZUELTPIIBDH-GJZGRUSLSA-N 1 1 385.472 0.982 10 0 GCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000328858291 1185985604 /nfs/dbraw/zinc/98/56/04/1185985604.db2.gz YGHBQAGAQDNZIU-INIZCTEOSA-N 1 1 384.484 0.420 10 0 GCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000158434004 1186502651 /nfs/dbraw/zinc/50/26/51/1186502651.db2.gz LETKTZCTQWQRKM-GFCCVEGCSA-N 1 1 377.367 0.299 10 0 GCAEMO C[C@@H]1C[C@@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000158451555 1186504970 /nfs/dbraw/zinc/50/49/70/1186504970.db2.gz NTGOMFNYQWWDJB-SJORKVTESA-N 1 1 388.516 0.847 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccccc1 ZINC000685005491 1186623164 /nfs/dbraw/zinc/62/31/64/1186623164.db2.gz WXDYCENQAROGIZ-DODZYUBVSA-N 1 1 375.469 0.452 10 0 GCAEMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccccc1 ZINC000685005493 1186623434 /nfs/dbraw/zinc/62/34/34/1186623434.db2.gz WXDYCENQAROGIZ-MJQMVNBJSA-N 1 1 375.469 0.452 10 0 GCAEMO COc1c(F)cc(CC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1S(N)(=O)=O ZINC000511211626 1186719560 /nfs/dbraw/zinc/71/95/60/1186719560.db2.gz PUCWVPYESKVSSD-UHFFFAOYSA-N 1 1 399.448 0.140 10 0 GCAEMO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458440822 1186802829 /nfs/dbraw/zinc/80/28/29/1186802829.db2.gz RPVMYRSBBSJIAJ-SFHVURJKSA-N 1 1 395.548 0.077 10 0 GCAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(CCOC)nn2C)CC1=O ZINC000156503361 1186861466 /nfs/dbraw/zinc/86/14/66/1186861466.db2.gz JBUGUOZVKTWMGW-GDBMZVCRSA-N 1 1 377.489 0.880 10 0 GCAEMO O=S(=O)(N1CCOCC1)N1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000583847307 1186951569 /nfs/dbraw/zinc/95/15/69/1186951569.db2.gz HMYKEBBEIAIOQT-UHFFFAOYSA-N 1 1 395.525 0.749 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)N2CCN(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795606 1186963201 /nfs/dbraw/zinc/96/32/01/1186963201.db2.gz LQMXEUKAWJZZJB-OAQYLSRUSA-N 1 1 388.512 0.558 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)N2CCN(C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795606 1186963204 /nfs/dbraw/zinc/96/32/04/1186963204.db2.gz LQMXEUKAWJZZJB-OAQYLSRUSA-N 1 1 388.512 0.558 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)NC(=O)NC2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796693 1186967987 /nfs/dbraw/zinc/96/79/87/1186967987.db2.gz SCXMTQDQDHBDAE-HXUWFJFHSA-N 1 1 388.468 0.772 10 0 GCAEMO COC(=O)[C@@]1(NCC(=O)NC(=O)NC2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796693 1186967990 /nfs/dbraw/zinc/96/79/90/1186967990.db2.gz SCXMTQDQDHBDAE-HXUWFJFHSA-N 1 1 388.468 0.772 10 0 GCAEMO CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)C2)CC1 ZINC000584189192 1187012793 /nfs/dbraw/zinc/01/27/93/1187012793.db2.gz OYHIQMLSYWXUKT-CTWPCTMYSA-N 1 1 393.576 0.461 10 0 GCAEMO c1cnc(-c2nnc(N3CC[NH+]([C@@H]4CCOC4)CC3)n2C[C@H]2CCCO2)nc1 ZINC000611877736 1187075707 /nfs/dbraw/zinc/07/57/07/1187075707.db2.gz AQPFGYOLEACLMC-HZPDHXFCSA-N 1 1 385.472 0.825 10 0 GCAEMO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C12CCOCC2 ZINC000685467376 1187132307 /nfs/dbraw/zinc/13/23/07/1187132307.db2.gz PKGPGCZSBNWXIR-VVLHAWIVSA-N 1 1 379.501 0.772 10 0 GCAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)cn1 ZINC000065727953 1187230214 /nfs/dbraw/zinc/23/02/14/1187230214.db2.gz KXVJLAPLYWSFGL-UHFFFAOYSA-N 1 1 378.396 0.336 10 0 GCAEMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)CC1 ZINC000328761877 1187393714 /nfs/dbraw/zinc/39/37/14/1187393714.db2.gz YIMVUJBXCMLXJY-UHFFFAOYSA-N 1 1 397.479 0.409 10 0 GCAEMO C(C1CC1)n1c([C@@H]2COCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000612886738 1187610478 /nfs/dbraw/zinc/61/04/78/1187610478.db2.gz NEZPTYZMKLYLBR-SJORKVTESA-N 1 1 377.489 0.935 10 0 GCAEMO CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000376115029 1187613141 /nfs/dbraw/zinc/61/31/41/1187613141.db2.gz MZCKMIRKUCGKDB-KRWDZBQOSA-N 1 1 380.514 0.834 10 0 GCAEMO CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000376115029 1187613145 /nfs/dbraw/zinc/61/31/45/1187613145.db2.gz MZCKMIRKUCGKDB-KRWDZBQOSA-N 1 1 380.514 0.834 10 0 GCAEMO CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000472528506 1187704001 /nfs/dbraw/zinc/70/40/01/1187704001.db2.gz LPQOEXLGKQYVBR-SJORKVTESA-N 1 1 388.468 0.696 10 0 GCAEMO NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000332779745 1187768389 /nfs/dbraw/zinc/76/83/89/1187768389.db2.gz RFWFWAMCALUNHL-BZUAXINKSA-N 1 1 380.489 0.910 10 0 GCAEMO CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000332796350 1187777313 /nfs/dbraw/zinc/77/73/13/1187777313.db2.gz JDYBQRNPILHYSZ-ARFHVFGLSA-N 1 1 385.530 0.260 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000175724355 1187815763 /nfs/dbraw/zinc/81/57/63/1187815763.db2.gz BJZQPUYKXKGHEM-IAGOWNOFSA-N 1 1 390.594 0.825 10 0 GCAEMO C[C@@H]1C[N@H+](CCCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 ZINC000176699176 1187874927 /nfs/dbraw/zinc/87/49/27/1187874927.db2.gz FEPOXCQBLHQLRH-GASCZTMLSA-N 1 1 388.468 0.695 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCN(C)S3(=O)=O)cc2)CC1 ZINC000648346783 1187959552 /nfs/dbraw/zinc/95/95/52/1187959552.db2.gz FOELHIHDXWLBFE-QGZVFWFLSA-N 1 1 394.497 0.323 10 0 GCAEMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@H](CC(N)=O)C2)CC1 ZINC000376632373 1188013946 /nfs/dbraw/zinc/01/39/46/1188013946.db2.gz MEARBMHWUVBGAE-OAHLLOKOSA-N 1 1 397.520 0.836 10 0 GCAEMO Cc1ccnc(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000363800222 1189478769 /nfs/dbraw/zinc/47/87/69/1189478769.db2.gz QRHIBNSXVPQQIQ-UHFFFAOYSA-N 1 1 383.518 0.362 10 0 GCAEMO CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cc2C1 ZINC000659969205 1189493535 /nfs/dbraw/zinc/49/35/35/1189493535.db2.gz DHMSDHNFWIYCPL-KRWDZBQOSA-N 1 1 381.498 0.674 10 0 GCAEMO CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2C1 ZINC000659969205 1189493538 /nfs/dbraw/zinc/49/35/38/1189493538.db2.gz DHMSDHNFWIYCPL-KRWDZBQOSA-N 1 1 381.498 0.674 10 0 GCAEMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000363883233 1189548633 /nfs/dbraw/zinc/54/86/33/1189548633.db2.gz CSKVTASLFYOUGX-IBGZPJMESA-N 1 1 391.491 0.674 10 0 GCAEMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187672637 1189650298 /nfs/dbraw/zinc/65/02/98/1189650298.db2.gz SUSHTLJXYKJCQW-IRXDYDNUSA-N 1 1 376.501 0.849 10 0 GCAEMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187672637 1189650304 /nfs/dbraw/zinc/65/03/04/1189650304.db2.gz SUSHTLJXYKJCQW-IRXDYDNUSA-N 1 1 376.501 0.849 10 0 GCAEMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]1O ZINC000408094027 1189762258 /nfs/dbraw/zinc/76/22/58/1189762258.db2.gz XVAYXWGTELCUQC-GDBMZVCRSA-N 1 1 399.488 0.361 10 0 GCAEMO CC(=O)N1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000408099057 1189785636 /nfs/dbraw/zinc/78/56/36/1189785636.db2.gz XNSKFESTEHCIKD-UHFFFAOYSA-N 1 1 378.498 0.587 10 0 GCAEMO CC(=O)N1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000408099057 1189785640 /nfs/dbraw/zinc/78/56/40/1189785640.db2.gz XNSKFESTEHCIKD-UHFFFAOYSA-N 1 1 378.498 0.587 10 0 GCAEMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408136505 1189934421 /nfs/dbraw/zinc/93/44/21/1189934421.db2.gz FHOVUFDGQNFXAG-INIZCTEOSA-N 1 1 393.532 0.583 10 0 GCAEMO c1cn(C[C@@H]2CCN(CC3(C[N@@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996327 /nfs/dbraw/zinc/99/63/27/1189996327.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@@H]2CCN(CC3(C[N@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996331 /nfs/dbraw/zinc/99/63/31/1189996331.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@@H]2CC[N@@H+](CC3(CN4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996334 /nfs/dbraw/zinc/99/63/34/1189996334.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 1 1 386.504 0.230 10 0 GCAEMO c1cn(C[C@@H]2CC[N@H+](CC3(CN4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996336 /nfs/dbraw/zinc/99/63/36/1189996336.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 1 1 386.504 0.230 10 0 GCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H](C)C1 ZINC000249136443 1193766514 /nfs/dbraw/zinc/76/65/14/1193766514.db2.gz DXFWPGYSZOXGOS-BLLLJJGKSA-N 1 1 389.435 0.929 10 0 GCAEMO Cc1csc(NC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)n1 ZINC000549881974 1193780444 /nfs/dbraw/zinc/78/04/44/1193780444.db2.gz DJWLFRREHKLZIQ-UHFFFAOYSA-N 1 1 395.529 0.693 10 0 GCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000333302412 1193892267 /nfs/dbraw/zinc/89/22/67/1193892267.db2.gz TXHADLHGBIEKKL-KRWDZBQOSA-N 1 1 390.484 0.970 10 0 GCAEMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCCCS3(=O)=O)c2)CC1 ZINC000273456099 1194565691 /nfs/dbraw/zinc/56/56/91/1194565691.db2.gz HYHRCLJXMWHIJO-KRWDZBQOSA-N 1 1 393.509 0.909 10 0 GCAEMO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504438334 1194794952 /nfs/dbraw/zinc/79/49/52/1194794952.db2.gz JUESMOMLNGCBBJ-BBRMVZONSA-N 1 1 394.497 0.531 10 0 GCAEMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000434791148 1194869811 /nfs/dbraw/zinc/86/98/11/1194869811.db2.gz AZYFHBWWSROOKF-KRWDZBQOSA-N 1 1 393.831 0.442 10 0 GCAEMO O=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366626481 1194930841 /nfs/dbraw/zinc/93/08/41/1194930841.db2.gz BNKMFJDITSWXKA-IRXDYDNUSA-N 1 1 375.473 0.581 10 0 GCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246707783 1194946912 /nfs/dbraw/zinc/94/69/12/1194946912.db2.gz KNIHXPFNYJCCFH-BJJXKVORSA-N 1 1 399.561 0.892 10 0 GCAEMO O=C(NCCNc1cc[nH+]cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000436763073 1195032681 /nfs/dbraw/zinc/03/26/81/1195032681.db2.gz VYVYVJPVXYDNLK-UHFFFAOYSA-N 1 1 390.465 0.836 10 0 GCAEMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000516335264 1195043804 /nfs/dbraw/zinc/04/38/04/1195043804.db2.gz GWSJFPRWVOBITP-BBRMVZONSA-N 1 1 390.488 0.249 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(CC[NH+](C)C)CC2)cc1F ZINC000516598137 1195075042 /nfs/dbraw/zinc/07/50/42/1195075042.db2.gz SILGZQCGBJJNMX-UHFFFAOYSA-N 1 1 399.488 0.508 10 0 GCAEMO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000505979686 1195075919 /nfs/dbraw/zinc/07/59/19/1195075919.db2.gz UIYWVOTWCFWAHR-CQSZACIVSA-N 1 1 389.460 0.093 10 0 GCAEMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2C)c1 ZINC000438431513 1195216535 /nfs/dbraw/zinc/21/65/35/1195216535.db2.gz RHUOYXKWJVWFQC-UHFFFAOYSA-N 1 1 393.469 0.587 10 0 GCAEMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCc2nc3ccccc3oc2=O)C1 ZINC000517851461 1195224371 /nfs/dbraw/zinc/22/43/71/1195224371.db2.gz RBPPCUFDICPBLH-AWEZNQCLSA-N 1 1 386.452 0.824 10 0 GCAEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000518651217 1195315798 /nfs/dbraw/zinc/31/57/98/1195315798.db2.gz LQSLLGRAWNWAOL-HNNXBMFYSA-N 1 1 381.498 0.779 10 0 GCAEMO COCCOCC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506604811 1195327851 /nfs/dbraw/zinc/32/78/51/1195327851.db2.gz ZJPZYTCEVBYVHQ-KRWDZBQOSA-N 1 1 379.505 0.505 10 0 GCAEMO Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@@H](O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506632531 1195338148 /nfs/dbraw/zinc/33/81/48/1195338148.db2.gz BXXIELGHWMWJQP-MSOLQXFVSA-N 1 1 393.532 0.627 10 0 GCAEMO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)CN1CC[NH+](C)CC1 ZINC000440062140 1195381376 /nfs/dbraw/zinc/38/13/76/1195381376.db2.gz LPFOXEMGKUMLQB-HNNXBMFYSA-N 1 1 387.484 0.362 10 0 GCAEMO COc1ccc(NC(=O)CN2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N(C)C ZINC000299330391 1195395124 /nfs/dbraw/zinc/39/51/24/1195395124.db2.gz KZPJEIRTOIKEPN-UHFFFAOYSA-N 1 1 396.513 0.664 10 0 GCAEMO COC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000550095866 1195434726 /nfs/dbraw/zinc/43/47/26/1195434726.db2.gz IDFFELFCOIESID-QZTJIDSGSA-N 1 1 377.485 0.963 10 0 GCAEMO COc1ccc([C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c2nccn2C)cc1 ZINC000550259348 1195472046 /nfs/dbraw/zinc/47/20/46/1195472046.db2.gz QCIHDLHBMOSPDV-QAPCUYQASA-N 1 1 397.479 0.987 10 0 GCAEMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)CCCO)CC1 ZINC000440944577 1195590671 /nfs/dbraw/zinc/59/06/71/1195590671.db2.gz WXWWSWYRMDIEAR-UHFFFAOYSA-N 1 1 376.501 0.646 10 0 GCAEMO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000075314686 1195752253 /nfs/dbraw/zinc/75/22/53/1195752253.db2.gz OVGQMNJSOBTAQA-CCNLRDMRSA-N 1 1 377.533 0.996 10 0 GCAEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000441599700 1195792909 /nfs/dbraw/zinc/79/29/09/1195792909.db2.gz DRIYWIPYXBKYLF-UHFFFAOYSA-N 1 1 380.493 0.788 10 0 GCAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000193312190 1195811928 /nfs/dbraw/zinc/81/19/28/1195811928.db2.gz WFHFHIOLSSCERD-NSHDSACASA-N 1 1 392.403 0.685 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000550457413 1195979146 /nfs/dbraw/zinc/97/91/46/1195979146.db2.gz JQGSPFXSZVNMQB-MRXNPFEDSA-N 1 1 377.489 0.589 10 0 GCAEMO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000051382422 1196081267 /nfs/dbraw/zinc/08/12/67/1196081267.db2.gz ZDJUPURVRDERCF-VQIMIIECSA-N 1 1 394.491 0.463 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000550576557 1196091850 /nfs/dbraw/zinc/09/18/50/1196091850.db2.gz HWRUXESCGRPIEL-SOUVJXGZSA-N 1 1 382.505 0.070 10 0 GCAEMO CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000550576557 1196091852 /nfs/dbraw/zinc/09/18/52/1196091852.db2.gz HWRUXESCGRPIEL-SOUVJXGZSA-N 1 1 382.505 0.070 10 0 GCAEMO C[NH+](C)CCN1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000114142870 1196095525 /nfs/dbraw/zinc/09/55/25/1196095525.db2.gz PIVPQQIKAAJWCL-UHFFFAOYSA-N 1 1 387.484 0.080 10 0 GCAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000474297614 1196107285 /nfs/dbraw/zinc/10/72/85/1196107285.db2.gz DMXCDZSGUYZSAF-OXJNMPFZSA-N 1 1 396.532 0.909 10 0 GCAEMO CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@]2(CCOC2)O1 ZINC000474357620 1196111452 /nfs/dbraw/zinc/11/14/52/1196111452.db2.gz QNWLILQBDYBNLC-DNVCBOLYSA-N 1 1 382.505 0.553 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)[C@H]2C1 ZINC000329377184 1196190411 /nfs/dbraw/zinc/19/04/11/1196190411.db2.gz LXPUKMCKQJVRIT-ZOFXXKQRSA-N 1 1 377.485 0.872 10 0 GCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329441660 1196196542 /nfs/dbraw/zinc/19/65/42/1196196542.db2.gz NDPRZTYRBLAKMN-YESZJQIVSA-N 1 1 377.485 0.875 10 0 GCAEMO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1C ZINC000329446415 1196196912 /nfs/dbraw/zinc/19/69/12/1196196912.db2.gz BOIZJJBZOLPFSH-YQQAZPJKSA-N 1 1 378.521 0.656 10 0 GCAEMO Cn1cc[nH+]c1N1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000329527400 1196203382 /nfs/dbraw/zinc/20/33/82/1196203382.db2.gz RZZGUNFAZSUWFT-UHFFFAOYSA-N 1 1 388.472 0.666 10 0 GCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)[C@H]2C1 ZINC000329530029 1196203394 /nfs/dbraw/zinc/20/33/94/1196203394.db2.gz IOCCFASUDCDFIZ-DLBZAZTESA-N 1 1 381.498 0.872 10 0 GCAEMO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccnc2C(=O)c2cccnc2)C1 ZINC000191984818 1196210912 /nfs/dbraw/zinc/21/09/12/1196210912.db2.gz ULYNLJVYGYFMPN-QGZVFWFLSA-N 1 1 385.468 0.982 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccnc2C(=O)c2cccnc2)C1 ZINC000191984818 1196210916 /nfs/dbraw/zinc/21/09/16/1196210916.db2.gz ULYNLJVYGYFMPN-QGZVFWFLSA-N 1 1 385.468 0.982 10 0 GCAEMO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645582 1196214938 /nfs/dbraw/zinc/21/49/38/1196214938.db2.gz DJNBBOOEDUQEFJ-KURKYZTESA-N 1 1 380.533 0.641 10 0 GCAEMO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000522852109 1196353254 /nfs/dbraw/zinc/35/32/54/1196353254.db2.gz FRRGPVQLXUSODL-CQSZACIVSA-N 1 1 387.440 0.405 10 0 GCAEMO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000522852109 1196353258 /nfs/dbraw/zinc/35/32/58/1196353258.db2.gz FRRGPVQLXUSODL-CQSZACIVSA-N 1 1 387.440 0.405 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000248221891 1196411944 /nfs/dbraw/zinc/41/19/44/1196411944.db2.gz IARACZCBYDZRMQ-RBUKOAKNSA-N 1 1 382.549 0.256 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(c3ncccc3S(C)(=O)=O)CC2)CC1 ZINC000302728632 1196445642 /nfs/dbraw/zinc/44/56/42/1196445642.db2.gz KYFZYSULADOBIG-UHFFFAOYSA-N 1 1 380.514 0.866 10 0 GCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC000444386089 1196453327 /nfs/dbraw/zinc/45/33/27/1196453327.db2.gz RWKDPTSWQWTAOL-WBVHZDCISA-N 1 1 396.532 0.232 10 0 GCAEMO Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000508526429 1196565646 /nfs/dbraw/zinc/56/56/46/1196565646.db2.gz NWUNDNCMBSZMTF-CYBMUJFWSA-N 1 1 381.440 0.250 10 0 GCAEMO Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000508526429 1196565648 /nfs/dbraw/zinc/56/56/48/1196565648.db2.gz NWUNDNCMBSZMTF-CYBMUJFWSA-N 1 1 381.440 0.250 10 0 GCAEMO CN(C(=O)CN1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000524156443 1196579788 /nfs/dbraw/zinc/57/97/88/1196579788.db2.gz QACDSMBKAVYNHH-PMACEKPBSA-N 1 1 397.560 0.952 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)cc[nH+]1 ZINC000524978629 1196641310 /nfs/dbraw/zinc/64/13/10/1196641310.db2.gz VCWZXEOJFOLKCD-UHFFFAOYSA-N 1 1 384.440 0.369 10 0 GCAEMO CC(=O)Nc1nc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cs1 ZINC000524979632 1196641530 /nfs/dbraw/zinc/64/15/30/1196641530.db2.gz RWSWWGNGOPGQSJ-UHFFFAOYSA-N 1 1 375.458 0.920 10 0 GCAEMO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)o1 ZINC000524970061 1196642054 /nfs/dbraw/zinc/64/20/54/1196642054.db2.gz HKPSHAYHZCEXCS-UHFFFAOYSA-N 1 1 394.457 0.006 10 0 GCAEMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000525279475 1196662847 /nfs/dbraw/zinc/66/28/47/1196662847.db2.gz RRVZWLDUZFCKOR-UHFFFAOYSA-N 1 1 378.473 0.546 10 0 GCAEMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000527685529 1196808756 /nfs/dbraw/zinc/80/87/56/1196808756.db2.gz VRDUDAANKUNRCS-UHFFFAOYSA-N 1 1 390.465 0.927 10 0 GCAEMO CC(C)[C@H](CNC(=O)N1CCCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000119158173 1196881147 /nfs/dbraw/zinc/88/11/47/1196881147.db2.gz MHLIHWBAADXDIV-SFHVURJKSA-N 1 1 389.548 0.970 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC12COC2 ZINC000451137813 1196972344 /nfs/dbraw/zinc/97/23/44/1196972344.db2.gz POGSIWLXBBMEFG-QGZVFWFLSA-N 1 1 396.509 0.960 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(F)c2)CC12COC2 ZINC000451141276 1196972848 /nfs/dbraw/zinc/97/28/48/1196972848.db2.gz VBBQTTYIDJHFRV-INIZCTEOSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCCOc2cccc(F)c2)CC12COC2 ZINC000451141276 1196972850 /nfs/dbraw/zinc/97/28/50/1196972850.db2.gz VBBQTTYIDJHFRV-INIZCTEOSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451138902 1196972999 /nfs/dbraw/zinc/97/29/99/1196972999.db2.gz RGTMGDJXGHBMDO-CABCVRRESA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451138902 1196973002 /nfs/dbraw/zinc/97/30/02/1196973002.db2.gz RGTMGDJXGHBMDO-CABCVRRESA-N 1 1 382.457 0.300 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC12COC2 ZINC000451129970 1196973908 /nfs/dbraw/zinc/97/39/08/1196973908.db2.gz DKGFBXAJVZYYNT-INIZCTEOSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129577 1196974096 /nfs/dbraw/zinc/97/40/96/1196974096.db2.gz CXWOWHBSEWHPNM-DOMZBBRYSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129577 1196974098 /nfs/dbraw/zinc/97/40/98/1196974098.db2.gz CXWOWHBSEWHPNM-DOMZBBRYSA-N 1 1 375.425 0.624 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC12COC2 ZINC000451127654 1196974106 /nfs/dbraw/zinc/97/41/06/1196974106.db2.gz ANGQLBHRHWOVDA-ARFHVFGLSA-N 1 1 396.484 0.688 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC12COC2 ZINC000451129971 1196974155 /nfs/dbraw/zinc/97/41/55/1196974155.db2.gz DKGFBXAJVZYYNT-MRXNPFEDSA-N 1 1 382.482 0.948 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451131928 1196974288 /nfs/dbraw/zinc/97/42/88/1196974288.db2.gz HUWVULUHIOVZID-OAHLLOKOSA-N 1 1 375.425 0.524 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccccc2)CC12COC2 ZINC000451131928 1196974289 /nfs/dbraw/zinc/97/42/89/1196974289.db2.gz HUWVULUHIOVZID-OAHLLOKOSA-N 1 1 375.425 0.524 10 0 GCAEMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)CC12COC2 ZINC000451143597 1196975303 /nfs/dbraw/zinc/97/53/03/1196975303.db2.gz XCTQCIWKEMLUQI-MRXNPFEDSA-N 1 1 380.416 0.832 10 0 GCAEMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)CC12COC2 ZINC000451143597 1196975306 /nfs/dbraw/zinc/97/53/06/1196975306.db2.gz XCTQCIWKEMLUQI-MRXNPFEDSA-N 1 1 380.416 0.832 10 0 GCAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](O)Cc3cnn(C)c3)cc2)CC1 ZINC000530337291 1196979381 /nfs/dbraw/zinc/97/93/81/1196979381.db2.gz ZVRJRXCPNBKLEW-IBGZPJMESA-N 1 1 385.468 0.626 10 0 GCAEMO CN(C)c1nccc(N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)n1 ZINC000530476023 1196990278 /nfs/dbraw/zinc/99/02/78/1196990278.db2.gz NAKMVSYAGIRRTC-UHFFFAOYSA-N 1 1 376.505 0.694 10 0 GCAEMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000530681097 1197008759 /nfs/dbraw/zinc/00/87/59/1197008759.db2.gz GESIVUGPDMVHCS-UHFFFAOYSA-N 1 1 390.484 0.377 10 0 GCAEMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000452364095 1197056122 /nfs/dbraw/zinc/05/61/22/1197056122.db2.gz AKOGRMAMKCRKHO-INIZCTEOSA-N 1 1 397.497 0.131 10 0 GCAEMO CCOc1ccnc(N2CCC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000532013656 1197107575 /nfs/dbraw/zinc/10/75/75/1197107575.db2.gz NGAGVWUXECATJT-DLBZAZTESA-N 1 1 380.489 0.944 10 0 GCAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000170856059 1197155086 /nfs/dbraw/zinc/15/50/86/1197155086.db2.gz ZHAAVIIQZSXTGD-GJZGRUSLSA-N 1 1 383.518 0.638 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC(=O)NC3=O)cc2F)CC1 ZINC000171036001 1197156836 /nfs/dbraw/zinc/15/68/36/1197156836.db2.gz GLEAHYGQZRXTDT-QGZVFWFLSA-N 1 1 388.443 0.987 10 0 GCAEMO Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)C[N@H+]3CCc4ccccc4C3)C2=O)cn1 ZINC000174058520 1197179952 /nfs/dbraw/zinc/17/99/52/1197179952.db2.gz GTJZDBGFCJMKNI-RBUKOAKNSA-N 1 1 382.464 0.757 10 0 GCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175715620 1197184331 /nfs/dbraw/zinc/18/43/31/1197184331.db2.gz HOQLKRNHQWSMFO-ROUUACIJSA-N 1 1 391.564 0.962 10 0 GCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000177226941 1197189328 /nfs/dbraw/zinc/18/93/28/1197189328.db2.gz UUJXIQPPNGQOTB-AWEZNQCLSA-N 1 1 394.907 0.777 10 0 GCAEMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178484852 1197194191 /nfs/dbraw/zinc/19/41/91/1197194191.db2.gz CKUUPMDGJFATQR-OALUTQOASA-N 1 1 382.549 0.114 10 0 GCAEMO CN1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000179472722 1197197932 /nfs/dbraw/zinc/19/79/32/1197197932.db2.gz YBKHIICTROIHMF-AEFFLSMTSA-N 1 1 384.484 0.945 10 0 GCAEMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000180191318 1197200784 /nfs/dbraw/zinc/20/07/84/1197200784.db2.gz OAWZJSZPSYHHPX-DOTOQJQBSA-N 1 1 377.470 0.260 10 0 GCAEMO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)CN1CC[NH+](C)CC1 ZINC000182854557 1197208042 /nfs/dbraw/zinc/20/80/42/1197208042.db2.gz FKKXPERLUMLRLE-FUHWJXTLSA-N 1 1 388.516 0.760 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@H](C(=O)NC)C3)cc2F)CC1 ZINC000183981400 1197210091 /nfs/dbraw/zinc/21/00/91/1197210091.db2.gz QZUQHKGTDKFMJT-QGZVFWFLSA-N 1 1 378.448 0.555 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186173242 1197227267 /nfs/dbraw/zinc/22/72/67/1197227267.db2.gz QXDKLHUMDRDUCG-UHFFFAOYSA-N 1 1 389.504 0.329 10 0 GCAEMO C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000187739665 1197232029 /nfs/dbraw/zinc/23/20/29/1197232029.db2.gz HORIHUJLPBALHO-KRWDZBQOSA-N 1 1 388.512 0.862 10 0 GCAEMO C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC[N@H+]1CCO ZINC000187739665 1197232032 /nfs/dbraw/zinc/23/20/32/1197232032.db2.gz HORIHUJLPBALHO-KRWDZBQOSA-N 1 1 388.512 0.862 10 0 GCAEMO C[C@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC[N@@H+]1CCO ZINC000188700814 1197233832 /nfs/dbraw/zinc/23/38/32/1197233832.db2.gz UGOCFJVKKZUBHQ-AWEZNQCLSA-N 1 1 376.432 0.829 10 0 GCAEMO C[C@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC[N@H+]1CCO ZINC000188700814 1197233834 /nfs/dbraw/zinc/23/38/34/1197233834.db2.gz UGOCFJVKKZUBHQ-AWEZNQCLSA-N 1 1 376.432 0.829 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000189450041 1197236774 /nfs/dbraw/zinc/23/67/74/1197236774.db2.gz KUHZPXLXZKJUIG-QZTJIDSGSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000189450041 1197236775 /nfs/dbraw/zinc/23/67/75/1197236775.db2.gz KUHZPXLXZKJUIG-QZTJIDSGSA-N 1 1 384.565 0.236 10 0 GCAEMO CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000909674172 1197286612 /nfs/dbraw/zinc/28/66/12/1197286612.db2.gz PIGCEONUPBCSLD-SFHVURJKSA-N 1 1 389.452 0.121 10 0 GCAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000170953643 1197308417 /nfs/dbraw/zinc/30/84/17/1197308417.db2.gz GFPHDEXAUOCLGI-GOSISDBHSA-N 1 1 394.541 0.717 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000171006756 1197309690 /nfs/dbraw/zinc/30/96/90/1197309690.db2.gz JAXLNUWTVUTTHY-QGZVFWFLSA-N 1 1 375.521 0.580 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nnc(-c3cccc(F)c3)n2)C1 ZINC000019064534 1197316262 /nfs/dbraw/zinc/31/62/62/1197316262.db2.gz JPQUYQAUKZEGRN-INIZCTEOSA-N 1 1 376.436 0.952 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCn3ccnc3)CC2)CC1 ZINC000114907975 1197337065 /nfs/dbraw/zinc/33/70/65/1197337065.db2.gz YMKFYVDNLBAFGN-UHFFFAOYSA-N 1 1 376.505 0.859 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC([N@H+](C)CCCO)CC2)C1 ZINC000115547123 1197337320 /nfs/dbraw/zinc/33/73/20/1197337320.db2.gz XYBMZCVRSLHYAA-LJQANCHMSA-N 1 1 384.565 0.238 10 0 GCAEMO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000115547123 1197337323 /nfs/dbraw/zinc/33/73/23/1197337323.db2.gz XYBMZCVRSLHYAA-LJQANCHMSA-N 1 1 384.565 0.238 10 0 GCAEMO CCN1CCN(C(=O)[C@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119681162 1197340971 /nfs/dbraw/zinc/34/09/71/1197340971.db2.gz AWTZRMKQRGTBKT-GURQWTFNSA-N 1 1 377.577 0.782 10 0 GCAEMO CC(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)[NH+]1CCOCC1 ZINC000332761607 1197343323 /nfs/dbraw/zinc/34/33/23/1197343323.db2.gz ODUOWDOZKKQBKX-ZWKOTPCHSA-N 1 1 396.532 0.624 10 0 GCAEMO O=C(NC[C@@H](CO)c1ccccc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459215670 1197350209 /nfs/dbraw/zinc/35/02/09/1197350209.db2.gz SNONSTRLNOPIRD-SFHVURJKSA-N 1 1 377.485 0.943 10 0 GCAEMO CC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC000123706706 1197351663 /nfs/dbraw/zinc/35/16/63/1197351663.db2.gz LYUOASFAYPVCDA-UHFFFAOYSA-N 1 1 386.496 0.880 10 0 GCAEMO C[NH+]1CCN([C@@H](CNC(=O)N2CC[C@@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519031 1197351994 /nfs/dbraw/zinc/35/19/94/1197351994.db2.gz ZLFQHQLSQQEPQD-KGLIPLIRSA-N 1 1 380.518 0.489 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000125025791 1197354771 /nfs/dbraw/zinc/35/47/71/1197354771.db2.gz ZVGGKWGWQQJVSF-UHFFFAOYSA-N 1 1 388.512 0.942 10 0 GCAEMO COc1ccc(CNC(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000125025791 1197354773 /nfs/dbraw/zinc/35/47/73/1197354773.db2.gz ZVGGKWGWQQJVSF-UHFFFAOYSA-N 1 1 388.512 0.942 10 0 GCAEMO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC000132355818 1197380103 /nfs/dbraw/zinc/38/01/03/1197380103.db2.gz FBLYCHFZBRNOSS-MRXNPFEDSA-N 1 1 398.529 0.772 10 0 GCAEMO O=C(CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699383 1197390794 /nfs/dbraw/zinc/39/07/94/1197390794.db2.gz KUWSPUYFBQGKSF-MOPGFXCFSA-N 1 1 383.533 0.609 10 0 GCAEMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000055993112 1197391975 /nfs/dbraw/zinc/39/19/75/1197391975.db2.gz SJCNYCCSOCHJNH-MRXNPFEDSA-N 1 1 392.525 0.608 10 0 GCAEMO CN(C)c1nc(N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc[nH+]1 ZINC000532731146 1197406467 /nfs/dbraw/zinc/40/64/67/1197406467.db2.gz KUUXFYXQWRPHLM-UHFFFAOYSA-N 1 1 389.504 0.823 10 0 GCAEMO C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CCN1c1nccn2cnnc12 ZINC000532741827 1197407952 /nfs/dbraw/zinc/40/79/52/1197407952.db2.gz SGTOYNVFTLLGJX-OWCLPIDISA-N 1 1 376.461 0.191 10 0 GCAEMO CN1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000245695542 1197419655 /nfs/dbraw/zinc/41/96/55/1197419655.db2.gz YBKHIICTROIHMF-FUHWJXTLSA-N 1 1 384.484 0.945 10 0 GCAEMO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC12COC2 ZINC000454630635 1197423426 /nfs/dbraw/zinc/42/34/26/1197423426.db2.gz XWLCRSVHNQJMNA-DLBZAZTESA-N 1 1 396.532 0.481 10 0 GCAEMO Cc1cc(CN2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)on1 ZINC000247946202 1197477628 /nfs/dbraw/zinc/47/76/28/1197477628.db2.gz WLGYVYBFNQXIKK-IBGZPJMESA-N 1 1 393.532 0.574 10 0 GCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOC[C@H]2c2cccn2C)C1 ZINC000249095116 1197481442 /nfs/dbraw/zinc/48/14/42/1197481442.db2.gz FOEMLYIXCSMNCI-HKUYNNGSSA-N 1 1 378.517 0.871 10 0 GCAEMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000261677163 1197511561 /nfs/dbraw/zinc/51/15/61/1197511561.db2.gz HAUNVTYEOXOMQG-CQSZACIVSA-N 1 1 388.472 0.490 10 0 GCAEMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261926691 1197519287 /nfs/dbraw/zinc/51/92/87/1197519287.db2.gz JCUKAVCGYMWTED-MRXNPFEDSA-N 1 1 375.454 0.318 10 0 GCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000261961456 1197520277 /nfs/dbraw/zinc/52/02/77/1197520277.db2.gz MMYMHDWZMNLBEZ-OAHLLOKOSA-N 1 1 382.486 0.084 10 0 GCAEMO COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262006096 1197522339 /nfs/dbraw/zinc/52/23/39/1197522339.db2.gz GVUHAZQDYAFASD-HNNXBMFYSA-N 1 1 381.498 0.897 10 0 GCAEMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000333451029 1197522590 /nfs/dbraw/zinc/52/25/90/1197522590.db2.gz LUOMULQYLBFSIM-CVEARBPZSA-N 1 1 390.488 0.224 10 0 GCAEMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000333451033 1197522688 /nfs/dbraw/zinc/52/26/88/1197522688.db2.gz LUOMULQYLBFSIM-HZPDHXFCSA-N 1 1 390.488 0.224 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000262091566 1197524812 /nfs/dbraw/zinc/52/48/12/1197524812.db2.gz LKLZZOOFCZQXQW-CQSZACIVSA-N 1 1 378.439 0.931 10 0 GCAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262091566 1197524813 /nfs/dbraw/zinc/52/48/13/1197524813.db2.gz LKLZZOOFCZQXQW-CQSZACIVSA-N 1 1 378.439 0.931 10 0 GCAEMO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000262099653 1197524986 /nfs/dbraw/zinc/52/49/86/1197524986.db2.gz ZFAJNBRFCXKUDM-INIZCTEOSA-N 1 1 388.449 0.127 10 0 GCAEMO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262504097 1197532959 /nfs/dbraw/zinc/53/29/59/1197532959.db2.gz IUHCRQAOEXGGLD-AWEZNQCLSA-N 1 1 395.481 0.367 10 0 GCAEMO COC(=O)[C@@]1(NCCCN2C(=O)CNC2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796886 1197542051 /nfs/dbraw/zinc/54/20/51/1197542051.db2.gz POXWXVJHDXHIPS-HXUWFJFHSA-N 1 1 388.468 0.726 10 0 GCAEMO Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000508706662 1197554625 /nfs/dbraw/zinc/55/46/25/1197554625.db2.gz PWLODRSNTCTEPO-AWEZNQCLSA-N 1 1 377.470 0.406 10 0 GCAEMO Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000508706662 1197554632 /nfs/dbraw/zinc/55/46/32/1197554632.db2.gz PWLODRSNTCTEPO-AWEZNQCLSA-N 1 1 377.470 0.406 10 0 GCAEMO CN(C)c1nc(N2CCN(C(=O)c3cccc4c3oc(=O)n4C)CC2)cc[nH+]1 ZINC000533843571 1197572215 /nfs/dbraw/zinc/57/22/15/1197572215.db2.gz KEYCUMYRLSVWBG-UHFFFAOYSA-N 1 1 382.424 0.950 10 0 GCAEMO C[NH+]1CCN([C@H](CNC(=O)N2CCN3CCOC[C@H]3C2)c2cccs2)CC1 ZINC000542730719 1199019453 /nfs/dbraw/zinc/01/94/53/1199019453.db2.gz WGISWTJVAHEQHX-IAGOWNOFSA-N 1 1 393.557 0.763 10 0 GCAEMO CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000672083296 1199076419 /nfs/dbraw/zinc/07/64/19/1199076419.db2.gz GAXNRGZCFZKULN-WZYMTQMTSA-N 1 1 388.516 0.964 10 0 GCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000672084693 1199077412 /nfs/dbraw/zinc/07/74/12/1199077412.db2.gz JVGCVPTWGCXLMB-OAGGEKHMSA-N 1 1 388.516 0.918 10 0 GCAEMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)CC1 ZINC000672212009 1199160271 /nfs/dbraw/zinc/16/02/71/1199160271.db2.gz CJUXTVUSNBPYOW-UHFFFAOYSA-N 1 1 380.514 0.866 10 0 GCAEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000672307071 1199200183 /nfs/dbraw/zinc/20/01/83/1199200183.db2.gz KDKUVSPWSSEVSG-IEBWSBKVSA-N 1 1 387.480 0.893 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)nn1 ZINC000672402641 1199229175 /nfs/dbraw/zinc/22/91/75/1199229175.db2.gz ZDLCFWURAPBMRK-DLBZAZTESA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)nn1 ZINC000672402641 1199229176 /nfs/dbraw/zinc/22/91/76/1199229176.db2.gz ZDLCFWURAPBMRK-DLBZAZTESA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)nn1 ZINC000672402643 1199229225 /nfs/dbraw/zinc/22/92/25/1199229225.db2.gz ZDLCFWURAPBMRK-IRXDYDNUSA-N 1 1 386.500 0.567 10 0 GCAEMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)nn1 ZINC000672402643 1199229229 /nfs/dbraw/zinc/22/92/29/1199229229.db2.gz ZDLCFWURAPBMRK-IRXDYDNUSA-N 1 1 386.500 0.567 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@@H+]3C[C@@H]1C)CC2 ZINC000672418498 1199231793 /nfs/dbraw/zinc/23/17/93/1199231793.db2.gz LVLQTYBYIVHRRT-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCC[N@H+]3C[C@@H]1C)CC2 ZINC000672418498 1199231797 /nfs/dbraw/zinc/23/17/97/1199231797.db2.gz LVLQTYBYIVHRRT-XHSDSOJGSA-N 1 1 388.516 0.918 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)CC2 ZINC000672418890 1199232032 /nfs/dbraw/zinc/23/20/32/1199232032.db2.gz RTLBBNZWEZJPAV-BZUAXINKSA-N 1 1 388.516 0.775 10 0 GCAEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)CC2 ZINC000672418891 1199232166 /nfs/dbraw/zinc/23/21/66/1199232166.db2.gz RTLBBNZWEZJPAV-OAGGEKHMSA-N 1 1 388.516 0.775 10 0 GCAEMO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cnn(CC[NH+](C)C)c1)C2 ZINC000672687337 1199315538 /nfs/dbraw/zinc/31/55/38/1199315538.db2.gz LCGWETZAYNZBTN-ZXFUBFMLSA-N 1 1 391.520 0.650 10 0 GCAEMO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)nc2c1 ZINC000672751939 1199330920 /nfs/dbraw/zinc/33/09/20/1199330920.db2.gz HRAZIRPHFSYLML-MRXNPFEDSA-N 1 1 398.511 0.726 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)[nH]c2c1 ZINC000672751939 1199330927 /nfs/dbraw/zinc/33/09/27/1199330927.db2.gz HRAZIRPHFSYLML-MRXNPFEDSA-N 1 1 398.511 0.726 10 0 GCAEMO Cc1ccc2nc(CNC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)[nH]c2c1 ZINC000672751939 1199330932 /nfs/dbraw/zinc/33/09/32/1199330932.db2.gz HRAZIRPHFSYLML-MRXNPFEDSA-N 1 1 398.511 0.726 10 0 GCAEMO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)cn1 ZINC000672890280 1199362018 /nfs/dbraw/zinc/36/20/18/1199362018.db2.gz KNHRNTLYWWXJRH-JFIYKMOQSA-N 1 1 388.516 0.448 10 0 GCAEMO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1N1CCOCC1 ZINC000673123213 1199431181 /nfs/dbraw/zinc/43/11/81/1199431181.db2.gz QWLILPRQEVTPOM-XWDNEUNKSA-N 1 1 378.517 0.297 10 0 GCAEMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)NCC1CCCCC1 ZINC000066870583 1199460201 /nfs/dbraw/zinc/46/02/01/1199460201.db2.gz ZPRXFGMAXONMFQ-UHFFFAOYSA-N 1 1 380.533 0.549 10 0 GCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323047 1199542519 /nfs/dbraw/zinc/54/25/19/1199542519.db2.gz ZOORYUSOGNJAOQ-NVXWUHKLSA-N 1 1 386.500 0.647 10 0 GCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000673323047 1199542524 /nfs/dbraw/zinc/54/25/24/1199542524.db2.gz ZOORYUSOGNJAOQ-NVXWUHKLSA-N 1 1 386.500 0.647 10 0 GCAEMO CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3nnnn3C)cc2)CC1 ZINC000466225232 1199563780 /nfs/dbraw/zinc/56/37/80/1199563780.db2.gz MAJGXHRAFATNOC-UHFFFAOYSA-N 1 1 386.504 0.689 10 0 GCAEMO CCOC(=O)CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCC1 ZINC000466269311 1199593457 /nfs/dbraw/zinc/59/34/57/1199593457.db2.gz QGNOAYJKDAGFPS-KRWDZBQOSA-N 1 1 395.500 0.644 10 0 GCAEMO CN1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1=O ZINC000162872507 1199986886 /nfs/dbraw/zinc/98/68/86/1199986886.db2.gz ZAIZWXNBCQMIGS-ZDUSSCGKSA-N 1 1 380.411 0.903 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000625543797 1200025845 /nfs/dbraw/zinc/02/58/45/1200025845.db2.gz PGQLSYCFSPZPIW-INIZCTEOSA-N 1 1 397.564 0.184 10 0 GCAEMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558718 1200128667 /nfs/dbraw/zinc/12/86/67/1200128667.db2.gz GOTFEKFFTNQYLT-WBVHZDCISA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558718 1200128674 /nfs/dbraw/zinc/12/86/74/1200128674.db2.gz GOTFEKFFTNQYLT-WBVHZDCISA-N 1 1 375.469 0.521 10 0 GCAEMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)C1 ZINC000674277138 1200210723 /nfs/dbraw/zinc/21/07/23/1200210723.db2.gz TWFTWLYKXQCYHP-YRPNKDGESA-N 1 1 397.560 0.665 10 0 GCAEMO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2F)CC1 ZINC000172314688 1200270251 /nfs/dbraw/zinc/27/02/51/1200270251.db2.gz AELFJNOHWHUOQM-OAHLLOKOSA-N 1 1 398.504 0.731 10 0 GCAEMO C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)(N2CCCCC2)CC1 ZINC000172755000 1200293889 /nfs/dbraw/zinc/29/38/89/1200293889.db2.gz DCZJZPRKTISANK-INIZCTEOSA-N 1 1 386.562 0.477 10 0 GCAEMO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 ZINC000676092166 1200486043 /nfs/dbraw/zinc/48/60/43/1200486043.db2.gz ZSRQZODVKLYMDL-QGZVFWFLSA-N 1 1 392.504 0.097 10 0 GCAEMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332371 1200547332 /nfs/dbraw/zinc/54/73/32/1200547332.db2.gz LVDYVMKTZZLRJT-YJBOKZPZSA-N 1 1 395.525 0.923 10 0 GCAEMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332371 1200547334 /nfs/dbraw/zinc/54/73/34/1200547334.db2.gz LVDYVMKTZZLRJT-YJBOKZPZSA-N 1 1 395.525 0.923 10 0 GCAEMO CC(C)(C)n1cnc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1 ZINC000464105084 1200680864 /nfs/dbraw/zinc/68/08/64/1200680864.db2.gz RUZQWXPLKXNDGK-HNNXBMFYSA-N 1 1 386.456 1.177 10 0 GCAEMO Cc1cc(C)n2nc(NC(=O)N3CCN(c4cc[nH+]c(N(C)C)n4)CC3)nc2n1 ZINC000531382385 1200756191 /nfs/dbraw/zinc/75/61/91/1200756191.db2.gz GTFGMHIJVKGXRL-UHFFFAOYSA-N 1 1 396.459 0.951 10 0 GCAEMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000625962821 1200957790 /nfs/dbraw/zinc/95/77/90/1200957790.db2.gz SIZGYZOIZZDVTJ-INIZCTEOSA-N 1 1 380.533 0.986 10 0 GCAEMO CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000822634886 1201580079 /nfs/dbraw/zinc/58/00/79/1201580079.db2.gz GLMOXSUAMYNHBM-WMZOPIPTSA-N 1 1 386.562 0.334 10 0 GCAEMO C[N@H+]1CC[C@@H](CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000823755214 1201607216 /nfs/dbraw/zinc/60/72/16/1201607216.db2.gz BGWYFCUULDYUNC-ZETCQYMHSA-N 1 1 381.072 0.871 10 0 GCAEMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000823783936 1201608495 /nfs/dbraw/zinc/60/84/95/1201608495.db2.gz PGNLDWIFQRBOAS-UHFFFAOYSA-N 1 1 394.541 0.581 10 0 GCAEMO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000823784281 1201608692 /nfs/dbraw/zinc/60/86/92/1201608692.db2.gz IHJLDCVQPRQZKW-KCQAQPDRSA-N 1 1 386.493 0.243 10 0 GCAEMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000823784008 1201608811 /nfs/dbraw/zinc/60/88/11/1201608811.db2.gz QMBIRRDXCUTLAO-UHFFFAOYSA-N 1 1 398.504 0.475 10 0 GCAEMO Cc1nn(CCS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(=O)o1 ZINC000825284800 1201658509 /nfs/dbraw/zinc/65/85/09/1201658509.db2.gz POMUWACMMYDBKW-INIZCTEOSA-N 1 1 380.470 0.729 10 0 GCAEMO Cc1cc(S(=O)(=O)NCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c(C)s1 ZINC000828635177 1201717899 /nfs/dbraw/zinc/71/78/99/1201717899.db2.gz FPSMMCRRTDTFLU-DOMZBBRYSA-N 1 1 375.516 0.215 10 0 GCAEMO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)C2)cc1 ZINC000828697296 1201719146 /nfs/dbraw/zinc/71/91/46/1201719146.db2.gz MDOGSELQYVMRJS-YLJYHZDGSA-N 1 1 375.469 0.314 10 0 GCAEMO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)C2)cc1 ZINC000828697295 1201719346 /nfs/dbraw/zinc/71/93/46/1201719346.db2.gz MDOGSELQYVMRJS-XLIONFOSSA-N 1 1 375.469 0.314 10 0 GCAEMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000741604440 1201780956 /nfs/dbraw/zinc/78/09/56/1201780956.db2.gz DBRQTCGPQPCTFB-WFASDCNBSA-N 1 1 376.482 0.958 10 0 GCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000770717427 1202107289 /nfs/dbraw/zinc/10/72/89/1202107289.db2.gz WGLINRPZDKSORC-UHFFFAOYSA-N 1 1 390.488 0.343 10 0 GCAEMO Cn1ncc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1C1CC1 ZINC000770722348 1202108169 /nfs/dbraw/zinc/10/81/69/1202108169.db2.gz BJMUPXHUUZDVIM-OAHLLOKOSA-N 1 1 375.473 0.949 10 0 GCAEMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1=O ZINC000771293335 1202133301 /nfs/dbraw/zinc/13/33/01/1202133301.db2.gz LBFKGXWJDDXLLN-JLTOFOAXSA-N 1 1 388.468 0.839 10 0 GCAEMO CN(CC1CC1)C(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790295732 1205461374 /nfs/dbraw/zinc/46/13/74/1205461374.db2.gz IDYUMUYRFJLIBW-UHFFFAOYSA-N 1 1 382.505 0.914 10 0 GCAEMO CC(=O)N1CCC[C@@H](C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000791849036 1205481530 /nfs/dbraw/zinc/48/15/30/1205481530.db2.gz CYBDZVUXHLISQF-SJORKVTESA-N 1 1 383.489 0.261 10 0 GCAEMO COc1ccc(Cl)cc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793564117 1205500259 /nfs/dbraw/zinc/50/02/59/1205500259.db2.gz GFEMTDRLUISJBM-GJZGRUSLSA-N 1 1 381.860 0.944 10 0 GCAEMO CC[S@](=O)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000805606163 1205540467 /nfs/dbraw/zinc/54/04/67/1205540467.db2.gz UHLXIASGKRRKBJ-SANMLTNESA-N 1 1 381.502 0.063 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000805611467 1205540952 /nfs/dbraw/zinc/54/09/52/1205540952.db2.gz AXLNMQVWYREGRY-AREMUKBSSA-N 1 1 379.526 0.914 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000805611467 1205540954 /nfs/dbraw/zinc/54/09/54/1205540954.db2.gz AXLNMQVWYREGRY-AREMUKBSSA-N 1 1 379.526 0.914 10 0 GCAEMO CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCC[NH+]1CCOCC1)[C@@H]2C ZINC000774467053 1205873757 /nfs/dbraw/zinc/87/37/57/1205873757.db2.gz GVNRXVJJVLEQRY-CQSZACIVSA-N 1 1 378.477 0.143 10 0 GCAEMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000775085004 1205955253 /nfs/dbraw/zinc/95/52/53/1205955253.db2.gz SLQXXCLUEKYWKZ-XGCWNURASA-N 1 1 395.525 0.833 10 0 GCAEMO