smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c(OC)c1 ZINC000053536270 205137176 /nfs/dbraw/zinc/13/71/76/205137176.db2.gz PZERTMSSSVQXRM-SFHVURJKSA-N 1 2 381.476 3.761 40 0 GHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c(OC)c1 ZINC000053536270 205137178 /nfs/dbraw/zinc/13/71/78/205137178.db2.gz PZERTMSSSVQXRM-SFHVURJKSA-N 1 2 381.476 3.761 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 ZINC000072357695 205332859 /nfs/dbraw/zinc/33/28/59/205332859.db2.gz YIJVMMKQPQPHQC-IBGZPJMESA-N 1 2 378.501 3.905 40 0 GHABLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 ZINC000072357695 205332862 /nfs/dbraw/zinc/33/28/62/205332862.db2.gz YIJVMMKQPQPHQC-IBGZPJMESA-N 1 2 378.501 3.905 40 0 GHABLO CC(C)Oc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225778662 206075545 /nfs/dbraw/zinc/07/55/45/206075545.db2.gz UEPNZBMXUCBAPK-UHFFFAOYSA-N 1 2 399.560 3.793 40 0 GHABLO Cc1cccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)oc12 ZINC000226035848 206087765 /nfs/dbraw/zinc/08/77/65/206087765.db2.gz KKTUSUFOYBLLRU-UXBLZVDNSA-N 1 2 388.467 3.573 40 0 GHABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4coc(C)n4)C3)CO[C@H]21 ZINC000257220407 206160436 /nfs/dbraw/zinc/16/04/36/206160436.db2.gz DKSQXLMUBOBQBP-PKOBYXMFSA-N 1 2 384.476 3.742 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 ZINC000257224316 206163206 /nfs/dbraw/zinc/16/32/06/206163206.db2.gz FBHRJRUAWSKSRM-HSZRJFAPSA-N 1 2 394.494 3.910 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 ZINC000257224316 206163210 /nfs/dbraw/zinc/16/32/10/206163210.db2.gz FBHRJRUAWSKSRM-HSZRJFAPSA-N 1 2 394.494 3.910 40 0 GHABLO O=C(c1ccco1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143164 206206262 /nfs/dbraw/zinc/20/62/62/206206262.db2.gz XUWQMULAGAHTJF-HXUWFJFHSA-N 1 2 384.439 3.707 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306124812 206196582 /nfs/dbraw/zinc/19/65/82/206196582.db2.gz CAAXBWUSVDOEJC-RXVVDRJESA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306124812 206196588 /nfs/dbraw/zinc/19/65/88/206196588.db2.gz CAAXBWUSVDOEJC-RXVVDRJESA-N 1 2 383.444 3.841 40 0 GHABLO Cc1nc(C[NH+]2CCC3(CC2)NC(=O)c2sc(-c4ccccc4)nc23)cs1 ZINC000306131553 206202190 /nfs/dbraw/zinc/20/21/90/206202190.db2.gz KILMJRXJCWJGSN-UHFFFAOYSA-N 1 2 396.541 3.810 40 0 GHABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134224 206202599 /nfs/dbraw/zinc/20/25/99/206202599.db2.gz NGASNOZJIVVMIS-FQEVSTJZSA-N 1 2 391.500 3.735 40 0 GHABLO Cc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134224 206202605 /nfs/dbraw/zinc/20/26/05/206202605.db2.gz NGASNOZJIVVMIS-FQEVSTJZSA-N 1 2 391.500 3.735 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306137118 206203362 /nfs/dbraw/zinc/20/33/62/206203362.db2.gz QLYNBRQTCOZIBL-UGKGYDQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306137118 206203365 /nfs/dbraw/zinc/20/33/65/206203365.db2.gz QLYNBRQTCOZIBL-UGKGYDQZSA-N 1 2 394.471 3.643 40 0 GHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1c(F)cccc1Cl ZINC000224355869 136206898 /nfs/dbraw/zinc/20/68/98/136206898.db2.gz ZYZRIOPDAHILFW-UHFFFAOYSA-N 1 2 377.851 3.578 40 0 GHABLO COc1cc2c(cc1-c1c[nH+]cn1C[C@@H](C)n1nc(C)cc1C)OCCCO2 ZINC000019719990 570210809 /nfs/dbraw/zinc/21/08/09/570210809.db2.gz RRQMMIWWVWWIFV-MRXNPFEDSA-N 1 2 382.464 3.795 40 0 GHABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328993803 570211214 /nfs/dbraw/zinc/21/12/14/570211214.db2.gz JCIBJMSGDLLQDN-CQSZACIVSA-N 1 2 382.895 3.794 40 0 GHABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)CC(C)C)CC2 ZINC000096144999 570213890 /nfs/dbraw/zinc/21/38/90/570213890.db2.gz WOBVVKARLVBULX-UHFFFAOYSA-N 1 2 380.536 3.749 40 0 GHABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)CC(C)C)CC2 ZINC000096144999 570213891 /nfs/dbraw/zinc/21/38/91/570213891.db2.gz WOBVVKARLVBULX-UHFFFAOYSA-N 1 2 380.536 3.749 40 0 GHABLO CNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccncc2)[nH+]1 ZINC000329039790 570214340 /nfs/dbraw/zinc/21/43/40/570214340.db2.gz SAJJZWCRJAYLID-UHFFFAOYSA-N 1 2 375.354 3.953 40 0 GHABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1cccs1)N(Cc1ccccc1)CC2 ZINC000096265011 570226956 /nfs/dbraw/zinc/22/69/56/570226956.db2.gz JBPJBZPLIIMXOZ-OAQYLSRUSA-N 1 2 394.544 3.941 40 0 GHABLO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769448 570277503 /nfs/dbraw/zinc/27/75/03/570277503.db2.gz GWTUNJIXEYWSKI-QFIPXVFZSA-N 1 2 398.482 3.955 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408575848 570342595 /nfs/dbraw/zinc/34/25/95/570342595.db2.gz OPJHPRCLJNBCGB-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO Fc1ccc(Cn2nnnc2[C@H](c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000004968363 570654674 /nfs/dbraw/zinc/65/46/74/570654674.db2.gz KNSXTZZLSPHFSZ-FQEVSTJZSA-N 1 2 383.446 3.965 40 0 GHABLO Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4ccccc4)cc3)[nH+]c12 ZINC000013568846 570850779 /nfs/dbraw/zinc/85/07/79/570850779.db2.gz HCXQMGFIAMMYRJ-UHFFFAOYSA-N 1 2 384.439 3.678 40 0 GHABLO c1coc(CN2C[NH+]=C3N[C@@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000013634020 570862117 /nfs/dbraw/zinc/86/21/17/570862117.db2.gz AVFKSGOCVPGUKG-OXQOHEQNSA-N 1 2 388.475 3.681 40 0 GHABLO CC(=O)N1CCc2cc(NC(=O)[C@@H](C)Cn3c(C)[nH+]c4ccccc43)ccc21 ZINC000019286744 570970067 /nfs/dbraw/zinc/97/00/67/570970067.db2.gz PSBXUTQMJGYDLP-AWEZNQCLSA-N 1 2 376.460 3.529 40 0 GHABLO O[C@@H](c1ccccn1)c1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019347805 570977979 /nfs/dbraw/zinc/97/79/79/570977979.db2.gz MDFCRTXESKNMCB-HSZRJFAPSA-N 1 2 395.453 3.764 40 0 GHABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988964 /nfs/dbraw/zinc/98/89/64/570988964.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 1 2 392.547 3.905 40 0 GHABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988968 /nfs/dbraw/zinc/98/89/68/570988968.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 1 2 392.547 3.905 40 0 GHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019693514 856422205 /nfs/dbraw/zinc/42/22/05/856422205.db2.gz VBDBKXRUDXVRKD-JOCHJYFZSA-N 1 2 392.507 3.506 40 0 GHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019693514 856422207 /nfs/dbraw/zinc/42/22/07/856422207.db2.gz VBDBKXRUDXVRKD-JOCHJYFZSA-N 1 2 392.507 3.506 40 0 GHABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000408681892 231094483 /nfs/dbraw/zinc/09/44/83/231094483.db2.gz VEZQDCLASWPNMK-TYOLEZHBSA-N 1 2 378.516 3.928 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F ZINC000072353019 205332449 /nfs/dbraw/zinc/33/24/49/205332449.db2.gz NYXSJTUVYNTPAN-IBGZPJMESA-N 1 2 392.438 3.530 40 0 GHABLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F ZINC000072353019 205332454 /nfs/dbraw/zinc/33/24/54/205332454.db2.gz NYXSJTUVYNTPAN-IBGZPJMESA-N 1 2 392.438 3.530 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 ZINC000072379045 205339608 /nfs/dbraw/zinc/33/96/08/205339608.db2.gz QTFUYARYJGKRRY-HNNXBMFYSA-N 1 2 381.505 3.614 40 0 GHABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1csc2ccccc12 ZINC000072392185 205340885 /nfs/dbraw/zinc/34/08/85/205340885.db2.gz SHOOBPSDOAQTPJ-UHFFFAOYSA-N 1 2 382.485 3.865 40 0 GHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000096112318 206116019 /nfs/dbraw/zinc/11/60/19/206116019.db2.gz BSJGIDRQYUPQKW-NQIIRXRSSA-N 1 2 396.466 3.569 40 0 biogenic,in-vitro GHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000096112318 206116021 /nfs/dbraw/zinc/11/60/21/206116021.db2.gz BSJGIDRQYUPQKW-NQIIRXRSSA-N 1 2 396.466 3.569 40 0 biogenic,in-vitro GHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112318 206116029 /nfs/dbraw/zinc/11/60/29/206116029.db2.gz BSJGIDRQYUPQKW-NQIIRXRSSA-N 1 2 396.466 3.569 40 0 biogenic,in-vitro GHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112318 206116034 /nfs/dbraw/zinc/11/60/34/206116034.db2.gz BSJGIDRQYUPQKW-NQIIRXRSSA-N 1 2 396.466 3.569 40 0 biogenic,in-vitro GHABLO Cc1nc(Nc2cccc([C@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)n2)sc1C ZINC000257205852 206160251 /nfs/dbraw/zinc/16/02/51/206160251.db2.gz BAVXQOGJXZPYSB-GOSISDBHSA-N 1 2 398.536 3.514 40 0 GHABLO Cc1nc(Nc2cccc([C@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)n2)sc1C ZINC000257205852 206160254 /nfs/dbraw/zinc/16/02/54/206160254.db2.gz BAVXQOGJXZPYSB-GOSISDBHSA-N 1 2 398.536 3.514 40 0 GHABLO CCc1nnc(Nc2cccc([C@H]3C[N@H+](CCc4ccccc4)CCO3)n2)s1 ZINC000257219527 206161004 /nfs/dbraw/zinc/16/10/04/206161004.db2.gz DHCINUBVPUIVAR-GOSISDBHSA-N 1 2 395.532 3.855 40 0 GHABLO CCc1nnc(Nc2cccc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)n2)s1 ZINC000257219527 206161007 /nfs/dbraw/zinc/16/10/07/206161007.db2.gz DHCINUBVPUIVAR-GOSISDBHSA-N 1 2 395.532 3.855 40 0 GHABLO Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275923 206171528 /nfs/dbraw/zinc/17/15/28/206171528.db2.gz NROJIRWDXXJZNF-INIZCTEOSA-N 1 2 379.460 3.833 40 0 GHABLO Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275923 206171532 /nfs/dbraw/zinc/17/15/32/206171532.db2.gz NROJIRWDXXJZNF-INIZCTEOSA-N 1 2 379.460 3.833 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257288386 206173232 /nfs/dbraw/zinc/17/32/32/206173232.db2.gz PTZWQWYIKKIXOE-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257288386 206173239 /nfs/dbraw/zinc/17/32/39/206173239.db2.gz PTZWQWYIKKIXOE-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000257321710 206180363 /nfs/dbraw/zinc/18/03/63/206180363.db2.gz WCVVBNFUTWACCA-IBGZPJMESA-N 1 2 378.480 3.882 40 0 GHABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000257321710 206180367 /nfs/dbraw/zinc/18/03/67/206180367.db2.gz WCVVBNFUTWACCA-IBGZPJMESA-N 1 2 378.480 3.882 40 0 GHABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257335559 206180969 /nfs/dbraw/zinc/18/09/69/206180969.db2.gz YKRVTXBATLARGW-XMMPIXPASA-N 1 2 393.531 3.983 40 0 GHABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257335559 206180972 /nfs/dbraw/zinc/18/09/72/206180972.db2.gz YKRVTXBATLARGW-XMMPIXPASA-N 1 2 393.531 3.983 40 0 GHABLO CC(C)(C)NC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306138059 206204907 /nfs/dbraw/zinc/20/49/07/206204907.db2.gz RNYSLLLJBDSVCK-GOSISDBHSA-N 1 2 377.492 3.595 40 0 GHABLO CC(C)(C)NC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306138059 206204908 /nfs/dbraw/zinc/20/49/08/206204908.db2.gz RNYSLLLJBDSVCK-GOSISDBHSA-N 1 2 377.492 3.595 40 0 GHABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306131196 206200307 /nfs/dbraw/zinc/20/03/07/206200307.db2.gz JYKUUSPVBAUQMT-OAQYLSRUSA-N 1 2 390.443 3.571 40 0 GHABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306131196 206200312 /nfs/dbraw/zinc/20/03/12/206200312.db2.gz JYKUUSPVBAUQMT-OAQYLSRUSA-N 1 2 390.443 3.571 40 0 GHABLO Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)CC2)nc(C(C)C)[nH+]1 ZINC000014141501 136201528 /nfs/dbraw/zinc/20/15/28/136201528.db2.gz HGIUHXVGGXTPDX-IESGORFISA-N 1 2 394.519 3.987 40 0 GHABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530094 560212873 /nfs/dbraw/zinc/21/28/73/560212873.db2.gz ALQIPBCOPJTNCA-YOEHRIQHSA-N 1 2 399.401 3.582 40 0 biogenic,in-vitro GHABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530094 560212874 /nfs/dbraw/zinc/21/28/74/560212874.db2.gz ALQIPBCOPJTNCA-YOEHRIQHSA-N 1 2 399.401 3.582 40 0 biogenic,in-vitro GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015674652 560231138 /nfs/dbraw/zinc/23/11/38/560231138.db2.gz JQIHFOKMGNWHCW-MJGOQNOKSA-N 1 2 375.428 3.715 40 0 biogenic,in-vitro GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015674652 560231140 /nfs/dbraw/zinc/23/11/40/560231140.db2.gz JQIHFOKMGNWHCW-MJGOQNOKSA-N 1 2 375.428 3.715 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)on2)cc1 ZINC000019718930 570210209 /nfs/dbraw/zinc/21/02/09/570210209.db2.gz ZBZYXBVNUSELJL-UHFFFAOYSA-N 1 2 390.443 3.816 40 0 GHABLO Cc1[nH]c2ccc(NC(=O)CC3CCN(C(=O)Cc4ccccc4)CC3)cc2[nH+]1 ZINC000019748598 570214241 /nfs/dbraw/zinc/21/42/41/570214241.db2.gz JCRPIVBZRACBQY-UHFFFAOYSA-N 1 2 390.487 3.681 40 0 GHABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329050709 570215274 /nfs/dbraw/zinc/21/52/74/570215274.db2.gz UUNNEURQXGSLMO-NRFANRHFSA-N 1 2 392.503 3.615 40 0 GHABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000329069122 570216922 /nfs/dbraw/zinc/21/69/22/570216922.db2.gz YVIZALRBJVGGTR-OAQYLSRUSA-N 1 2 376.504 3.915 40 0 GHABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222616 570318430 /nfs/dbraw/zinc/31/84/30/570318430.db2.gz NVULQDFMFRRODZ-IBGZPJMESA-N 1 2 383.492 3.529 40 0 GHABLO CCCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669614 570367151 /nfs/dbraw/zinc/36/71/51/570367151.db2.gz KLSYYVFICGKTPW-FQEVSTJZSA-N 1 2 386.519 3.981 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669893 570367453 /nfs/dbraw/zinc/36/74/53/570367453.db2.gz NBDXGTPCGITNHU-HXUWFJFHSA-N 1 2 384.572 3.954 40 0 GHABLO CCC[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671149 570368306 /nfs/dbraw/zinc/36/83/06/570368306.db2.gz QAHVATLSCNSWOQ-HXUWFJFHSA-N 1 2 394.523 3.595 40 0 GHABLO CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222750286 570424116 /nfs/dbraw/zinc/42/41/16/570424116.db2.gz YAGYORZVFHMVIW-UXHICEINSA-N 1 2 377.517 3.541 40 0 GHABLO c1ccc(-c2cc(NCCN3CCOCC3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243462669 570457922 /nfs/dbraw/zinc/45/79/22/570457922.db2.gz NIAHSMIZXHHBSF-UHFFFAOYSA-N 1 2 381.524 3.632 40 0 GHABLO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000030350632 570488653 /nfs/dbraw/zinc/48/86/53/570488653.db2.gz VXQKHWGXBIDUGR-MRXNPFEDSA-N 1 2 381.303 3.555 40 0 GHABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1O ZINC000031430160 570504419 /nfs/dbraw/zinc/50/44/19/570504419.db2.gz HRGWMGTYIRQYMO-XOJPMGEXSA-N 1 2 383.444 3.712 40 0 GHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccs1 ZINC000261365180 570788618 /nfs/dbraw/zinc/78/86/18/570788618.db2.gz QPXHTVCLVLWOMS-GOSISDBHSA-O 1 2 399.521 3.614 40 0 GHABLO C[C@@H](C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000019077847 570955159 /nfs/dbraw/zinc/95/51/59/570955159.db2.gz ASPIQIRFXKNLDW-IBGZPJMESA-N 1 2 389.499 3.619 40 0 GHABLO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019133486 570958542 /nfs/dbraw/zinc/95/85/42/570958542.db2.gz QXNFWICIWBSPDX-LJQANCHMSA-N 1 2 376.460 3.898 40 0 GHABLO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335836 570976090 /nfs/dbraw/zinc/97/60/90/570976090.db2.gz IKVDQCKVIBBIHD-MRXNPFEDSA-N 1 2 383.423 3.595 40 0 GHABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccccc2-n2ccnc2)CC1 ZINC000019664348 571027131 /nfs/dbraw/zinc/02/71/31/571027131.db2.gz XNCOUVLEMRTAHY-UHFFFAOYSA-N 1 2 390.487 3.663 40 0 GHABLO Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705513 571031550 /nfs/dbraw/zinc/03/15/50/571031550.db2.gz XGNGHYCMTRZFCD-FQEVSTJZSA-N 1 2 377.467 3.525 40 0 GHABLO Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705513 571031551 /nfs/dbraw/zinc/03/15/51/571031551.db2.gz XGNGHYCMTRZFCD-FQEVSTJZSA-N 1 2 377.467 3.525 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000328964271 571047675 /nfs/dbraw/zinc/04/76/75/571047675.db2.gz BULGMGGIMRBTRF-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO CCOc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)ccc1O ZINC000199427130 1031698289 /nfs/dbraw/zinc/69/82/89/1031698289.db2.gz YONZVWOWKXLTMI-IBGZPJMESA-N 1 2 382.504 3.633 40 0 GHABLO CCOc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)ccc1O ZINC000199427130 1031698299 /nfs/dbraw/zinc/69/82/99/1031698299.db2.gz YONZVWOWKXLTMI-IBGZPJMESA-N 1 2 382.504 3.633 40 0 GHABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CCCC2 ZINC000038857972 205040085 /nfs/dbraw/zinc/04/00/85/205040085.db2.gz ZYFOKEXORSSLTG-UHFFFAOYSA-N 1 2 395.484 3.911 40 0 GHABLO CCCCOC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000044850145 205088232 /nfs/dbraw/zinc/08/82/32/205088232.db2.gz XQFWLYYCXPXSQU-UHFFFAOYSA-N 1 2 396.487 3.728 40 0 GHABLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1 ZINC000072346532 205328930 /nfs/dbraw/zinc/32/89/30/205328930.db2.gz QMORGVQRSCRFBS-UHFFFAOYSA-N 1 2 377.444 3.659 40 0 GHABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350586 205330374 /nfs/dbraw/zinc/33/03/74/205330374.db2.gz WQGWNOAMZADSPM-IBGZPJMESA-N 1 2 389.503 3.564 40 0 GHABLO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1)Nc1nccs1 ZINC000072348899 205331074 /nfs/dbraw/zinc/33/10/74/205331074.db2.gz BEPFUIXOEHMTSS-UHFFFAOYSA-N 1 2 392.528 3.947 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353337 205332783 /nfs/dbraw/zinc/33/27/83/205332783.db2.gz FNYCFGGWLQMXOM-KRWDZBQOSA-N 1 2 390.491 3.590 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379020 205340266 /nfs/dbraw/zinc/34/02/66/205340266.db2.gz XJCCKXVETTYJDZ-IBGZPJMESA-N 1 2 376.460 3.572 40 0 GHABLO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225063162 206036296 /nfs/dbraw/zinc/03/62/96/206036296.db2.gz CYKXXARUGJOLED-UHFFFAOYSA-N 1 2 393.472 3.705 40 0 GHABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225605070 206061372 /nfs/dbraw/zinc/06/13/72/206061372.db2.gz FKUDXQWQIYQPFS-KRWDZBQOSA-N 1 2 375.472 3.835 40 0 GHABLO CC(=O)N1CCC(c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3F)c2)CC1 ZINC000257290273 206173899 /nfs/dbraw/zinc/17/38/99/206173899.db2.gz QCFXPDGSPFMGHA-UHFFFAOYSA-N 1 2 393.466 3.949 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)cc1 ZINC000257257533 206168197 /nfs/dbraw/zinc/16/81/97/206168197.db2.gz KQAXGXQIWGSNRH-JOCHJYFZSA-N 1 2 399.441 3.883 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)cc1 ZINC000257257533 206168200 /nfs/dbraw/zinc/16/82/00/206168200.db2.gz KQAXGXQIWGSNRH-JOCHJYFZSA-N 1 2 399.441 3.883 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257255296 206168714 /nfs/dbraw/zinc/16/87/14/206168714.db2.gz KGYZIKPGIWXNDD-SFHVURJKSA-N 1 2 384.867 3.869 40 0 GHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257327526 206179326 /nfs/dbraw/zinc/17/93/26/206179326.db2.gz XBRZPUREGFPXSA-NRFANRHFSA-N 1 2 382.895 3.633 40 0 GHABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257327526 206179331 /nfs/dbraw/zinc/17/93/31/206179331.db2.gz XBRZPUREGFPXSA-NRFANRHFSA-N 1 2 382.895 3.633 40 0 GHABLO O=C(c1ccoc1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306140661 206205255 /nfs/dbraw/zinc/20/52/55/206205255.db2.gz UZXAZMPDAKRLAM-OAQYLSRUSA-N 1 2 384.439 3.707 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306125001 206196595 /nfs/dbraw/zinc/19/65/95/206196595.db2.gz CEGZCGAYZJEYKX-KNQAVFIVSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306125001 206196601 /nfs/dbraw/zinc/19/66/01/206196601.db2.gz CEGZCGAYZJEYKX-KNQAVFIVSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306128503 206199652 /nfs/dbraw/zinc/19/96/52/206199652.db2.gz HCJRLXOMINORPK-QHCPKHFHSA-N 1 2 399.498 3.982 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306128503 206199657 /nfs/dbraw/zinc/19/96/57/206199657.db2.gz HCJRLXOMINORPK-QHCPKHFHSA-N 1 2 399.498 3.982 40 0 GHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306132391 206200653 /nfs/dbraw/zinc/20/06/53/206200653.db2.gz LHIMZLGTCFCALH-UGKGYDQZSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306132391 206200657 /nfs/dbraw/zinc/20/06/57/206200657.db2.gz LHIMZLGTCFCALH-UGKGYDQZSA-N 1 2 395.480 3.711 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306131738 206201279 /nfs/dbraw/zinc/20/12/79/206201279.db2.gz KOGWDSGFBLFTQO-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306131738 206201281 /nfs/dbraw/zinc/20/12/81/206201281.db2.gz KOGWDSGFBLFTQO-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306137117 206203554 /nfs/dbraw/zinc/20/35/54/206203554.db2.gz QLYNBRQTCOZIBL-SIKLNZKXSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306137117 206203557 /nfs/dbraw/zinc/20/35/57/206203557.db2.gz QLYNBRQTCOZIBL-SIKLNZKXSA-N 1 2 394.471 3.643 40 0 GHABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057711744 136153830 /nfs/dbraw/zinc/15/38/30/136153830.db2.gz QENULRRWVIKHNH-UHFFFAOYSA-N 1 2 397.519 3.635 40 0 GHABLO CC(C)C[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505224 136201067 /nfs/dbraw/zinc/20/10/67/136201067.db2.gz QLQBGZXIFQTVTI-FQEVSTJZSA-N 1 2 396.564 3.692 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020139933 136202533 /nfs/dbraw/zinc/20/25/33/136202533.db2.gz CNRCJCBOLKXPQG-NRFANRHFSA-N 1 2 390.535 3.730 40 0 GHABLO Fc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015675672 560094921 /nfs/dbraw/zinc/09/49/21/560094921.db2.gz CWEBHIBVAPMEJR-FQEVSTJZSA-N 1 2 389.434 3.822 40 0 biogenic,in-vitro GHABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328993822 570211156 /nfs/dbraw/zinc/21/11/56/570211156.db2.gz JCQVLTNUSHMHPM-UHFFFAOYSA-N 1 2 389.503 3.748 40 0 GHABLO Cc1[nH]c2ccc(NC(=O)CC3CCN(c4nc(C)cc(C)n4)CC3)cc2[nH+]1 ZINC000019748633 570214347 /nfs/dbraw/zinc/21/43/47/570214347.db2.gz DASNEXWOFCGTSA-UHFFFAOYSA-N 1 2 378.480 3.523 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329065621 570216002 /nfs/dbraw/zinc/21/60/02/570216002.db2.gz XSOWDVMQTKKCHB-LBPRGKRZSA-N 1 2 389.286 3.831 40 0 GHABLO OCCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329068055 570216466 /nfs/dbraw/zinc/21/64/66/570216466.db2.gz YNNFXOCKJYWPGZ-UHFFFAOYSA-N 1 2 388.393 3.544 40 0 GHABLO Cc1cccc(Nc2cc(C3CCN(C(=O)C=Cc4c[nH]c[nH+]4)CC3)ccn2)n1 ZINC000585290602 570258945 /nfs/dbraw/zinc/25/89/45/570258945.db2.gz DGDCEWSYUGJUEP-AATRIKPKSA-N 1 2 388.475 3.671 40 0 GHABLO Cn1c[nH+]c(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000585295133 570274956 /nfs/dbraw/zinc/27/49/56/570274956.db2.gz MTOCNJYEYGHBHZ-KRWDZBQOSA-N 1 2 385.468 3.605 40 0 GHABLO COc1ccccc1CC[N@@H+]1CCOc2nc3c(OC)ccc(OC)c3cc2C1 ZINC000057719003 570371406 /nfs/dbraw/zinc/37/14/06/570371406.db2.gz PZUWYBSJHPKEHS-UHFFFAOYSA-N 1 2 394.471 3.698 40 0 GHABLO COc1ccccc1CC[N@H+]1CCOc2nc3c(OC)ccc(OC)c3cc2C1 ZINC000057719003 570371407 /nfs/dbraw/zinc/37/14/07/570371407.db2.gz PZUWYBSJHPKEHS-UHFFFAOYSA-N 1 2 394.471 3.698 40 0 GHABLO CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222795664 570426180 /nfs/dbraw/zinc/42/61/80/570426180.db2.gz VTHXTYQVVYMRLX-LEWJYISDSA-N 1 2 391.544 3.931 40 0 GHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000908882 570517691 /nfs/dbraw/zinc/51/76/91/570517691.db2.gz CZNSOOYSRXAYMH-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO CC1CC[NH+]([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004847669 570634362 /nfs/dbraw/zinc/63/43/62/570634362.db2.gz GVFSZYDYMWIZQW-HXUWFJFHSA-N 1 2 383.446 3.821 40 0 GHABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CC[N@H+](C)C2 ZINC000008204865 570765362 /nfs/dbraw/zinc/76/53/62/570765362.db2.gz MBDNAHXBIOKIHQ-BQYQJAHWSA-N 1 2 390.892 3.828 40 0 GHABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000008204865 570765363 /nfs/dbraw/zinc/76/53/63/570765363.db2.gz MBDNAHXBIOKIHQ-BQYQJAHWSA-N 1 2 390.892 3.828 40 0 GHABLO CCOC(=O)N1CC[NH+]([C@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000014608358 570894102 /nfs/dbraw/zinc/89/41/02/570894102.db2.gz OFXFYYKABUMVBB-MRXNPFEDSA-N 1 2 379.460 3.597 40 0 GHABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(Cc1c[nH+]cn1C)CC2 ZINC000019291835 570972097 /nfs/dbraw/zinc/97/20/97/570972097.db2.gz UEJFGOIHHBRKJA-QFIPXVFZSA-N 1 2 381.451 3.724 40 0 GHABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000019588982 571016311 /nfs/dbraw/zinc/01/63/11/571016311.db2.gz MEMBWAIPFHQYGK-IBGZPJMESA-N 1 2 396.560 3.772 40 0 GHABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000019588982 571016313 /nfs/dbraw/zinc/01/63/13/571016313.db2.gz MEMBWAIPFHQYGK-IBGZPJMESA-N 1 2 396.560 3.772 40 0 GHABLO CCc1cc(C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)c2c(C)noc2n1 ZINC000019714523 571036069 /nfs/dbraw/zinc/03/60/69/571036069.db2.gz TXQBOEKJWWCRCU-UHFFFAOYSA-N 1 2 377.448 3.559 40 0 GHABLO Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000019117687 204626196 /nfs/dbraw/zinc/62/61/96/204626196.db2.gz NXAHJCSUBYJXLF-INIZCTEOSA-N 1 2 381.505 3.506 40 0 GHABLO O=C(C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2)c1c[nH]c2ccc(F)cc12 ZINC000057823365 205161374 /nfs/dbraw/zinc/16/13/74/205161374.db2.gz ATPCRSOFVRLVCM-UHFFFAOYSA-N 1 2 392.430 3.990 40 0 GHABLO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223668075 206004549 /nfs/dbraw/zinc/00/45/49/206004549.db2.gz YOLKOFKKJXUCLZ-UHFFFAOYSA-N 1 2 396.531 3.625 40 0 GHABLO CC(=O)N1CCC(c2n[nH]cc2-c2cc[nH+]c(NCc3cccc(C)n3)c2)CC1 ZINC000257201001 206157783 /nfs/dbraw/zinc/15/77/83/206157783.db2.gz AFSRULGNXFKPHH-UHFFFAOYSA-N 1 2 390.491 3.513 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257219977 206161361 /nfs/dbraw/zinc/16/13/61/206161361.db2.gz DJAVTGQWZXROHT-KRWDZBQOSA-N 1 2 393.466 3.532 40 0 GHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257220290 206161598 /nfs/dbraw/zinc/16/15/98/206161598.db2.gz DKHBKOUHDXOKEL-OAQYLSRUSA-N 1 2 382.895 3.633 40 0 GHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257220290 206161601 /nfs/dbraw/zinc/16/16/01/206161601.db2.gz DKHBKOUHDXOKEL-OAQYLSRUSA-N 1 2 382.895 3.633 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 ZINC000257268630 206169115 /nfs/dbraw/zinc/16/91/15/206169115.db2.gz MMNALPYPGURIEI-SFHVURJKSA-N 1 2 398.536 3.688 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 ZINC000257268630 206169120 /nfs/dbraw/zinc/16/91/20/206169120.db2.gz MMNALPYPGURIEI-SFHVURJKSA-N 1 2 398.536 3.688 40 0 GHABLO O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057413336 206210060 /nfs/dbraw/zinc/21/00/60/206210060.db2.gz FTDCKTYKRUBVDT-UHFFFAOYSA-N 1 2 380.879 3.688 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329026604 570213809 /nfs/dbraw/zinc/21/38/09/570213809.db2.gz PNOIRALYUDZVKH-FQEVSTJZSA-N 1 2 398.457 3.885 40 0 GHABLO CCOc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OCC ZINC000022519827 570319959 /nfs/dbraw/zinc/31/99/59/570319959.db2.gz HSDPFOUQSLZIBM-UHFFFAOYSA-N 1 2 393.487 3.919 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c2ccccc12 ZINC000019130225 570958264 /nfs/dbraw/zinc/95/82/64/570958264.db2.gz LISWKPCTEPFWIX-UHFFFAOYSA-N 1 2 388.471 3.506 40 0 GHABLO COc1ccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c2ccccc12 ZINC000019130225 570958269 /nfs/dbraw/zinc/95/82/69/570958269.db2.gz LISWKPCTEPFWIX-UHFFFAOYSA-N 1 2 388.471 3.506 40 0 GHABLO CCc1ccccc1Nc1noc2c1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC000019523046 570995278 /nfs/dbraw/zinc/99/52/78/570995278.db2.gz RBUWEWYIVRBYQN-OAHLLOKOSA-N 1 2 379.464 3.713 40 0 GHABLO CCCc1[nH+]c2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2n1C ZINC000019525497 570997133 /nfs/dbraw/zinc/99/71/33/570997133.db2.gz IIXVZSVOJMWLHT-UHFFFAOYSA-N 1 2 376.460 3.905 40 0 GHABLO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@H+](C)Cc3nccn3CC)cc2)C1 ZINC000019711934 856425989 /nfs/dbraw/zinc/42/59/89/856425989.db2.gz FFFGFJDISMNWGM-YADHBBJMSA-N 1 2 398.551 3.624 40 0 GHABLO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@@H+](C)Cc3nccn3CC)cc2)C1 ZINC000019711934 856425998 /nfs/dbraw/zinc/42/59/98/856425998.db2.gz FFFGFJDISMNWGM-YADHBBJMSA-N 1 2 398.551 3.624 40 0 GHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)nc1 ZINC000072353399 205332902 /nfs/dbraw/zinc/33/29/02/205332902.db2.gz BUZQRHGTFTULRQ-KRWDZBQOSA-N 1 2 388.475 3.526 40 0 GHABLO CCn1ccnc1C[NH+]1CCC(c2nccnc2Oc2ccccc2OC)CC1 ZINC000072363221 205336601 /nfs/dbraw/zinc/33/66/01/205336601.db2.gz YBDMDQLRFLKREB-UHFFFAOYSA-N 1 2 393.491 3.874 40 0 GHABLO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374510 205337880 /nfs/dbraw/zinc/33/78/80/205337880.db2.gz XQHNZFHEDSHNDO-GOSISDBHSA-N 1 2 396.470 3.693 40 0 GHABLO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374510 205337884 /nfs/dbraw/zinc/33/78/84/205337884.db2.gz XQHNZFHEDSHNDO-GOSISDBHSA-N 1 2 396.470 3.693 40 0 GHABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1OC ZINC000257307219 206175879 /nfs/dbraw/zinc/17/58/79/206175879.db2.gz SXRWKUDNZLPIFQ-KRWDZBQOSA-N 1 2 380.448 3.876 40 0 GHABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1OC ZINC000257307219 206175884 /nfs/dbraw/zinc/17/58/84/206175884.db2.gz SXRWKUDNZLPIFQ-KRWDZBQOSA-N 1 2 380.448 3.876 40 0 GHABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccc(F)cc3)c2)C1 ZINC000257257122 206167528 /nfs/dbraw/zinc/16/75/28/206167528.db2.gz KODNWOHCMQVRNW-QGZVFWFLSA-N 1 2 379.439 3.559 40 0 GHABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257266556 206169391 /nfs/dbraw/zinc/16/93/91/206169391.db2.gz MDNJPVYIBTYCNL-HSZRJFAPSA-N 1 2 388.515 3.707 40 0 GHABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257266556 206169394 /nfs/dbraw/zinc/16/93/94/206169394.db2.gz MDNJPVYIBTYCNL-HSZRJFAPSA-N 1 2 388.515 3.707 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)cnn1C ZINC000257327980 206179618 /nfs/dbraw/zinc/17/96/18/206179618.db2.gz XDQYCNBLKXXWPU-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)cnn1C ZINC000257327980 206179621 /nfs/dbraw/zinc/17/96/21/206179621.db2.gz XDQYCNBLKXXWPU-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1cnc(C(=O)N2CCC3(CCc4[nH+]cc(-c5ccsc5)n4C3)CC2)cn1 ZINC000306141209 206208005 /nfs/dbraw/zinc/20/80/05/206208005.db2.gz VOLYCBWQFNMISZ-UHFFFAOYSA-N 1 2 393.516 3.579 40 0 GHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3[NH2+]Cc2nccs2)cc1 ZINC000306124608 206196897 /nfs/dbraw/zinc/19/68/97/206196897.db2.gz BUGBKOSGORHNHO-CQSZACIVSA-N 1 2 380.395 3.709 40 0 GHABLO CN1CC[N@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306136774 206202418 /nfs/dbraw/zinc/20/24/18/206202418.db2.gz QCWDXKIBPXIIOW-NRFANRHFSA-N 1 2 391.450 3.617 40 0 GHABLO CN1CC[N@@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306136774 206202422 /nfs/dbraw/zinc/20/24/22/206202422.db2.gz QCWDXKIBPXIIOW-NRFANRHFSA-N 1 2 391.450 3.617 40 0 GHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000224146004 136206393 /nfs/dbraw/zinc/20/63/93/136206393.db2.gz QIWMNNCKNKTYHP-UHFFFAOYSA-N 1 2 392.866 3.969 40 0 GHABLO COc1ccc(CSCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408564595 533730800 /nfs/dbraw/zinc/73/08/00/533730800.db2.gz XOTSWCUDNKZSDY-VMPITWQZSA-N 1 2 396.556 3.786 40 0 GHABLO COc1ccccc1N1CC[NH+]([C@H](CC(C)C)c2nnnn2C2CCCC2)CC1 ZINC000057669631 537069859 /nfs/dbraw/zinc/06/98/59/537069859.db2.gz VKPYMYSQUGUFBJ-HXUWFJFHSA-N 1 2 398.555 3.706 40 0 GHABLO Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)cc1 ZINC000585293989 570263576 /nfs/dbraw/zinc/26/35/76/570263576.db2.gz CJGNTWPTKGEAIU-GOSISDBHSA-N 1 2 381.505 3.774 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000100731767 570275380 /nfs/dbraw/zinc/27/53/80/570275380.db2.gz ALFNEIFVVKTJIC-KGLIPLIRSA-N 1 2 386.858 3.668 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000100731767 570275382 /nfs/dbraw/zinc/27/53/82/570275382.db2.gz ALFNEIFVVKTJIC-KGLIPLIRSA-N 1 2 386.858 3.668 40 0 GHABLO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769459 570277531 /nfs/dbraw/zinc/27/75/31/570277531.db2.gz BJQCOQFQJCHSGD-JOCHJYFZSA-N 1 2 398.482 3.955 40 0 GHABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1Cl ZINC000216294670 570298498 /nfs/dbraw/zinc/29/84/98/570298498.db2.gz SLBPMVYPFFJACV-UHFFFAOYSA-N 1 2 382.272 3.658 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N2CCCCC2)cc1 ZINC000072216112 570317016 /nfs/dbraw/zinc/31/70/16/570317016.db2.gz WOAJVYPLBBPYMF-FQEVSTJZSA-N 1 2 385.533 3.906 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408572729 570336211 /nfs/dbraw/zinc/33/62/11/570336211.db2.gz HYHYBBLYEGWXEI-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO Cc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccc(C)cc2)cc1 ZINC000024479054 570403426 /nfs/dbraw/zinc/40/34/26/570403426.db2.gz VMKAIXWOUTXEGU-UHFFFAOYSA-N 1 2 394.544 3.975 40 0 GHABLO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000005626067 570665385 /nfs/dbraw/zinc/66/53/85/570665385.db2.gz KIAAGGYCNLIWAR-UHFFFAOYSA-N 1 2 378.476 3.698 40 0 GHABLO COCCn1cnc2cc(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)ccc21 ZINC000019453819 570986435 /nfs/dbraw/zinc/98/64/35/570986435.db2.gz PHSAUDJFWZJMDE-UHFFFAOYSA-N 1 2 391.475 3.945 40 0 GHABLO COc1ccc(Cc2cnc(NC(=O)c3ccc(Cn4cc[nH+]c4)o3)s2)cc1 ZINC000019555966 571003360 /nfs/dbraw/zinc/00/33/60/571003360.db2.gz RKZCWTHLAOQZRA-UHFFFAOYSA-N 1 2 394.456 3.833 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328969933 571047853 /nfs/dbraw/zinc/04/78/53/571047853.db2.gz DGLCVWMJJRQXOR-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO CCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035291447 204156304 /nfs/dbraw/zinc/15/63/04/204156304.db2.gz CFVUBJYMUHUNSE-QGZVFWFLSA-N 1 2 376.936 3.879 40 0 GHABLO COc1ccc(C2(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012115014 204372287 /nfs/dbraw/zinc/37/22/87/204372287.db2.gz RLGPMZIVRRFMFK-LJQANCHMSA-N 1 2 397.425 3.644 40 0 GHABLO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000061198732 205181029 /nfs/dbraw/zinc/18/10/29/205181029.db2.gz BUSABUAMCINBGO-UHFFFAOYSA-N 1 2 385.471 3.664 40 0 GHABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000096111927 206116815 /nfs/dbraw/zinc/11/68/15/206116815.db2.gz QIZVUDTXAWHOMI-RDJZCZTQSA-N 1 2 376.378 3.704 40 0 biogenic,in-vitro GHABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000096111927 206116822 /nfs/dbraw/zinc/11/68/22/206116822.db2.gz QIZVUDTXAWHOMI-RDJZCZTQSA-N 1 2 376.378 3.704 40 0 biogenic,in-vitro GHABLO Cc1nc(C(=O)N2CC[C@]3(Cc4[nH+]cc(-c5ccc(F)cc5)n4C3)C2)cs1 ZINC000306139650 206205552 /nfs/dbraw/zinc/20/55/52/206205552.db2.gz TWPKEOKAWXMKHN-FQEVSTJZSA-N 1 2 382.464 3.543 40 0 GHABLO COc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306132388 206201888 /nfs/dbraw/zinc/20/18/88/206201888.db2.gz LHIMZLGTCFCALH-DENIHFKCSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306132388 206201891 /nfs/dbraw/zinc/20/18/91/206201891.db2.gz LHIMZLGTCFCALH-DENIHFKCSA-N 1 2 395.480 3.711 40 0 GHABLO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc12 ZINC000013563058 136201288 /nfs/dbraw/zinc/20/12/88/136201288.db2.gz LRRYKQISDRHQSB-HXUWFJFHSA-N 1 2 377.488 3.718 40 0 GHABLO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccccc1)C[N@@H+](C)CC2 ZINC000408563380 533702845 /nfs/dbraw/zinc/70/28/45/533702845.db2.gz MGQFJWLKRVJDRX-GFCCVEGCSA-N 1 2 390.530 3.642 40 0 GHABLO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccccc1)C[N@H+](C)CC2 ZINC000408563380 533702853 /nfs/dbraw/zinc/70/28/53/533702853.db2.gz MGQFJWLKRVJDRX-GFCCVEGCSA-N 1 2 390.530 3.642 40 0 GHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675975 560094716 /nfs/dbraw/zinc/09/47/16/560094716.db2.gz WPJPVPHYLBGQIF-KRWDZBQOSA-N 1 2 395.463 3.531 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675975 560094717 /nfs/dbraw/zinc/09/47/17/560094717.db2.gz WPJPVPHYLBGQIF-KRWDZBQOSA-N 1 2 395.463 3.531 40 0 biogenic,in-vitro GHABLO CCCn1ncc2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc21 ZINC000019743652 570213329 /nfs/dbraw/zinc/21/33/29/570213329.db2.gz SVWDBHCRZKPFSS-KRWDZBQOSA-N 1 2 395.482 3.799 40 0 GHABLO CCCn1ncc2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc21 ZINC000019743652 570213331 /nfs/dbraw/zinc/21/33/31/570213331.db2.gz SVWDBHCRZKPFSS-KRWDZBQOSA-N 1 2 395.482 3.799 40 0 GHABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccco3)nc(NC3CC3)[nH+]2)c1 ZINC000329055518 570215582 /nfs/dbraw/zinc/21/55/82/570215582.db2.gz VPACBVHHQORQMI-UHFFFAOYSA-N 1 2 390.365 3.665 40 0 GHABLO CCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669483 570366789 /nfs/dbraw/zinc/36/67/89/570366789.db2.gz BXCJZRZVOPDDFF-OAQYLSRUSA-N 1 2 398.555 3.850 40 0 GHABLO COc1ccccc1N1CC[NH+]([C@@H](CC(C)C)c2nnnn2C2CCCC2)CC1 ZINC000057669628 570367016 /nfs/dbraw/zinc/36/70/16/570367016.db2.gz VKPYMYSQUGUFBJ-FQEVSTJZSA-N 1 2 398.555 3.706 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1C ZINC000057669583 570367022 /nfs/dbraw/zinc/36/70/22/570367022.db2.gz GASGGZLVVMRZJF-NRFANRHFSA-N 1 2 382.556 3.924 40 0 GHABLO CC(C)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023227775 570391442 /nfs/dbraw/zinc/39/14/42/570391442.db2.gz QNQFRLJMUBTNIU-UHFFFAOYSA-N 1 2 394.515 3.816 40 0 GHABLO [NH3+]c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000225323633 570564742 /nfs/dbraw/zinc/56/47/42/570564742.db2.gz YOXHJUAZJOYPLQ-UHFFFAOYSA-N 1 2 387.483 3.879 40 0 GHABLO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019136126 570959073 /nfs/dbraw/zinc/95/90/73/570959073.db2.gz GWIBRNVPNKFWLL-UTKZUKDTSA-N 1 2 378.520 3.630 40 0 GHABLO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019136126 570959078 /nfs/dbraw/zinc/95/90/78/570959078.db2.gz GWIBRNVPNKFWLL-UTKZUKDTSA-N 1 2 378.520 3.630 40 0 GHABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019240329 570968864 /nfs/dbraw/zinc/96/88/64/570968864.db2.gz JBYOBQNBJPDBHQ-UHFFFAOYSA-N 1 2 393.434 3.844 40 0 GHABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019240329 570968867 /nfs/dbraw/zinc/96/88/67/570968867.db2.gz JBYOBQNBJPDBHQ-UHFFFAOYSA-N 1 2 393.434 3.844 40 0 GHABLO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000019552084 571001510 /nfs/dbraw/zinc/00/15/10/571001510.db2.gz IBWZRUFVUKRAMN-XLIONFOSSA-N 1 2 395.503 3.679 40 0 GHABLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019551619 571001516 /nfs/dbraw/zinc/00/15/16/571001516.db2.gz NRELGORXQNUTQX-QFIPXVFZSA-N 1 2 382.435 3.965 40 0 GHABLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019551619 571001520 /nfs/dbraw/zinc/00/15/20/571001520.db2.gz NRELGORXQNUTQX-QFIPXVFZSA-N 1 2 382.435 3.965 40 0 GHABLO COc1cccc([C@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2cc(C)on2)c1 ZINC000019715915 571037790 /nfs/dbraw/zinc/03/77/90/571037790.db2.gz IISHRMJEGPZHSS-QFIPXVFZSA-N 1 2 377.444 3.578 40 0 GHABLO COc1cccc([C@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2cc(C)on2)c1 ZINC000019715915 571037795 /nfs/dbraw/zinc/03/77/95/571037795.db2.gz IISHRMJEGPZHSS-QFIPXVFZSA-N 1 2 377.444 3.578 40 0 GHABLO Cc1cc2[nH]c(CCNC(=O)c3cccc(Nc4ncccn4)c3)[nH+]c2cc1C ZINC000019716374 571038404 /nfs/dbraw/zinc/03/84/04/571038404.db2.gz WDATWKDTGLCNCK-UHFFFAOYSA-N 1 2 386.459 3.686 40 0 GHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000019694874 860323775 /nfs/dbraw/zinc/32/37/75/860323775.db2.gz RKVLYWJSCISCMY-UHFFFAOYSA-N 1 2 386.499 3.983 40 0 GHABLO O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000622058388 860327226 /nfs/dbraw/zinc/32/72/26/860327226.db2.gz CEQPMYJUURXFHJ-CZUORRHYSA-N 1 2 388.880 3.704 40 0 GHABLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000036713597 204324328 /nfs/dbraw/zinc/32/43/28/204324328.db2.gz LEDCYKNYWBNCCU-VBQJREDUSA-N 1 2 397.357 3.830 40 0 GHABLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000036713597 204324332 /nfs/dbraw/zinc/32/43/32/204324332.db2.gz LEDCYKNYWBNCCU-VBQJREDUSA-N 1 2 397.357 3.830 40 0 GHABLO O=C(Nc1ccc(Br)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044899819 205089939 /nfs/dbraw/zinc/08/99/39/205089939.db2.gz HYWNFJAQLXNRLZ-UHFFFAOYSA-N 1 2 375.266 3.534 40 0 GHABLO COc1cc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1 ZINC000059605716 205179983 /nfs/dbraw/zinc/17/99/83/205179983.db2.gz XDNOQVAIBPOCGE-RMKNXTFCSA-N 1 2 381.476 3.567 40 0 GHABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360215 205334234 /nfs/dbraw/zinc/33/42/34/205334234.db2.gz TYAGJAMBHXAYHO-INIZCTEOSA-N 1 2 381.509 3.675 40 0 GHABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360215 205334237 /nfs/dbraw/zinc/33/42/37/205334237.db2.gz TYAGJAMBHXAYHO-INIZCTEOSA-N 1 2 381.509 3.675 40 0 GHABLO C[C@]12C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395022 205343988 /nfs/dbraw/zinc/34/39/88/205343988.db2.gz OPLVPZVJLAWGJS-XLIONFOSSA-N 1 2 388.389 3.522 40 0 GHABLO C[C@]12C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395022 205343992 /nfs/dbraw/zinc/34/39/92/205343992.db2.gz OPLVPZVJLAWGJS-XLIONFOSSA-N 1 2 388.389 3.522 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCC[C@@H]2C)cc1C ZINC000001346406 205709703 /nfs/dbraw/zinc/70/97/03/205709703.db2.gz HDYJBAWOPWVCJF-INIZCTEOSA-N 1 2 395.532 3.925 40 0 GHABLO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224866585 206029543 /nfs/dbraw/zinc/02/95/43/206029543.db2.gz CVDGCASDWQFEPK-UHFFFAOYSA-N 1 2 393.834 3.565 40 0 GHABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c1Cl ZINC000225220103 206042150 /nfs/dbraw/zinc/04/21/50/206042150.db2.gz PSFRBRQIJNBFLU-UHFFFAOYSA-N 1 2 375.925 3.869 40 0 GHABLO F[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112149 206115835 /nfs/dbraw/zinc/11/58/35/206115835.db2.gz CJDQRCWHROUQQQ-ZBFHGGJFSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO F[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112149 206115841 /nfs/dbraw/zinc/11/58/41/206115841.db2.gz CJDQRCWHROUQQQ-ZBFHGGJFSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257301389 206175497 /nfs/dbraw/zinc/17/54/97/206175497.db2.gz RYHDCJDAINKZOR-KRWDZBQOSA-N 1 2 377.492 3.651 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C ZINC000257269535 206170462 /nfs/dbraw/zinc/17/04/62/206170462.db2.gz MQJRNWMYJLWASL-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C ZINC000257269535 206170466 /nfs/dbraw/zinc/17/04/66/206170466.db2.gz MQJRNWMYJLWASL-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO CO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257326435 206180406 /nfs/dbraw/zinc/18/04/06/206180406.db2.gz WXENVZJDTYLADZ-IFMALSPDSA-N 1 2 396.512 3.696 40 0 GHABLO CO[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257326435 206180411 /nfs/dbraw/zinc/18/04/11/206180411.db2.gz WXENVZJDTYLADZ-IFMALSPDSA-N 1 2 396.512 3.696 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306126187 206197207 /nfs/dbraw/zinc/19/72/07/206197207.db2.gz DPCNZDCLKRZQAY-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306126187 206197212 /nfs/dbraw/zinc/19/72/12/206197212.db2.gz DPCNZDCLKRZQAY-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO CCCN(CC)C(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306124709 206197860 /nfs/dbraw/zinc/19/78/60/206197860.db2.gz BXHJIOYNRKIQQR-FQEVSTJZSA-N 1 2 391.519 3.939 40 0 GHABLO CCCN(CC)C(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306124709 206197864 /nfs/dbraw/zinc/19/78/64/206197864.db2.gz BXHJIOYNRKIQQR-FQEVSTJZSA-N 1 2 391.519 3.939 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306133151 206201439 /nfs/dbraw/zinc/20/14/39/206201439.db2.gz MDPNJICQZZZHTG-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306133151 206201442 /nfs/dbraw/zinc/20/14/42/206201442.db2.gz MDPNJICQZZZHTG-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020139936 136202497 /nfs/dbraw/zinc/20/24/97/136202497.db2.gz CNRCJCBOLKXPQG-OAQYLSRUSA-N 1 2 390.535 3.730 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328994400 570211222 /nfs/dbraw/zinc/21/12/22/570211222.db2.gz JCZZIQBVLXUZJY-LBPRGKRZSA-N 1 2 389.286 3.831 40 0 GHABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329029749 570213678 /nfs/dbraw/zinc/21/36/78/570213678.db2.gz QASZLKPPKUTWPM-HXUWFJFHSA-N 1 2 392.503 3.615 40 0 GHABLO OCCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329035876 570214120 /nfs/dbraw/zinc/21/41/20/570214120.db2.gz RGGIBBXJICWKKR-UHFFFAOYSA-N 1 2 388.393 3.544 40 0 GHABLO CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21[NH2+]CCO1 ZINC000022362796 570343213 /nfs/dbraw/zinc/34/32/13/570343213.db2.gz VLKMYKHTGWTPPD-BJKOFHAPSA-N 1 2 376.500 3.857 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)[NH+]1CCCCCC1 ZINC000004968377 570654536 /nfs/dbraw/zinc/65/45/36/570654536.db2.gz AFPOJMPPYPABFX-IBGZPJMESA-N 1 2 387.528 3.801 40 0 GHABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000019286742 570970205 /nfs/dbraw/zinc/97/02/05/570970205.db2.gz BAOWGTXMGWUFHQ-CYBMUJFWSA-N 1 2 395.894 3.869 40 0 GHABLO Cc1cc(C)n(-c2ccc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)cc2)n1 ZINC000019659997 571025530 /nfs/dbraw/zinc/02/55/30/571025530.db2.gz JBDRDPUEUAEOIR-UHFFFAOYSA-N 1 2 387.487 3.955 40 0 GHABLO CNc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372192 205338516 /nfs/dbraw/zinc/33/85/16/205338516.db2.gz RHJCAXOEBPXZHD-IBGZPJMESA-N 1 2 385.556 3.530 40 0 GHABLO CNc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372192 205338519 /nfs/dbraw/zinc/33/85/19/205338519.db2.gz RHJCAXOEBPXZHD-IBGZPJMESA-N 1 2 385.556 3.530 40 0 GHABLO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225744956 206072540 /nfs/dbraw/zinc/07/25/40/206072540.db2.gz MOFAHEWIMUNCKO-QFIPXVFZSA-N 1 2 392.540 3.712 40 0 GHABLO Cc1ccc2oc(=O)c(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2c1 ZINC000226037774 206086982 /nfs/dbraw/zinc/08/69/82/206086982.db2.gz XMQUEENQSGFTFA-VMPITWQZSA-N 1 2 388.467 3.573 40 0 GHABLO F[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112249 206116652 /nfs/dbraw/zinc/11/66/52/206116652.db2.gz LMEAAGGZAZBCBA-PBHICJAKSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO F[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112249 206116656 /nfs/dbraw/zinc/11/66/56/206116656.db2.gz LMEAAGGZAZBCBA-PBHICJAKSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 ZINC000257323243 206180349 /nfs/dbraw/zinc/18/03/49/206180349.db2.gz WJHONWABDDCOHK-QHCPKHFHSA-N 1 2 376.504 3.771 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 ZINC000257323243 206180354 /nfs/dbraw/zinc/18/03/54/206180354.db2.gz WJHONWABDDCOHK-QHCPKHFHSA-N 1 2 376.504 3.771 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306127008 206197145 /nfs/dbraw/zinc/19/71/45/206197145.db2.gz FLJLGRLPYUUMSH-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306127008 206197149 /nfs/dbraw/zinc/19/71/49/206197149.db2.gz FLJLGRLPYUUMSH-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306134769 206203565 /nfs/dbraw/zinc/20/35/65/206203565.db2.gz NXTOUFDGIQVKTC-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306134769 206203570 /nfs/dbraw/zinc/20/35/70/206203570.db2.gz NXTOUFDGIQVKTC-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO CNc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328987603 570210904 /nfs/dbraw/zinc/21/09/04/570210904.db2.gz IBEACKZQDYUJQV-UHFFFAOYSA-N 1 2 378.329 3.810 40 0 GHABLO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020485751 570262008 /nfs/dbraw/zinc/26/20/08/570262008.db2.gz YPMXVPADDAYKLJ-HDFUYHJRSA-N 1 2 394.515 3.710 40 0 GHABLO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000020487010 570262466 /nfs/dbraw/zinc/26/24/66/570262466.db2.gz VCIVHMNYUDHWHJ-OAHLLOKOSA-N 1 2 397.500 3.687 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1C ZINC000057669581 570367212 /nfs/dbraw/zinc/36/72/12/570367212.db2.gz GASGGZLVVMRZJF-OAQYLSRUSA-N 1 2 382.556 3.924 40 0 GHABLO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030756784 570495250 /nfs/dbraw/zinc/49/52/50/570495250.db2.gz VALXWFSENHUJSG-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)CC2CCCCC2)CC3)c1 ZINC000585111173 570945114 /nfs/dbraw/zinc/94/51/14/570945114.db2.gz HOOKQRYVDUNNHS-UHFFFAOYSA-N 1 2 394.519 3.864 40 0 GHABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC ZINC000019215102 570961367 /nfs/dbraw/zinc/96/13/67/570961367.db2.gz GBSBTDIXFHRDGY-KRWDZBQOSA-N 1 2 380.448 3.794 40 0 GHABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC ZINC000019215102 570961370 /nfs/dbraw/zinc/96/13/70/570961370.db2.gz GBSBTDIXFHRDGY-KRWDZBQOSA-N 1 2 380.448 3.794 40 0 GHABLO COc1cccc([C@H](NC(=O)c2cc3c(cccc3F)[nH]2)c2[nH+]ccn2C)c1 ZINC000019291236 570971983 /nfs/dbraw/zinc/97/19/83/570971983.db2.gz KPGBDBVFSPPEMM-IBGZPJMESA-N 1 2 378.407 3.569 40 0 GHABLO c1csc(C[N@@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)c1 ZINC000019339887 570976938 /nfs/dbraw/zinc/97/69/38/570976938.db2.gz OMNAQIQGKRAMRJ-UHFFFAOYSA-N 1 2 393.516 3.884 40 0 GHABLO c1csc(C[N@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)c1 ZINC000019339887 570976942 /nfs/dbraw/zinc/97/69/42/570976942.db2.gz OMNAQIQGKRAMRJ-UHFFFAOYSA-N 1 2 393.516 3.884 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 ZINC000019402743 570982698 /nfs/dbraw/zinc/98/26/98/570982698.db2.gz GBFHCASQJBMNJH-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 ZINC000019402743 570982702 /nfs/dbraw/zinc/98/27/02/570982702.db2.gz GBFHCASQJBMNJH-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000019657757 571024479 /nfs/dbraw/zinc/02/44/79/571024479.db2.gz UHPWKOHBRSUOOH-OAHLLOKOSA-N 1 2 383.521 3.892 40 0 GHABLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000019657757 571024482 /nfs/dbraw/zinc/02/44/82/571024482.db2.gz UHPWKOHBRSUOOH-OAHLLOKOSA-N 1 2 383.521 3.892 40 0 GHABLO Cc1ccc2c(CC(=O)N3CCC(c4cc(C[NH+](C)C)[nH]n4)CC3)coc2c1C ZINC000019708928 856426315 /nfs/dbraw/zinc/42/63/15/856426315.db2.gz ONWOBMMDEBUKEM-UHFFFAOYSA-N 1 2 394.519 3.783 40 0 GHABLO CC1CC[NH+](Cc2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035289189 204149116 /nfs/dbraw/zinc/14/91/16/204149116.db2.gz HKQAXHRNYKFWPD-UHFFFAOYSA-N 1 2 387.480 3.644 40 0 GHABLO CCn1c(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087601 204370008 /nfs/dbraw/zinc/37/00/08/204370008.db2.gz OLPNPOYLKPOJJL-MRXNPFEDSA-N 1 2 376.460 3.801 40 0 GHABLO CCn1c(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087601 204370012 /nfs/dbraw/zinc/37/00/12/204370012.db2.gz OLPNPOYLKPOJJL-MRXNPFEDSA-N 1 2 376.460 3.801 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccc2OC)CC1 ZINC000012116383 204372842 /nfs/dbraw/zinc/37/28/42/204372842.db2.gz RJLCIDLGBDETIZ-UHFFFAOYSA-N 1 2 392.503 3.598 40 0 GHABLO O=C(CSCc1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044903196 205090143 /nfs/dbraw/zinc/09/01/43/205090143.db2.gz VUZKAGLMCXXMDX-QPJJXVBHSA-N 1 2 384.520 3.917 40 0 GHABLO Cc1cccc(Nc2noc3c2CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC3)c1C ZINC000072397202 205342777 /nfs/dbraw/zinc/34/27/77/205342777.db2.gz CCKXCWYSJYJIQU-OAHLLOKOSA-N 1 2 379.464 3.768 40 0 GHABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225118470 206037643 /nfs/dbraw/zinc/03/76/43/206037643.db2.gz OOMSUTWXEHQUMH-QGZVFWFLSA-N 1 2 375.472 3.835 40 0 GHABLO CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454393 206048792 /nfs/dbraw/zinc/04/87/92/206048792.db2.gz NAXPDBIMVOFKSO-UHFFFAOYSA-N 1 2 380.473 3.536 40 0 GHABLO Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207711 206158652 /nfs/dbraw/zinc/15/86/52/206158652.db2.gz BIWZUKMCBZCILR-SFHVURJKSA-N 1 2 376.460 3.560 40 0 GHABLO Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207711 206158656 /nfs/dbraw/zinc/15/86/56/206158656.db2.gz BIWZUKMCBZCILR-SFHVURJKSA-N 1 2 376.460 3.560 40 0 GHABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n1C ZINC000257241988 206164183 /nfs/dbraw/zinc/16/41/83/206164183.db2.gz IANZBJDTWWHPRY-KRWDZBQOSA-N 1 2 381.524 3.547 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccco5)CCN4C)nnn3c2)cc1 ZINC000306143095 206206714 /nfs/dbraw/zinc/20/67/14/206206714.db2.gz XTGUCTXKCOHVFA-JOCHJYFZSA-N 1 2 387.487 3.786 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccco5)CCN4C)nnn3c2)cc1 ZINC000306143095 206206718 /nfs/dbraw/zinc/20/67/18/206206718.db2.gz XTGUCTXKCOHVFA-JOCHJYFZSA-N 1 2 387.487 3.786 40 0 GHABLO O=C(c1ccco1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143163 206207100 /nfs/dbraw/zinc/20/71/00/206207100.db2.gz XUWQMULAGAHTJF-FQEVSTJZSA-N 1 2 384.439 3.707 40 0 GHABLO O=C(C1CC=CC1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306126910 206198014 /nfs/dbraw/zinc/19/80/14/206198014.db2.gz FIPBTRQPTOZHOU-QFIPXVFZSA-N 1 2 384.483 3.767 40 0 GHABLO CN1CC[N@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306128497 206199995 /nfs/dbraw/zinc/19/99/95/206199995.db2.gz HCGJBBHSVFOWEO-IBGZPJMESA-N 1 2 379.489 3.540 40 0 GHABLO CN1CC[N@@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306128497 206200000 /nfs/dbraw/zinc/20/00/00/206200000.db2.gz HCGJBBHSVFOWEO-IBGZPJMESA-N 1 2 379.489 3.540 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306128575 206200072 /nfs/dbraw/zinc/20/00/72/206200072.db2.gz HFDWTPMKFKDOPS-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306128575 206200074 /nfs/dbraw/zinc/20/00/74/206200074.db2.gz HFDWTPMKFKDOPS-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)NCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000219866347 136204407 /nfs/dbraw/zinc/20/44/07/136204407.db2.gz MKIHSYBBROPIAW-UHFFFAOYSA-N 1 2 382.489 3.639 40 0 GHABLO Cc1ccccc1OCCCn1c[nH+]cc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719940 570210986 /nfs/dbraw/zinc/21/09/86/570210986.db2.gz NFNAPHIXLZPAGZ-UHFFFAOYSA-N 1 2 390.487 3.826 40 0 GHABLO O=C(NCc1ccc(Cl)cc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020039430 570236837 /nfs/dbraw/zinc/23/68/37/570236837.db2.gz WZBIHWYLAFBEIK-UHFFFAOYSA-N 1 2 379.287 3.756 40 0 GHABLO Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)cc1 ZINC000585293992 570263584 /nfs/dbraw/zinc/26/35/84/570263584.db2.gz CJGNTWPTKGEAIU-SFHVURJKSA-N 1 2 381.505 3.774 40 0 GHABLO O=C(c1ccco1)N(C(=S)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000001635197 570266508 /nfs/dbraw/zinc/26/65/08/570266508.db2.gz SVBVCWPJHHDFOF-UHFFFAOYSA-N 1 2 398.532 3.557 40 0 GHABLO c1ccc(-c2nnc(SCC[NH+]3CCOCC3)nc2-c2ccccc2)cc1 ZINC000021371282 570290952 /nfs/dbraw/zinc/29/09/52/570290952.db2.gz ALYVSXXHPBHYQN-UHFFFAOYSA-N 1 2 378.501 3.630 40 0 GHABLO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1Cl ZINC000022388247 570315605 /nfs/dbraw/zinc/31/56/05/570315605.db2.gz XGLFGMRNRSNMKT-UHFFFAOYSA-N 1 2 388.895 3.807 40 0 GHABLO CCOC(=O)c1c(C)[nH]c(C[NH+](C)Cc2[nH]c(C)c(C(=O)OCC)c2C)c1C ZINC000001679631 570629255 /nfs/dbraw/zinc/62/92/55/570629255.db2.gz ZVHIXVMSRNRJLZ-UHFFFAOYSA-N 1 2 389.496 3.562 40 0 GHABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)n1C ZINC000005001435 570651859 /nfs/dbraw/zinc/65/18/59/570651859.db2.gz TWDSWSJEQVQMNT-MRXNPFEDSA-N 1 2 395.532 3.508 40 0 GHABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)n1C ZINC000005001435 570651863 /nfs/dbraw/zinc/65/18/63/570651863.db2.gz TWDSWSJEQVQMNT-MRXNPFEDSA-N 1 2 395.532 3.508 40 0 GHABLO C[C@H](C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000019077850 570955408 /nfs/dbraw/zinc/95/54/08/570955408.db2.gz ASPIQIRFXKNLDW-LJQANCHMSA-N 1 2 389.499 3.619 40 0 GHABLO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccnc(N2CCCC2)n1 ZINC000019348703 570978780 /nfs/dbraw/zinc/97/87/80/570978780.db2.gz PUWKBDNZGCXJQY-UHFFFAOYSA-N 1 2 394.498 3.505 40 0 GHABLO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccnc(N2CCCC2)n1 ZINC000019348703 570978785 /nfs/dbraw/zinc/97/87/85/570978785.db2.gz PUWKBDNZGCXJQY-UHFFFAOYSA-N 1 2 394.498 3.505 40 0 GHABLO CCn1nc(C)c(C[N@@H+](Cc2cccc(OC)c2OC)C[C@@H]2CCCO2)c1C ZINC000019523816 570995944 /nfs/dbraw/zinc/99/59/44/570995944.db2.gz UYWGJYZBRJRAOJ-IBGZPJMESA-N 1 2 387.524 3.718 40 0 GHABLO CCn1nc(C)c(C[N@H+](Cc2cccc(OC)c2OC)C[C@@H]2CCCO2)c1C ZINC000019523816 570995945 /nfs/dbraw/zinc/99/59/45/570995945.db2.gz UYWGJYZBRJRAOJ-IBGZPJMESA-N 1 2 387.524 3.718 40 0 GHABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019533358 570999573 /nfs/dbraw/zinc/99/95/73/570999573.db2.gz YPOFWQWJKRSHAU-JOCHJYFZSA-N 1 2 394.519 3.507 40 0 GHABLO CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019533358 570999579 /nfs/dbraw/zinc/99/95/79/570999579.db2.gz YPOFWQWJKRSHAU-JOCHJYFZSA-N 1 2 394.519 3.507 40 0 GHABLO COc1ccc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012312 /nfs/dbraw/zinc/01/23/12/571012312.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012314 /nfs/dbraw/zinc/01/23/14/571012314.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019577390 571012318 /nfs/dbraw/zinc/01/23/18/571012318.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019577390 571012321 /nfs/dbraw/zinc/01/23/21/571012321.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 1 2 380.536 3.817 40 0 GHABLO Cc1cc2[nH+]cn(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2cc1C ZINC000019655326 571023409 /nfs/dbraw/zinc/02/34/09/571023409.db2.gz OGMVWVUMCXECIQ-MRXNPFEDSA-N 1 2 379.460 3.692 40 0 GHABLO O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)Nc1nc2c(s1)CCCC2 ZINC000019657932 571024392 /nfs/dbraw/zinc/02/43/92/571024392.db2.gz ADOBJNJGBDTJPO-UHFFFAOYSA-N 1 2 389.496 3.643 40 0 GHABLO Fc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000328964282 571047663 /nfs/dbraw/zinc/04/76/63/571047663.db2.gz BUMAHQNVTAEZLU-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019693515 856423310 /nfs/dbraw/zinc/42/33/10/856423310.db2.gz VBDBKXRUDXVRKD-QFIPXVFZSA-N 1 2 392.507 3.506 40 0 GHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019693515 856423314 /nfs/dbraw/zinc/42/33/14/856423314.db2.gz VBDBKXRUDXVRKD-QFIPXVFZSA-N 1 2 392.507 3.506 40 0 GHABLO CCOc1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012275822 204387608 /nfs/dbraw/zinc/38/76/08/204387608.db2.gz JRBWAEZMNKKRBD-UHFFFAOYSA-N 1 2 380.492 3.689 40 0 GHABLO CCOc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012275822 204387612 /nfs/dbraw/zinc/38/76/12/204387612.db2.gz JRBWAEZMNKKRBD-UHFFFAOYSA-N 1 2 380.492 3.689 40 0 GHABLO O=C(c1ccccc1)[C@@H](C[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000055107237 205142690 /nfs/dbraw/zinc/14/26/90/205142690.db2.gz MKFUMTCGXFPFOF-LJQANCHMSA-N 1 2 391.920 3.851 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F ZINC000072353018 205333059 /nfs/dbraw/zinc/33/30/59/205333059.db2.gz NYXSJTUVYNTPAN-LJQANCHMSA-N 1 2 392.438 3.530 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F ZINC000072353018 205333064 /nfs/dbraw/zinc/33/30/64/205333064.db2.gz NYXSJTUVYNTPAN-LJQANCHMSA-N 1 2 392.438 3.530 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)NCCc2ccccc2)cc[nH+]1 ZINC000072360786 205333896 /nfs/dbraw/zinc/33/38/96/205333896.db2.gz PTTFPDPHQWPLBA-IBGZPJMESA-N 1 2 390.491 3.533 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1 ZINC000072374240 205337449 /nfs/dbraw/zinc/33/74/49/205337449.db2.gz SCJOEAXHLMKNPY-UHFFFAOYSA-N 1 2 390.491 3.590 40 0 GHABLO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225220971 206042571 /nfs/dbraw/zinc/04/25/71/206042571.db2.gz KLWBUJBRUNFECW-UHFFFAOYSA-N 1 2 391.924 3.569 40 0 GHABLO Cn1ccnc1C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257288945 206173495 /nfs/dbraw/zinc/17/34/95/206173495.db2.gz PWJMJUXXBOYOEE-FXAWDEMLSA-N 1 2 387.911 3.968 40 0 GHABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1OC ZINC000257307220 206177218 /nfs/dbraw/zinc/17/72/18/206177218.db2.gz SXRWKUDNZLPIFQ-QGZVFWFLSA-N 1 2 380.448 3.876 40 0 GHABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1OC ZINC000257307220 206177222 /nfs/dbraw/zinc/17/72/22/206177222.db2.gz SXRWKUDNZLPIFQ-QGZVFWFLSA-N 1 2 380.448 3.876 40 0 GHABLO CC(C)[N@@H+]1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227803 206162576 /nfs/dbraw/zinc/16/25/76/206162576.db2.gz FQYPUXBFSVZWGL-GOSISDBHSA-N 1 2 383.414 3.832 40 0 GHABLO CC(C)[N@H+]1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227803 206162579 /nfs/dbraw/zinc/16/25/79/206162579.db2.gz FQYPUXBFSVZWGL-GOSISDBHSA-N 1 2 383.414 3.832 40 0 GHABLO Cc1cc(C)nc(N2CCO[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)n1 ZINC000257240287 206164930 /nfs/dbraw/zinc/16/49/30/206164930.db2.gz HSWQMCYNBBSQOC-IBGZPJMESA-N 1 2 376.464 3.513 40 0 GHABLO COc1ccccc1C[N@@H+]1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306140750 206204493 /nfs/dbraw/zinc/20/44/93/206204493.db2.gz VDDYUMUYIOPAIU-DENIHFKCSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccccc1C[N@H+]1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306140750 206204497 /nfs/dbraw/zinc/20/44/97/206204497.db2.gz VDDYUMUYIOPAIU-DENIHFKCSA-N 1 2 395.480 3.711 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306130513 206199961 /nfs/dbraw/zinc/19/99/61/206199961.db2.gz JIRQWDKOHBENSE-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306130513 206199965 /nfs/dbraw/zinc/19/99/65/206199965.db2.gz JIRQWDKOHBENSE-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015674943 560231239 /nfs/dbraw/zinc/23/12/39/560231239.db2.gz SAVYRXQVPFUILJ-AEFFLSMTSA-N 1 2 379.391 3.930 40 0 biogenic,in-vitro GHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015674943 560231240 /nfs/dbraw/zinc/23/12/40/560231240.db2.gz SAVYRXQVPFUILJ-AEFFLSMTSA-N 1 2 379.391 3.930 40 0 biogenic,in-vitro GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328978750 570210354 /nfs/dbraw/zinc/21/03/54/570210354.db2.gz GAAYAPZZRXLXCA-HXUWFJFHSA-N 1 2 398.457 3.885 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329007694 570211869 /nfs/dbraw/zinc/21/18/69/570211869.db2.gz LNAWQHGKLADFKT-GFCCVEGCSA-N 1 2 389.286 3.831 40 0 GHABLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NCc1ccccc1 ZINC000001221538 570564080 /nfs/dbraw/zinc/56/40/80/570564080.db2.gz KLFQXVFXBIUNTH-HNNXBMFYSA-N 1 2 389.484 3.613 40 0 GHABLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000004909229 570647865 /nfs/dbraw/zinc/64/78/65/570647865.db2.gz MMEFEALLGXOPSH-UHFFFAOYSA-N 1 2 391.943 3.748 40 0 GHABLO CCN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635271 570765270 /nfs/dbraw/zinc/76/52/70/570765270.db2.gz UTZHIPKZFXZBJW-HXUWFJFHSA-N 1 2 396.288 3.686 40 0 GHABLO c1coc(CN2C[NH+]=C3N[C@@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000009262487 570774939 /nfs/dbraw/zinc/77/49/39/570774939.db2.gz AVFKSGOCVPGUKG-OXJNMPFZSA-N 1 2 388.475 3.681 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261363393 570788466 /nfs/dbraw/zinc/78/84/66/570788466.db2.gz HCTBSNYFQMXLCN-MRXNPFEDSA-O 1 2 387.872 3.580 40 0 GHABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000019017412 570954574 /nfs/dbraw/zinc/95/45/74/570954574.db2.gz HEIADNWWCJCKDK-HXUWFJFHSA-N 1 2 384.911 3.762 40 0 GHABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000019017412 570954575 /nfs/dbraw/zinc/95/45/75/570954575.db2.gz HEIADNWWCJCKDK-HXUWFJFHSA-N 1 2 384.911 3.762 40 0 GHABLO CC(C)(C)c1[nH]c2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2[nH+]1 ZINC000019083427 570956272 /nfs/dbraw/zinc/95/62/72/570956272.db2.gz SRAJMBFWXNEWMD-UHFFFAOYSA-N 1 2 390.447 3.877 40 0 GHABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc4ncccc4c3)[C@@H](C)C2)c1 ZINC000019575626 571011822 /nfs/dbraw/zinc/01/18/22/571011822.db2.gz YDTHVFCPKFTNLU-KRWDZBQOSA-N 1 2 375.472 3.590 40 0 GHABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc4ncccc4c3)[C@@H](C)C2)c1 ZINC000019575626 571011824 /nfs/dbraw/zinc/01/18/24/571011824.db2.gz YDTHVFCPKFTNLU-KRWDZBQOSA-N 1 2 375.472 3.590 40 0 GHABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 ZINC000019706251 571032253 /nfs/dbraw/zinc/03/22/53/571032253.db2.gz GETDBSQGUIXOKR-NRFANRHFSA-N 1 2 394.567 3.891 40 0 GHABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 ZINC000019706251 571032256 /nfs/dbraw/zinc/03/22/56/571032256.db2.gz GETDBSQGUIXOKR-NRFANRHFSA-N 1 2 394.567 3.891 40 0 GHABLO CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c2ccccc21 ZINC000012088781 204371550 /nfs/dbraw/zinc/37/15/50/204371550.db2.gz NWVCHKQQZWVOBG-UHFFFAOYSA-N 1 2 399.498 3.926 40 0 GHABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c2ccccc21 ZINC000012088781 204371554 /nfs/dbraw/zinc/37/15/54/204371554.db2.gz NWVCHKQQZWVOBG-UHFFFAOYSA-N 1 2 399.498 3.926 40 0 GHABLO CCCc1[nH+]c2cc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)ccc2n1C ZINC000012116912 204372334 /nfs/dbraw/zinc/37/23/34/204372334.db2.gz NZYDYKGQOOTUCT-UHFFFAOYSA-N 1 2 378.476 3.735 40 0 GHABLO COc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)ccc2-n2cc[nH+]c2)cc1 ZINC000012147052 204375339 /nfs/dbraw/zinc/37/53/39/204375339.db2.gz ZPHCJJGNFFJSTL-UHFFFAOYSA-N 1 2 387.443 3.842 40 0 GHABLO O=C(Nc1ccccc1Br)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044883688 205088579 /nfs/dbraw/zinc/08/85/79/205088579.db2.gz QJGLTHYYEDLFPJ-UHFFFAOYSA-N 1 2 375.266 3.534 40 0 GHABLO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 ZINC000072358596 205334166 /nfs/dbraw/zinc/33/41/66/205334166.db2.gz ONCHKSDPNWRABW-AWEZNQCLSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 ZINC000072358596 205334170 /nfs/dbraw/zinc/33/41/70/205334170.db2.gz ONCHKSDPNWRABW-AWEZNQCLSA-N 1 2 397.479 3.557 40 0 GHABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072360415 205333630 /nfs/dbraw/zinc/33/36/30/205333630.db2.gz XFADNFRPFHFMMM-QGZVFWFLSA-N 1 2 395.536 3.983 40 0 GHABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072360415 205333633 /nfs/dbraw/zinc/33/36/33/205333633.db2.gz XFADNFRPFHFMMM-QGZVFWFLSA-N 1 2 395.536 3.983 40 0 GHABLO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 ZINC000072358594 205334497 /nfs/dbraw/zinc/33/44/97/205334497.db2.gz MVSVCZYFBBQYTI-HNNXBMFYSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 ZINC000072358594 205334502 /nfs/dbraw/zinc/33/45/02/205334502.db2.gz MVSVCZYFBBQYTI-HNNXBMFYSA-N 1 2 397.479 3.557 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 ZINC000072378838 205339944 /nfs/dbraw/zinc/33/99/44/205339944.db2.gz NKYIXOGFEKDBSO-HXUWFJFHSA-N 1 2 390.487 3.745 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257299261 206174290 /nfs/dbraw/zinc/17/42/90/206174290.db2.gz RPIPKXIDFBGMKR-MRXNPFEDSA-N 1 2 384.867 3.522 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306125002 206196778 /nfs/dbraw/zinc/19/67/78/206196778.db2.gz CEGZCGAYZJEYKX-SIKLNZKXSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306125002 206196783 /nfs/dbraw/zinc/19/67/83/206196783.db2.gz CEGZCGAYZJEYKX-SIKLNZKXSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306133546 206200721 /nfs/dbraw/zinc/20/07/21/206200721.db2.gz MPGUMEQEFRZYBW-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306133546 206200726 /nfs/dbraw/zinc/20/07/26/206200726.db2.gz MPGUMEQEFRZYBW-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306132390 206202125 /nfs/dbraw/zinc/20/21/25/206202125.db2.gz LHIMZLGTCFCALH-SIKLNZKXSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306132390 206202126 /nfs/dbraw/zinc/20/21/26/206202126.db2.gz LHIMZLGTCFCALH-SIKLNZKXSA-N 1 2 395.480 3.711 40 0 GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675794 560094858 /nfs/dbraw/zinc/09/48/58/560094858.db2.gz OVLCZUVPGWBFPT-INIZCTEOSA-N 1 2 391.456 3.769 40 0 biogenic,in-vitro GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675794 560094860 /nfs/dbraw/zinc/09/48/60/560094860.db2.gz OVLCZUVPGWBFPT-INIZCTEOSA-N 1 2 391.456 3.769 40 0 biogenic,in-vitro GHABLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075747 570209854 /nfs/dbraw/zinc/20/98/54/570209854.db2.gz KNVNPAUFSTVXNR-SBUREZEXSA-N 1 2 390.487 3.686 40 0 GHABLO CNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328979951 570210448 /nfs/dbraw/zinc/21/04/48/570210448.db2.gz GIWMZTGRTSTPAI-UHFFFAOYSA-N 1 2 376.338 3.955 40 0 GHABLO COc1cc2c(cc1-c1c[nH+]cn1C[C@H](C)n1nc(C)cc1C)OCCCO2 ZINC000019719991 570210876 /nfs/dbraw/zinc/21/08/76/570210876.db2.gz RRQMMIWWVWWIFV-INIZCTEOSA-N 1 2 382.464 3.795 40 0 GHABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329065739 570215970 /nfs/dbraw/zinc/21/59/70/570215970.db2.gz XUHHTMSJODCRBX-UHFFFAOYSA-N 1 2 382.895 3.796 40 0 GHABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329067962 570216452 /nfs/dbraw/zinc/21/64/52/570216452.db2.gz YKYSPLRKZUBJOR-UHFFFAOYSA-N 1 2 389.503 3.748 40 0 GHABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)NC1CCCCC1 ZINC000001346286 570260867 /nfs/dbraw/zinc/26/08/67/570260867.db2.gz GBLOSEQADVBDMQ-UHFFFAOYSA-N 1 2 381.505 3.665 40 0 GHABLO Cc1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccc1Br ZINC000020487713 570262406 /nfs/dbraw/zinc/26/24/06/570262406.db2.gz ZULDLPWEZLLARQ-UHFFFAOYSA-N 1 2 389.293 3.842 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C ZINC000057669758 570367201 /nfs/dbraw/zinc/36/72/01/570367201.db2.gz WPOMXLRYENLAMV-HXUWFJFHSA-N 1 2 384.572 3.954 40 0 GHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670624 570368217 /nfs/dbraw/zinc/36/82/17/570368217.db2.gz QJRHLGZEORQVCT-OAQYLSRUSA-N 1 2 394.498 3.524 40 0 GHABLO O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223177274 570448091 /nfs/dbraw/zinc/44/80/91/570448091.db2.gz GUIGOOUZZZPHDC-UHFFFAOYSA-N 1 2 393.834 3.565 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCC[C@H]2C)cc1C ZINC000001346405 570572302 /nfs/dbraw/zinc/57/23/02/570572302.db2.gz HDYJBAWOPWVCJF-MRXNPFEDSA-N 1 2 395.532 3.925 40 0 GHABLO COc1ccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCC4)cc1 ZINC000004902480 570647035 /nfs/dbraw/zinc/64/70/35/570647035.db2.gz YVSADOBJPLKOJU-UHFFFAOYSA-N 1 2 388.475 3.592 40 0 GHABLO O=C1[C@@H]2CCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[NH2+][C@@H]2c1ccc2c(c1)OCO2 ZINC000005522420 570663612 /nfs/dbraw/zinc/66/36/12/570663612.db2.gz SUOGCSHCUPAGNZ-RWFYYTQISA-N 1 2 379.412 3.515 40 0 GHABLO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000012470767 570807253 /nfs/dbraw/zinc/80/72/53/570807253.db2.gz FGCUDDHIUHOEQF-UHFFFAOYSA-N 1 2 396.487 3.546 40 0 GHABLO CCc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000015951985 570909321 /nfs/dbraw/zinc/90/93/21/570909321.db2.gz YMYNHUKHBYJTFO-UHFFFAOYSA-N 1 2 380.488 3.791 40 0 GHABLO CC(=O)Nc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000017080687 570918387 /nfs/dbraw/zinc/91/83/87/570918387.db2.gz DLMUDHWHHYPEKO-VMPITWQZSA-N 1 2 394.544 3.673 40 0 GHABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2cccc(F)c2C)CC3)c1 ZINC000585111374 570946064 /nfs/dbraw/zinc/94/60/64/570946064.db2.gz QZUAZJSFJJWIGL-UHFFFAOYSA-N 1 2 393.462 3.843 40 0 GHABLO O=C(c1cc(-c2cccs2)no1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000019293853 570973259 /nfs/dbraw/zinc/97/32/59/570973259.db2.gz KSIWOWZGBLUETE-UHFFFAOYSA-N 1 2 385.464 3.890 40 0 GHABLO O=C(c1cc(-c2cccs2)no1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000019293853 570973261 /nfs/dbraw/zinc/97/32/61/570973261.db2.gz KSIWOWZGBLUETE-UHFFFAOYSA-N 1 2 385.464 3.890 40 0 GHABLO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019349961 570979080 /nfs/dbraw/zinc/97/90/80/570979080.db2.gz JBTWYULLUMZOFM-OALUTQOASA-N 1 2 395.503 3.885 40 0 GHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1[nH]c3ccccc3c1Cl)C2 ZINC000019375982 570982527 /nfs/dbraw/zinc/98/25/27/570982527.db2.gz DQZQBBFCQOMAKG-UHFFFAOYSA-N 1 2 391.862 3.525 40 0 GHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1[nH]c3ccccc3c1Cl)C2 ZINC000019375982 570982528 /nfs/dbraw/zinc/98/25/28/570982528.db2.gz DQZQBBFCQOMAKG-UHFFFAOYSA-N 1 2 391.862 3.525 40 0 GHABLO C[NH+]=c1[nH]c([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c2sccn21 ZINC000585182417 570999739 /nfs/dbraw/zinc/99/97/39/570999739.db2.gz PNZQZLNRALTBIG-QGZVFWFLSA-N 1 2 393.516 3.637 40 0 GHABLO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019555132 571003055 /nfs/dbraw/zinc/00/30/55/571003055.db2.gz XLHNLPIHPNTDQE-HNNXBMFYSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc(C[N@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019555132 571003058 /nfs/dbraw/zinc/00/30/58/571003058.db2.gz XLHNLPIHPNTDQE-HNNXBMFYSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc(-c2ncc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019558574 571004416 /nfs/dbraw/zinc/00/44/16/571004416.db2.gz VFSVZIWRTCSHII-JOCHJYFZSA-N 1 2 390.487 3.728 40 0 GHABLO COc1ccc(-c2ncc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019558574 571004417 /nfs/dbraw/zinc/00/44/17/571004417.db2.gz VFSVZIWRTCSHII-JOCHJYFZSA-N 1 2 390.487 3.728 40 0 GHABLO CCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328962962 571047186 /nfs/dbraw/zinc/04/71/86/571047186.db2.gz BLNLQHSDFGBJPE-UHFFFAOYSA-N 1 2 383.293 3.794 40 0 GHABLO Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008021827 856397752 /nfs/dbraw/zinc/39/77/52/856397752.db2.gz LBTURWGKIKHEAQ-UHFFFAOYSA-N 1 2 386.455 3.500 40 0 GHABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc(Cl)cc1 ZINC000038561207 205036644 /nfs/dbraw/zinc/03/66/44/205036644.db2.gz SZIJHUXLFDOVJA-UHFFFAOYSA-N 1 2 375.925 3.659 40 0 GHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000072350579 205330177 /nfs/dbraw/zinc/33/01/77/205330177.db2.gz WVDMIWGDSJMFTE-IBGZPJMESA-N 1 2 389.503 3.734 40 0 GHABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(C)cccc4cc3C2)c1OC ZINC000072392270 205341070 /nfs/dbraw/zinc/34/10/70/205341070.db2.gz HZCMJZSCPOYZHW-UHFFFAOYSA-N 1 2 378.472 3.998 40 0 GHABLO COc1cccc(CC[N@H+]2CCOc3nc4c(C)cccc4cc3C2)c1OC ZINC000072392270 205341075 /nfs/dbraw/zinc/34/10/75/205341075.db2.gz HZCMJZSCPOYZHW-UHFFFAOYSA-N 1 2 378.472 3.998 40 0 GHABLO Cn1c[nH+]cc1-c1cccc(CC2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000257238464 206164953 /nfs/dbraw/zinc/16/49/53/206164953.db2.gz HLCJVBVFJZQNJS-UHFFFAOYSA-N 1 2 378.451 3.716 40 0 GHABLO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@H+](Cc4ccccc4F)CCO3)nc2)n1 ZINC000257342226 206181115 /nfs/dbraw/zinc/18/11/15/206181115.db2.gz ZNQMDPLBHZGDHC-NRFANRHFSA-N 1 2 393.466 3.945 40 0 GHABLO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@@H+](Cc4ccccc4F)CCO3)nc2)n1 ZINC000257342226 206181118 /nfs/dbraw/zinc/18/11/18/206181118.db2.gz ZNQMDPLBHZGDHC-NRFANRHFSA-N 1 2 393.466 3.945 40 0 GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](Cc2ccccc2)C1 ZINC000015675084 560095789 /nfs/dbraw/zinc/09/57/89/560095789.db2.gz UDBHPGCIHIMUQQ-AEFFLSMTSA-N 1 2 387.842 3.761 40 0 biogenic,in-vitro GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015675084 560095790 /nfs/dbraw/zinc/09/57/90/560095790.db2.gz UDBHPGCIHIMUQQ-AEFFLSMTSA-N 1 2 387.842 3.761 40 0 biogenic,in-vitro GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N2CCCCC2)cc1 ZINC000072216111 570316983 /nfs/dbraw/zinc/31/69/83/570316983.db2.gz WOAJVYPLBBPYMF-HXUWFJFHSA-N 1 2 385.533 3.906 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N3CCCC3)c(C)c2)cc1 ZINC000072218810 570317899 /nfs/dbraw/zinc/31/78/99/570317899.db2.gz QBLFSAOAUCLTPP-FQEVSTJZSA-N 1 2 385.533 3.824 40 0 GHABLO CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21[NH2+]CCO1 ZINC000022362804 570343227 /nfs/dbraw/zinc/34/32/27/570343227.db2.gz VLKMYKHTGWTPPD-RPWUZVMVSA-N 1 2 376.500 3.857 40 0 GHABLO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219246688 570350411 /nfs/dbraw/zinc/35/04/11/570350411.db2.gz ZDHHACKJLXFTFK-NRFANRHFSA-N 1 2 394.515 3.859 40 0 GHABLO CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222750394 570424041 /nfs/dbraw/zinc/42/40/41/570424041.db2.gz YAGYORZVFHMVIW-PMACEKPBSA-N 1 2 377.517 3.541 40 0 GHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889294 570511238 /nfs/dbraw/zinc/51/12/38/570511238.db2.gz QQTCQHZPVPLCIN-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)ccc1OC)[NH+]1CCC(C)CC1 ZINC000004847713 570634374 /nfs/dbraw/zinc/63/43/74/570634374.db2.gz IMERRAHZSPOWPG-LJQANCHMSA-N 1 2 387.528 3.657 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 ZINC000019292740 570972795 /nfs/dbraw/zinc/97/27/95/570972795.db2.gz LZNBSQGJWLHTKZ-SFHVURJKSA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 ZINC000019292740 570972798 /nfs/dbraw/zinc/97/27/98/570972798.db2.gz LZNBSQGJWLHTKZ-SFHVURJKSA-N 1 2 382.414 3.837 40 0 GHABLO CC(C)Oc1ccc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019450672 570984894 /nfs/dbraw/zinc/98/48/94/570984894.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 1 2 380.536 3.979 40 0 GHABLO CC(C)Oc1ccc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019450672 570984895 /nfs/dbraw/zinc/98/48/95/570984895.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 1 2 380.536 3.979 40 0 GHABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1nc(-c2cnn(C)c2C)cs1 ZINC000019665170 571027458 /nfs/dbraw/zinc/02/74/58/571027458.db2.gz JICGXMFJUOBLID-UHFFFAOYSA-N 1 2 394.504 3.929 40 0 GHABLO Cc1c(C(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)n[nH]c1-c1ccccc1 ZINC000012147475 204377607 /nfs/dbraw/zinc/37/76/07/204377607.db2.gz XPJNUOQKKYKSGC-UHFFFAOYSA-N 1 2 392.478 3.872 40 0 GHABLO Cc1c(C(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)n[nH]c1-c1ccccc1 ZINC000012147475 204377610 /nfs/dbraw/zinc/37/76/10/204377610.db2.gz XPJNUOQKKYKSGC-UHFFFAOYSA-N 1 2 392.478 3.872 40 0 GHABLO O=C(c1ccccc1)[C@H](C[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000055107240 205143660 /nfs/dbraw/zinc/14/36/60/205143660.db2.gz MKFUMTCGXFPFOF-IBGZPJMESA-N 1 2 391.920 3.851 40 0 GHABLO Cc1nccc(-c2ccc(-c3noc(CN4CC[C@@H]5CCCC[N@@H+]5C4)n3)cc2)n1 ZINC000072339980 205328635 /nfs/dbraw/zinc/32/86/35/205328635.db2.gz SWDMXWCPUJACRI-IBGZPJMESA-N 1 2 390.491 3.520 40 0 GHABLO Cc1nccc(-c2ccc(-c3noc(CN4CC[C@@H]5CCCC[N@H+]5C4)n3)cc2)n1 ZINC000072339980 205328638 /nfs/dbraw/zinc/32/86/38/205328638.db2.gz SWDMXWCPUJACRI-IBGZPJMESA-N 1 2 390.491 3.520 40 0 GHABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccccn3)o2)c1OC ZINC000072344717 205329647 /nfs/dbraw/zinc/32/96/47/205329647.db2.gz PPAKQXWNTJMLIV-KRWDZBQOSA-N 1 2 380.448 3.876 40 0 GHABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccccn3)o2)c1OC ZINC000072344717 205329651 /nfs/dbraw/zinc/32/96/51/205329651.db2.gz PPAKQXWNTJMLIV-KRWDZBQOSA-N 1 2 380.448 3.876 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378393 205338862 /nfs/dbraw/zinc/33/88/62/205338862.db2.gz PZNMTZFTWJEOJV-SFHVURJKSA-N 1 2 379.439 3.902 40 0 GHABLO Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378614 205339556 /nfs/dbraw/zinc/33/95/56/205339556.db2.gz KRZFADGHDGNBMV-OAHLLOKOSA-N 1 2 382.493 3.528 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 ZINC000072379044 205340584 /nfs/dbraw/zinc/34/05/84/205340584.db2.gz QTFUYARYJGKRRY-OAHLLOKOSA-N 1 2 381.505 3.614 40 0 GHABLO O=C(c1snnc1-c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225771166 206074599 /nfs/dbraw/zinc/07/45/99/206074599.db2.gz YBJGOTNGJIKSLZ-UHFFFAOYSA-N 1 2 398.919 3.817 40 0 GHABLO Cc1cc(Cc2ccccc2C)cc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257216915 206160760 /nfs/dbraw/zinc/16/07/60/206160760.db2.gz CWQPPSQWMWVYQB-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1cc(Cc2ccccc2C)cc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257216915 206160767 /nfs/dbraw/zinc/16/07/67/206160767.db2.gz CWQPPSQWMWVYQB-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(c4cccc[nH+]4)C3)ccc2c1N ZINC000257281284 206171069 /nfs/dbraw/zinc/17/10/69/206171069.db2.gz OOKRWTQCGGQACY-NRFANRHFSA-N 1 2 395.532 3.533 40 0 GHABLO O=C(c1ccccn1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306139913 206205961 /nfs/dbraw/zinc/20/59/61/206205961.db2.gz UDSOXZAZELJFFG-NRFANRHFSA-N 1 2 395.466 3.509 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306129652 206199023 /nfs/dbraw/zinc/19/90/23/206199023.db2.gz IJABNFHYUIHZCY-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306129652 206199026 /nfs/dbraw/zinc/19/90/26/206199026.db2.gz IJABNFHYUIHZCY-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306129650 206199864 /nfs/dbraw/zinc/19/98/64/206199864.db2.gz IJABNFHYUIHZCY-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306129650 206199870 /nfs/dbraw/zinc/19/98/70/206199870.db2.gz IJABNFHYUIHZCY-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289092 560033286 /nfs/dbraw/zinc/03/32/86/560033286.db2.gz NYHJTSBZNYSUOS-HOTGVXAUSA-N 1 2 385.508 3.860 40 0 biogenic,in-vitro GHABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289092 560033288 /nfs/dbraw/zinc/03/32/88/560033288.db2.gz NYHJTSBZNYSUOS-HOTGVXAUSA-N 1 2 385.508 3.860 40 0 biogenic,in-vitro GHABLO Fc1cc(F)cc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328978422 570210502 /nfs/dbraw/zinc/21/05/02/570210502.db2.gz FZDWXFXGBDLKCK-UHFFFAOYSA-N 1 2 381.430 3.627 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329046960 570214783 /nfs/dbraw/zinc/21/47/83/570214783.db2.gz UDGMFZIWJZDEJA-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329054846 570215610 /nfs/dbraw/zinc/21/56/10/570215610.db2.gz VMDFQDWMTBWMAP-GFCCVEGCSA-N 1 2 389.286 3.831 40 0 GHABLO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cn1 ZINC000014196047 570295584 /nfs/dbraw/zinc/29/55/84/570295584.db2.gz UDUVKPWANRNVOS-UHFFFAOYSA-N 1 2 398.816 3.515 40 0 GHABLO Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C[NH+]3CCOCC3)c1)CC(C)(C)O2 ZINC000219246593 570350497 /nfs/dbraw/zinc/35/04/97/570350497.db2.gz JIZJAQPEAOJWME-OAQYLSRUSA-N 1 2 394.515 3.859 40 0 GHABLO CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222795715 570426253 /nfs/dbraw/zinc/42/62/53/570426253.db2.gz VTHXTYQVVYMRLX-NHCUHLMSSA-N 1 2 391.544 3.931 40 0 GHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000908884 570517546 /nfs/dbraw/zinc/51/75/46/570517546.db2.gz CZNSOOYSRXAYMH-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO COc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCCCCC1 ZINC000004968371 570654586 /nfs/dbraw/zinc/65/45/86/570654586.db2.gz XJGLRLPMNQYYBO-QFIPXVFZSA-N 1 2 391.519 3.890 40 0 GHABLO CCN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635274 570765225 /nfs/dbraw/zinc/76/52/25/570765225.db2.gz UTZHIPKZFXZBJW-FQEVSTJZSA-N 1 2 396.288 3.686 40 0 GHABLO OCCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328956493 571046877 /nfs/dbraw/zinc/04/68/77/571046877.db2.gz AGKIBDSASRUHGC-UHFFFAOYSA-N 1 2 386.402 3.705 40 0 GHABLO Cc1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096037492 571096848 /nfs/dbraw/zinc/09/68/48/571096848.db2.gz GITYIPIAGONINS-QFIPXVFZSA-N 1 2 389.503 3.906 40 0 GHABLO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000008500036 856407927 /nfs/dbraw/zinc/40/79/27/856407927.db2.gz NUZQFJWKKUJCNU-CLNPQZTCSA-N 1 2 378.516 3.928 40 0 GHABLO CC(C)(C)c1ccc(-c2cc(NC(=O)[C@@H]3OCC[C@@H]3Cn3cc[nH+]c3)on2)cc1 ZINC000621865384 860327025 /nfs/dbraw/zinc/32/70/25/860327025.db2.gz KSIOJMKGJBAPCQ-OXQOHEQNSA-N 1 2 394.475 3.879 40 0 GHABLO Fc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328986943 203768583 /nfs/dbraw/zinc/76/85/83/203768583.db2.gz HZJOIGMUFPKHFU-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000036713595 204324779 /nfs/dbraw/zinc/32/47/79/204324779.db2.gz LEDCYKNYWBNCCU-CPUCHLNUSA-N 1 2 397.357 3.830 40 0 GHABLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000036713595 204324784 /nfs/dbraw/zinc/32/47/84/204324784.db2.gz LEDCYKNYWBNCCU-CPUCHLNUSA-N 1 2 397.357 3.830 40 0 GHABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000038561226 205036894 /nfs/dbraw/zinc/03/68/94/205036894.db2.gz KYJVJBWDNBCJRZ-UHFFFAOYSA-N 1 2 389.952 3.967 40 0 GHABLO Cc1cccc2c(C[C@H](C)NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)c[nH]c21 ZINC000072390300 205342007 /nfs/dbraw/zinc/34/20/07/205342007.db2.gz MQWTWUIKHWZJOG-SFHVURJKSA-N 1 2 391.515 3.670 40 0 GHABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257301390 206175263 /nfs/dbraw/zinc/17/52/63/206175263.db2.gz RYHDCJDAINKZOR-QGZVFWFLSA-N 1 2 377.492 3.651 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 ZINC000257234363 206163825 /nfs/dbraw/zinc/16/38/25/206163825.db2.gz GTFKMBNNSMPYAQ-HSZRJFAPSA-N 1 2 392.503 3.856 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 ZINC000257234363 206163829 /nfs/dbraw/zinc/16/38/29/206163829.db2.gz GTFKMBNNSMPYAQ-HSZRJFAPSA-N 1 2 392.503 3.856 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257267788 206170178 /nfs/dbraw/zinc/17/01/78/206170178.db2.gz MISWIBBCZGDDSL-QFIPXVFZSA-N 1 2 380.467 3.601 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257267788 206170182 /nfs/dbraw/zinc/17/01/82/206170182.db2.gz MISWIBBCZGDDSL-QFIPXVFZSA-N 1 2 380.467 3.601 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccnc5)CCN4C)nnn3c2)cc1 ZINC000306125381 206197581 /nfs/dbraw/zinc/19/75/81/206197581.db2.gz COBVWZCWYFCZHL-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccnc5)CCN4C)nnn3c2)cc1 ZINC000306125381 206197584 /nfs/dbraw/zinc/19/75/84/206197584.db2.gz COBVWZCWYFCZHL-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO O=C(C1CC=CC1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306126909 206197978 /nfs/dbraw/zinc/19/79/78/206197978.db2.gz FIPBTRQPTOZHOU-JOCHJYFZSA-N 1 2 384.483 3.767 40 0 GHABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@H](O)C2)cc1)CCC3 ZINC000013563488 136201337 /nfs/dbraw/zinc/20/13/37/136201337.db2.gz BSUOTJQCROWVEH-QFIPXVFZSA-N 1 2 389.499 3.590 40 0 GHABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cc4ccccc4o3)n2)cc1 ZINC000015674716 560095183 /nfs/dbraw/zinc/09/51/83/560095183.db2.gz MEKLSVOERZKXAX-APWZRJJASA-N 1 2 391.427 3.799 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cc4ccccc4o3)n2)cc1 ZINC000015674716 560095184 /nfs/dbraw/zinc/09/51/84/560095184.db2.gz MEKLSVOERZKXAX-APWZRJJASA-N 1 2 391.427 3.799 40 0 biogenic,in-vitro GHABLO Fc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329027821 570213751 /nfs/dbraw/zinc/21/37/51/570213751.db2.gz PTHQWEATPOOWQT-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000072215961 570316886 /nfs/dbraw/zinc/31/68/86/570316886.db2.gz DVPVYXQFKHYPHF-FQEVSTJZSA-N 1 2 385.533 3.906 40 0 GHABLO O=C(C[NH+]1CCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000004820338 570730492 /nfs/dbraw/zinc/73/04/92/570730492.db2.gz UKICNKKEIKGEPC-UHFFFAOYSA-N 1 2 397.544 3.591 40 0 GHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000261364202 570788433 /nfs/dbraw/zinc/78/84/33/570788433.db2.gz JZAFJDUXENQXFR-GOSISDBHSA-O 1 2 381.481 3.707 40 0 GHABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000019017414 570954474 /nfs/dbraw/zinc/95/44/74/570954474.db2.gz HEIADNWWCJCKDK-FQEVSTJZSA-N 1 2 384.911 3.762 40 0 GHABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000019017414 570954477 /nfs/dbraw/zinc/95/44/77/570954477.db2.gz HEIADNWWCJCKDK-FQEVSTJZSA-N 1 2 384.911 3.762 40 0 GHABLO CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000019502385 570993709 /nfs/dbraw/zinc/99/37/09/570993709.db2.gz GGRYXAODZAVAEB-CQSZACIVSA-N 1 2 398.536 3.575 40 0 GHABLO CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000019502385 570993711 /nfs/dbraw/zinc/99/37/11/570993711.db2.gz GGRYXAODZAVAEB-CQSZACIVSA-N 1 2 398.536 3.575 40 0 GHABLO CCc1ccccc1Nc1noc2c1CN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC000019523047 570995359 /nfs/dbraw/zinc/99/53/59/570995359.db2.gz RBUWEWYIVRBYQN-HNNXBMFYSA-N 1 2 379.464 3.713 40 0 GHABLO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019533279 570999805 /nfs/dbraw/zinc/99/98/05/570999805.db2.gz JBDULKQGYZJBJO-QFIPXVFZSA-N 1 2 394.519 3.507 40 0 GHABLO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019533279 570999807 /nfs/dbraw/zinc/99/98/07/570999807.db2.gz JBDULKQGYZJBJO-QFIPXVFZSA-N 1 2 394.519 3.507 40 0 GHABLO COc1ccc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012386 /nfs/dbraw/zinc/01/23/86/571012386.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012387 /nfs/dbraw/zinc/01/23/87/571012387.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019577392 571012388 /nfs/dbraw/zinc/01/23/88/571012388.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 1 2 380.536 3.817 40 0 GHABLO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019577392 571012389 /nfs/dbraw/zinc/01/23/89/571012389.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 1 2 380.536 3.817 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C(C)C)c3ccccc3)CC2)c1C ZINC000035290673 204152348 /nfs/dbraw/zinc/15/23/48/204152348.db2.gz BYHKRSDAIDVNCJ-QFIPXVFZSA-N 1 2 390.535 3.782 40 0 GHABLO COc1cccc(C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)c1OC ZINC000057810959 205160981 /nfs/dbraw/zinc/16/09/81/205160981.db2.gz ILTPSJNNHWXQIT-GOSISDBHSA-N 1 2 387.524 3.906 40 0 GHABLO COc1cccc(C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)c1OC ZINC000057810959 205160985 /nfs/dbraw/zinc/16/09/85/205160985.db2.gz ILTPSJNNHWXQIT-GOSISDBHSA-N 1 2 387.524 3.906 40 0 GHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000072350578 205330761 /nfs/dbraw/zinc/33/07/61/205330761.db2.gz WVDMIWGDSJMFTE-LJQANCHMSA-N 1 2 389.503 3.734 40 0 GHABLO CCOCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OC ZINC000224409257 206020544 /nfs/dbraw/zinc/02/05/44/206020544.db2.gz RFCJTUUSDDCJFY-JXMROGBWSA-N 1 2 394.515 3.703 40 0 GHABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503481 206053981 /nfs/dbraw/zinc/05/39/81/206053981.db2.gz ZQLDIDHBHGUHDL-UHFFFAOYSA-N 1 2 394.515 3.848 40 0 GHABLO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225703050 206069557 /nfs/dbraw/zinc/06/95/57/206069557.db2.gz QVOLTXNBKYMVGV-JOCHJYFZSA-N 1 2 392.540 3.712 40 0 GHABLO Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257242218 206164656 /nfs/dbraw/zinc/16/46/56/206164656.db2.gz IBOLDSUKGJQWKD-JOCHJYFZSA-N 1 2 390.487 3.981 40 0 GHABLO Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257242218 206164660 /nfs/dbraw/zinc/16/46/60/206164660.db2.gz IBOLDSUKGJQWKD-JOCHJYFZSA-N 1 2 390.487 3.981 40 0 GHABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3cccc(F)c3)CC2)ccn1 ZINC000257250517 206167119 /nfs/dbraw/zinc/16/71/19/206167119.db2.gz JMVXWJDLYFAUMN-UHFFFAOYSA-N 1 2 378.451 3.716 40 0 GHABLO C[C@@H](CCc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257261838 206167921 /nfs/dbraw/zinc/16/79/21/206167921.db2.gz LIYXSCZFGXPUDL-HNNXBMFYSA-N 1 2 376.508 3.771 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306139996 206204703 /nfs/dbraw/zinc/20/47/03/206204703.db2.gz UGKFTUPZUOJXOQ-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306139996 206204707 /nfs/dbraw/zinc/20/47/07/206204707.db2.gz UGKFTUPZUOJXOQ-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO CC(C)(C)NC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306138060 206204887 /nfs/dbraw/zinc/20/48/87/206204887.db2.gz RNYSLLLJBDSVCK-SFHVURJKSA-N 1 2 377.492 3.595 40 0 GHABLO CC(C)(C)NC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306138060 206204888 /nfs/dbraw/zinc/20/48/88/206204888.db2.gz RNYSLLLJBDSVCK-SFHVURJKSA-N 1 2 377.492 3.595 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306138394 206205950 /nfs/dbraw/zinc/20/59/50/206205950.db2.gz RWKIDDQKGHFJSW-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306138394 206205954 /nfs/dbraw/zinc/20/59/54/206205954.db2.gz RWKIDDQKGHFJSW-IFMALSPDSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306128573 206198571 /nfs/dbraw/zinc/19/85/71/206198571.db2.gz HFDWTPMKFKDOPS-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306128573 206198576 /nfs/dbraw/zinc/19/85/76/206198576.db2.gz HFDWTPMKFKDOPS-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134225 206204052 /nfs/dbraw/zinc/20/40/52/206204052.db2.gz NGASNOZJIVVMIS-HXUWFJFHSA-N 1 2 391.500 3.735 40 0 GHABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134225 206204056 /nfs/dbraw/zinc/20/40/56/206204056.db2.gz NGASNOZJIVVMIS-HXUWFJFHSA-N 1 2 391.500 3.735 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328992578 570211117 /nfs/dbraw/zinc/21/11/17/570211117.db2.gz IXDKGNTYPVGMIH-HNNXBMFYSA-N 1 2 396.413 3.847 40 0 GHABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329013078 570212314 /nfs/dbraw/zinc/21/23/14/570212314.db2.gz MNUOPPNINHKADR-UHFFFAOYSA-N 1 2 389.503 3.748 40 0 GHABLO C[C@@]1(O)CC[N@H+](Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383059 570353746 /nfs/dbraw/zinc/35/37/46/570353746.db2.gz BEICENCZGUBVBP-JAXLGGSGSA-N 1 2 399.560 3.516 40 0 biogenic,in-vitro GHABLO C[C@@]1(O)CC[N@@H+](Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383059 570353751 /nfs/dbraw/zinc/35/37/51/570353751.db2.gz BEICENCZGUBVBP-JAXLGGSGSA-N 1 2 399.560 3.516 40 0 biogenic,in-vitro GHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669885 570367479 /nfs/dbraw/zinc/36/74/79/570367479.db2.gz MEAGREADLZFFCG-FQEVSTJZSA-N 1 2 384.572 3.954 40 0 GHABLO COc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C(C)C)CC2)cc1 ZINC000001370987 570574917 /nfs/dbraw/zinc/57/49/17/570574917.db2.gz IGXJAWKNKILOTD-UHFFFAOYSA-N 1 2 393.491 3.980 40 0 GHABLO O=C(Nc1cccnc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000059437065 570653979 /nfs/dbraw/zinc/65/39/79/570653979.db2.gz COGFVXNBNGIQLW-UHFFFAOYSA-N 1 2 386.499 3.652 40 0 GHABLO O=C1[C@@H]2CCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000012375083 570806140 /nfs/dbraw/zinc/80/61/40/570806140.db2.gz SUOGCSHCUPAGNZ-ZFJWPNLUSA-N 1 2 379.412 3.515 40 0 GHABLO C[NH+]=c1[nH]c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c2sccn21 ZINC000585182416 570999427 /nfs/dbraw/zinc/99/94/27/570999427.db2.gz PNZQZLNRALTBIG-KRWDZBQOSA-N 1 2 393.516 3.637 40 0 GHABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)ccn1 ZINC000035424547 204191581 /nfs/dbraw/zinc/19/15/81/204191581.db2.gz GPPMPMDDRJBSCP-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)ccn1 ZINC000035424547 204191585 /nfs/dbraw/zinc/19/15/85/204191585.db2.gz GPPMPMDDRJBSCP-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2nc(NCCCc3ccccn3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221397 204384993 /nfs/dbraw/zinc/38/49/93/204384993.db2.gz JWACEGVTMXXAFU-UHFFFAOYSA-N 1 2 386.459 3.982 40 0 GHABLO CCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OCC ZINC000044905203 205089526 /nfs/dbraw/zinc/08/95/26/205089526.db2.gz DJQDWOISZCTMHG-UHFFFAOYSA-N 1 2 379.460 3.659 40 0 GHABLO Cc1ccc(-c2cc(C(=O)N3CC[N@@H+](Cc4ccco4)C[C@@H]3C(C)C)[nH]n2)o1 ZINC000072324118 205324662 /nfs/dbraw/zinc/32/46/62/205324662.db2.gz ZOWOQVIGSDWWEY-LJQANCHMSA-N 1 2 382.464 3.554 40 0 GHABLO Cc1ccc(-c2cc(C(=O)N3CC[N@H+](Cc4ccco4)C[C@@H]3C(C)C)[nH]n2)o1 ZINC000072324118 205324665 /nfs/dbraw/zinc/32/46/65/205324665.db2.gz ZOWOQVIGSDWWEY-LJQANCHMSA-N 1 2 382.464 3.554 40 0 GHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350538 205331016 /nfs/dbraw/zinc/33/10/16/205331016.db2.gz FSMUCYKYXHPIGD-KRWDZBQOSA-N 1 2 393.466 3.945 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353338 205332325 /nfs/dbraw/zinc/33/23/25/205332325.db2.gz SFTXCXFVVJCOHK-QGZVFWFLSA-N 1 2 390.491 3.590 40 0 GHABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360216 205333513 /nfs/dbraw/zinc/33/35/13/205333513.db2.gz TYAGJAMBHXAYHO-MRXNPFEDSA-N 1 2 381.509 3.675 40 0 GHABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360216 205333518 /nfs/dbraw/zinc/33/35/18/205333518.db2.gz TYAGJAMBHXAYHO-MRXNPFEDSA-N 1 2 381.509 3.675 40 0 GHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000072378385 205339532 /nfs/dbraw/zinc/33/95/32/205339532.db2.gz MATSCTLXOCZPCC-UHFFFAOYSA-N 1 2 378.451 3.989 40 0 GHABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 ZINC000072380592 205339669 /nfs/dbraw/zinc/33/96/69/205339669.db2.gz ARTSNMGTCNXPQZ-OAQYLSRUSA-N 1 2 382.508 3.818 40 0 GHABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 ZINC000072380592 205339671 /nfs/dbraw/zinc/33/96/71/205339671.db2.gz ARTSNMGTCNXPQZ-OAQYLSRUSA-N 1 2 382.508 3.818 40 0 GHABLO Cc1ccc(Cc2cc(C)nc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257201798 206158261 /nfs/dbraw/zinc/15/82/61/206158261.db2.gz AJBZCCMGGRJIJC-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1ccc(Cc2cc(C)nc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257201798 206158263 /nfs/dbraw/zinc/15/82/63/206158263.db2.gz AJBZCCMGGRJIJC-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257337503 206182271 /nfs/dbraw/zinc/18/22/71/206182271.db2.gz YTAUAGXEDVVGSD-QFIPXVFZSA-N 1 2 392.478 3.922 40 0 GHABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257337503 206182276 /nfs/dbraw/zinc/18/22/76/206182276.db2.gz YTAUAGXEDVVGSD-QFIPXVFZSA-N 1 2 392.478 3.922 40 0 GHABLO CN(C)c1cccc(OCc2cc3ncc4c(n3n2)CC[N@@H+](C2CCCC2)C4)c1 ZINC000306124682 206197282 /nfs/dbraw/zinc/19/72/82/206197282.db2.gz BWLRTMUZEZXJLP-UHFFFAOYSA-N 1 2 391.519 3.675 40 0 GHABLO CN(C)c1cccc(OCc2cc3ncc4c(n3n2)CC[N@H+](C2CCCC2)C4)c1 ZINC000306124682 206197287 /nfs/dbraw/zinc/19/72/87/206197287.db2.gz BWLRTMUZEZXJLP-UHFFFAOYSA-N 1 2 391.519 3.675 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000219865916 136204320 /nfs/dbraw/zinc/20/43/20/136204320.db2.gz IROOPNGULYAQPV-UHFFFAOYSA-N 1 2 390.487 3.886 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000226255313 536529350 /nfs/dbraw/zinc/52/93/50/536529350.db2.gz LEZAGUKHEVELDL-AWEZNQCLSA-N 1 2 399.491 3.926 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000226255313 536529353 /nfs/dbraw/zinc/52/93/53/536529353.db2.gz LEZAGUKHEVELDL-AWEZNQCLSA-N 1 2 399.491 3.926 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329046962 570214770 /nfs/dbraw/zinc/21/47/70/570214770.db2.gz UDGMFZIWJZDEJA-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO CCNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329062313 570215596 /nfs/dbraw/zinc/21/55/96/570215596.db2.gz WWNRZFZEVJYSKU-UHFFFAOYSA-N 1 2 378.354 3.523 40 0 GHABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096263356 570226449 /nfs/dbraw/zinc/22/64/49/570226449.db2.gz VDNLMQXCIJPKLQ-UHFFFAOYSA-N 1 2 392.528 3.689 40 0 GHABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096263356 570226450 /nfs/dbraw/zinc/22/64/50/570226450.db2.gz VDNLMQXCIJPKLQ-UHFFFAOYSA-N 1 2 392.528 3.689 40 0 GHABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216193 570316863 /nfs/dbraw/zinc/31/68/63/570316863.db2.gz DFPKZXKJYVRAMF-FQEVSTJZSA-N 1 2 381.476 3.782 40 0 GHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000888933 570511258 /nfs/dbraw/zinc/51/12/58/570511258.db2.gz UXBMFGIGRUMXPG-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000004847670 570634413 /nfs/dbraw/zinc/63/44/13/570634413.db2.gz MSBFZSOMAIPIBS-OAQYLSRUSA-N 1 2 395.482 3.690 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000017080050 570918412 /nfs/dbraw/zinc/91/84/12/570918412.db2.gz AMVPZBMEKAGGTJ-UHFFFAOYSA-N 1 2 391.924 3.751 40 0 GHABLO Cc1cccc(C)c1Nc1noc2c1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC000019235754 570965853 /nfs/dbraw/zinc/96/58/53/570965853.db2.gz ZBBJSGWCLCRGOG-MRXNPFEDSA-N 1 2 379.464 3.768 40 0 GHABLO CCn1nc(C)c(C[N@@H+](Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C ZINC000019523817 570995995 /nfs/dbraw/zinc/99/59/95/570995995.db2.gz UYWGJYZBRJRAOJ-LJQANCHMSA-N 1 2 387.524 3.718 40 0 GHABLO CCn1nc(C)c(C[N@H+](Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C ZINC000019523817 570995997 /nfs/dbraw/zinc/99/59/97/570995997.db2.gz UYWGJYZBRJRAOJ-LJQANCHMSA-N 1 2 387.524 3.718 40 0 GHABLO CC[C@@H](Oc1ccccc1OC)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008477890 856407237 /nfs/dbraw/zinc/40/72/37/856407237.db2.gz RUVRLAPQNSBVOT-VZOQVYJPSA-N 1 2 394.515 3.710 40 0 GHABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000408681890 231094522 /nfs/dbraw/zinc/09/45/22/231094522.db2.gz VEZQDCLASWPNMK-CLNPQZTCSA-N 1 2 378.516 3.928 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306141689 209106842 /nfs/dbraw/zinc/10/68/42/209106842.db2.gz WEAVITLAIAUROY-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306141689 209106845 /nfs/dbraw/zinc/10/68/45/209106845.db2.gz WEAVITLAIAUROY-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 ZINC000019402746 207120866 /nfs/dbraw/zinc/12/08/66/207120866.db2.gz GBFHCASQJBMNJH-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 ZINC000019402746 207120870 /nfs/dbraw/zinc/12/08/70/207120870.db2.gz GBFHCASQJBMNJH-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO Cc1nc(NCCCc2ccc(F)cc2)cc(Cn2nnc3ccccc32)[nH+]1 ZINC000019655840 207146160 /nfs/dbraw/zinc/14/61/60/207146160.db2.gz PRAXUCQFBMXBMI-UHFFFAOYSA-N 1 2 376.439 3.762 40 0 GHABLO COc1ccccc1CCCNc1cc(Cn2nnc3ccccc32)[nH+]c(C)n1 ZINC000019655821 207146352 /nfs/dbraw/zinc/14/63/52/207146352.db2.gz UVZQXHHBTCHNRU-UHFFFAOYSA-N 1 2 388.475 3.631 40 0 GHABLO COc1ccc2[nH]c(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c(C)c2c1 ZINC000019714854 207152351 /nfs/dbraw/zinc/15/23/51/207152351.db2.gz VZGFZWHBDZBWTK-UHFFFAOYSA-N 1 2 376.460 3.951 40 0 GHABLO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030942604 207378023 /nfs/dbraw/zinc/37/80/23/207378023.db2.gz OVZRYJLEILVNOM-UHFFFAOYSA-N 1 2 376.460 3.712 40 0 GHABLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 ZINC000072353022 208000614 /nfs/dbraw/zinc/00/06/14/208000614.db2.gz FEDCCULXCHATOT-INIZCTEOSA-N 1 2 398.467 3.591 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 ZINC000072353022 208000619 /nfs/dbraw/zinc/00/06/19/208000619.db2.gz FEDCCULXCHATOT-INIZCTEOSA-N 1 2 398.467 3.591 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 ZINC000072357696 208001441 /nfs/dbraw/zinc/00/14/41/208001441.db2.gz YIJVMMKQPQPHQC-LJQANCHMSA-N 1 2 378.501 3.905 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 ZINC000072357696 208001443 /nfs/dbraw/zinc/00/14/43/208001443.db2.gz YIJVMMKQPQPHQC-LJQANCHMSA-N 1 2 378.501 3.905 40 0 GHABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 ZINC000248028330 209028658 /nfs/dbraw/zinc/02/86/58/209028658.db2.gz LDWNRXLYUFYOQR-IBGZPJMESA-N 1 2 375.538 3.643 40 0 GHABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 ZINC000248028330 209028661 /nfs/dbraw/zinc/02/86/61/209028661.db2.gz LDWNRXLYUFYOQR-IBGZPJMESA-N 1 2 375.538 3.643 40 0 GHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257221110 209058258 /nfs/dbraw/zinc/05/82/58/209058258.db2.gz DNNRSNIDBSZQDM-HSZRJFAPSA-N 1 2 379.504 3.640 40 0 GHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257221110 209058261 /nfs/dbraw/zinc/05/82/61/209058261.db2.gz DNNRSNIDBSZQDM-HSZRJFAPSA-N 1 2 379.504 3.640 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)cc1 ZINC000257257534 209060909 /nfs/dbraw/zinc/06/09/09/209060909.db2.gz KQAXGXQIWGSNRH-QFIPXVFZSA-N 1 2 399.441 3.883 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)cc1 ZINC000257257534 209060912 /nfs/dbraw/zinc/06/09/12/209060912.db2.gz KQAXGXQIWGSNRH-QFIPXVFZSA-N 1 2 399.441 3.883 40 0 GHABLO Cc1cnc(Nc2cc(C)nc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)c2)s1 ZINC000257261464 209061573 /nfs/dbraw/zinc/06/15/73/209061573.db2.gz LHKMIKUNXIKRGZ-LJQANCHMSA-N 1 2 398.536 3.514 40 0 GHABLO Cc1cnc(Nc2cc(C)nc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)c2)s1 ZINC000257261464 209061577 /nfs/dbraw/zinc/06/15/77/209061577.db2.gz LHKMIKUNXIKRGZ-LJQANCHMSA-N 1 2 398.536 3.514 40 0 GHABLO CC(C)C[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505223 136201146 /nfs/dbraw/zinc/20/11/46/136201146.db2.gz QLQBGZXIFQTVTI-HXUWFJFHSA-N 1 2 396.564 3.692 40 0 GHABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH+]c3ccccc3n2C)C[C@H]1C(C)C ZINC000072320879 560077770 /nfs/dbraw/zinc/07/77/70/560077770.db2.gz JOINCJGZZAMBNF-FHWLQOOXSA-N 1 2 383.536 3.733 40 0 biogenic,in-vitro GHABLO CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320866 560077788 /nfs/dbraw/zinc/07/77/88/560077788.db2.gz UKKOEUGGGKMOSC-ZOBUZTSGSA-N 1 2 393.528 3.648 40 0 biogenic,in-vitro GHABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1 ZINC000015676288 560094648 /nfs/dbraw/zinc/09/46/48/560094648.db2.gz HPBBPALHFWPAKT-FQEVSTJZSA-N 1 2 378.476 3.532 40 0 biogenic,in-vitro GHABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015676288 560094649 /nfs/dbraw/zinc/09/46/49/560094649.db2.gz HPBBPALHFWPAKT-FQEVSTJZSA-N 1 2 378.476 3.532 40 0 biogenic,in-vitro GHABLO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000243244466 570457332 /nfs/dbraw/zinc/45/73/32/570457332.db2.gz KONHNNBIEXNSMJ-UHFFFAOYSA-N 1 2 376.460 3.669 40 0 GHABLO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)nc[nH+]1)CC2 ZINC000243244466 570457334 /nfs/dbraw/zinc/45/73/34/570457334.db2.gz KONHNNBIEXNSMJ-UHFFFAOYSA-N 1 2 376.460 3.669 40 0 GHABLO Cn1cc[nH+]c1[C@H](NC(=O)c1nccc2ccccc21)c1ccc(F)c(F)c1 ZINC000012115026 570610074 /nfs/dbraw/zinc/61/00/74/570610074.db2.gz YVICVJGWXXGGMI-GOSISDBHSA-N 1 2 378.382 3.766 40 0 GHABLO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225792505 570617765 /nfs/dbraw/zinc/61/77/65/570617765.db2.gz JUEKJLRGWQUXQT-DHZHZOJOSA-N 1 2 398.510 3.923 40 0 GHABLO CC(C)Oc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012220289 570627530 /nfs/dbraw/zinc/62/75/30/570627530.db2.gz VHBRDLXDZFYVQY-UHFFFAOYSA-N 1 2 378.476 3.658 40 0 GHABLO CC(C)Oc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012220289 570627534 /nfs/dbraw/zinc/62/75/34/570627534.db2.gz VHBRDLXDZFYVQY-UHFFFAOYSA-N 1 2 378.476 3.658 40 0 GHABLO CC[C@H](Oc1ccccc1OC)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008477888 856406943 /nfs/dbraw/zinc/40/69/43/856406943.db2.gz RUVRLAPQNSBVOT-ZRFOIIEFSA-N 1 2 394.515 3.710 40 0 GHABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329067326 206244670 /nfs/dbraw/zinc/24/46/70/206244670.db2.gz YHTCTJJVYHHJMR-INIZCTEOSA-N 1 2 398.429 3.713 40 0 GHABLO OCCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329005235 206241059 /nfs/dbraw/zinc/24/10/59/206241059.db2.gz KXBKUSGYKVXYIN-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329040807 206243021 /nfs/dbraw/zinc/24/30/21/206243021.db2.gz SFZYJMKHYLSKDV-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO Clc1cccc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1Cl ZINC000019292602 207114251 /nfs/dbraw/zinc/11/42/51/207114251.db2.gz CNZZUZCFONKQAH-UHFFFAOYSA-N 1 2 380.319 3.723 40 0 GHABLO COc1cc2c(cc1OC)[C@H](c1cnc(C(C)C)nc1)[NH2+][C@H](c1ccccn1)C2 ZINC000019454172 207123573 /nfs/dbraw/zinc/12/35/73/207123573.db2.gz XFBWBGSNHOTGFC-UGKGYDQZSA-N 1 2 390.487 3.989 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019453621 207124041 /nfs/dbraw/zinc/12/40/41/207124041.db2.gz ZVWMPIMCPBQAGW-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019453621 207124046 /nfs/dbraw/zinc/12/40/46/207124046.db2.gz ZVWMPIMCPBQAGW-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000019664333 207147075 /nfs/dbraw/zinc/14/70/75/207147075.db2.gz SMOFPIMDKJLKOB-UHFFFAOYSA-N 1 2 396.487 3.638 40 0 GHABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020485748 207197410 /nfs/dbraw/zinc/19/74/10/207197410.db2.gz YPMXVPADDAYKLJ-OXHGWOFKSA-N 1 2 394.515 3.710 40 0 GHABLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075745 208262561 /nfs/dbraw/zinc/26/25/61/208262561.db2.gz KNVNPAUFSTVXNR-GAJHUEQPSA-N 1 2 390.487 3.686 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccoc5)CCN4C)nnn3c2)cc1 ZINC000306130045 209098648 /nfs/dbraw/zinc/09/86/48/209098648.db2.gz IUXRICGMQZKUGX-QFIPXVFZSA-N 1 2 387.487 3.786 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccoc5)CCN4C)nnn3c2)cc1 ZINC000306130045 209098654 /nfs/dbraw/zinc/09/86/54/209098654.db2.gz IUXRICGMQZKUGX-QFIPXVFZSA-N 1 2 387.487 3.786 40 0 GHABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCc3c[nH+]c[nH]3)ccc1OC2(C)C ZINC000257273597 209063913 /nfs/dbraw/zinc/06/39/13/209063913.db2.gz NHIMEMYFMZVFIF-KBRIMQKVSA-N 1 2 383.492 3.779 40 0 GHABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCc3c[nH]c[nH+]3)ccc1OC2(C)C ZINC000257273597 209063918 /nfs/dbraw/zinc/06/39/18/209063918.db2.gz NHIMEMYFMZVFIF-KBRIMQKVSA-N 1 2 383.492 3.779 40 0 GHABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288766 560034252 /nfs/dbraw/zinc/03/42/52/560034252.db2.gz DSVBNTUADVUJTF-IRXDYDNUSA-N 1 2 381.451 3.858 40 0 biogenic,in-vitro GHABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288766 560034253 /nfs/dbraw/zinc/03/42/53/560034253.db2.gz DSVBNTUADVUJTF-IRXDYDNUSA-N 1 2 381.451 3.858 40 0 biogenic,in-vitro GHABLO O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023227893 570350801 /nfs/dbraw/zinc/35/08/01/570350801.db2.gz ZDBCWQDQKCYXSU-UHFFFAOYSA-N 1 2 391.830 3.558 40 0 GHABLO CCCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669616 570367060 /nfs/dbraw/zinc/36/70/60/570367060.db2.gz KLSYYVFICGKTPW-HXUWFJFHSA-N 1 2 386.519 3.981 40 0 GHABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccc2ccccc2c1 ZINC000224142211 570423719 /nfs/dbraw/zinc/42/37/19/570423719.db2.gz DNVSITXBXFQETN-UHFFFAOYSA-N 1 2 376.464 3.940 40 0 GHABLO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)s2)cc1 ZINC000223977114 570492764 /nfs/dbraw/zinc/49/27/64/570492764.db2.gz BDETWYBMVNVZKX-UHFFFAOYSA-N 1 2 394.500 3.598 40 0 GHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889213 570511179 /nfs/dbraw/zinc/51/11/79/570511179.db2.gz FHAGOLSVFTUOFJ-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225703075 570606035 /nfs/dbraw/zinc/60/60/35/570606035.db2.gz QVOLTXNBKYMVGV-QFIPXVFZSA-N 1 2 392.540 3.712 40 0 GHABLO CC(=O)c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000012259122 570631451 /nfs/dbraw/zinc/63/14/51/570631451.db2.gz BGAWASCYYODQBU-AWEZNQCLSA-N 1 2 384.867 3.589 40 0 GHABLO CC(=O)c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000012259122 570631453 /nfs/dbraw/zinc/63/14/53/570631453.db2.gz BGAWASCYYODQBU-AWEZNQCLSA-N 1 2 384.867 3.589 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](c1cc(OC)ccc1OC)[NH+]1CCC(C)CC1 ZINC000004847714 570634476 /nfs/dbraw/zinc/63/44/76/570634476.db2.gz IMERRAHZSPOWPG-IBGZPJMESA-N 1 2 387.528 3.657 40 0 GHABLO Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000004968365 570654778 /nfs/dbraw/zinc/65/47/78/570654778.db2.gz KNSXTZZLSPHFSZ-HXUWFJFHSA-N 1 2 383.446 3.965 40 0 GHABLO O=C1[C@@H]2CCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000012375084 570806261 /nfs/dbraw/zinc/80/62/61/570806261.db2.gz SUOGCSHCUPAGNZ-YQMDMEMYSA-N 1 2 379.412 3.515 40 0 GHABLO C[C@H](NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1[nH+]ccn1C ZINC000660333429 570950851 /nfs/dbraw/zinc/95/08/51/570950851.db2.gz AETQCYHEMDPTBM-KRWDZBQOSA-N 1 2 389.503 3.543 40 0 GHABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095533861 860614003 /nfs/dbraw/zinc/61/40/03/860614003.db2.gz YOMPWIZUBHZVPL-OAHLLOKOSA-N 1 2 378.354 3.556 40 0 GHABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329063420 231047703 /nfs/dbraw/zinc/04/77/03/231047703.db2.gz XEDXQCKYIDOFAE-OAQYLSRUSA-N 1 2 376.504 3.915 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328955960 222806273 /nfs/dbraw/zinc/80/62/73/222806273.db2.gz AFGHNBSTPBGHMH-MRXNPFEDSA-N 1 2 380.414 3.967 40 0 GHABLO CNc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329040704 206243238 /nfs/dbraw/zinc/24/32/38/206243238.db2.gz SDKSXKPDLULNPU-UHFFFAOYSA-N 1 2 392.356 3.679 40 0 GHABLO CCNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328997303 206239223 /nfs/dbraw/zinc/23/92/23/206239223.db2.gz JOGRZLKHGRSXKI-UHFFFAOYSA-N 1 2 388.393 3.930 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328995061 206239332 /nfs/dbraw/zinc/23/93/32/206239332.db2.gz JFQZMMSGMHJWDI-OAQYLSRUSA-N 1 2 376.504 3.649 40 0 GHABLO O=C(c1ccccn1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306139914 209106207 /nfs/dbraw/zinc/10/62/07/209106207.db2.gz UDSOXZAZELJFFG-OAQYLSRUSA-N 1 2 395.466 3.509 40 0 GHABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1[nH]c3ccccc3c1Cl)C2 ZINC000019375983 207119430 /nfs/dbraw/zinc/11/94/30/207119430.db2.gz KFKCVVFPCWRFQZ-UHFFFAOYSA-N 1 2 391.862 3.525 40 0 GHABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1[nH]c3ccccc3c1Cl)C2 ZINC000019375983 207119434 /nfs/dbraw/zinc/11/94/34/207119434.db2.gz KFKCVVFPCWRFQZ-UHFFFAOYSA-N 1 2 391.862 3.525 40 0 GHABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 ZINC000019706250 207150701 /nfs/dbraw/zinc/15/07/01/207150701.db2.gz GETDBSQGUIXOKR-OAQYLSRUSA-N 1 2 394.567 3.891 40 0 GHABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 ZINC000019706250 207150708 /nfs/dbraw/zinc/15/07/08/207150708.db2.gz GETDBSQGUIXOKR-OAQYLSRUSA-N 1 2 394.567 3.891 40 0 GHABLO COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000001335847 208492683 /nfs/dbraw/zinc/49/26/83/208492683.db2.gz WVPAFEGFDRXJFX-NRFANRHFSA-N 1 2 377.492 3.695 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306133153 209102913 /nfs/dbraw/zinc/10/29/13/209102913.db2.gz MDPNJICQZZZHTG-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306133153 209102918 /nfs/dbraw/zinc/10/29/18/209102918.db2.gz MDPNJICQZZZHTG-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306133048 209102290 /nfs/dbraw/zinc/10/22/90/209102290.db2.gz MAFMOSHWAUXMMW-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306133048 209102296 /nfs/dbraw/zinc/10/22/96/209102296.db2.gz MAFMOSHWAUXMMW-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306134767 209102340 /nfs/dbraw/zinc/10/23/40/209102340.db2.gz NXTOUFDGIQVKTC-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306134767 209102344 /nfs/dbraw/zinc/10/23/44/209102344.db2.gz NXTOUFDGIQVKTC-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)CC3CC3)Cc3ccccc32)cs1 ZINC000306125914 209097785 /nfs/dbraw/zinc/09/77/85/209097785.db2.gz DFMXAWCKEPLGMG-FQEVSTJZSA-N 1 2 392.528 3.971 40 0 GHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112095 209009250 /nfs/dbraw/zinc/00/92/50/209009250.db2.gz PICRYNAICPZTHT-XLIONFOSSA-N 1 2 383.423 3.525 40 0 biogenic,in-vitro GHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112095 209009252 /nfs/dbraw/zinc/00/92/52/209009252.db2.gz PICRYNAICPZTHT-XLIONFOSSA-N 1 2 383.423 3.525 40 0 biogenic,in-vitro GHABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000057720121 136153948 /nfs/dbraw/zinc/15/39/48/136153948.db2.gz BIKDBMCMMIXHLP-UHFFFAOYSA-N 1 2 381.520 3.935 40 0 GHABLO Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)c(C)c1 ZINC000072193711 136167654 /nfs/dbraw/zinc/16/76/54/136167654.db2.gz AIOMVJJJDCKSNV-UHFFFAOYSA-N 1 2 393.940 3.509 40 0 GHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000224355907 136206972 /nfs/dbraw/zinc/20/69/72/136206972.db2.gz ZWFYNGBAYYKFHU-UHFFFAOYSA-N 1 2 393.413 3.804 40 0 GHABLO O=C(C[NH+]1CCCCC1)Nc1cc(Br)ccc1Br ZINC000409385490 534523617 /nfs/dbraw/zinc/52/36/17/534523617.db2.gz MKIUMVAGIBJXHS-UHFFFAOYSA-N 1 2 376.092 3.636 40 0 GHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000035424873 560080455 /nfs/dbraw/zinc/08/04/55/560080455.db2.gz BHCSJLIIHIIAHD-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000035424873 560080457 /nfs/dbraw/zinc/08/04/57/560080457.db2.gz BHCSJLIIHIIAHD-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000585261915 570228737 /nfs/dbraw/zinc/22/87/37/570228737.db2.gz RULKQWHENNVJTG-XMMPIXPASA-N 1 2 387.483 3.637 40 0 GHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000585261915 570228742 /nfs/dbraw/zinc/22/87/42/570228742.db2.gz RULKQWHENNVJTG-XMMPIXPASA-N 1 2 387.483 3.637 40 0 GHABLO CC(C)Oc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000216359225 570299706 /nfs/dbraw/zinc/29/97/06/570299706.db2.gz IGWMJOGIMJLZJC-UHFFFAOYSA-N 1 2 396.531 3.669 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N2CCCC2)cc1 ZINC000072216021 570316854 /nfs/dbraw/zinc/31/68/54/570316854.db2.gz QMZBINYQVUYGFC-FQEVSTJZSA-N 1 2 385.533 3.906 40 0 GHABLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223652 570318586 /nfs/dbraw/zinc/31/85/86/570318586.db2.gz KKGJWVAIILDIOQ-UHFFFAOYSA-N 1 2 381.476 3.678 40 0 GHABLO CC(C)C[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670197 570367826 /nfs/dbraw/zinc/36/78/26/570367826.db2.gz SGOWZXSEGSBGHL-KRWDZBQOSA-N 1 2 399.568 3.773 40 0 GHABLO Cc1nc2cc(C(=O)N3CC[N@@H+](Cc4ccccc4F)C[C@@H]3C(C)C)ccc2[nH]1 ZINC000057730672 570371221 /nfs/dbraw/zinc/37/12/21/570371221.db2.gz MOMRBTIDUSIYNT-JOCHJYFZSA-N 1 2 394.494 3.993 40 0 GHABLO Cc1nc2cc(C(=O)N3CC[N@H+](Cc4ccccc4F)C[C@@H]3C(C)C)ccc2[nH]1 ZINC000057730672 570371225 /nfs/dbraw/zinc/37/12/25/570371225.db2.gz MOMRBTIDUSIYNT-JOCHJYFZSA-N 1 2 394.494 3.993 40 0 GHABLO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCCn2cc[nH+]c2)cc1 ZINC000012113331 570609102 /nfs/dbraw/zinc/60/91/02/570609102.db2.gz SJJHQXJYOLFETN-UHFFFAOYSA-N 1 2 376.464 3.720 40 0 GHABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856875 570637257 /nfs/dbraw/zinc/63/72/57/570637257.db2.gz OXPHUOXTLQJLHG-IBGZPJMESA-N 1 2 379.460 3.830 40 0 GHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccco1 ZINC000261363250 570787890 /nfs/dbraw/zinc/78/78/90/570787890.db2.gz GOEAIAMQDZHHBI-LJQANCHMSA-O 1 2 397.480 3.535 40 0 GHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccs1 ZINC000261365181 570788635 /nfs/dbraw/zinc/78/86/35/570788635.db2.gz QPXHTVCLVLWOMS-SFHVURJKSA-O 1 2 399.521 3.614 40 0 GHABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c2ccccc21 ZINC000072336837 570879985 /nfs/dbraw/zinc/87/99/85/570879985.db2.gz MPCPKRMLDIYVGV-UHFFFAOYSA-N 1 2 399.498 3.926 40 0 GHABLO COc1ccc(C[N@@H+](Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1OC ZINC000013993502 207005695 /nfs/dbraw/zinc/00/56/95/207005695.db2.gz WAIRGZONDRDGAP-LJQANCHMSA-N 1 2 386.492 3.597 40 0 GHABLO COc1ccc(C[N@H+](Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1OC ZINC000013993502 207005700 /nfs/dbraw/zinc/00/57/00/207005700.db2.gz WAIRGZONDRDGAP-LJQANCHMSA-N 1 2 386.492 3.597 40 0 GHABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cnc(C)nc1)CC2 ZINC000019287253 207113162 /nfs/dbraw/zinc/11/31/62/207113162.db2.gz VYJVALJMKASHII-HSZRJFAPSA-N 1 2 375.472 3.950 40 0 GHABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cnc(C)nc1)CC2 ZINC000019287253 207113164 /nfs/dbraw/zinc/11/31/64/207113164.db2.gz VYJVALJMKASHII-HSZRJFAPSA-N 1 2 375.472 3.950 40 0 GHABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000019286741 207113806 /nfs/dbraw/zinc/11/38/06/207113806.db2.gz BAOWGTXMGWUFHQ-ZDUSSCGKSA-N 1 2 395.894 3.869 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)Nc2nnc(C(C)C)s2)C1 ZINC000019524417 207128588 /nfs/dbraw/zinc/12/85/88/207128588.db2.gz SICYZTXTVLTWMU-AWEZNQCLSA-N 1 2 398.536 3.886 40 0 GHABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)c1O ZINC000031430166 207382560 /nfs/dbraw/zinc/38/25/60/207382560.db2.gz HRGWMGTYIRQYMO-JYYJXNPCSA-N 1 2 383.444 3.712 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1 ZINC000072374241 208009818 /nfs/dbraw/zinc/00/98/18/208009818.db2.gz UHOXMFNOABGEFH-UHFFFAOYSA-N 1 2 390.491 3.590 40 0 GHABLO COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000072384182 208010987 /nfs/dbraw/zinc/01/09/87/208010987.db2.gz HWVBKKQZZXWGJP-SFHVURJKSA-N 1 2 379.464 3.657 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072379008 208012008 /nfs/dbraw/zinc/01/20/08/208012008.db2.gz CCLKCAKCAVXLMR-IBGZPJMESA-N 1 2 375.476 3.692 40 0 GHABLO CC(C)(C)n1nnnc1[C@@H](c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004618589 208545916 /nfs/dbraw/zinc/54/59/16/208545916.db2.gz BDFCRHDZIPSASK-OAQYLSRUSA-N 1 2 390.535 3.867 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306137115 209103370 /nfs/dbraw/zinc/10/33/70/209103370.db2.gz QLYNBRQTCOZIBL-DENIHFKCSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306137115 209103373 /nfs/dbraw/zinc/10/33/73/209103373.db2.gz QLYNBRQTCOZIBL-DENIHFKCSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306132616 209101139 /nfs/dbraw/zinc/10/11/39/209101139.db2.gz LNWROMASFRUGQM-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306132616 209101143 /nfs/dbraw/zinc/10/11/43/209101143.db2.gz LNWROMASFRUGQM-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)cc[nH+]1 ZINC000257308512 209073129 /nfs/dbraw/zinc/07/31/29/209073129.db2.gz TWYZOMJJGAFMBS-FQEVSTJZSA-N 1 2 379.504 3.826 40 0 GHABLO CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216780 136185273 /nfs/dbraw/zinc/18/52/73/136185273.db2.gz OCYRTJAJEFPQLH-QFIPXVFZSA-N 1 2 399.560 3.886 40 0 GHABLO CC(C)C[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504567 136201137 /nfs/dbraw/zinc/20/11/37/136201137.db2.gz PICNEUQWQAQUFN-QFIPXVFZSA-N 1 2 390.535 3.631 40 0 GHABLO CN(CCCc1ccccc1)c1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257311892 209074609 /nfs/dbraw/zinc/07/46/09/209074609.db2.gz ULLHJZDUCZNBMM-UHFFFAOYSA-N 1 2 378.524 3.826 40 0 GHABLO Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)ccn1 ZINC000585290519 570258597 /nfs/dbraw/zinc/25/85/97/570258597.db2.gz BZOFKGDWGOJLGX-DKFQHHCZSA-N 1 2 388.475 3.671 40 0 GHABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000004966678 570420209 /nfs/dbraw/zinc/42/02/09/570420209.db2.gz IFWOPOWXWSOGFQ-UHFFFAOYSA-N 1 2 384.451 3.758 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCC(C)CC2)cc1C ZINC000001346408 570572227 /nfs/dbraw/zinc/57/22/27/570572227.db2.gz HECORMLDUYYJSR-UHFFFAOYSA-N 1 2 395.532 3.783 40 0 GHABLO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225734468 570610754 /nfs/dbraw/zinc/61/07/54/570610754.db2.gz ZBZNHGJMXZRRQA-QFIPXVFZSA-N 1 2 392.540 3.568 40 0 GHABLO CC(C)[N@@H+]1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227804 570764157 /nfs/dbraw/zinc/76/41/57/570764157.db2.gz FQYPUXBFSVZWGL-SFHVURJKSA-N 1 2 383.414 3.832 40 0 GHABLO CC(C)[N@H+]1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227804 570764161 /nfs/dbraw/zinc/76/41/61/570764161.db2.gz FQYPUXBFSVZWGL-SFHVURJKSA-N 1 2 383.414 3.832 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072355351 570881271 /nfs/dbraw/zinc/88/12/71/570881271.db2.gz QKKWYNMKTUUXGG-IBGZPJMESA-N 1 2 389.503 3.734 40 0 GHABLO CCNC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019312263 570924775 /nfs/dbraw/zinc/92/47/75/570924775.db2.gz FMEBXKDKHGWBLD-UHFFFAOYSA-N 1 2 375.488 3.566 40 0 GHABLO CC(=O)N(CCC[NH+]1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000020097653 570940941 /nfs/dbraw/zinc/94/09/41/570940941.db2.gz OLLJLZJHXVDRRZ-UHFFFAOYSA-N 1 2 379.913 3.539 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328955162 571046785 /nfs/dbraw/zinc/04/67/85/571046785.db2.gz AAKIBAIIACYWCD-FQEVSTJZSA-N 1 2 380.467 3.746 40 0 GHABLO CCNc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328975758 206239271 /nfs/dbraw/zinc/23/92/71/206239271.db2.gz FLSYLBSRFHJSSW-UHFFFAOYSA-N 1 2 390.365 3.767 40 0 GHABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000328972175 206239500 /nfs/dbraw/zinc/23/95/00/206239500.db2.gz DUUGYELZZASTBS-LLVKDONJSA-N 1 2 382.386 3.519 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027103 206240512 /nfs/dbraw/zinc/24/05/12/206240512.db2.gz PQWQQVBWCAOXGL-HXUWFJFHSA-N 1 2 380.467 3.746 40 0 GHABLO CCOc1cc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)cc(Br)c1OCC ZINC000015017095 207041411 /nfs/dbraw/zinc/04/14/11/207041411.db2.gz SRRLCDSSAPFINT-MJSCBBHESA-N 1 2 382.298 3.674 40 0 GHABLO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cc2c([nH]c1=O)CCC2 ZINC000019375827 207119411 /nfs/dbraw/zinc/11/94/11/207119411.db2.gz STMNBKHFLNAIMS-UHFFFAOYSA-N 1 2 398.466 3.777 40 0 GHABLO CCn1c2ccc(NC(=O)CCCn3c(C)cc(C)nc3=O)cc2[nH+]c1C(C)C ZINC000019524248 207127868 /nfs/dbraw/zinc/12/78/68/207127868.db2.gz MLKYTQYLKFRJMQ-UHFFFAOYSA-N 1 2 395.507 3.772 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)nc(NC(C)C)c3C2)cc1 ZINC000019450211 207122628 /nfs/dbraw/zinc/12/26/28/207122628.db2.gz YTBRGNGKYOEWTI-UHFFFAOYSA-N 1 2 389.503 3.926 40 0 GHABLO COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)nc(NC(C)C)c3C2)cc1 ZINC000019450211 207122632 /nfs/dbraw/zinc/12/26/32/207122632.db2.gz YTBRGNGKYOEWTI-UHFFFAOYSA-N 1 2 389.503 3.926 40 0 GHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC ZINC000019561125 207135174 /nfs/dbraw/zinc/13/51/74/207135174.db2.gz VYKDNINWIFKDPW-QFIPXVFZSA-N 1 2 382.435 3.965 40 0 GHABLO COc1ccc(C[N@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC ZINC000019561125 207135177 /nfs/dbraw/zinc/13/51/77/207135177.db2.gz VYKDNINWIFKDPW-QFIPXVFZSA-N 1 2 382.435 3.965 40 0 GHABLO Cn1nc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1-c1ccc(Cl)cc1 ZINC000019660458 207144827 /nfs/dbraw/zinc/14/48/27/207144827.db2.gz JEQCQSRSSJGUHZ-SFHVURJKSA-N 1 2 385.899 3.782 40 0 GHABLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000019657759 207145643 /nfs/dbraw/zinc/14/56/43/207145643.db2.gz UHPWKOHBRSUOOH-HNNXBMFYSA-N 1 2 383.521 3.892 40 0 GHABLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000019657759 207145648 /nfs/dbraw/zinc/14/56/48/207145648.db2.gz UHPWKOHBRSUOOH-HNNXBMFYSA-N 1 2 383.521 3.892 40 0 GHABLO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000031666682 207384215 /nfs/dbraw/zinc/38/42/15/207384215.db2.gz OGBDGIFZAPGRAY-HNNXBMFYSA-N 1 2 381.303 3.555 40 0 GHABLO CCn1cc(-c2cc(NCCc3ccc(C(F)(F)F)cc3)nc(N)[nH+]2)cn1 ZINC000072373187 208009472 /nfs/dbraw/zinc/00/94/72/208009472.db2.gz HCBBFCQWTYBLLZ-UHFFFAOYSA-N 1 2 376.386 3.616 40 0 GHABLO CCn1ccnc1C[N@@H+]1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072384463 208012881 /nfs/dbraw/zinc/01/28/81/208012881.db2.gz YSKWCDCCVGOCOP-KRWDZBQOSA-N 1 2 378.480 3.568 40 0 GHABLO CCn1ccnc1C[N@H+]1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072384463 208012886 /nfs/dbraw/zinc/01/28/86/208012886.db2.gz YSKWCDCCVGOCOP-KRWDZBQOSA-N 1 2 378.480 3.568 40 0 GHABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NCC(C)C)CC2 ZINC000096145007 208274363 /nfs/dbraw/zinc/27/43/63/208274363.db2.gz LWNWDZAWROLHIO-UHFFFAOYSA-N 1 2 395.551 3.542 40 0 GHABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NCC(C)C)CC2 ZINC000096145007 208274369 /nfs/dbraw/zinc/27/43/69/208274369.db2.gz LWNWDZAWROLHIO-UHFFFAOYSA-N 1 2 395.551 3.542 40 0 GHABLO CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C[NH+]5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118929630 208467143 /nfs/dbraw/zinc/46/71/43/208467143.db2.gz CJUKMDBJDPZAEN-NHPREHGTSA-N 1 2 385.548 3.992 40 0 GHABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cc1 ZINC000306132389 209102609 /nfs/dbraw/zinc/10/26/09/209102609.db2.gz LHIMZLGTCFCALH-KNQAVFIVSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cc1 ZINC000306132389 209102613 /nfs/dbraw/zinc/10/26/13/209102613.db2.gz LHIMZLGTCFCALH-KNQAVFIVSA-N 1 2 395.480 3.711 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306131229 209101689 /nfs/dbraw/zinc/10/16/89/209101689.db2.gz JYWSTFLTRXLEDJ-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306131229 209101694 /nfs/dbraw/zinc/10/16/94/209101694.db2.gz JYWSTFLTRXLEDJ-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO CN1CC[N@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130615 209098932 /nfs/dbraw/zinc/09/89/32/209098932.db2.gz JKZTVHVEPCPTSN-LJQANCHMSA-N 1 2 379.489 3.540 40 0 GHABLO CN1CC[N@@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130615 209098935 /nfs/dbraw/zinc/09/89/35/209098935.db2.gz JKZTVHVEPCPTSN-LJQANCHMSA-N 1 2 379.489 3.540 40 0 GHABLO Cc1cc(CC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cc[nH+]1 ZINC000257251561 209059691 /nfs/dbraw/zinc/05/96/91/209059691.db2.gz JRGFHLVZBUKHDH-UHFFFAOYSA-N 1 2 378.516 3.920 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000219863987 136204449 /nfs/dbraw/zinc/20/44/49/136204449.db2.gz VREWNYSLGPRATG-UHFFFAOYSA-N 1 2 377.488 3.977 40 0 GHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(F)cc1Cl ZINC000224356636 136206801 /nfs/dbraw/zinc/20/68/01/136206801.db2.gz MSYFIKYXFFQBIG-UHFFFAOYSA-N 1 2 377.851 3.578 40 0 GHABLO COc1ccccc1CCCNc1cc(-c2cc(CC(C)C)nn2C)[nH+]c(N)n1 ZINC000257319083 209075175 /nfs/dbraw/zinc/07/51/75/209075175.db2.gz VQPULOULUNNTGX-UHFFFAOYSA-N 1 2 394.523 3.711 40 0 GHABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529811 560212777 /nfs/dbraw/zinc/21/27/77/560212777.db2.gz RWZUBCKDALSOAQ-IRXDYDNUSA-N 1 2 397.866 3.957 40 0 biogenic,in-vitro GHABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529811 560212780 /nfs/dbraw/zinc/21/27/80/560212780.db2.gz RWZUBCKDALSOAQ-IRXDYDNUSA-N 1 2 397.866 3.957 40 0 biogenic,in-vitro GHABLO CNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329021724 570213423 /nfs/dbraw/zinc/21/34/23/570213423.db2.gz OHYFCJKNBAFHKT-UHFFFAOYSA-N 1 2 388.393 3.582 40 0 GHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000585261914 570228691 /nfs/dbraw/zinc/22/86/91/570228691.db2.gz RULKQWHENNVJTG-DEOSSOPVSA-N 1 2 387.483 3.637 40 0 GHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000585261914 570228694 /nfs/dbraw/zinc/22/86/94/570228694.db2.gz RULKQWHENNVJTG-DEOSSOPVSA-N 1 2 387.483 3.637 40 0 GHABLO COc1ccc(C2(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012115013 570610080 /nfs/dbraw/zinc/61/00/80/570610080.db2.gz RLGPMZIVRRFMFK-IBGZPJMESA-N 1 2 397.425 3.644 40 0 GHABLO CCCCc1nc(Cl)c(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)[nH]1 ZINC000012143620 570615467 /nfs/dbraw/zinc/61/54/67/570615467.db2.gz WVYCXXRQQHTRFK-UHFFFAOYSA-N 1 2 388.899 3.520 40 0 GHABLO COc1ccccc1CC(=O)N1CCC(C)(c2[nH+]c(C)n3ccsc23)CC1 ZINC000257226697 570764028 /nfs/dbraw/zinc/76/40/28/570764028.db2.gz FLTHMMUHHSLSEH-UHFFFAOYSA-N 1 2 383.517 3.836 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257227012 570764178 /nfs/dbraw/zinc/76/41/78/570764178.db2.gz FNGGHFVWCLVWOF-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257227012 570764182 /nfs/dbraw/zinc/76/41/82/570764182.db2.gz FNGGHFVWCLVWOF-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)s1 ZINC000261366301 570789106 /nfs/dbraw/zinc/78/91/06/570789106.db2.gz YRMGWHOPGLYMSY-GOSISDBHSA-O 1 2 399.521 3.532 40 0 GHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccc(OC)cc4)n3CC2)cc1 ZINC000585111547 570941903 /nfs/dbraw/zinc/94/19/03/570941903.db2.gz VGJVPCKLGOOQEE-UHFFFAOYSA-N 1 2 391.471 3.656 40 0 GHABLO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022795737 856435011 /nfs/dbraw/zinc/43/50/11/856435011.db2.gz GIUFVXUIPBXMJD-UHFFFAOYSA-N 1 2 396.487 3.728 40 0 GHABLO CNc1nc(Nc2cccc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329059000 206243216 /nfs/dbraw/zinc/24/32/16/206243216.db2.gz WETCTRNNQDQBGB-UHFFFAOYSA-N 1 2 390.365 3.680 40 0 GHABLO Fc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329014025 206240484 /nfs/dbraw/zinc/24/04/84/206240484.db2.gz MTVDEKPVPXEGOZ-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329044382 206242666 /nfs/dbraw/zinc/24/26/66/206242666.db2.gz SWZKPQWXJYDCPV-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)NCC12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000016778735 207078248 /nfs/dbraw/zinc/07/82/48/207078248.db2.gz AHSLVYVIPOQCRU-SQUILIJDSA-N 1 2 381.564 3.531 40 0 GHABLO Cc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c(=O)n1C ZINC000019131867 207104792 /nfs/dbraw/zinc/10/47/92/207104792.db2.gz LTQOLKVMCOQJEY-UHFFFAOYSA-N 1 2 386.455 3.608 40 0 GHABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 ZINC000019292741 207114343 /nfs/dbraw/zinc/11/43/43/207114343.db2.gz LZNBSQGJWLHTKZ-GOSISDBHSA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 ZINC000019292741 207114348 /nfs/dbraw/zinc/11/43/48/207114348.db2.gz LZNBSQGJWLHTKZ-GOSISDBHSA-N 1 2 382.414 3.837 40 0 GHABLO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000020487007 207197575 /nfs/dbraw/zinc/19/75/75/207197575.db2.gz VCIVHMNYUDHWHJ-HNNXBMFYSA-N 1 2 397.500 3.687 40 0 GHABLO O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030755652 207374191 /nfs/dbraw/zinc/37/41/91/207374191.db2.gz DROCCOZDWCOHMI-UHFFFAOYSA-N 1 2 376.243 3.874 40 0 GHABLO CCn1ccnc1C[NH+]1CCC(c2nccnc2Oc2cccnc2C)CC1 ZINC000072384462 208011398 /nfs/dbraw/zinc/01/13/98/208011398.db2.gz FSYAAAMECUZFHD-UHFFFAOYSA-N 1 2 378.480 3.568 40 0 GHABLO Cc1nc(C(=O)N2CCC3(CCc4[nH+]cc(-c5ccncc5)n4C3)CC2)cs1 ZINC000306137267 209103822 /nfs/dbraw/zinc/10/38/22/209103822.db2.gz QRERVUIOYRCECU-UHFFFAOYSA-N 1 2 393.516 3.579 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306132617 209102901 /nfs/dbraw/zinc/10/29/01/209102901.db2.gz LNWROMASFRUGQM-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306132617 209102905 /nfs/dbraw/zinc/10/29/05/209102905.db2.gz LNWROMASFRUGQM-TZIWHRDSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306130784 209100393 /nfs/dbraw/zinc/10/03/93/209100393.db2.gz JPHWQYBFLPDZDM-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306130784 209100390 /nfs/dbraw/zinc/10/03/90/209100390.db2.gz JPHWQYBFLPDZDM-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306128574 209099739 /nfs/dbraw/zinc/09/97/39/209099739.db2.gz HFDWTPMKFKDOPS-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306128574 209099736 /nfs/dbraw/zinc/09/97/36/209099736.db2.gz HFDWTPMKFKDOPS-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306126190 209097720 /nfs/dbraw/zinc/09/77/20/209097720.db2.gz DPCNZDCLKRZQAY-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306126190 209097724 /nfs/dbraw/zinc/09/77/24/209097724.db2.gz DPCNZDCLKRZQAY-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203156 209055568 /nfs/dbraw/zinc/05/55/68/209055568.db2.gz AOWYLCXLNCPNIE-IBGZPJMESA-N 1 2 396.520 3.570 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203156 209055572 /nfs/dbraw/zinc/05/55/72/209055572.db2.gz AOWYLCXLNCPNIE-IBGZPJMESA-N 1 2 396.520 3.570 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257248625 209059630 /nfs/dbraw/zinc/05/96/30/209059630.db2.gz JEMVUDKXFLGQQJ-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257248625 209059631 /nfs/dbraw/zinc/05/96/31/209059631.db2.gz JEMVUDKXFLGQQJ-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc[nH+]1 ZINC000257267906 209064805 /nfs/dbraw/zinc/06/48/05/209064805.db2.gz MJJMPCXUJHDMRC-HXUWFJFHSA-N 1 2 397.494 3.965 40 0 GHABLO Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257303670 209071189 /nfs/dbraw/zinc/07/11/89/209071189.db2.gz SIENMNKLLGTTCR-FQEVSTJZSA-N 1 2 382.895 3.931 40 0 GHABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225479459 560042782 /nfs/dbraw/zinc/04/27/82/560042782.db2.gz IPPRNXJMITYVHY-HOCLYGCPSA-N 1 2 378.350 3.559 40 0 biogenic,in-vitro GHABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225479459 560042784 /nfs/dbraw/zinc/04/27/84/560042784.db2.gz IPPRNXJMITYVHY-HOCLYGCPSA-N 1 2 378.350 3.559 40 0 biogenic,in-vitro GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328969934 570210150 /nfs/dbraw/zinc/21/01/50/570210150.db2.gz DGLCVWMJJRQXOR-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219246756 570350273 /nfs/dbraw/zinc/35/02/73/570350273.db2.gz ZDHHACKJLXFTFK-OAQYLSRUSA-N 1 2 394.515 3.859 40 0 GHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000057669703 570366993 /nfs/dbraw/zinc/36/69/93/570366993.db2.gz WOQNZXZCMDLGIZ-GOSISDBHSA-N 1 2 390.963 3.909 40 0 GHABLO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669650 570367146 /nfs/dbraw/zinc/36/71/46/570367146.db2.gz BCVQJQQTPWRCME-INIZCTEOSA-N 1 2 376.936 3.663 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C ZINC000057669756 570367250 /nfs/dbraw/zinc/36/72/50/570367250.db2.gz WPOMXLRYENLAMV-FQEVSTJZSA-N 1 2 384.572 3.954 40 0 GHABLO O=C(C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1 ZINC000035310993 570471051 /nfs/dbraw/zinc/47/10/51/570471051.db2.gz HXKBVRPJULTRPR-UHFFFAOYSA-N 1 2 398.522 3.805 40 0 GHABLO O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224631765 570521506 /nfs/dbraw/zinc/52/15/06/570521506.db2.gz QBRAJQBDMFBDFH-UHFFFAOYSA-N 1 2 393.834 3.565 40 0 GHABLO C[C@@H](CCc1ccco1)NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116351 570610932 /nfs/dbraw/zinc/61/09/32/570610932.db2.gz IFPHTZYOPUETPA-INIZCTEOSA-N 1 2 380.492 3.520 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000012116371 570611185 /nfs/dbraw/zinc/61/11/85/570611185.db2.gz UFUUKEWCAHBFJV-UHFFFAOYSA-N 1 2 378.476 3.920 40 0 GHABLO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(-c2ccc(OC)c(OC)c2)n1 ZINC000049468205 570663237 /nfs/dbraw/zinc/66/32/37/570663237.db2.gz WFYWBYVPCXCESQ-UHFFFAOYSA-N 1 2 394.431 3.663 40 0 GHABLO O=C(NCc1[nH]cc[nH+]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257228407 570764589 /nfs/dbraw/zinc/76/45/89/570764589.db2.gz FTSLQQPPVQABJG-UHFFFAOYSA-N 1 2 393.462 3.872 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 ZINC000257236143 570767129 /nfs/dbraw/zinc/76/71/29/570767129.db2.gz HAYSFZZANUAPDB-XMMPIXPASA-N 1 2 390.531 3.905 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 ZINC000257236143 570767132 /nfs/dbraw/zinc/76/71/32/570767132.db2.gz HAYSFZZANUAPDB-XMMPIXPASA-N 1 2 390.531 3.905 40 0 GHABLO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013710044 570777464 /nfs/dbraw/zinc/77/74/64/570777464.db2.gz VEIOWJZDTSULOU-RUJXFNLJSA-N 1 2 384.907 3.965 40 0 GHABLO Cc1ccc(SCCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000409172246 231174774 /nfs/dbraw/zinc/17/47/74/231174774.db2.gz FCVJABDKPSYFAQ-UHFFFAOYSA-N 1 2 398.528 3.550 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257239025 222762440 /nfs/dbraw/zinc/76/24/40/222762440.db2.gz HNOSUWXJEZDWIF-INIZCTEOSA-N 1 2 384.867 3.522 40 0 GHABLO OCCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328981770 206239111 /nfs/dbraw/zinc/23/91/11/206239111.db2.gz GVYLYGTYQZHJIH-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO O=C(Cn1cc[nH+]c1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1 ZINC000019376022 207119971 /nfs/dbraw/zinc/11/99/71/207119971.db2.gz MLBQIWOOANFSHX-UHFFFAOYSA-N 1 2 376.435 3.775 40 0 GHABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000019453723 207124339 /nfs/dbraw/zinc/12/43/39/207124339.db2.gz OGDUABGUEGUPET-UHFFFAOYSA-N 1 2 386.927 3.648 40 0 GHABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000019453723 207124343 /nfs/dbraw/zinc/12/43/43/207124343.db2.gz OGDUABGUEGUPET-UHFFFAOYSA-N 1 2 386.927 3.648 40 0 GHABLO CCn1ncc(-c2csc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)n2)c1C ZINC000019524068 207129537 /nfs/dbraw/zinc/12/95/37/207129537.db2.gz ZEMZTUKFMBJOKC-OAHLLOKOSA-N 1 2 396.520 3.585 40 0 GHABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1 ZINC000019453611 207123097 /nfs/dbraw/zinc/12/30/97/207123097.db2.gz CZICQFLYTPRKBW-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1 ZINC000019453611 207123101 /nfs/dbraw/zinc/12/31/01/207123101.db2.gz CZICQFLYTPRKBW-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1ccc2cc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)c(OC)nc2c1 ZINC000019563959 207134235 /nfs/dbraw/zinc/13/42/35/207134235.db2.gz LARWAHGOTJDGIW-OAQYLSRUSA-N 1 2 393.487 3.828 40 0 GHABLO COc1ccc2cc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)c(OC)nc2c1 ZINC000019563959 207134240 /nfs/dbraw/zinc/13/42/40/207134240.db2.gz LARWAHGOTJDGIW-OAQYLSRUSA-N 1 2 393.487 3.828 40 0 GHABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cc(C)cc3cccnc31)CC2 ZINC000019664495 207147463 /nfs/dbraw/zinc/14/74/63/207147463.db2.gz QELGTLMTQGVUJU-UHFFFAOYSA-N 1 2 391.471 3.557 40 0 GHABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cc(C)cc3cccnc31)CC2 ZINC000019664495 207147466 /nfs/dbraw/zinc/14/74/66/207147466.db2.gz QELGTLMTQGVUJU-UHFFFAOYSA-N 1 2 391.471 3.557 40 0 GHABLO COc1ccc(-c2cs/c(=N\c3cccc(C)c3)n2N2CC[NH+](C)CC2)cc1 ZINC000028114398 207335057 /nfs/dbraw/zinc/33/50/57/207335057.db2.gz ZPDPKMVNODCMLE-FCQUAONHSA-N 1 2 394.544 3.649 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)CCc2ccccc2)cc[nH+]1 ZINC000072357483 208001706 /nfs/dbraw/zinc/00/17/06/208001706.db2.gz IODOPVXVEFLGQE-LJQANCHMSA-N 1 2 375.476 3.740 40 0 GHABLO Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)n1 ZINC000072359415 208004032 /nfs/dbraw/zinc/00/40/32/208004032.db2.gz XOXVKKSVDCRTRX-UHFFFAOYSA-N 1 2 393.516 3.727 40 0 GHABLO Cc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096037493 208255515 /nfs/dbraw/zinc/25/55/15/208255515.db2.gz GITYIPIAGONINS-JOCHJYFZSA-N 1 2 389.503 3.906 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306133152 209100856 /nfs/dbraw/zinc/10/08/56/209100856.db2.gz MDPNJICQZZZHTG-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306133152 209100858 /nfs/dbraw/zinc/10/08/58/209100858.db2.gz MDPNJICQZZZHTG-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO CC(C)Oc1cccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000219245648 208844480 /nfs/dbraw/zinc/84/44/80/208844480.db2.gz DLSVEPMFJQQVMW-UHFFFAOYSA-N 1 2 396.531 3.669 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306124811 209098324 /nfs/dbraw/zinc/09/83/24/209098324.db2.gz CAAXBWUSVDOEJC-NQIIRXRSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306124811 209098327 /nfs/dbraw/zinc/09/83/27/209098327.db2.gz CAAXBWUSVDOEJC-NQIIRXRSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125073 209097458 /nfs/dbraw/zinc/09/74/58/209097458.db2.gz CGGADPSHNCPTJG-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125073 209097459 /nfs/dbraw/zinc/09/74/59/209097459.db2.gz CGGADPSHNCPTJG-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO O[C@@H](c1cccnc1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000072340662 136168513 /nfs/dbraw/zinc/16/85/13/136168513.db2.gz MYBPKDFURXOIRK-QHCPKHFHSA-N 1 2 395.453 3.764 40 0 GHABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1cn(C)c[nH+]1)CCO2 ZINC000257330521 209077062 /nfs/dbraw/zinc/07/70/62/209077062.db2.gz XOTATQKJYDHVBS-FKBYEOEOSA-N 1 2 387.499 3.564 40 0 GHABLO CC1CC[NH+](CC(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000409385045 528232986 /nfs/dbraw/zinc/23/29/86/528232986.db2.gz IGOTWTKZWWATIR-UHFFFAOYSA-N 1 2 390.119 3.882 40 0 GHABLO CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320882 560077773 /nfs/dbraw/zinc/07/77/73/560077773.db2.gz AGGGVSQIHJDVLY-BZSNNMDCSA-N 1 2 389.565 3.520 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(Cl)cc3)n2)cc1 ZINC000015674677 560095174 /nfs/dbraw/zinc/09/51/74/560095174.db2.gz VPGAQQLFUZVUMN-AEFFLSMTSA-N 1 2 385.851 3.707 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(Cl)cc3)n2)cc1 ZINC000015674677 560095175 /nfs/dbraw/zinc/09/51/75/560095175.db2.gz VPGAQQLFUZVUMN-AEFFLSMTSA-N 1 2 385.851 3.707 40 0 biogenic,in-vitro GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329010799 570212321 /nfs/dbraw/zinc/21/23/21/570212321.db2.gz MBTSFCRLWIUQPM-MRXNPFEDSA-N 1 2 391.313 3.711 40 0 GHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3C(=O)C=Cc3c[nH]c[nH+]3)cs2)nc1 ZINC000585291816 570260876 /nfs/dbraw/zinc/26/08/76/570260876.db2.gz SVMQKPQOLBMPOO-YERXGYGTSA-N 1 2 380.477 3.690 40 0 GHABLO Clc1ccc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)cc1Cl ZINC000022931380 570379431 /nfs/dbraw/zinc/37/94/31/570379431.db2.gz JCUMLSZLIHCNRU-UHFFFAOYSA-N 1 2 380.319 3.723 40 0 GHABLO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000039377198 570443924 /nfs/dbraw/zinc/44/39/24/570443924.db2.gz PUJSOUOYRDPRTO-FCHUYYIVSA-N 1 2 391.471 3.981 40 0 GHABLO Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000225199724 570555155 /nfs/dbraw/zinc/55/51/55/570555155.db2.gz CEVHMCFCPZVYDR-UHFFFAOYSA-N 1 2 387.443 3.562 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2)cc1 ZINC000001346369 570572241 /nfs/dbraw/zinc/57/22/41/570572241.db2.gz FTUSVPVENCCKGE-UHFFFAOYSA-N 1 2 375.457 3.855 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCCCC2)cc1C ZINC000001346419 570572273 /nfs/dbraw/zinc/57/22/73/570572273.db2.gz MGYHLALKQLSDLU-UHFFFAOYSA-N 1 2 395.532 3.927 40 0 GHABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1cccc(F)c1)C3 ZINC000012185457 570620381 /nfs/dbraw/zinc/62/03/81/570620381.db2.gz QCPBLKNWEHOZRZ-UHFFFAOYSA-N 1 2 378.407 3.701 40 0 GHABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1cccc(F)c1)C3 ZINC000012185457 570620386 /nfs/dbraw/zinc/62/03/86/570620386.db2.gz QCPBLKNWEHOZRZ-UHFFFAOYSA-N 1 2 378.407 3.701 40 0 GHABLO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044855421 570636772 /nfs/dbraw/zinc/63/67/72/570636772.db2.gz SYJXXSLIEOCCPG-NRFANRHFSA-N 1 2 394.515 3.859 40 0 GHABLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000004908723 570647973 /nfs/dbraw/zinc/64/79/73/570647973.db2.gz ARYYXOFRUJXHMR-UHFFFAOYSA-N 1 2 393.531 3.753 40 0 GHABLO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[N@@H+]1CCO[C@H](c3ccc(F)cc3)C1)=CC2 ZINC000048234775 570656620 /nfs/dbraw/zinc/65/66/20/570656620.db2.gz HCTQBABQZRDQQK-NMIHRBCNSA-N 1 2 389.511 3.569 40 0 GHABLO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[N@H+]1CCO[C@H](c3ccc(F)cc3)C1)=CC2 ZINC000048234775 570656621 /nfs/dbraw/zinc/65/66/21/570656621.db2.gz HCTQBABQZRDQQK-NMIHRBCNSA-N 1 2 389.511 3.569 40 0 GHABLO COc1ccc(-c2cc(C(=O)N3C[C@H](C)[N@H+](Cc4ccco4)C[C@@H]3C)no2)cc1 ZINC000057796522 570703894 /nfs/dbraw/zinc/70/38/94/570703894.db2.gz MYAYOHNOYMYFQX-HOTGVXAUSA-N 1 2 395.459 3.678 40 0 GHABLO COc1ccc(-c2cc(C(=O)N3C[C@H](C)[N@@H+](Cc4ccco4)C[C@@H]3C)no2)cc1 ZINC000057796522 570703898 /nfs/dbraw/zinc/70/38/98/570703898.db2.gz MYAYOHNOYMYFQX-HOTGVXAUSA-N 1 2 395.459 3.678 40 0 GHABLO NC(=O)c1ccc(-c2cccc([C@H]3C[N@H+](Cc4ccc(F)cc4)CCO3)n2)cc1 ZINC000257239269 570767556 /nfs/dbraw/zinc/76/75/56/570767556.db2.gz HOQCXCBCYGVTHS-JOCHJYFZSA-N 1 2 391.446 3.560 40 0 GHABLO NC(=O)c1ccc(-c2cccc([C@H]3C[N@@H+](Cc4ccc(F)cc4)CCO3)n2)cc1 ZINC000257239269 570767558 /nfs/dbraw/zinc/76/75/58/570767558.db2.gz HOQCXCBCYGVTHS-JOCHJYFZSA-N 1 2 391.446 3.560 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1sccc1C ZINC000261362411 570788223 /nfs/dbraw/zinc/78/82/23/570788223.db2.gz JTNSQFBKRVWZMM-SFHVURJKSA-O 1 2 399.521 3.532 40 0 GHABLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000012818995 570813758 /nfs/dbraw/zinc/81/37/58/570813758.db2.gz LEDCYKNYWBNCCU-KEYYUXOJSA-N 1 2 397.357 3.830 40 0 GHABLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000012818995 570813759 /nfs/dbraw/zinc/81/37/59/570813759.db2.gz LEDCYKNYWBNCCU-KEYYUXOJSA-N 1 2 397.357 3.830 40 0 GHABLO OCCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329030348 206240811 /nfs/dbraw/zinc/24/08/11/206240811.db2.gz QDDWASAAEKHGGW-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO c1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC3)[nH+]2)cc1 ZINC000329006399 206241345 /nfs/dbraw/zinc/24/13/45/206241345.db2.gz LDZBDIWJUJTRQS-UHFFFAOYSA-N 1 2 387.487 3.720 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329027635 206241506 /nfs/dbraw/zinc/24/15/06/206241506.db2.gz PSFNRHJMFKFYSF-FQEVSTJZSA-N 1 2 380.467 3.746 40 0 GHABLO c1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000001440018 206381575 /nfs/dbraw/zinc/38/15/75/206381575.db2.gz WIOGZHGLPOBFTM-UHFFFAOYSA-N 1 2 380.496 3.754 40 0 GHABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)ncc2C1 ZINC000019018282 207099597 /nfs/dbraw/zinc/09/95/97/207099597.db2.gz BCBVTRQMDNMAQD-FQEVSTJZSA-N 1 2 384.911 3.762 40 0 GHABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)ncc2C1 ZINC000019018282 207099601 /nfs/dbraw/zinc/09/96/01/207099601.db2.gz BCBVTRQMDNMAQD-FQEVSTJZSA-N 1 2 384.911 3.762 40 0 GHABLO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019136134 207104848 /nfs/dbraw/zinc/10/48/48/207104848.db2.gz GWIBRNVPNKFWLL-DYESRHJHSA-N 1 2 378.520 3.630 40 0 GHABLO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019136134 207104849 /nfs/dbraw/zinc/10/48/49/207104849.db2.gz GWIBRNVPNKFWLL-DYESRHJHSA-N 1 2 378.520 3.630 40 0 GHABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019292933 207115599 /nfs/dbraw/zinc/11/55/99/207115599.db2.gz CHLVKTUJARVFLE-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019292933 207115601 /nfs/dbraw/zinc/11/56/01/207115601.db2.gz CHLVKTUJARVFLE-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO c1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(Nc4cccnc4)c3C2)cc1 ZINC000019372330 207120298 /nfs/dbraw/zinc/12/02/98/207120298.db2.gz XPGLGTCLRHTKRD-UHFFFAOYSA-N 1 2 386.503 3.774 40 0 GHABLO c1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(Nc4cccnc4)c3C2)cc1 ZINC000019372330 207120301 /nfs/dbraw/zinc/12/03/01/207120301.db2.gz XPGLGTCLRHTKRD-UHFFFAOYSA-N 1 2 386.503 3.774 40 0 GHABLO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](COc3cccc(C)c3)C2)c1C ZINC000019523855 207128822 /nfs/dbraw/zinc/12/88/22/207128822.db2.gz BHONTIMCZSMDGR-LJQANCHMSA-N 1 2 384.524 3.558 40 0 GHABLO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](COc3cccc(C)c3)C2)c1C ZINC000019523855 207128826 /nfs/dbraw/zinc/12/88/26/207128826.db2.gz BHONTIMCZSMDGR-LJQANCHMSA-N 1 2 384.524 3.558 40 0 GHABLO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(-c4ccc(N)[nH+]c4)cn3)c2c1 ZINC000019688659 207149140 /nfs/dbraw/zinc/14/91/40/207149140.db2.gz JDBBUJIQXUCSHQ-FQEVSTJZSA-N 1 2 398.470 3.888 40 0 GHABLO Cn1nc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1-c1ccc(Cl)cc1 ZINC000019660460 207144966 /nfs/dbraw/zinc/14/49/66/207144966.db2.gz JEQCQSRSSJGUHZ-GOSISDBHSA-N 1 2 385.899 3.782 40 0 GHABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1OC ZINC000019714118 207151883 /nfs/dbraw/zinc/15/18/83/207151883.db2.gz KTOBIEWVWWDOOK-GOSISDBHSA-N 1 2 398.507 3.791 40 0 GHABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1OC ZINC000019714118 207151885 /nfs/dbraw/zinc/15/18/85/207151885.db2.gz KTOBIEWVWWDOOK-GOSISDBHSA-N 1 2 398.507 3.791 40 0 GHABLO CCOc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OCC ZINC000020454843 207194422 /nfs/dbraw/zinc/19/44/22/207194422.db2.gz IREFXXGBYBNCPW-UHFFFAOYSA-N 1 2 393.487 3.919 40 0 GHABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)c1O ZINC000031430168 207382031 /nfs/dbraw/zinc/38/20/31/207382031.db2.gz HRGWMGTYIRQYMO-NJDIQBRYSA-N 1 2 383.444 3.712 40 0 GHABLO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072363223 208004600 /nfs/dbraw/zinc/00/46/00/208004600.db2.gz GALJSVSJUFAVGG-QGZVFWFLSA-N 1 2 393.491 3.874 40 0 GHABLO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072363223 208004604 /nfs/dbraw/zinc/00/46/04/208004604.db2.gz GALJSVSJUFAVGG-QGZVFWFLSA-N 1 2 393.491 3.874 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072378872 208011793 /nfs/dbraw/zinc/01/17/93/208011793.db2.gz DGQJLOKIKPQJBE-SFHVURJKSA-N 1 2 375.476 3.806 40 0 GHABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccoc1)CC2 ZINC000096037038 208256882 /nfs/dbraw/zinc/25/68/82/208256882.db2.gz DQBSPCNGXXPPEA-UHFFFAOYSA-N 1 2 390.487 3.610 40 0 GHABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccoc1)CC2 ZINC000096037038 208256889 /nfs/dbraw/zinc/25/68/89/208256889.db2.gz DQBSPCNGXXPPEA-UHFFFAOYSA-N 1 2 390.487 3.610 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)nnn3c2)cc1 ZINC000306131370 209102191 /nfs/dbraw/zinc/10/21/91/209102191.db2.gz KCRBATCTEKGJOK-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)nnn3c2)cc1 ZINC000306131370 209102188 /nfs/dbraw/zinc/10/21/88/209102188.db2.gz KCRBATCTEKGJOK-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306130512 209099353 /nfs/dbraw/zinc/09/93/53/209099353.db2.gz JIRQWDKOHBENSE-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306130512 209099356 /nfs/dbraw/zinc/09/93/56/209099356.db2.gz JIRQWDKOHBENSE-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO O=C(NCc1[nH]cc[nH+]1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257249712 209060724 /nfs/dbraw/zinc/06/07/24/209060724.db2.gz JJLRQJYTOSBZQB-UHFFFAOYSA-N 1 2 393.462 3.872 40 0 GHABLO Cn1cc[nH+]c1CN1CC2(C1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 ZINC000257306211 209072615 /nfs/dbraw/zinc/07/26/15/209072615.db2.gz STHYPDRXEQDDRU-QFBILLFUSA-N 1 2 387.911 3.824 40 0 GHABLO COc1cc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000219862773 136204348 /nfs/dbraw/zinc/20/43/48/136204348.db2.gz DEEYOBHOHWNYBZ-UHFFFAOYSA-N 1 2 398.503 3.554 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 ZINC000072348900 222234433 /nfs/dbraw/zinc/23/44/33/222234433.db2.gz VTTYDTPLGOXPCT-GOSISDBHSA-N 1 2 392.528 3.947 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 ZINC000072348900 222234435 /nfs/dbraw/zinc/23/44/35/222234435.db2.gz VTTYDTPLGOXPCT-GOSISDBHSA-N 1 2 392.528 3.947 40 0 GHABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425405 560080311 /nfs/dbraw/zinc/08/03/11/560080311.db2.gz HGFOJNLATWTZKO-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425405 560080313 /nfs/dbraw/zinc/08/03/13/560080313.db2.gz HGFOJNLATWTZKO-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO CC(C)(C)NC(=O)C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000057688734 570364936 /nfs/dbraw/zinc/36/49/36/570364936.db2.gz FNYKFTCIZWLVJQ-UHFFFAOYSA-N 1 2 392.956 3.500 40 0 GHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670554 570368238 /nfs/dbraw/zinc/36/82/38/570368238.db2.gz LRLZJSRNMHGYRR-FQEVSTJZSA-N 1 2 396.926 3.648 40 0 GHABLO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000039377199 570443887 /nfs/dbraw/zinc/44/38/87/570443887.db2.gz PUJSOUOYRDPRTO-VXKWHMMOSA-N 1 2 391.471 3.981 40 0 GHABLO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330503 570568018 /nfs/dbraw/zinc/56/80/18/570568018.db2.gz NZDYFOWLISAGRE-NRFANRHFSA-N 1 2 377.492 3.551 40 0 GHABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1nccc2ccccc21)c1ccc(F)c(F)c1 ZINC000012115025 570610162 /nfs/dbraw/zinc/61/01/62/570610162.db2.gz YVICVJGWXXGGMI-SFHVURJKSA-N 1 2 378.382 3.766 40 0 GHABLO CC(=O)c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000012259118 570631405 /nfs/dbraw/zinc/63/14/05/570631405.db2.gz BGAWASCYYODQBU-CQSZACIVSA-N 1 2 384.867 3.589 40 0 GHABLO CC(=O)c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000012259118 570631408 /nfs/dbraw/zinc/63/14/08/570631408.db2.gz BGAWASCYYODQBU-CQSZACIVSA-N 1 2 384.867 3.589 40 0 GHABLO COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000004847678 570634392 /nfs/dbraw/zinc/63/43/92/570634392.db2.gz HQGCKVIZPKEWPH-OAQYLSRUSA-N 1 2 395.482 3.690 40 0 GHABLO CCCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044851635 570636288 /nfs/dbraw/zinc/63/62/88/570636288.db2.gz ISIXHFJUSYOTHG-UHFFFAOYSA-N 1 2 396.531 3.670 40 0 GHABLO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[N@@H+]1CCO[C@@H](c3ccc(F)cc3)C1)=CC2 ZINC000058576466 570734697 /nfs/dbraw/zinc/73/46/97/570734697.db2.gz HCTQBABQZRDQQK-JKLQHZFJSA-N 1 2 389.511 3.569 40 0 GHABLO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[N@H+]1CCO[C@@H](c3ccc(F)cc3)C1)=CC2 ZINC000058576466 570734700 /nfs/dbraw/zinc/73/47/00/570734700.db2.gz HCTQBABQZRDQQK-JKLQHZFJSA-N 1 2 389.511 3.569 40 0 GHABLO COc1ccc(OCCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000014401500 570890731 /nfs/dbraw/zinc/89/07/31/570890731.db2.gz XVEHCZHZGFPHKG-WEVVVXLNSA-N 1 2 394.515 3.712 40 0 GHABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329067329 206243545 /nfs/dbraw/zinc/24/35/45/206243545.db2.gz YHTCTJJVYHHJMR-MRXNPFEDSA-N 1 2 398.429 3.713 40 0 GHABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329069121 206244590 /nfs/dbraw/zinc/24/45/90/206244590.db2.gz YVIZALRBJVGGTR-NRFANRHFSA-N 1 2 376.504 3.915 40 0 GHABLO CC(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328982799 206239547 /nfs/dbraw/zinc/23/95/47/206239547.db2.gz HCHYHASELZCCLZ-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306138561 209106940 /nfs/dbraw/zinc/10/69/40/209106940.db2.gz SAVKSTMRTRPJMA-WIYYLYMNSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306138561 209106937 /nfs/dbraw/zinc/10/69/37/209106937.db2.gz SAVKSTMRTRPJMA-WIYYLYMNSA-N 1 2 383.444 3.841 40 0 GHABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019533356 207130026 /nfs/dbraw/zinc/13/00/26/207130026.db2.gz YPOFWQWJKRSHAU-QFIPXVFZSA-N 1 2 394.519 3.507 40 0 GHABLO CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019533356 207130030 /nfs/dbraw/zinc/13/00/30/207130030.db2.gz YPOFWQWJKRSHAU-QFIPXVFZSA-N 1 2 394.519 3.507 40 0 GHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000072378472 208010571 /nfs/dbraw/zinc/01/05/71/208010571.db2.gz FWGKHJWDUKFNNU-UHFFFAOYSA-N 1 2 392.478 3.918 40 0 GHABLO CCCN(C)C(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306137251 209103692 /nfs/dbraw/zinc/10/36/92/209103692.db2.gz QQMKPVSFFAXIHI-LJQANCHMSA-N 1 2 377.492 3.548 40 0 GHABLO CCCN(C)C(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306137251 209103690 /nfs/dbraw/zinc/10/36/90/209103690.db2.gz QQMKPVSFFAXIHI-LJQANCHMSA-N 1 2 377.492 3.548 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306134766 209102967 /nfs/dbraw/zinc/10/29/67/209102967.db2.gz NXTOUFDGIQVKTC-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306134766 209102970 /nfs/dbraw/zinc/10/29/70/209102970.db2.gz NXTOUFDGIQVKTC-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306131230 209102596 /nfs/dbraw/zinc/10/25/96/209102596.db2.gz JYWSTFLTRXLEDJ-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306131230 209102599 /nfs/dbraw/zinc/10/25/99/209102599.db2.gz JYWSTFLTRXLEDJ-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306130782 209100189 /nfs/dbraw/zinc/10/01/89/209100189.db2.gz JPHWQYBFLPDZDM-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306130782 209100193 /nfs/dbraw/zinc/10/01/93/209100193.db2.gz JPHWQYBFLPDZDM-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO c1ccc(Cc2nnc(N3CCN(c4cccc[nH+]4)CC3)c3ccccc23)cc1 ZINC000016480912 221363424 /nfs/dbraw/zinc/36/34/24/221363424.db2.gz FCTUWPXBMWNCFN-UHFFFAOYSA-N 1 2 381.483 3.942 40 0 GHABLO O[C@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072340696 136168601 /nfs/dbraw/zinc/16/86/01/136168601.db2.gz PCLGYBBGTFITHW-QHCPKHFHSA-N 1 2 395.453 3.764 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 ZINC000219854842 136204445 /nfs/dbraw/zinc/20/44/45/136204445.db2.gz XQXAJMXJNRCONL-UHFFFAOYSA-N 1 2 379.504 3.988 40 0 GHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1F ZINC000328969994 570210156 /nfs/dbraw/zinc/21/01/56/570210156.db2.gz DIDOIBPZTTUFEW-IBGZPJMESA-N 1 2 396.466 3.886 40 0 GHABLO Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ccn2)n1 ZINC000585291334 570259816 /nfs/dbraw/zinc/25/98/16/570259816.db2.gz NTUTUMKTMMJIKU-DVBCCOPCSA-N 1 2 388.475 3.671 40 0 GHABLO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NCc1ccccc1 ZINC000001221539 570564216 /nfs/dbraw/zinc/56/42/16/570564216.db2.gz KLFQXVFXBIUNTH-OAHLLOKOSA-N 1 2 389.484 3.613 40 0 GHABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1C ZINC000012088304 570606794 /nfs/dbraw/zinc/60/67/94/570606794.db2.gz ZCTGRQOTWYXZAO-OAQYLSRUSA-N 1 2 377.488 3.718 40 0 GHABLO C[C@H](CCc1ccco1)NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116352 570610939 /nfs/dbraw/zinc/61/09/39/570610939.db2.gz IFPHTZYOPUETPA-MRXNPFEDSA-N 1 2 380.492 3.520 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000012116380 570611034 /nfs/dbraw/zinc/61/10/34/570611034.db2.gz SDXDIYCAJXOLHQ-UHFFFAOYSA-N 1 2 380.467 3.728 40 0 GHABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000049468197 570663438 /nfs/dbraw/zinc/66/34/38/570663438.db2.gz SRPPWFSRWBJQHM-UHFFFAOYSA-N 1 2 394.431 3.663 40 0 GHABLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000054173011 570676192 /nfs/dbraw/zinc/67/61/92/570676192.db2.gz ATKLHBPGIJNDJU-SDOQWUHBSA-N 1 2 381.564 3.530 40 0 GHABLO Cc1ccc(C)c(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000013710847 570777658 /nfs/dbraw/zinc/77/76/58/570777658.db2.gz ITSIMYGRDIXZPL-TYOLEZHBSA-N 1 2 378.516 3.928 40 0 GHABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)CC1 ZINC000038280057 856441676 /nfs/dbraw/zinc/44/16/76/856441676.db2.gz PUFXOCAYRMATFL-UHFFFAOYSA-N 1 2 395.890 3.607 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329067738 206243643 /nfs/dbraw/zinc/24/36/43/206243643.db2.gz YKNWIPVBFBIHHG-MRXNPFEDSA-N 1 2 391.313 3.711 40 0 GHABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000057720074 206278357 /nfs/dbraw/zinc/27/83/57/206278357.db2.gz MQVFBPPWXPAEJJ-UHFFFAOYSA-N 1 2 397.519 3.553 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000019130161 207105128 /nfs/dbraw/zinc/10/51/28/207105128.db2.gz XACLLCBHLYTWQT-MSOLQXFVSA-N 1 2 392.503 3.662 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000019130161 207105132 /nfs/dbraw/zinc/10/51/32/207105132.db2.gz XACLLCBHLYTWQT-MSOLQXFVSA-N 1 2 392.503 3.662 40 0 GHABLO CCn1c(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)nc2ccccc21 ZINC000019524298 207128156 /nfs/dbraw/zinc/12/81/56/207128156.db2.gz NUBBSBKMDNYYFG-UHFFFAOYSA-N 1 2 376.460 3.801 40 0 GHABLO CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)c2C1 ZINC000019716183 207154083 /nfs/dbraw/zinc/15/40/83/207154083.db2.gz KCWAZPXUDKXJEE-KRWDZBQOSA-N 1 2 396.535 3.569 40 0 GHABLO CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)c2C1 ZINC000019716183 207154088 /nfs/dbraw/zinc/15/40/88/207154088.db2.gz KCWAZPXUDKXJEE-KRWDZBQOSA-N 1 2 396.535 3.569 40 0 GHABLO COc1cc2c(cc1-c1c[nH+]cn1CCCn1nc(C)cc1C)OCCCO2 ZINC000019720036 207155673 /nfs/dbraw/zinc/15/56/73/207155673.db2.gz PJSVNLIICJMSQB-UHFFFAOYSA-N 1 2 382.464 3.624 40 0 GHABLO CCCn1ncc2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc21 ZINC000019743650 207157719 /nfs/dbraw/zinc/15/77/19/207157719.db2.gz SVWDBHCRZKPFSS-QGZVFWFLSA-N 1 2 395.482 3.799 40 0 GHABLO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc21 ZINC000019743650 207157722 /nfs/dbraw/zinc/15/77/22/207157722.db2.gz SVWDBHCRZKPFSS-QGZVFWFLSA-N 1 2 395.482 3.799 40 0 GHABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072378013 208010305 /nfs/dbraw/zinc/01/03/05/208010305.db2.gz UCBMRTOXMBVHHE-SFHVURJKSA-N 1 2 394.504 3.972 40 0 GHABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072378013 208010312 /nfs/dbraw/zinc/01/03/12/208010312.db2.gz UCBMRTOXMBVHHE-SFHVURJKSA-N 1 2 394.504 3.972 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378916 208011178 /nfs/dbraw/zinc/01/11/78/208011178.db2.gz OQQJORJCDDBHEO-IBGZPJMESA-N 1 2 378.451 3.875 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306139997 209105717 /nfs/dbraw/zinc/10/57/17/209105717.db2.gz UGKFTUPZUOJXOQ-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306139997 209105722 /nfs/dbraw/zinc/10/57/22/209105722.db2.gz UGKFTUPZUOJXOQ-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)n1 ZINC000306124539 209097986 /nfs/dbraw/zinc/09/79/86/209097986.db2.gz BTIRPXYHHIPDBC-CTNGQTDRSA-N 1 2 396.537 3.874 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306125003 209097436 /nfs/dbraw/zinc/09/74/36/209097436.db2.gz CEGZCGAYZJEYKX-UGKGYDQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306125003 209097438 /nfs/dbraw/zinc/09/74/38/209097438.db2.gz CEGZCGAYZJEYKX-UGKGYDQZSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)n1 ZINC000306124539 209097990 /nfs/dbraw/zinc/09/79/90/209097990.db2.gz BTIRPXYHHIPDBC-CTNGQTDRSA-N 1 2 396.537 3.874 40 0 GHABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccs2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111867 209009585 /nfs/dbraw/zinc/00/95/85/209009585.db2.gz KLYWJWGHQDLTML-PXNSSMCTSA-N 1 2 391.496 3.712 40 0 biogenic,in-vitro GHABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccs2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111867 209009588 /nfs/dbraw/zinc/00/95/88/209009588.db2.gz KLYWJWGHQDLTML-PXNSSMCTSA-N 1 2 391.496 3.712 40 0 biogenic,in-vitro GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257210395 209056137 /nfs/dbraw/zinc/05/61/37/209056137.db2.gz BULBWXGNFUBDHI-GOSISDBHSA-N 1 2 384.867 3.869 40 0 GHABLO CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216783 136185384 /nfs/dbraw/zinc/18/53/84/136185384.db2.gz OCYRTJAJEFPQLH-JOCHJYFZSA-N 1 2 399.560 3.886 40 0 GHABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035426236 560080404 /nfs/dbraw/zinc/08/04/04/560080404.db2.gz VSPXIAXGTQKMGX-KRWDZBQOSA-N 1 2 385.418 3.813 40 0 biogenic,in-vitro GHABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035426236 560080405 /nfs/dbraw/zinc/08/04/05/560080405.db2.gz VSPXIAXGTQKMGX-KRWDZBQOSA-N 1 2 385.418 3.813 40 0 biogenic,in-vitro GHABLO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@H]2C)cc1 ZINC000021661434 570305494 /nfs/dbraw/zinc/30/54/94/570305494.db2.gz PVXZBZIMTQQPRG-GOSISDBHSA-N 1 2 384.487 3.839 40 0 GHABLO Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C[NH+]3CCOCC3)c1)CC(C)(C)O2 ZINC000219246547 570350286 /nfs/dbraw/zinc/35/02/86/570350286.db2.gz JIZJAQPEAOJWME-NRFANRHFSA-N 1 2 394.515 3.859 40 0 GHABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670557 570368393 /nfs/dbraw/zinc/36/83/93/570368393.db2.gz LRLZJSRNMHGYRR-HXUWFJFHSA-N 1 2 396.926 3.648 40 0 GHABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000035314470 570469101 /nfs/dbraw/zinc/46/91/01/570469101.db2.gz AYXQCOOGNKOXGF-UHFFFAOYSA-N 1 2 391.443 3.649 40 0 GHABLO Cc1cc(OCC(=O)NCc2noc(-c3ccccc3)n2)c2cccc(C)c2[nH+]1 ZINC000012202950 570625063 /nfs/dbraw/zinc/62/50/63/570625063.db2.gz LILJYRZTVWPBAC-UHFFFAOYSA-N 1 2 388.427 3.597 40 0 GHABLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1 ZINC000004908749 570647946 /nfs/dbraw/zinc/64/79/46/570647946.db2.gz GDNKKFATUVLFRD-UHFFFAOYSA-N 1 2 385.552 3.711 40 0 GHABLO CC(C)(C)n1nnnc1[C@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925499 570649159 /nfs/dbraw/zinc/64/91/59/570649159.db2.gz LLIAZXYCYNBBHB-NRFANRHFSA-N 1 2 390.535 3.867 40 0 GHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)cc[nH+]1 ZINC000257242784 570768771 /nfs/dbraw/zinc/76/87/71/570768771.db2.gz IECYMHXFDXEITK-NRFANRHFSA-N 1 2 393.531 3.851 40 0 GHABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1cccc(F)c1C)CC2 ZINC000585111218 570945696 /nfs/dbraw/zinc/94/56/96/570945696.db2.gz JQYSCLJGLFBGFX-UHFFFAOYSA-N 1 2 393.462 3.843 40 0 GHABLO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1O ZINC000006958883 856386975 /nfs/dbraw/zinc/38/69/75/856386975.db2.gz AYDUTOMKOQNGBE-UHFFFAOYSA-N 1 2 390.936 3.938 40 0 GHABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000008493718 856407128 /nfs/dbraw/zinc/40/71/28/856407128.db2.gz JCFFTKAHHPBBFB-TYOLEZHBSA-N 1 2 378.516 3.928 40 0 GHABLO O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707186 291134622 /nfs/dbraw/zinc/13/46/22/291134622.db2.gz NPMPLPLHCPCSFJ-SFHVURJKSA-N 1 2 386.415 3.791 40 0 biogenic,in-vitro GHABLO O=C(Nc1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707186 291134623 /nfs/dbraw/zinc/13/46/23/291134623.db2.gz NPMPLPLHCPCSFJ-SFHVURJKSA-N 1 2 386.415 3.791 40 0 biogenic,in-vitro GHABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328972176 206239422 /nfs/dbraw/zinc/23/94/22/206239422.db2.gz DUUGYELZZASTBS-NSHDSACASA-N 1 2 382.386 3.519 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016897 206240945 /nfs/dbraw/zinc/24/09/45/206240945.db2.gz NJZFKSWUNROTKO-CYBMUJFWSA-N 1 2 386.402 3.703 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329027642 206241661 /nfs/dbraw/zinc/24/16/61/206241661.db2.gz PSFNRHJMFKFYSF-HXUWFJFHSA-N 1 2 380.467 3.746 40 0 GHABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC ZINC000019215100 207108409 /nfs/dbraw/zinc/10/84/09/207108409.db2.gz GBSBTDIXFHRDGY-QGZVFWFLSA-N 1 2 380.448 3.794 40 0 GHABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC ZINC000019215100 207108412 /nfs/dbraw/zinc/10/84/12/207108412.db2.gz GBSBTDIXFHRDGY-QGZVFWFLSA-N 1 2 380.448 3.794 40 0 GHABLO Cc1c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cnn1Cc1ccccc1 ZINC000019554507 207132479 /nfs/dbraw/zinc/13/24/79/207132479.db2.gz ZUXOJOSCFXVFTG-HSZRJFAPSA-N 1 2 376.504 3.816 40 0 GHABLO Cc1c(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cnn1Cc1ccccc1 ZINC000019554507 207132485 /nfs/dbraw/zinc/13/24/85/207132485.db2.gz ZUXOJOSCFXVFTG-HSZRJFAPSA-N 1 2 376.504 3.816 40 0 GHABLO Cc1cc(N2CCC([C@@H]3CC=CCN(C)C3=O)CC2)nc(-c2ccccc2)[nH+]1 ZINC000019698496 207149161 /nfs/dbraw/zinc/14/91/61/207149161.db2.gz SUGYCYZORVUFKS-FQEVSTJZSA-N 1 2 376.504 3.703 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2cn(C)nc2C)cs1 ZINC000019718469 207155992 /nfs/dbraw/zinc/15/59/92/207155992.db2.gz GHYZPWNBJCHICQ-ZDUSSCGKSA-N 1 2 394.504 3.964 40 0 GHABLO CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022363022 207251689 /nfs/dbraw/zinc/25/16/89/207251689.db2.gz VCFOSMCDRBUVQQ-UHFFFAOYSA-N 1 2 382.504 3.834 40 0 GHABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000030847675 207375068 /nfs/dbraw/zinc/37/50/68/207375068.db2.gz HOPOZOJEOMUCES-UHFFFAOYSA-N 1 2 382.272 3.658 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353085 207999680 /nfs/dbraw/zinc/99/96/80/207999680.db2.gz PIKLVPRCERKVGT-LJQANCHMSA-N 1 2 376.464 3.548 40 0 GHABLO O=S(=O)(c1cccs1)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096145068 208273472 /nfs/dbraw/zinc/27/34/72/208273472.db2.gz PVGYJVNSHCCAJP-UHFFFAOYSA-N 1 2 399.541 3.738 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306141139 209105636 /nfs/dbraw/zinc/10/56/36/209105636.db2.gz VMCLTYFXCYAYDP-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306141139 209105640 /nfs/dbraw/zinc/10/56/40/209105640.db2.gz VMCLTYFXCYAYDP-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000033730764 208996182 /nfs/dbraw/zinc/99/61/82/208996182.db2.gz WWATUSHQVSRAIO-DCGLDWPTSA-N 1 2 386.521 3.881 40 0 GHABLO CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)cc[nH+]1 ZINC000257308513 209072623 /nfs/dbraw/zinc/07/26/23/209072623.db2.gz TWYZOMJJGAFMBS-HXUWFJFHSA-N 1 2 379.504 3.826 40 0 GHABLO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000072396146 136169216 /nfs/dbraw/zinc/16/92/16/136169216.db2.gz CLCCLQSHUHMDJU-UHFFFAOYSA-N 1 2 377.488 3.718 40 0 GHABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020139281 136202541 /nfs/dbraw/zinc/20/25/41/136202541.db2.gz ZBDGXGBBGAAWIX-NRFANRHFSA-N 1 2 390.535 3.648 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 ZINC000257315889 209074740 /nfs/dbraw/zinc/07/47/40/209074740.db2.gz VDDZSUNTCZFARQ-SFHVURJKSA-N 1 2 398.536 3.688 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 ZINC000257315889 209074745 /nfs/dbraw/zinc/07/47/45/209074745.db2.gz VDDZSUNTCZFARQ-SFHVURJKSA-N 1 2 398.536 3.688 40 0 GHABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1csc2c1CCCC2 ZINC000072392180 222248655 /nfs/dbraw/zinc/24/86/55/222248655.db2.gz IUQLCERGFWTCSP-UHFFFAOYSA-N 1 2 386.517 3.590 40 0 GHABLO CCOc1ccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1 ZINC000013563034 535440542 /nfs/dbraw/zinc/44/05/42/535440542.db2.gz MRYWZLSVEGHHFA-UHFFFAOYSA-N 1 2 393.487 3.500 40 0 GHABLO CC(C)c1noc([C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000015676011 560094690 /nfs/dbraw/zinc/09/46/90/560094690.db2.gz PJGIDXOFJIPGRG-HNNXBMFYSA-N 1 2 386.843 3.901 40 0 biogenic,in-vitro GHABLO CC(C)c1noc([C@@H]2Cc3[nH+]c[nH]c3CN2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000015676011 560094691 /nfs/dbraw/zinc/09/46/91/560094691.db2.gz PJGIDXOFJIPGRG-HNNXBMFYSA-N 1 2 386.843 3.901 40 0 biogenic,in-vitro GHABLO O=C(c1ccco1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675854 560095673 /nfs/dbraw/zinc/09/56/73/560095673.db2.gz SLOSLWSJPGEWRX-HNNXBMFYSA-N 1 2 395.806 3.646 40 0 biogenic,in-vitro GHABLO O=C(c1ccco1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675854 560095674 /nfs/dbraw/zinc/09/56/74/560095674.db2.gz SLOSLWSJPGEWRX-HNNXBMFYSA-N 1 2 395.806 3.646 40 0 biogenic,in-vitro GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000072216052 570316958 /nfs/dbraw/zinc/31/69/58/570316958.db2.gz SZZSEYQPNMIJJQ-FQEVSTJZSA-N 1 2 385.533 3.906 40 0 GHABLO CCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035291446 570460252 /nfs/dbraw/zinc/46/02/52/570460252.db2.gz CFVUBJYMUHUNSE-KRWDZBQOSA-N 1 2 376.936 3.879 40 0 GHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000891688 570512428 /nfs/dbraw/zinc/51/24/28/570512428.db2.gz PGSXKXHWWIHLQF-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO C[NH+]1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CC(C)(C)C3)CC1 ZINC000009937666 570562906 /nfs/dbraw/zinc/56/29/06/570562906.db2.gz RMWRVRWIEWIJBW-UHFFFAOYSA-N 1 2 399.926 3.781 40 0 GHABLO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225734495 570610690 /nfs/dbraw/zinc/61/06/90/570610690.db2.gz ZBZNHGJMXZRRQA-JOCHJYFZSA-N 1 2 392.540 3.568 40 0 GHABLO Nc1ccc(-c2cn3c4ccc(OCC[NH+]5CCOCC5)cc4sc3n2)cc1 ZINC000066352026 570776644 /nfs/dbraw/zinc/77/66/44/570776644.db2.gz LJRZEFJDESVBDJ-UHFFFAOYSA-N 1 2 394.500 3.509 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961041 571047021 /nfs/dbraw/zinc/04/70/21/571047021.db2.gz BAGVTNDLDSLJSM-CYBMUJFWSA-N 1 2 388.393 3.543 40 0 GHABLO CNc1nc(NCc2cccc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965242 571047503 /nfs/dbraw/zinc/04/75/03/571047503.db2.gz CBLMMTUPFRASHB-UHFFFAOYSA-N 1 2 388.393 3.848 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328964903 571047678 /nfs/dbraw/zinc/04/76/78/571047678.db2.gz BXZGESNKLNVBFJ-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO Cc1cc(C(=O)N2CCC3(CCc4[nH+]cc(-c5ccsc5)n4C3)CC2)no1 ZINC000306145126 209108382 /nfs/dbraw/zinc/10/83/82/209108382.db2.gz ZZAIXYFEUOXQOO-UHFFFAOYSA-N 1 2 382.489 3.777 40 0 GHABLO Brc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329004350 206241038 /nfs/dbraw/zinc/24/10/38/206241038.db2.gz KRSBDDKFFCJDTL-UHFFFAOYSA-N 1 2 395.304 3.936 40 0 GHABLO CNc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329055331 206242958 /nfs/dbraw/zinc/24/29/58/206242958.db2.gz VMROCWJVFGAXBU-UHFFFAOYSA-N 1 2 392.356 3.679 40 0 GHABLO CCCc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989821 207006951 /nfs/dbraw/zinc/00/69/51/207006951.db2.gz YSLGNCLDVLBJHS-UHFFFAOYSA-N 1 2 376.460 3.755 40 0 GHABLO CCCc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989821 207006955 /nfs/dbraw/zinc/00/69/55/207006955.db2.gz YSLGNCLDVLBJHS-UHFFFAOYSA-N 1 2 376.460 3.755 40 0 GHABLO CC(C)Oc1cccc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019450893 207122773 /nfs/dbraw/zinc/12/27/73/207122773.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 1 2 380.536 3.979 40 0 GHABLO CC(C)Oc1cccc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019450893 207122775 /nfs/dbraw/zinc/12/27/75/207122775.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 1 2 380.536 3.979 40 0 GHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1OC ZINC000019561123 207135033 /nfs/dbraw/zinc/13/50/33/207135033.db2.gz VYKDNINWIFKDPW-JOCHJYFZSA-N 1 2 382.435 3.965 40 0 GHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1OC ZINC000019561123 207135039 /nfs/dbraw/zinc/13/50/39/207135039.db2.gz VYKDNINWIFKDPW-JOCHJYFZSA-N 1 2 382.435 3.965 40 0 GHABLO Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(-c4ccc(N)[nH+]c4)cn3)c2c1 ZINC000019688657 207148312 /nfs/dbraw/zinc/14/83/12/207148312.db2.gz JDBBUJIQXUCSHQ-HXUWFJFHSA-N 1 2 398.470 3.888 40 0 GHABLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1ccnn1C1CCCC1 ZINC000019659269 207146037 /nfs/dbraw/zinc/14/60/37/207146037.db2.gz ZBCOGYCSIUNRRY-UHFFFAOYSA-N 1 2 386.471 3.619 40 0 GHABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000019754014 207158865 /nfs/dbraw/zinc/15/88/65/207158865.db2.gz VXJARINOQGULHX-UHFFFAOYSA-N 1 2 392.547 3.799 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378441 208007996 /nfs/dbraw/zinc/00/79/96/208007996.db2.gz JOMFVRIFAWQXSB-LJQANCHMSA-N 1 2 375.476 3.692 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072379009 208013216 /nfs/dbraw/zinc/01/32/16/208013216.db2.gz CCLKCAKCAVXLMR-LJQANCHMSA-N 1 2 375.476 3.692 40 0 GHABLO CN1CC[N@@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130614 209098625 /nfs/dbraw/zinc/09/86/25/209098625.db2.gz JKZTVHVEPCPTSN-IBGZPJMESA-N 1 2 379.489 3.540 40 0 GHABLO CN1CC[N@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130614 209098622 /nfs/dbraw/zinc/09/86/22/209098622.db2.gz JKZTVHVEPCPTSN-IBGZPJMESA-N 1 2 379.489 3.540 40 0 GHABLO CN1CC[N@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306124846 209097272 /nfs/dbraw/zinc/09/72/72/209097272.db2.gz CATDSYPIDBTXFA-OAQYLSRUSA-N 1 2 391.450 3.617 40 0 GHABLO CN1CC[N@@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306124846 209097273 /nfs/dbraw/zinc/09/72/73/209097273.db2.gz CATDSYPIDBTXFA-OAQYLSRUSA-N 1 2 391.450 3.617 40 0 GHABLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1F ZINC000257250866 209059028 /nfs/dbraw/zinc/05/90/28/209059028.db2.gz JOJIGIRZWXAIQF-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1F ZINC000257250866 209059033 /nfs/dbraw/zinc/05/90/33/209059033.db2.gz JOJIGIRZWXAIQF-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275924 209066911 /nfs/dbraw/zinc/06/69/11/209066911.db2.gz NROJIRWDXXJZNF-MRXNPFEDSA-N 1 2 379.460 3.833 40 0 GHABLO Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275924 209066914 /nfs/dbraw/zinc/06/69/14/209066914.db2.gz NROJIRWDXXJZNF-MRXNPFEDSA-N 1 2 379.460 3.833 40 0 GHABLO CCc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563050 136201253 /nfs/dbraw/zinc/20/12/53/136201253.db2.gz PZWRXHOQUQRDLX-NRFANRHFSA-N 1 2 377.488 3.664 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329063372 529025126 /nfs/dbraw/zinc/02/51/26/529025126.db2.gz XDOXUQPRMQTWNN-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(Cc3ccccc3)no2)c1 ZINC000015675682 560094811 /nfs/dbraw/zinc/09/48/11/560094811.db2.gz JNUQAJVCKZVDDX-SFHVURJKSA-N 1 2 377.473 3.745 40 0 biogenic,in-vitro GHABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224703 570318543 /nfs/dbraw/zinc/31/85/43/570318543.db2.gz NPAATUXYYCMXIC-FQEVSTJZSA-N 1 2 383.492 3.529 40 0 GHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057615721 570366044 /nfs/dbraw/zinc/36/60/44/570366044.db2.gz KURZMZMUFPTZFX-INIZCTEOSA-N 1 2 399.568 3.701 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669937 570367504 /nfs/dbraw/zinc/36/75/04/570367504.db2.gz FEVKRJGKIWQAKA-IBGZPJMESA-N 1 2 388.535 3.867 40 0 GHABLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222905900 570430952 /nfs/dbraw/zinc/43/09/52/570430952.db2.gz UWSUQMHASAPYQL-SFHVURJKSA-N 1 2 378.516 3.889 40 0 GHABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)Nc1ccccc1 ZINC000001346302 570572197 /nfs/dbraw/zinc/57/21/97/570572197.db2.gz VITRKBOQKGQWEM-UHFFFAOYSA-N 1 2 375.457 3.855 40 0 GHABLO O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000012198541 570624186 /nfs/dbraw/zinc/62/41/86/570624186.db2.gz YOJHKAFEYOSZTO-UHFFFAOYSA-N 1 2 399.516 3.605 40 0 GHABLO COc1ccccc1CN(CCCn1cc[nH+]c1)Cc1nc2ccccc2[nH]1 ZINC000043277817 570627080 /nfs/dbraw/zinc/62/70/80/570627080.db2.gz OIDYRAQHXWAUME-UHFFFAOYSA-N 1 2 375.476 3.861 40 0 GHABLO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[N@@H+]1CCO[C@H](c3ccc(F)cc3)C1)=CC2 ZINC000048234774 570656668 /nfs/dbraw/zinc/65/66/68/570656668.db2.gz HCTQBABQZRDQQK-FKVLARQCSA-N 1 2 389.511 3.569 40 0 GHABLO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[N@H+]1CCO[C@H](c3ccc(F)cc3)C1)=CC2 ZINC000048234774 570656670 /nfs/dbraw/zinc/65/66/70/570656670.db2.gz HCTQBABQZRDQQK-FKVLARQCSA-N 1 2 389.511 3.569 40 0 GHABLO O=S1(=O)CC[C@H]([NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000055155586 570685185 /nfs/dbraw/zinc/68/51/85/570685185.db2.gz QTUDEVQBSLVVEC-QFIPXVFZSA-N 1 2 377.509 3.755 40 0 GHABLO COc1cccc(C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)c1OC ZINC000057810957 570703709 /nfs/dbraw/zinc/70/37/09/570703709.db2.gz ILTPSJNNHWXQIT-SFHVURJKSA-N 1 2 387.524 3.906 40 0 GHABLO COc1cccc(C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)c1OC ZINC000057810957 570703712 /nfs/dbraw/zinc/70/37/12/570703712.db2.gz ILTPSJNNHWXQIT-SFHVURJKSA-N 1 2 387.524 3.906 40 0 GHABLO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1OC ZINC000199427049 1031698028 /nfs/dbraw/zinc/69/80/28/1031698028.db2.gz DPZGREKQMWWFTH-IBGZPJMESA-N 1 2 382.504 3.545 40 0 GHABLO COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1OC ZINC000199427049 1031698039 /nfs/dbraw/zinc/69/80/39/1031698039.db2.gz DPZGREKQMWWFTH-IBGZPJMESA-N 1 2 382.504 3.545 40 0 GHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000012116353 206857365 /nfs/dbraw/zinc/85/73/65/206857365.db2.gz OZMCEPVPFRDQMO-UHFFFAOYSA-N 1 2 376.504 3.539 40 0 GHABLO Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000019117684 207102642 /nfs/dbraw/zinc/10/26/42/207102642.db2.gz NXAHJCSUBYJXLF-MRXNPFEDSA-N 1 2 381.505 3.506 40 0 GHABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1 ZINC000019453615 207123922 /nfs/dbraw/zinc/12/39/22/207123922.db2.gz UXYLUJDMZLQZSJ-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1 ZINC000019453615 207123928 /nfs/dbraw/zinc/12/39/28/207123928.db2.gz UXYLUJDMZLQZSJ-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000019659250 207145348 /nfs/dbraw/zinc/14/53/48/207145348.db2.gz DVFSZKOFQBXLRA-UHFFFAOYSA-N 1 2 382.508 3.789 40 0 GHABLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000020493025 207199434 /nfs/dbraw/zinc/19/94/34/207199434.db2.gz RWHSJUSNKZUSGT-HSRJRILOSA-N 1 2 378.516 3.928 40 0 GHABLO CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(CC)nn2c1/C=C/[NH+](C)C ZINC000022607517 207256575 /nfs/dbraw/zinc/25/65/75/207256575.db2.gz UXVFNPMFGYPBSI-ZHACJKMWSA-N 1 2 399.882 3.716 40 0 GHABLO O=C(C[NH+]1CCC(c2cccc(Br)n2)CC1)Nc1ccccc1F ZINC000072360859 208002350 /nfs/dbraw/zinc/00/23/50/208002350.db2.gz CWJMYRQUVPLIKT-UHFFFAOYSA-N 1 2 392.272 3.801 40 0 GHABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072378012 208008887 /nfs/dbraw/zinc/00/88/87/208008887.db2.gz UCBMRTOXMBVHHE-GOSISDBHSA-N 1 2 394.504 3.972 40 0 GHABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072378012 208008890 /nfs/dbraw/zinc/00/88/90/208008890.db2.gz UCBMRTOXMBVHHE-GOSISDBHSA-N 1 2 394.504 3.972 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379026 208011883 /nfs/dbraw/zinc/01/18/83/208011883.db2.gz YCANDRCYYHALCB-GOSISDBHSA-N 1 2 390.487 3.615 40 0 GHABLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075746 208260953 /nfs/dbraw/zinc/26/09/53/208260953.db2.gz KNVNPAUFSTVXNR-UZUQRXQVSA-N 1 2 390.487 3.686 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306130515 209098703 /nfs/dbraw/zinc/09/87/03/209098703.db2.gz JIRQWDKOHBENSE-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306130515 209098707 /nfs/dbraw/zinc/09/87/07/209098707.db2.gz JIRQWDKOHBENSE-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=C(c1ccco1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000306127828 209100008 /nfs/dbraw/zinc/10/00/08/209100008.db2.gz GIQVFTANEHVFRQ-HXUWFJFHSA-N 1 2 384.439 3.707 40 0 GHABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306125596 209097149 /nfs/dbraw/zinc/09/71/49/209097149.db2.gz CVDBWDCLTSSRCD-OAQYLSRUSA-N 1 2 390.443 3.571 40 0 GHABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306125596 209097150 /nfs/dbraw/zinc/09/71/50/209097150.db2.gz CVDBWDCLTSSRCD-OAQYLSRUSA-N 1 2 390.443 3.571 40 0 GHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000224355946 136206871 /nfs/dbraw/zinc/20/68/71/136206871.db2.gz CBFRZIQMHJYZQG-UHFFFAOYSA-N 1 2 393.413 3.804 40 0 GHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257318320 209074960 /nfs/dbraw/zinc/07/49/60/209074960.db2.gz VNJXJHRVVZBENY-HXUWFJFHSA-N 1 2 391.475 3.506 40 0 GHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257318320 209074963 /nfs/dbraw/zinc/07/49/63/209074963.db2.gz VNJXJHRVVZBENY-HXUWFJFHSA-N 1 2 391.475 3.506 40 0 GHABLO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@H+](Cc4ccccc4F)CCO3)nc2)n1 ZINC000257342227 209078399 /nfs/dbraw/zinc/07/83/99/209078399.db2.gz ZNQMDPLBHZGDHC-OAQYLSRUSA-N 1 2 393.466 3.945 40 0 GHABLO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@@H+](Cc4ccccc4F)CCO3)nc2)n1 ZINC000257342227 209078402 /nfs/dbraw/zinc/07/84/02/209078402.db2.gz ZNQMDPLBHZGDHC-OAQYLSRUSA-N 1 2 393.466 3.945 40 0 GHABLO COc1cc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)cc(OC)c1OC ZINC000226331472 536529617 /nfs/dbraw/zinc/52/96/17/536529617.db2.gz JTKGKACPDVFCIA-UHFFFAOYSA-N 1 2 399.491 3.846 40 0 GHABLO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2 ZINC000004848722 570412073 /nfs/dbraw/zinc/41/20/73/570412073.db2.gz SJULWNAGWWLPFW-UHFFFAOYSA-N 1 2 386.517 3.757 40 0 GHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+](CC)CC)cc2c1 ZINC000000893279 570512482 /nfs/dbraw/zinc/51/24/82/570512482.db2.gz BLJFNZSBZWMBPV-FQEVSTJZSA-N 1 2 394.523 3.623 40 0 GHABLO Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)[NH+]2CCCC2)cc1 ZINC000004230577 570624567 /nfs/dbraw/zinc/62/45/67/570624567.db2.gz CZJZCVQNVAPXQT-OAQYLSRUSA-N 1 2 388.450 3.594 40 0 GHABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1OC ZINC000053536280 570675067 /nfs/dbraw/zinc/67/50/67/570675067.db2.gz NXNRBPIRGLXTCF-KRWDZBQOSA-N 1 2 381.476 3.761 40 0 GHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1OC ZINC000053536280 570675069 /nfs/dbraw/zinc/67/50/69/570675069.db2.gz NXNRBPIRGLXTCF-KRWDZBQOSA-N 1 2 381.476 3.761 40 0 GHABLO COc1ccc(-c2nnc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)s2)cc1 ZINC000154385578 570684766 /nfs/dbraw/zinc/68/47/66/570684766.db2.gz TVDYHWDSMSTQSE-UHFFFAOYSA-N 1 2 391.456 3.711 40 0 GHABLO CCNC(=O)Nc1sc2c(c1C(=O)OCC)CC[N@@H+](Cc1ccccc1)C2 ZINC000014162668 570878553 /nfs/dbraw/zinc/87/85/53/570878553.db2.gz MYASUGXZFOFSRL-UHFFFAOYSA-N 1 2 387.505 3.625 40 0 GHABLO CCNC(=O)Nc1sc2c(c1C(=O)OCC)CC[N@H+](Cc1ccccc1)C2 ZINC000014162668 570878557 /nfs/dbraw/zinc/87/85/57/570878557.db2.gz MYASUGXZFOFSRL-UHFFFAOYSA-N 1 2 387.505 3.625 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328955959 571046868 /nfs/dbraw/zinc/04/68/68/571046868.db2.gz AFGHNBSTPBGHMH-INIZCTEOSA-N 1 2 380.414 3.967 40 0 GHABLO CC[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008477704 856406831 /nfs/dbraw/zinc/40/68/31/856406831.db2.gz VYQFNJVDAVTMSS-MAIVGLDJSA-N 1 2 382.479 3.841 40 0 GHABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703763 207150784 /nfs/dbraw/zinc/15/07/84/207150784.db2.gz WNRAHFANEZEJQO-HXUWFJFHSA-N 1 2 395.482 3.944 40 0 GHABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703763 207150787 /nfs/dbraw/zinc/15/07/87/207150787.db2.gz WNRAHFANEZEJQO-HXUWFJFHSA-N 1 2 395.482 3.944 40 0 GHABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020493626 207198536 /nfs/dbraw/zinc/19/85/36/207198536.db2.gz AOTBZGWCXKEZBH-MECCDNJOSA-N 1 2 382.479 3.841 40 0 GHABLO O=C(NCCSc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020495430 207198902 /nfs/dbraw/zinc/19/89/02/207198902.db2.gz AXZYWVWLJXFMNT-UHFFFAOYSA-N 1 2 390.936 3.694 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)CCc2ccccc2)cc[nH+]1 ZINC000072357484 208000107 /nfs/dbraw/zinc/00/01/07/208000107.db2.gz IODOPVXVEFLGQE-IBGZPJMESA-N 1 2 375.476 3.740 40 0 GHABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3C)c2)C1 ZINC000257214708 209057960 /nfs/dbraw/zinc/05/79/60/209057960.db2.gz CNDYNWALTHQNJY-IBGZPJMESA-N 1 2 375.476 3.728 40 0 GHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257220289 209057995 /nfs/dbraw/zinc/05/79/95/209057995.db2.gz DKHBKOUHDXOKEL-NRFANRHFSA-N 1 2 382.895 3.633 40 0 GHABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257220289 209057997 /nfs/dbraw/zinc/05/79/97/209057997.db2.gz DKHBKOUHDXOKEL-NRFANRHFSA-N 1 2 382.895 3.633 40 0 GHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 ZINC000257248487 209059182 /nfs/dbraw/zinc/05/91/82/209059182.db2.gz JDVYZFLWMUUXEC-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 ZINC000257248487 209059184 /nfs/dbraw/zinc/05/91/84/209059184.db2.gz JDVYZFLWMUUXEC-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1cc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)n(C)c2cc1C ZINC000013564240 136201211 /nfs/dbraw/zinc/20/12/11/136201211.db2.gz VLEXCOWBYDUZMA-JOCHJYFZSA-N 1 2 391.515 3.729 40 0 GHABLO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219861236 136204356 /nfs/dbraw/zinc/20/43/56/136204356.db2.gz KKQMFKZBRUTWCE-SFHVURJKSA-N 1 2 382.504 3.804 40 0 GHABLO CC(C)c1cc2c(ncnc2N2CCN(C3=[NH+]CC(C)(C)S3)CC2)s1 ZINC000095641929 535370186 /nfs/dbraw/zinc/37/01/86/535370186.db2.gz FUGQNAUKABUDQI-UHFFFAOYSA-N 1 2 375.567 3.818 40 0 in-vitro GHABLO c1c[nH+]c(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)[nH]1 ZINC000035425540 560080758 /nfs/dbraw/zinc/08/07/58/560080758.db2.gz VBDBEZVYIJRRGZ-KRWDZBQOSA-N 1 2 394.479 3.903 40 0 biogenic,in-vitro GHABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000035424977 560080897 /nfs/dbraw/zinc/08/08/97/560080897.db2.gz MCCVQOSIGQEQAH-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000035424977 560080898 /nfs/dbraw/zinc/08/08/98/560080898.db2.gz MCCVQOSIGQEQAH-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889214 570511386 /nfs/dbraw/zinc/51/13/86/570511386.db2.gz FHAGOLSVFTUOFJ-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO O=S(=O)(NCCCCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000006133780 570738721 /nfs/dbraw/zinc/73/87/21/570738721.db2.gz SLKVWJDLYNYUJE-UHFFFAOYSA-N 1 2 377.897 3.908 40 0 GHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257226489 570764194 /nfs/dbraw/zinc/76/41/94/570764194.db2.gz FKUDTMXCKPHJFY-FQEVSTJZSA-N 1 2 391.475 3.506 40 0 GHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257226489 570764196 /nfs/dbraw/zinc/76/41/96/570764196.db2.gz FKUDTMXCKPHJFY-FQEVSTJZSA-N 1 2 391.475 3.506 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000013634295 570862181 /nfs/dbraw/zinc/86/21/81/570862181.db2.gz NEWMBJMYBZSPLP-UHFFFAOYSA-N 1 2 395.532 3.584 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353084 570881505 /nfs/dbraw/zinc/88/15/05/570881505.db2.gz PIKLVPRCERKVGT-IBGZPJMESA-N 1 2 376.464 3.548 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328994399 206239460 /nfs/dbraw/zinc/23/94/60/206239460.db2.gz JCZZIQBVLXUZJY-GFCCVEGCSA-N 1 2 389.286 3.831 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328995059 206239581 /nfs/dbraw/zinc/23/95/81/206239581.db2.gz JFQZMMSGMHJWDI-NRFANRHFSA-N 1 2 376.504 3.649 40 0 GHABLO CCOc1cc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc(Br)c1OCC ZINC000015017096 207041463 /nfs/dbraw/zinc/04/14/63/207041463.db2.gz SRRLCDSSAPFINT-XBNGYDHASA-N 1 2 382.298 3.674 40 0 GHABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccc1Cl ZINC000018165355 207094340 /nfs/dbraw/zinc/09/43/40/207094340.db2.gz LWCFJWKPONQRMQ-UHFFFAOYSA-N 1 2 375.925 3.659 40 0 GHABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2cc4ccccc4o2)C3)CC1 ZINC000019016870 207100054 /nfs/dbraw/zinc/10/00/54/207100054.db2.gz DTYPEJGYKXZCEL-UHFFFAOYSA-N 1 2 390.487 3.507 40 0 GHABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2cc4ccccc4o2)C3)CC1 ZINC000019016870 207100058 /nfs/dbraw/zinc/10/00/58/207100058.db2.gz DTYPEJGYKXZCEL-UHFFFAOYSA-N 1 2 390.487 3.507 40 0 GHABLO CCn1ncc(-c2csc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)n2)c1C ZINC000019524069 207128260 /nfs/dbraw/zinc/12/82/60/207128260.db2.gz ZEMZTUKFMBJOKC-HNNXBMFYSA-N 1 2 396.520 3.585 40 0 GHABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000019453709 207123029 /nfs/dbraw/zinc/12/30/29/207123029.db2.gz PANAJHOUUYOGED-UHFFFAOYSA-N 1 2 386.927 3.648 40 0 GHABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000019453709 207123033 /nfs/dbraw/zinc/12/30/33/207123033.db2.gz PANAJHOUUYOGED-UHFFFAOYSA-N 1 2 386.927 3.648 40 0 GHABLO Cc1[nH]c2ccc(CCC(=O)NCC3(c4ccccc4F)CCOCC3)cc2[nH+]1 ZINC000019576763 207138476 /nfs/dbraw/zinc/13/84/76/207138476.db2.gz JFFBIYQVMWBGEZ-UHFFFAOYSA-N 1 2 395.478 3.808 40 0 GHABLO Cc1[nH]c2cc(CCC(=O)NCC3(c4ccccc4F)CCOCC3)ccc2[nH+]1 ZINC000019576763 207138481 /nfs/dbraw/zinc/13/84/81/207138481.db2.gz JFFBIYQVMWBGEZ-UHFFFAOYSA-N 1 2 395.478 3.808 40 0 GHABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CC1(c2cccc(C)c2)CCOCC1 ZINC000019719691 207155422 /nfs/dbraw/zinc/15/54/22/207155422.db2.gz UIUZHBLODSPNJN-UHFFFAOYSA-N 1 2 394.475 3.507 40 0 GHABLO CCOC(=O)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000021673333 207234890 /nfs/dbraw/zinc/23/48/90/207234890.db2.gz OKBFLDRJCQKBMB-NRFANRHFSA-N 1 2 378.476 3.735 40 0 GHABLO Cc1nc2ccccc2nc1CN1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000022942638 207266610 /nfs/dbraw/zinc/26/66/10/207266610.db2.gz VFJKIDWZVNQTIR-UHFFFAOYSA-N 1 2 398.514 3.508 40 0 GHABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)c1 ZINC000049155496 208452122 /nfs/dbraw/zinc/45/21/22/208452122.db2.gz KKUNYSWEGPTEAC-FQEVSTJZSA-N 1 2 384.443 3.926 40 0 biogenic,in-vitro GHABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)c1 ZINC000049155496 208452126 /nfs/dbraw/zinc/45/21/26/208452126.db2.gz KKUNYSWEGPTEAC-FQEVSTJZSA-N 1 2 384.443 3.926 40 0 biogenic,in-vitro GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306137116 209104537 /nfs/dbraw/zinc/10/45/37/209104537.db2.gz QLYNBRQTCOZIBL-KNQAVFIVSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306137116 209104542 /nfs/dbraw/zinc/10/45/42/209104542.db2.gz QLYNBRQTCOZIBL-KNQAVFIVSA-N 1 2 394.471 3.643 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306131156 209101066 /nfs/dbraw/zinc/10/10/66/209101066.db2.gz JXWQUYHXOSDJJK-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306131156 209101076 /nfs/dbraw/zinc/10/10/76/209101076.db2.gz JXWQUYHXOSDJJK-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)C3CCC3)Cc3ccccc32)cs1 ZINC000306126755 209098170 /nfs/dbraw/zinc/09/81/70/209098170.db2.gz FEMOUEVDKUQSBO-FQEVSTJZSA-N 1 2 392.528 3.971 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 ZINC000257309996 209072721 /nfs/dbraw/zinc/07/27/21/209072721.db2.gz UDGSIWUTDPSJHD-LJQANCHMSA-N 1 2 381.505 3.867 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 ZINC000257309996 209072724 /nfs/dbraw/zinc/07/27/24/209072724.db2.gz UDGSIWUTDPSJHD-LJQANCHMSA-N 1 2 381.505 3.867 40 0 GHABLO Cc1ncc(CN2CCO[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)s1 ZINC000257309996 209072728 /nfs/dbraw/zinc/07/27/28/209072728.db2.gz UDGSIWUTDPSJHD-LJQANCHMSA-N 1 2 381.505 3.867 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 ZINC000257324202 209075911 /nfs/dbraw/zinc/07/59/11/209075911.db2.gz WNRBTDNJQLIRSN-HSZRJFAPSA-N 1 2 376.504 3.771 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 ZINC000257324202 209075914 /nfs/dbraw/zinc/07/59/14/209075914.db2.gz WNRBTDNJQLIRSN-HSZRJFAPSA-N 1 2 376.504 3.771 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408571826 534458370 /nfs/dbraw/zinc/45/83/70/534458370.db2.gz CROLPPHPRXAWCO-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216253 570317542 /nfs/dbraw/zinc/31/75/42/570317542.db2.gz PPMPYHMXYNXSNU-FQEVSTJZSA-N 1 2 381.476 3.782 40 0 GHABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222615 570318548 /nfs/dbraw/zinc/31/85/48/570318548.db2.gz NVULQDFMFRRODZ-LJQANCHMSA-N 1 2 383.492 3.529 40 0 GHABLO CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222750341 570424027 /nfs/dbraw/zinc/42/40/27/570424027.db2.gz YAGYORZVFHMVIW-VQTJNVASSA-N 1 2 377.517 3.541 40 0 GHABLO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000223414005 570464677 /nfs/dbraw/zinc/46/46/77/570464677.db2.gz ILSVWEWDMLMGKI-UHFFFAOYSA-N 1 2 396.531 3.625 40 0 GHABLO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000223615961 570474531 /nfs/dbraw/zinc/47/45/31/570474531.db2.gz VAWSVLDORDDCQA-UHFFFAOYSA-N 1 2 387.443 3.562 40 0 GHABLO CCCn1c2ccccc2[nH+]c1N1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000001370945 570581013 /nfs/dbraw/zinc/58/10/13/570581013.db2.gz HHRAHQITYVRHQE-UHFFFAOYSA-N 1 2 380.467 3.590 40 0 GHABLO COc1ccc(-c2nc(N(C)CCc3ccccn3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221357 570627972 /nfs/dbraw/zinc/62/79/72/570627972.db2.gz GMJPYSZLAYKFRB-UHFFFAOYSA-N 1 2 386.459 3.616 40 0 GHABLO Cc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000031852027 570641563 /nfs/dbraw/zinc/64/15/63/570641563.db2.gz ZSFVBRAWTMVMMX-QGZVFWFLSA-N 1 2 398.528 3.549 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261363391 570788746 /nfs/dbraw/zinc/78/87/46/570788746.db2.gz HCTBSNYFQMXLCN-INIZCTEOSA-O 1 2 387.872 3.580 40 0 GHABLO COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000020242027 570905197 /nfs/dbraw/zinc/90/51/97/570905197.db2.gz QNNSGBMBJYUZPV-UHFFFAOYSA-N 1 2 390.530 3.562 40 0 GHABLO COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000020242027 570905201 /nfs/dbraw/zinc/90/52/01/570905201.db2.gz QNNSGBMBJYUZPV-UHFFFAOYSA-N 1 2 390.530 3.562 40 0 GHABLO O=C(N1CC[NH+](C/C=C/c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000192492904 570931166 /nfs/dbraw/zinc/93/11/66/570931166.db2.gz FXTQOHWJEJIWCC-JXMROGBWSA-N 1 2 390.527 3.592 40 0 GHABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)CC2CCCCC2)CC3)cc1 ZINC000585111386 570941480 /nfs/dbraw/zinc/94/14/80/570941480.db2.gz RRKNCIUAFQRIKW-UHFFFAOYSA-N 1 2 394.519 3.864 40 0 GHABLO O=C(NC1CCCCC1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707175 291134154 /nfs/dbraw/zinc/13/41/54/291134154.db2.gz OIYJBECTFSSSOH-SFHVURJKSA-N 1 2 392.463 3.601 40 0 biogenic,in-vitro GHABLO O=C(NC1CCCCC1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707175 291134155 /nfs/dbraw/zinc/13/41/55/291134155.db2.gz OIYJBECTFSSSOH-SFHVURJKSA-N 1 2 392.463 3.601 40 0 biogenic,in-vitro GHABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329064704 206244412 /nfs/dbraw/zinc/24/44/12/206244412.db2.gz XMGKNJIJYZMVTI-HNNXBMFYSA-N 1 2 382.895 3.794 40 0 GHABLO COc1ccccc1C[N@@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306140752 209105839 /nfs/dbraw/zinc/10/58/39/209105839.db2.gz VDDYUMUYIOPAIU-SIKLNZKXSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccccc1C[N@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306140752 209105842 /nfs/dbraw/zinc/10/58/42/209105842.db2.gz VDDYUMUYIOPAIU-SIKLNZKXSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccccc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccoc3)ccc1S2(=O)=O ZINC000306140751 209105765 /nfs/dbraw/zinc/10/57/65/209105765.db2.gz VDDYUMUYIOPAIU-KNQAVFIVSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccoc3)ccc1S2(=O)=O ZINC000306140751 209105767 /nfs/dbraw/zinc/10/57/67/209105767.db2.gz VDDYUMUYIOPAIU-KNQAVFIVSA-N 1 2 395.480 3.711 40 0 GHABLO c1cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)n(C2CCCCC2)c1 ZINC000019338657 207116476 /nfs/dbraw/zinc/11/64/76/207116476.db2.gz BZKBZDBMZCARDO-UHFFFAOYSA-N 1 2 382.552 3.723 40 0 GHABLO c1cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)n(C2CCCCC2)c1 ZINC000019338657 207116479 /nfs/dbraw/zinc/11/64/79/207116479.db2.gz BZKBZDBMZCARDO-UHFFFAOYSA-N 1 2 382.552 3.723 40 0 GHABLO c1cc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)n(C2CCCCC2)c1 ZINC000019338657 207116484 /nfs/dbraw/zinc/11/64/84/207116484.db2.gz BZKBZDBMZCARDO-UHFFFAOYSA-N 1 2 382.552 3.723 40 0 GHABLO COCCC[N@H+](Cc1nc(-c2cccnc2Cl)no1)[C@H](C)c1ccccn1 ZINC000019459538 207123273 /nfs/dbraw/zinc/12/32/73/207123273.db2.gz RQLJQBHVUNZWLC-CQSZACIVSA-N 1 2 387.871 3.780 40 0 GHABLO COCCC[N@@H+](Cc1nc(-c2cccnc2Cl)no1)[C@H](C)c1ccccn1 ZINC000019459538 207123278 /nfs/dbraw/zinc/12/32/78/207123278.db2.gz RQLJQBHVUNZWLC-CQSZACIVSA-N 1 2 387.871 3.780 40 0 GHABLO Cc1ncsc1C(=O)N1CCC(c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)CC1 ZINC000019692201 207148682 /nfs/dbraw/zinc/14/86/82/207148682.db2.gz LEVUBJCCPLIROB-UHFFFAOYSA-N 1 2 393.516 3.819 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378922 208012085 /nfs/dbraw/zinc/01/20/85/208012085.db2.gz ZVBYMUDBLQTWGZ-GOSISDBHSA-N 1 2 392.478 3.918 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378856 208012263 /nfs/dbraw/zinc/01/22/63/208012263.db2.gz SXAHWHVYLPQJGQ-KRWDZBQOSA-N 1 2 378.451 3.989 40 0 GHABLO COc1cccc(-c2c[nH+]c3n2CCC32CCN(C(=O)c3ccncc3)CC2)c1 ZINC000096263418 208297131 /nfs/dbraw/zinc/29/71/31/208297131.db2.gz DBCWJLGQVYIYID-UHFFFAOYSA-N 1 2 388.471 3.531 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306131155 209100953 /nfs/dbraw/zinc/10/09/53/209100953.db2.gz JXWQUYHXOSDJJK-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306131155 209100957 /nfs/dbraw/zinc/10/09/57/209100957.db2.gz JXWQUYHXOSDJJK-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@H]3F)nc2c1 ZINC000096112236 209009171 /nfs/dbraw/zinc/00/91/71/209009171.db2.gz MVXXCNPMCHADFK-UTKZUKDTSA-N 1 2 394.425 3.989 40 0 biogenic,in-vitro GHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3F)nc2c1 ZINC000096112236 209009176 /nfs/dbraw/zinc/00/91/76/209009176.db2.gz MVXXCNPMCHADFK-UTKZUKDTSA-N 1 2 394.425 3.989 40 0 biogenic,in-vitro GHABLO O=C1N(C2CCCCC2)C[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCN12 ZINC000096269140 209012961 /nfs/dbraw/zinc/01/29/61/209012961.db2.gz SFXRSTCGBGPHDZ-QGZVFWFLSA-N 1 2 397.441 3.840 40 0 biogenic,in-vitro GHABLO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCN12 ZINC000096269140 209012966 /nfs/dbraw/zinc/01/29/66/209012966.db2.gz SFXRSTCGBGPHDZ-QGZVFWFLSA-N 1 2 397.441 3.840 40 0 biogenic,in-vitro GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000257253396 209060565 /nfs/dbraw/zinc/06/05/65/209060565.db2.gz JYTOHCQXBAIPGO-QHCPKHFHSA-N 1 2 394.494 3.735 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000257253396 209060572 /nfs/dbraw/zinc/06/05/72/209060572.db2.gz JYTOHCQXBAIPGO-QHCPKHFHSA-N 1 2 394.494 3.735 40 0 GHABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257259532 209061114 /nfs/dbraw/zinc/06/11/14/209061114.db2.gz KYTXIHHIILNWIZ-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257259532 209061119 /nfs/dbraw/zinc/06/11/19/209061119.db2.gz KYTXIHHIILNWIZ-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)cc[nH+]1 ZINC000257293150 209068473 /nfs/dbraw/zinc/06/84/73/209068473.db2.gz QOIUMXDBVRECNI-HXUWFJFHSA-N 1 2 397.494 3.965 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 ZINC000072348901 222234375 /nfs/dbraw/zinc/23/43/75/222234375.db2.gz VTTYDTPLGOXPCT-SFHVURJKSA-N 1 2 392.528 3.947 40 0 GHABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 ZINC000072348901 222234379 /nfs/dbraw/zinc/23/43/79/222234379.db2.gz VTTYDTPLGOXPCT-SFHVURJKSA-N 1 2 392.528 3.947 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329063374 528482715 /nfs/dbraw/zinc/48/27/15/528482715.db2.gz XDOXUQPRMQTWNN-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO COc1ccccc1N1CCN(C(=O)C2CC[NH+](c3ccc(C)cc3)CC2)CC1 ZINC000219850887 537063481 /nfs/dbraw/zinc/06/34/81/537063481.db2.gz MVHUDNSJYZDMLR-UHFFFAOYSA-N 1 2 393.531 3.569 40 0 GHABLO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219335 570318168 /nfs/dbraw/zinc/31/81/68/570318168.db2.gz JJNYMPGYVPFHTF-FQEVSTJZSA-N 1 2 381.476 3.700 40 0 GHABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224702 570318487 /nfs/dbraw/zinc/31/84/87/570318487.db2.gz NPAATUXYYCMXIC-HXUWFJFHSA-N 1 2 383.492 3.529 40 0 GHABLO COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000224977587 570541567 /nfs/dbraw/zinc/54/15/67/570541567.db2.gz JPIBNJRODXFKOM-UHFFFAOYSA-N 1 2 388.489 3.573 40 0 GHABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2cccc(F)c2)CC1 ZINC000012113078 570609021 /nfs/dbraw/zinc/60/90/21/570609021.db2.gz XCGMJOZBIXFPIR-UHFFFAOYSA-N 1 2 384.451 3.758 40 0 GHABLO C[C@@H](CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1ccccc1 ZINC000012116354 570610995 /nfs/dbraw/zinc/61/09/95/570610995.db2.gz AFQPWKVSGWUZPF-KRWDZBQOSA-N 1 2 376.504 3.710 40 0 GHABLO COc1ccc([C@@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000004847679 570634158 /nfs/dbraw/zinc/63/41/58/570634158.db2.gz OQZPATWJWGFKTJ-QFIPXVFZSA-N 1 2 391.519 3.746 40 0 GHABLO COc1cccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000033684968 570646194 /nfs/dbraw/zinc/64/61/94/570646194.db2.gz XEFGXOBSBXOELZ-DCGLDWPTSA-N 1 2 386.521 3.881 40 0 GHABLO COc1ccc(Nc2cc(N)[nH+]c(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 ZINC000049468228 570663827 /nfs/dbraw/zinc/66/38/27/570663827.db2.gz IOWOOAVKQJDSTJ-UHFFFAOYSA-N 1 2 382.420 3.504 40 0 GHABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1OC ZINC000053536285 570675008 /nfs/dbraw/zinc/67/50/08/570675008.db2.gz NXNRBPIRGLXTCF-QGZVFWFLSA-N 1 2 381.476 3.761 40 0 GHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1OC ZINC000053536285 570675010 /nfs/dbraw/zinc/67/50/10/570675010.db2.gz NXNRBPIRGLXTCF-QGZVFWFLSA-N 1 2 381.476 3.761 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000008674179 570681418 /nfs/dbraw/zinc/68/14/18/570681418.db2.gz YTYCIFFWHVOSCH-IBGZPJMESA-N 1 2 394.523 3.874 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 ZINC000257234364 570765880 /nfs/dbraw/zinc/76/58/80/570765880.db2.gz GTFKMBNNSMPYAQ-QHCPKHFHSA-N 1 2 392.503 3.856 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 ZINC000257234364 570765884 /nfs/dbraw/zinc/76/58/84/570765884.db2.gz GTFKMBNNSMPYAQ-QHCPKHFHSA-N 1 2 392.503 3.856 40 0 GHABLO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@H+](Cc4ccc(F)cc4)CCO3)n2)cc1 ZINC000257239270 570767401 /nfs/dbraw/zinc/76/74/01/570767401.db2.gz HOQCXCBCYGVTHS-QFIPXVFZSA-N 1 2 391.446 3.560 40 0 GHABLO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccc(F)cc4)CCO3)n2)cc1 ZINC000257239270 570767403 /nfs/dbraw/zinc/76/74/03/570767403.db2.gz HOQCXCBCYGVTHS-QFIPXVFZSA-N 1 2 391.446 3.560 40 0 GHABLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000017366622 570919976 /nfs/dbraw/zinc/91/99/76/570919976.db2.gz GMUORDIOZXSQOL-UHFFFAOYSA-N 1 2 375.394 3.976 40 0 GHABLO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[N@@H+]1CCO[C@@H](c3ccc(F)cc3)C1)=CC2 ZINC000195528969 570947185 /nfs/dbraw/zinc/94/71/85/570947185.db2.gz HCTQBABQZRDQQK-FVTFTPSCSA-N 1 2 389.511 3.569 40 0 GHABLO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[N@H+]1CCO[C@@H](c3ccc(F)cc3)C1)=CC2 ZINC000195528969 570947190 /nfs/dbraw/zinc/94/71/90/570947190.db2.gz HCTQBABQZRDQQK-FVTFTPSCSA-N 1 2 389.511 3.569 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000019524387 210257022 /nfs/dbraw/zinc/25/70/22/210257022.db2.gz GULJUBXBNJNUQT-UHFFFAOYSA-N 1 2 392.459 3.640 40 0 GHABLO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](COc3cccc(C)c3)C2)c1C ZINC000019523856 210255990 /nfs/dbraw/zinc/25/59/90/210255990.db2.gz BHONTIMCZSMDGR-IBGZPJMESA-N 1 2 384.524 3.558 40 0 GHABLO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](COc3cccc(C)c3)C2)c1C ZINC000019523856 210255994 /nfs/dbraw/zinc/25/59/94/210255994.db2.gz BHONTIMCZSMDGR-IBGZPJMESA-N 1 2 384.524 3.558 40 0 GHABLO Cc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)[NH+]=C3N=CNN32)s1 ZINC000408628316 231087708 /nfs/dbraw/zinc/08/77/08/231087708.db2.gz WRAYZEZDZNMBDW-INIZCTEOSA-N 1 2 385.880 3.882 40 0 GHABLO Cc1ccnc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000035315258 209633395 /nfs/dbraw/zinc/63/33/95/209633395.db2.gz KODPRPXXFWAENA-UHFFFAOYSA-N 1 2 380.442 3.975 40 0 GHABLO O=C(c1ccoc1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306140660 212052492 /nfs/dbraw/zinc/05/24/92/212052492.db2.gz UZXAZMPDAKRLAM-NRFANRHFSA-N 1 2 384.439 3.707 40 0 GHABLO Cc1nc(C(=O)N2CC[C@@]3(Cc4[nH+]cc(-c5ccc(C)cc5)n4C3)C2)cs1 ZINC000306127976 212047066 /nfs/dbraw/zinc/04/70/66/212047066.db2.gz GMRXQOBRNCUVKI-OAQYLSRUSA-N 1 2 378.501 3.712 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306133150 212048959 /nfs/dbraw/zinc/04/89/59/212048959.db2.gz MDPNJICQZZZHTG-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306133150 212048961 /nfs/dbraw/zinc/04/89/61/212048961.db2.gz MDPNJICQZZZHTG-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccoc5)CCN4C)nnn3c2)cc1 ZINC000306130044 212047940 /nfs/dbraw/zinc/04/79/40/212047940.db2.gz IUXRICGMQZKUGX-JOCHJYFZSA-N 1 2 387.487 3.786 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccoc5)CCN4C)nnn3c2)cc1 ZINC000306130044 212047945 /nfs/dbraw/zinc/04/79/45/212047945.db2.gz IUXRICGMQZKUGX-JOCHJYFZSA-N 1 2 387.487 3.786 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(c3ncccn3)Cc3ccccc32)cs1 ZINC000306123965 212044415 /nfs/dbraw/zinc/04/44/15/212044415.db2.gz BBQCWFQUTGURGB-IBGZPJMESA-N 1 2 388.500 3.638 40 0 GHABLO CN1CC[N@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306124845 212045214 /nfs/dbraw/zinc/04/52/14/212045214.db2.gz CATDSYPIDBTXFA-NRFANRHFSA-N 1 2 391.450 3.617 40 0 GHABLO CN1CC[N@@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306124845 212045216 /nfs/dbraw/zinc/04/52/16/212045216.db2.gz CATDSYPIDBTXFA-NRFANRHFSA-N 1 2 391.450 3.617 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306124542 212044797 /nfs/dbraw/zinc/04/47/97/212044797.db2.gz BTIRPXYHHIPDBC-TZIWHRDSSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306124542 212044800 /nfs/dbraw/zinc/04/48/00/212044800.db2.gz BTIRPXYHHIPDBC-TZIWHRDSSA-N 1 2 396.537 3.874 40 0 GHABLO CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329063458 209159657 /nfs/dbraw/zinc/15/96/57/209159657.db2.gz XESBFCWIUANMAS-UHFFFAOYSA-N 1 2 387.203 3.764 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329061250 209159564 /nfs/dbraw/zinc/15/95/64/209159564.db2.gz WPQLWKHBBKHGMX-MRXNPFEDSA-N 1 2 396.413 3.847 40 0 GHABLO CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329045962 209158131 /nfs/dbraw/zinc/15/81/31/209158131.db2.gz TYNPVHGYDWVICF-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329004774 209155897 /nfs/dbraw/zinc/15/58/97/209155897.db2.gz KTHGMSHIRQHOEK-GFCCVEGCSA-N 1 2 389.286 3.831 40 0 GHABLO Cc1[nH+]c(-c2cc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266825 211327664 /nfs/dbraw/zinc/32/76/64/211327664.db2.gz FNNAHRMOYUCDLF-UHFFFAOYSA-N 1 2 385.471 3.791 40 0 GHABLO C[NH+]1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)CC1 ZINC000096147752 211309287 /nfs/dbraw/zinc/30/92/87/211309287.db2.gz KZGAMPPJMINOBQ-UHFFFAOYSA-N 1 2 388.427 3.537 40 0 GHABLO Cc1cccc(Nc2noc3c2CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC3)c1C ZINC000072397203 211112214 /nfs/dbraw/zinc/11/22/14/211112214.db2.gz CCKXCWYSJYJIQU-HNNXBMFYSA-N 1 2 379.464 3.768 40 0 GHABLO C=Cn1cc(C[N@@H+]2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c(C)n1 ZINC000072348332 211094914 /nfs/dbraw/zinc/09/49/14/211094914.db2.gz WKGQNFSKUGXXSI-UHFFFAOYSA-N 1 2 395.894 3.711 40 0 GHABLO C=Cn1cc(C[N@H+]2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c(C)n1 ZINC000072348332 211094911 /nfs/dbraw/zinc/09/49/11/211094911.db2.gz WKGQNFSKUGXXSI-UHFFFAOYSA-N 1 2 395.894 3.711 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 ZINC000072358597 211098752 /nfs/dbraw/zinc/09/87/52/211098752.db2.gz KJPAPYBUBKSJLD-OAHLLOKOSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 ZINC000072358597 211098756 /nfs/dbraw/zinc/09/87/56/211098756.db2.gz KJPAPYBUBKSJLD-OAHLLOKOSA-N 1 2 397.479 3.557 40 0 GHABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(CCOc3ccccc3F)n[nH]2)cn1 ZINC000019703757 210283727 /nfs/dbraw/zinc/28/37/27/210283727.db2.gz PHEOCRUSNGGWNF-HXUWFJFHSA-N 1 2 395.482 3.860 40 0 GHABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(CCOc3ccccc3F)n[nH]2)cn1 ZINC000019703757 210283730 /nfs/dbraw/zinc/28/37/30/210283730.db2.gz PHEOCRUSNGGWNF-HXUWFJFHSA-N 1 2 395.482 3.860 40 0 GHABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)C[N@H+]3C)n2)cc1 ZINC000012529745 560212763 /nfs/dbraw/zinc/21/27/63/560212763.db2.gz RBSIIGFFBKEJDI-ROUUACIJSA-N 1 2 395.438 3.751 40 0 biogenic,in-vitro GHABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)C[N@@H+]3C)n2)cc1 ZINC000012529745 560212765 /nfs/dbraw/zinc/21/27/65/560212765.db2.gz RBSIIGFFBKEJDI-ROUUACIJSA-N 1 2 395.438 3.751 40 0 biogenic,in-vitro GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000107249385 570308985 /nfs/dbraw/zinc/30/89/85/570308985.db2.gz BXCIPSYHFXRPMJ-QFBILLFUSA-N 1 2 375.299 3.879 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000107249385 570308987 /nfs/dbraw/zinc/30/89/87/570308987.db2.gz BXCIPSYHFXRPMJ-QFBILLFUSA-N 1 2 375.299 3.879 40 0 GHABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)c1ccccc1 ZINC000072224697 570318559 /nfs/dbraw/zinc/31/85/59/570318559.db2.gz NQLNLXGXAXBHCT-UHFFFAOYSA-N 1 2 381.476 3.678 40 0 GHABLO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000030350634 570488470 /nfs/dbraw/zinc/48/84/70/570488470.db2.gz VXQKHWGXBIDUGR-INIZCTEOSA-N 1 2 381.303 3.555 40 0 GHABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COC ZINC000224690937 570524984 /nfs/dbraw/zinc/52/49/84/570524984.db2.gz APSOANBIIDFPLD-JXMROGBWSA-N 1 2 394.515 3.703 40 0 GHABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000225221636 570557506 /nfs/dbraw/zinc/55/75/06/570557506.db2.gz POCYNPLSVHNUDT-UHFFFAOYSA-N 1 2 395.450 3.926 40 0 GHABLO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)o1 ZINC000012089657 570607286 /nfs/dbraw/zinc/60/72/86/570607286.db2.gz PRQIVVYQZNKFFA-JOCHJYFZSA-N 1 2 381.451 3.526 40 0 GHABLO COc1ccccc1C[N@@H+](Cc1coc2ccccc2c1=O)C[C@H]1CCCO1 ZINC000012187576 570621239 /nfs/dbraw/zinc/62/12/39/570621239.db2.gz OMVCFPYWQHIKKK-LJQANCHMSA-N 1 2 379.456 3.983 40 0 GHABLO COc1ccccc1C[N@H+](Cc1coc2ccccc2c1=O)C[C@H]1CCCO1 ZINC000012187576 570621244 /nfs/dbraw/zinc/62/12/44/570621244.db2.gz OMVCFPYWQHIKKK-LJQANCHMSA-N 1 2 379.456 3.983 40 0 GHABLO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044916547 570642973 /nfs/dbraw/zinc/64/29/73/570642973.db2.gz ZTXYWLBBJPKBSF-UHFFFAOYSA-N 1 2 396.531 3.669 40 0 GHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670790 570703169 /nfs/dbraw/zinc/70/31/69/570703169.db2.gz CSKMWIVQIJYYLG-OAQYLSRUSA-N 1 2 394.498 3.524 40 0 GHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccco1 ZINC000261363249 570788071 /nfs/dbraw/zinc/78/80/71/570788071.db2.gz GOEAIAMQDZHHBI-IBGZPJMESA-O 1 2 397.480 3.535 40 0 GHABLO CCOC(=O)N1CC[NH+]([C@@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000014608357 570894053 /nfs/dbraw/zinc/89/40/53/570894053.db2.gz OFXFYYKABUMVBB-INIZCTEOSA-N 1 2 379.460 3.597 40 0 GHABLO COc1ccc(Cn2nnnc2[C@@H](c2cccs2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020098528 570940953 /nfs/dbraw/zinc/94/09/53/570940953.db2.gz CBHBBKLIELWRQS-DNVCBOLYSA-N 1 2 383.521 3.613 40 0 GHABLO COc1ccc(Cn2nnnc2[C@@H](c2cccs2)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020098528 570940956 /nfs/dbraw/zinc/94/09/56/570940956.db2.gz CBHBBKLIELWRQS-DNVCBOLYSA-N 1 2 383.521 3.613 40 0 GHABLO CCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328957135 571046846 /nfs/dbraw/zinc/04/68/46/571046846.db2.gz AJGUOWYMFIAOAJ-UHFFFAOYSA-N 1 2 383.293 3.794 40 0 GHABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)ccc1OC ZINC000095534433 860614172 /nfs/dbraw/zinc/61/41/72/860614172.db2.gz FGTDJPKBURIWQY-MRXNPFEDSA-N 1 2 392.381 3.946 40 0 GHABLO Cc1nc(C(=O)N2CC[C@]3(Cc4[nH+]cc(-c5ccc(C)cc5)n4C3)C2)cs1 ZINC000306127975 212047998 /nfs/dbraw/zinc/04/79/98/212047998.db2.gz GMRXQOBRNCUVKI-NRFANRHFSA-N 1 2 378.501 3.712 40 0 GHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306125595 212045833 /nfs/dbraw/zinc/04/58/33/212045833.db2.gz CVDBWDCLTSSRCD-NRFANRHFSA-N 1 2 390.443 3.571 40 0 GHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306125595 212045836 /nfs/dbraw/zinc/04/58/36/212045836.db2.gz CVDBWDCLTSSRCD-NRFANRHFSA-N 1 2 390.443 3.571 40 0 GHABLO COc1ccccc1CCCNc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257257043 212012772 /nfs/dbraw/zinc/01/27/72/212012772.db2.gz KNWGLKIWTMWUNN-UHFFFAOYSA-N 1 2 394.523 3.810 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257239026 212008960 /nfs/dbraw/zinc/00/89/60/212008960.db2.gz HNOSUWXJEZDWIF-MRXNPFEDSA-N 1 2 384.867 3.522 40 0 GHABLO Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207710 212003791 /nfs/dbraw/zinc/00/37/91/212003791.db2.gz BIWZUKMCBZCILR-GOSISDBHSA-N 1 2 376.460 3.560 40 0 GHABLO Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207710 212003792 /nfs/dbraw/zinc/00/37/92/212003792.db2.gz BIWZUKMCBZCILR-GOSISDBHSA-N 1 2 376.460 3.560 40 0 GHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257205311 212003699 /nfs/dbraw/zinc/00/36/99/212003699.db2.gz AYLUVRGJJFEPPS-CYBMUJFWSA-N 1 2 386.546 3.834 40 0 GHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257205311 212003703 /nfs/dbraw/zinc/00/37/03/212003703.db2.gz AYLUVRGJJFEPPS-CYBMUJFWSA-N 1 2 386.546 3.834 40 0 GHABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000032611059 211941029 /nfs/dbraw/zinc/94/10/29/211941029.db2.gz SANPHYDWANUODP-UHFFFAOYSA-N 1 2 377.492 3.540 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329007695 209155243 /nfs/dbraw/zinc/15/52/43/209155243.db2.gz LNAWQHGKLADFKT-LBPRGKRZSA-N 1 2 389.286 3.831 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961042 209153668 /nfs/dbraw/zinc/15/36/68/209153668.db2.gz BAGVTNDLDSLJSM-ZDUSSCGKSA-N 1 2 388.393 3.543 40 0 GHABLO COc1ccccc1-c1ccc(C2(CNC(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000072391841 211109467 /nfs/dbraw/zinc/10/94/67/211109467.db2.gz ODGFRIBTWLPCEN-UHFFFAOYSA-N 1 2 375.472 3.797 40 0 GHABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378527 211106212 /nfs/dbraw/zinc/10/62/12/211106212.db2.gz JYSFASCCXSMSRD-IBGZPJMESA-N 1 2 375.476 3.521 40 0 GHABLO COc1ccc2cnc(C3CC[NH+](CC(=O)c4cncc(O)c4)CC3)cc2c1C ZINC000019582763 210270609 /nfs/dbraw/zinc/27/06/09/210270609.db2.gz RXZTZSJDSKBEBB-UHFFFAOYSA-N 1 2 391.471 3.715 40 0 GHABLO F[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112125 560060841 /nfs/dbraw/zinc/06/08/41/560060841.db2.gz OHGQEOSNNOUSCD-PBHICJAKSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO F[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112125 560060843 /nfs/dbraw/zinc/06/08/43/560060843.db2.gz OHGQEOSNNOUSCD-PBHICJAKSA-N 1 2 394.372 3.716 40 0 biogenic,in-vitro GHABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2cc1C ZINC000096112341 560060873 /nfs/dbraw/zinc/06/08/73/560060873.db2.gz SIUBGYMAHPSRMF-IERDGZPVSA-N 1 2 397.450 3.648 40 0 biogenic,in-vitro GHABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2cc1C ZINC000096112341 560060875 /nfs/dbraw/zinc/06/08/75/560060875.db2.gz SIUBGYMAHPSRMF-IERDGZPVSA-N 1 2 397.450 3.648 40 0 biogenic,in-vitro GHABLO Fc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015675518 560095708 /nfs/dbraw/zinc/09/57/08/560095708.db2.gz DPOHSTAAASXCFE-IBGZPJMESA-N 1 2 375.407 3.898 40 0 biogenic,in-vitro GHABLO CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21[NH2+]CCO1 ZINC000022362799 570343179 /nfs/dbraw/zinc/34/31/79/570343179.db2.gz VLKMYKHTGWTPPD-ZEQRLZLVSA-N 1 2 376.500 3.857 40 0 GHABLO CC(C)C[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669625 570367193 /nfs/dbraw/zinc/36/71/93/570367193.db2.gz IJJTXVLTYBRQSS-FQEVSTJZSA-N 1 2 386.519 3.837 40 0 GHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000057669706 570367241 /nfs/dbraw/zinc/36/72/41/570367241.db2.gz WOQNZXZCMDLGIZ-SFHVURJKSA-N 1 2 390.963 3.909 40 0 GHABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000032413121 570510358 /nfs/dbraw/zinc/51/03/58/570510358.db2.gz IWYHMHXAUCOLGE-UHFFFAOYSA-N 1 2 378.516 3.647 40 0 GHABLO CC1CC[NH+]([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004847668 570634227 /nfs/dbraw/zinc/63/42/27/570634227.db2.gz GVFSZYDYMWIZQW-FQEVSTJZSA-N 1 2 383.446 3.821 40 0 GHABLO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC(C)(C)O2 ZINC000044855573 570636710 /nfs/dbraw/zinc/63/67/10/570636710.db2.gz BMZPBEXZDJQNIF-FQEVSTJZSA-N 1 2 391.471 3.972 40 0 GHABLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044883056 570638554 /nfs/dbraw/zinc/63/85/54/570638554.db2.gz BKMJEHYFWNUWHV-JTPHSUOKSA-N 1 2 378.516 3.874 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccsc1 ZINC000261365145 570788489 /nfs/dbraw/zinc/78/84/89/570788489.db2.gz QIPDSRMTHVSTGD-SFHVURJKSA-O 1 2 399.521 3.614 40 0 GHABLO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019551617 210261862 /nfs/dbraw/zinc/26/18/62/210261862.db2.gz NRELGORXQNUTQX-JOCHJYFZSA-N 1 2 382.435 3.965 40 0 GHABLO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019551617 210261865 /nfs/dbraw/zinc/26/18/65/210261865.db2.gz NRELGORXQNUTQX-JOCHJYFZSA-N 1 2 382.435 3.965 40 0 GHABLO CCOc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1O ZINC000019531868 210259430 /nfs/dbraw/zinc/25/94/30/210259430.db2.gz ZKKXZKYCWFJZIG-UHFFFAOYSA-N 1 2 396.535 3.863 40 0 GHABLO CCOc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1O ZINC000019531868 210259433 /nfs/dbraw/zinc/25/94/33/210259433.db2.gz ZKKXZKYCWFJZIG-UHFFFAOYSA-N 1 2 396.535 3.863 40 0 GHABLO CC(C)Oc1cccc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019450891 210249593 /nfs/dbraw/zinc/24/95/93/210249593.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 1 2 380.536 3.979 40 0 GHABLO CC(C)Oc1cccc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019450891 210249599 /nfs/dbraw/zinc/24/95/99/210249599.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 1 2 380.536 3.979 40 0 GHABLO Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000019286672 210237635 /nfs/dbraw/zinc/23/76/35/210237635.db2.gz VSEKKMAVHARQDC-VBKZILBWSA-N 1 2 391.450 3.684 40 0 GHABLO Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 ZINC000019217196 210231739 /nfs/dbraw/zinc/23/17/39/210231739.db2.gz FXYUSORLPKFYMR-ZDUSSCGKSA-N 1 2 384.954 3.888 40 0 GHABLO Cc1ccc(C[N@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 ZINC000019217196 210231744 /nfs/dbraw/zinc/23/17/44/210231744.db2.gz FXYUSORLPKFYMR-ZDUSSCGKSA-N 1 2 384.954 3.888 40 0 GHABLO Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 ZINC000019217195 210230477 /nfs/dbraw/zinc/23/04/77/210230477.db2.gz FXYUSORLPKFYMR-CYBMUJFWSA-N 1 2 384.954 3.888 40 0 GHABLO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 ZINC000019217195 210230474 /nfs/dbraw/zinc/23/04/74/210230474.db2.gz FXYUSORLPKFYMR-CYBMUJFWSA-N 1 2 384.954 3.888 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306141690 212055880 /nfs/dbraw/zinc/05/58/80/212055880.db2.gz WEAVITLAIAUROY-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306141690 212055884 /nfs/dbraw/zinc/05/58/84/212055884.db2.gz WEAVITLAIAUROY-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306130514 212046374 /nfs/dbraw/zinc/04/63/74/212046374.db2.gz JIRQWDKOHBENSE-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306130514 212046378 /nfs/dbraw/zinc/04/63/78/212046378.db2.gz JIRQWDKOHBENSE-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306126188 212045071 /nfs/dbraw/zinc/04/50/71/212045071.db2.gz DPCNZDCLKRZQAY-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306126188 212045073 /nfs/dbraw/zinc/04/50/73/212045073.db2.gz DPCNZDCLKRZQAY-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257299260 212020788 /nfs/dbraw/zinc/02/07/88/212020788.db2.gz RPIPKXIDFBGMKR-INIZCTEOSA-N 1 2 384.867 3.522 40 0 GHABLO CNc1[nH+]c(C2(C)CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c2sccn12 ZINC000257239712 212009551 /nfs/dbraw/zinc/00/95/51/212009551.db2.gz HQLFIOVNLSMNNR-UHFFFAOYSA-N 1 2 394.504 3.508 40 0 GHABLO CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329031740 209157463 /nfs/dbraw/zinc/15/74/63/209157463.db2.gz QKTSWBBDLHIAOS-UHFFFAOYSA-N 1 2 375.476 3.578 40 0 GHABLO COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378485 211104593 /nfs/dbraw/zinc/10/45/93/211104593.db2.gz XWXIBMPYTQEIMK-LJQANCHMSA-N 1 2 390.487 3.615 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000019718466 210288910 /nfs/dbraw/zinc/28/89/10/210288910.db2.gz URFZCDCQJBZTHQ-CQSZACIVSA-N 1 2 375.432 3.526 40 0 GHABLO CCc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563048 136201271 /nfs/dbraw/zinc/20/12/71/136201271.db2.gz PZWRXHOQUQRDLX-OAQYLSRUSA-N 1 2 377.488 3.664 40 0 GHABLO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000103702615 528152273 /nfs/dbraw/zinc/15/22/73/528152273.db2.gz PUJSOUOYRDPRTO-YADHBBJMSA-N 1 2 391.471 3.981 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329043096 570214427 /nfs/dbraw/zinc/21/44/27/570214427.db2.gz SRICCEDBZCQYQY-ZDUSSCGKSA-N 1 2 388.393 3.543 40 0 GHABLO Clc1ccc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)c(Cl)c1 ZINC000022931391 570379320 /nfs/dbraw/zinc/37/93/20/570379320.db2.gz QXUDFBAURFJXQK-UHFFFAOYSA-N 1 2 380.319 3.723 40 0 GHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+](CC)CC)cc2c1 ZINC000000893281 570512890 /nfs/dbraw/zinc/51/28/90/570512890.db2.gz BLJFNZSBZWMBPV-HXUWFJFHSA-N 1 2 394.523 3.623 40 0 GHABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000225220164 570557696 /nfs/dbraw/zinc/55/76/96/570557696.db2.gz CPPMMJDJRFGSCJ-UHFFFAOYSA-N 1 2 375.925 3.869 40 0 GHABLO CC1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000001330493 570567999 /nfs/dbraw/zinc/56/79/99/570567999.db2.gz KIKDLXBYVIQQNU-NRFANRHFSA-N 1 2 379.483 3.876 40 0 GHABLO O=C(Cc1cccc(Br)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225619682 570595338 /nfs/dbraw/zinc/59/53/38/570595338.db2.gz ZJOFAXKIOHAMPE-WEVVVXLNSA-N 1 2 399.332 3.849 40 0 GHABLO Cc1cccn2cc(-c3ccc(C)c(NC(=O)CNC(=O)c4ccco4)c3)[nH+]c12 ZINC000013568828 570850851 /nfs/dbraw/zinc/85/08/51/570850851.db2.gz MVWGWESVWPCWTJ-UHFFFAOYSA-N 1 2 388.427 3.580 40 0 GHABLO O=C(Nc1ccccc1OC[C@H]1CCCCO1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019349964 856421714 /nfs/dbraw/zinc/42/17/14/856421714.db2.gz JBTWYULLUMZOFM-RBUKOAKNSA-N 1 2 395.503 3.885 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306139999 212053590 /nfs/dbraw/zinc/05/35/90/212053590.db2.gz UGKFTUPZUOJXOQ-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306139999 212053592 /nfs/dbraw/zinc/05/35/92/212053592.db2.gz UGKFTUPZUOJXOQ-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306129651 212047413 /nfs/dbraw/zinc/04/74/13/212047413.db2.gz IJABNFHYUIHZCY-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306129651 212047416 /nfs/dbraw/zinc/04/74/16/212047416.db2.gz IJABNFHYUIHZCY-QUCCMNQESA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306127011 212044180 /nfs/dbraw/zinc/04/41/80/212044180.db2.gz FLJLGRLPYUUMSH-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306127011 212044184 /nfs/dbraw/zinc/04/41/84/212044184.db2.gz FLJLGRLPYUUMSH-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257344733 212027414 /nfs/dbraw/zinc/02/74/14/212027414.db2.gz ZYLRGWYVHNNCHZ-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257344733 212027419 /nfs/dbraw/zinc/02/74/19/212027419.db2.gz ZYLRGWYVHNNCHZ-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cn1c[nH+]cc1-c1cccc(C2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000257327446 212026907 /nfs/dbraw/zinc/02/69/07/212026907.db2.gz XBKFJWOHOVKUTN-UHFFFAOYSA-N 1 2 376.460 3.560 40 0 GHABLO CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329066614 209159577 /nfs/dbraw/zinc/15/95/77/209159577.db2.gz YCHONSCHDZDSQM-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328978749 209153795 /nfs/dbraw/zinc/15/37/95/209153795.db2.gz GAAYAPZZRXLXCA-FQEVSTJZSA-N 1 2 398.457 3.885 40 0 GHABLO Cc1nc(Cn2cc(-c3cc(C(=O)NC4CC4)c4ccccn34)[nH+]c2C)cs1 ZINC000096154960 211311693 /nfs/dbraw/zinc/31/16/93/211311693.db2.gz SGAOERSETHJSGK-UHFFFAOYSA-N 1 2 391.500 3.817 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 ZINC000072378837 211106568 /nfs/dbraw/zinc/10/65/68/211106568.db2.gz NKYIXOGFEKDBSO-FQEVSTJZSA-N 1 2 390.487 3.745 40 0 GHABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378558 211104514 /nfs/dbraw/zinc/10/45/14/211104514.db2.gz PEWXGLYPBSNAIA-FQEVSTJZSA-N 1 2 389.503 3.911 40 0 GHABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898711 210346613 /nfs/dbraw/zinc/34/66/13/210346613.db2.gz ASIXWENWCDGYSG-KRWDZBQOSA-N 1 2 397.397 3.528 40 0 biogenic,in-vitro GHABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898711 210346616 /nfs/dbraw/zinc/34/66/16/210346616.db2.gz ASIXWENWCDGYSG-KRWDZBQOSA-N 1 2 397.397 3.528 40 0 biogenic,in-vitro GHABLO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000020454519 210335508 /nfs/dbraw/zinc/33/55/08/210335508.db2.gz UXPRYFWQIHFCPS-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)sc1C ZINC000019715449 210285518 /nfs/dbraw/zinc/28/55/18/210285518.db2.gz QJNFYCJYVQVEKW-HNNXBMFYSA-N 1 2 397.548 3.719 40 0 GHABLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)sc1C ZINC000019715449 210285520 /nfs/dbraw/zinc/28/55/20/210285520.db2.gz QJNFYCJYVQVEKW-HNNXBMFYSA-N 1 2 397.548 3.719 40 0 GHABLO COc1ccccc1CCCn1c[nH+]cc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719955 210288393 /nfs/dbraw/zinc/28/83/93/210288393.db2.gz FDPJQXJEGLZSIF-UHFFFAOYSA-N 1 2 390.487 3.690 40 0 GHABLO CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222795540 570426145 /nfs/dbraw/zinc/42/61/45/570426145.db2.gz VTHXTYQVVYMRLX-SFTDATJTSA-N 1 2 391.544 3.931 40 0 GHABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000225221031 570557723 /nfs/dbraw/zinc/55/77/23/570557723.db2.gz TZJXYFFFULQYIW-UHFFFAOYSA-N 1 2 379.888 3.699 40 0 GHABLO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038855173 570588221 /nfs/dbraw/zinc/58/82/21/570588221.db2.gz UKISAGWKLLUOQF-UHFFFAOYSA-N 1 2 376.460 3.570 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccc(F)c2)CC1 ZINC000012116394 570611163 /nfs/dbraw/zinc/61/11/63/570611163.db2.gz DKNQAARALTYUPQ-UHFFFAOYSA-N 1 2 380.467 3.728 40 0 GHABLO COc1ccc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000225841325 570624774 /nfs/dbraw/zinc/62/47/74/570624774.db2.gz MZTRRBINSQIOEV-UHFFFAOYSA-N 1 2 393.468 3.513 40 0 GHABLO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC(C)(C)O2 ZINC000044855574 570636616 /nfs/dbraw/zinc/63/66/16/570636616.db2.gz BMZPBEXZDJQNIF-HXUWFJFHSA-N 1 2 391.471 3.972 40 0 GHABLO COc1cc2[nH]c(=S)n(C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2cc1OC ZINC000239030841 570681138 /nfs/dbraw/zinc/68/11/38/570681138.db2.gz CKEHLFDGCRPKKT-UHFFFAOYSA-N 1 2 377.510 3.970 40 0 GHABLO [NH3+][C@@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccc(Cl)cc1 ZINC000095533993 860614293 /nfs/dbraw/zinc/61/42/93/860614293.db2.gz SZGPTYOCIUKHFI-CYBMUJFWSA-N 1 2 379.645 3.641 40 0 GHABLO COc1cccc(C[N@@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 ZINC000019565090 210266502 /nfs/dbraw/zinc/26/65/02/210266502.db2.gz MVUVMOPJEYWDHR-HNNXBMFYSA-N 1 2 394.924 3.527 40 0 GHABLO COc1cccc(C[N@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 ZINC000019565090 210266504 /nfs/dbraw/zinc/26/65/04/210266504.db2.gz MVUVMOPJEYWDHR-HNNXBMFYSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000019552088 210261719 /nfs/dbraw/zinc/26/17/19/210261719.db2.gz IBWZRUFVUKRAMN-PXNSSMCTSA-N 1 2 395.503 3.679 40 0 GHABLO Cc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)[NH+]=C3N=CNN32)s1 ZINC000408628317 231087930 /nfs/dbraw/zinc/08/79/30/231087930.db2.gz WRAYZEZDZNMBDW-MRXNPFEDSA-N 1 2 385.880 3.882 40 0 GHABLO Cc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c(=O)n1C ZINC000019131838 210226739 /nfs/dbraw/zinc/22/67/39/210226739.db2.gz DFUSDAMIEBCXCO-UHFFFAOYSA-N 1 2 386.455 3.608 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000012116395 209909971 /nfs/dbraw/zinc/90/99/71/209909971.db2.gz JCIGOBXGJHRCCI-UHFFFAOYSA-N 1 2 398.536 3.886 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)n1 ZINC000306133909 212050630 /nfs/dbraw/zinc/05/06/30/212050630.db2.gz MZDDKSFCEUBXRX-NQIIRXRSSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)n1 ZINC000306133909 212050634 /nfs/dbraw/zinc/05/06/34/212050634.db2.gz MZDDKSFCEUBXRX-NQIIRXRSSA-N 1 2 396.537 3.874 40 0 GHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257226490 212007078 /nfs/dbraw/zinc/00/70/78/212007078.db2.gz FKUDTMXCKPHJFY-HXUWFJFHSA-N 1 2 391.475 3.506 40 0 GHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257226490 212007080 /nfs/dbraw/zinc/00/70/80/212007080.db2.gz FKUDTMXCKPHJFY-HXUWFJFHSA-N 1 2 391.475 3.506 40 0 GHABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257225343 212006438 /nfs/dbraw/zinc/00/64/38/212006438.db2.gz FFTZQWOBNJJCCY-URXFXBBRSA-N 1 2 394.515 3.692 40 0 GHABLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257225343 212006440 /nfs/dbraw/zinc/00/64/40/212006440.db2.gz FFTZQWOBNJJCCY-URXFXBBRSA-N 1 2 394.515 3.692 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329026605 209157948 /nfs/dbraw/zinc/15/79/48/209157948.db2.gz PNOIRALYUDZVKH-HXUWFJFHSA-N 1 2 398.457 3.885 40 0 GHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257221111 212005064 /nfs/dbraw/zinc/00/50/64/212005064.db2.gz DNNRSNIDBSZQDM-QHCPKHFHSA-N 1 2 379.504 3.640 40 0 GHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257221111 212005068 /nfs/dbraw/zinc/00/50/68/212005068.db2.gz DNNRSNIDBSZQDM-QHCPKHFHSA-N 1 2 379.504 3.640 40 0 GHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257205312 212002643 /nfs/dbraw/zinc/00/26/43/212002643.db2.gz AYLUVRGJJFEPPS-ZDUSSCGKSA-N 1 2 386.546 3.834 40 0 GHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257205312 212002647 /nfs/dbraw/zinc/00/26/47/212002647.db2.gz AYLUVRGJJFEPPS-ZDUSSCGKSA-N 1 2 386.546 3.834 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329029237 209157489 /nfs/dbraw/zinc/15/74/89/209157489.db2.gz PYHXDNDWDLZNSC-OAHLLOKOSA-N 1 2 397.306 3.961 40 0 GHABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)ccc1Br ZINC000328977311 209154927 /nfs/dbraw/zinc/15/49/27/209154927.db2.gz FTCIAUQQJLZGPG-UHFFFAOYSA-N 1 2 399.292 3.784 40 0 GHABLO COc1ccc([C@H](c2nnnn2Cc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330504 211504809 /nfs/dbraw/zinc/50/48/09/211504809.db2.gz NZDYFOWLISAGRE-OAQYLSRUSA-N 1 2 377.492 3.551 40 0 GHABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096145034 211308740 /nfs/dbraw/zinc/30/87/40/211308740.db2.gz HQVIJYHHBNNDOF-UHFFFAOYSA-N 1 2 386.499 3.627 40 0 GHABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096145034 211308743 /nfs/dbraw/zinc/30/87/43/211308743.db2.gz HQVIJYHHBNNDOF-UHFFFAOYSA-N 1 2 386.499 3.627 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378440 211106513 /nfs/dbraw/zinc/10/65/13/211106513.db2.gz JOMFVRIFAWQXSB-IBGZPJMESA-N 1 2 375.476 3.692 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355332 211098475 /nfs/dbraw/zinc/09/84/75/211098475.db2.gz KEBKICIFFTXZLM-GOSISDBHSA-N 1 2 375.476 3.806 40 0 GHABLO CCOC(=O)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000021673336 210390006 /nfs/dbraw/zinc/39/00/06/210390006.db2.gz OKBFLDRJCQKBMB-OAQYLSRUSA-N 1 2 378.476 3.735 40 0 GHABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216252 570317335 /nfs/dbraw/zinc/31/73/35/570317335.db2.gz PPMPYHMXYNXSNU-HXUWFJFHSA-N 1 2 381.476 3.782 40 0 GHABLO CC(C)(C)c1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000110678041 570324287 /nfs/dbraw/zinc/32/42/87/570324287.db2.gz PPEGZJJLAJIJSC-UHFFFAOYSA-N 1 2 396.531 3.625 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nccs2)cc1C ZINC000001346455 570572163 /nfs/dbraw/zinc/57/21/63/570572163.db2.gz AIIVPXSXURSEBX-UHFFFAOYSA-N 1 2 396.501 3.620 40 0 GHABLO CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454509 570575828 /nfs/dbraw/zinc/57/58/28/570575828.db2.gz SKAZHMNRTPDQAR-UHFFFAOYSA-N 1 2 394.500 3.844 40 0 GHABLO O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000038752655 570581409 /nfs/dbraw/zinc/58/14/09/570581409.db2.gz BTAIYWJUIYRRJK-UHFFFAOYSA-N 1 2 376.243 3.874 40 0 GHABLO COc1cc(OC)cc(C(=O)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)c1 ZINC000001380403 570583571 /nfs/dbraw/zinc/58/35/71/570583571.db2.gz BUDQJHRBQVIYCO-UHFFFAOYSA-N 1 2 397.450 3.978 40 0 GHABLO COc1cc(C)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C(C)C ZINC000225669136 570600525 /nfs/dbraw/zinc/60/05/25/570600525.db2.gz QYGHQZKYAWIZLI-UHFFFAOYSA-N 1 2 396.531 3.889 40 0 GHABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1C ZINC000012088305 570606613 /nfs/dbraw/zinc/60/66/13/570606613.db2.gz ZCTGRQOTWYXZAO-NRFANRHFSA-N 1 2 377.488 3.718 40 0 GHABLO COc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000004847680 570634481 /nfs/dbraw/zinc/63/44/81/570634481.db2.gz OQZPATWJWGFKTJ-JOCHJYFZSA-N 1 2 391.519 3.746 40 0 GHABLO COc1ccc(OC)c2nc3c(cc12)C[N@H+](CCc1ccc(F)cc1)CCO3 ZINC000013563832 570852410 /nfs/dbraw/zinc/85/24/10/570852410.db2.gz WLIMSEGAYULZRB-UHFFFAOYSA-N 1 2 382.435 3.828 40 0 GHABLO COc1ccc(OC)c2nc3c(cc12)C[N@@H+](CCc1ccc(F)cc1)CCO3 ZINC000013563832 570852411 /nfs/dbraw/zinc/85/24/11/570852411.db2.gz WLIMSEGAYULZRB-UHFFFAOYSA-N 1 2 382.435 3.828 40 0 GHABLO CC(C)Oc1ccc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019450674 210248887 /nfs/dbraw/zinc/24/88/87/210248887.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 1 2 380.536 3.979 40 0 GHABLO CC(C)Oc1ccc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019450674 210248894 /nfs/dbraw/zinc/24/88/94/210248894.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 1 2 380.536 3.979 40 0 GHABLO O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCCCn1cc[nH+]c1 ZINC000019347098 210244222 /nfs/dbraw/zinc/24/42/22/210244222.db2.gz QPINAJIGSOLGMR-UHFFFAOYSA-N 1 2 391.450 3.636 40 0 GHABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cnc(C)nc1)CC2 ZINC000019287252 210237143 /nfs/dbraw/zinc/23/71/43/210237143.db2.gz VYJVALJMKASHII-QHCPKHFHSA-N 1 2 375.472 3.950 40 0 GHABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cnc(C)nc1)CC2 ZINC000019287252 210237146 /nfs/dbraw/zinc/23/71/46/210237146.db2.gz VYJVALJMKASHII-QHCPKHFHSA-N 1 2 375.472 3.950 40 0 GHABLO Cc1ccc2[nH]c(CCc3ccc(NC(=O)[C@@H](C)Cn4cncn4)cc3)[nH+]c2c1 ZINC000019221544 210230638 /nfs/dbraw/zinc/23/06/38/210230638.db2.gz VZYODTDJOHIOMH-INIZCTEOSA-N 1 2 388.475 3.523 40 0 GHABLO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)[C@@H](C)Cn4cncn4)cc3)[nH]c2c1 ZINC000019221544 210230644 /nfs/dbraw/zinc/23/06/44/210230644.db2.gz VZYODTDJOHIOMH-INIZCTEOSA-N 1 2 388.475 3.523 40 0 GHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257318319 212024278 /nfs/dbraw/zinc/02/42/78/212024278.db2.gz VNJXJHRVVZBENY-FQEVSTJZSA-N 1 2 391.475 3.506 40 0 GHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257318319 212024280 /nfs/dbraw/zinc/02/42/80/212024280.db2.gz VNJXJHRVVZBENY-FQEVSTJZSA-N 1 2 391.475 3.506 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000257262171 212013066 /nfs/dbraw/zinc/01/30/66/212013066.db2.gz LKKHUDSIZBDETM-QFIPXVFZSA-N 1 2 378.476 3.547 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000257262171 212013070 /nfs/dbraw/zinc/01/30/70/212013070.db2.gz LKKHUDSIZBDETM-QFIPXVFZSA-N 1 2 378.476 3.547 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C ZINC000257203525 212001482 /nfs/dbraw/zinc/00/14/82/212001482.db2.gz AQLLTUNLEKFKMX-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C ZINC000257203525 212001488 /nfs/dbraw/zinc/00/14/88/212001488.db2.gz AQLLTUNLEKFKMX-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000328960426 209153998 /nfs/dbraw/zinc/15/39/98/209153998.db2.gz AXXSBPDJYHFZJJ-NRFANRHFSA-N 1 2 376.504 3.915 40 0 GHABLO Cc1cc(C(=O)N2CCC3(CCn4c(-c5cccc(F)c5)c[nH+]c43)CC2)no1 ZINC000096080119 211300311 /nfs/dbraw/zinc/30/03/11/211300311.db2.gz UIHTWGGLRZKUQA-UHFFFAOYSA-N 1 2 380.423 3.563 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)NCCc2ccccc2)cc[nH+]1 ZINC000072360785 211100420 /nfs/dbraw/zinc/10/04/20/211100420.db2.gz PTTFPDPHQWPLBA-LJQANCHMSA-N 1 2 390.491 3.533 40 0 GHABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072355391 211099484 /nfs/dbraw/zinc/09/94/84/211099484.db2.gz FMZOIHKKAZUQRB-UHFFFAOYSA-N 1 2 389.503 3.564 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072355350 211098886 /nfs/dbraw/zinc/09/88/86/211098886.db2.gz QKKWYNMKTUUXGG-LJQANCHMSA-N 1 2 389.503 3.734 40 0 GHABLO CN(Cc1ccccc1)c1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21 ZINC000067288027 211006567 /nfs/dbraw/zinc/00/65/67/211006567.db2.gz GOELURFLFDXINO-UHFFFAOYSA-N 1 2 395.890 3.997 40 0 GHABLO COc1ccc(CCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1OC ZINC000219852107 136204390 /nfs/dbraw/zinc/20/43/90/136204390.db2.gz QTNBBSPNKHRCTR-UHFFFAOYSA-N 1 2 382.504 3.588 40 0 GHABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529987 560212881 /nfs/dbraw/zinc/21/28/81/560212881.db2.gz TVKGPMPGLZLOCR-ROUUACIJSA-N 1 2 395.438 3.751 40 0 biogenic,in-vitro GHABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529987 560212883 /nfs/dbraw/zinc/21/28/83/560212883.db2.gz TVKGPMPGLZLOCR-ROUUACIJSA-N 1 2 395.438 3.751 40 0 biogenic,in-vitro GHABLO CNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329040247 570214349 /nfs/dbraw/zinc/21/43/49/570214349.db2.gz SBXQCQGFPWHAQS-UHFFFAOYSA-N 1 2 380.395 3.601 40 0 GHABLO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000030754808 570494805 /nfs/dbraw/zinc/49/48/05/570494805.db2.gz DAHOMEWMXMVCJS-HNNXBMFYSA-N 1 2 397.500 3.687 40 0 GHABLO C[C@H](CN1CC[NH+](C[C@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000023479069 570539804 /nfs/dbraw/zinc/53/98/04/570539804.db2.gz GIGZBFNCAMWHDI-BGYRXZFFSA-N 1 2 378.516 3.642 40 0 GHABLO C[C@H](C[NH+]1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000023479069 570539805 /nfs/dbraw/zinc/53/98/05/570539805.db2.gz GIGZBFNCAMWHDI-BGYRXZFFSA-N 1 2 378.516 3.642 40 0 GHABLO COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330490 570567937 /nfs/dbraw/zinc/56/79/37/570567937.db2.gz MSBFZSOMAIPIBS-NRFANRHFSA-N 1 2 395.482 3.690 40 0 GHABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225605043 570592662 /nfs/dbraw/zinc/59/26/62/570592662.db2.gz FKUDXQWQIYQPFS-QGZVFWFLSA-N 1 2 375.472 3.835 40 0 GHABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c(OC)c1 ZINC000053536275 570675060 /nfs/dbraw/zinc/67/50/60/570675060.db2.gz PZERTMSSSVQXRM-GOSISDBHSA-N 1 2 381.476 3.761 40 0 GHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c(OC)c1 ZINC000053536275 570675061 /nfs/dbraw/zinc/67/50/61/570675061.db2.gz PZERTMSSSVQXRM-GOSISDBHSA-N 1 2 381.476 3.761 40 0 GHABLO CC[NH+](CC)[C@@H]1COc2c(Br)c(C)c(Br)cc2C1=O ZINC000055116632 570683492 /nfs/dbraw/zinc/68/34/92/570683492.db2.gz MVYDGCAPNDUWFZ-LLVKDONJSA-N 1 2 391.103 3.806 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccs1 ZINC000261365879 570789034 /nfs/dbraw/zinc/78/90/34/570789034.db2.gz VYRSWTDQQPFANF-GOSISDBHSA-O 1 2 399.521 3.614 40 0 GHABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1 ZINC000019453641 210250371 /nfs/dbraw/zinc/25/03/71/210250371.db2.gz DPDZYBZRVVIBGT-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1 ZINC000019453641 210250375 /nfs/dbraw/zinc/25/03/75/210250375.db2.gz DPDZYBZRVVIBGT-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019402321 210247795 /nfs/dbraw/zinc/24/77/95/210247795.db2.gz JJWFNJQMSZJMAB-UHFFFAOYSA-N 1 2 386.377 3.821 40 0 GHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019402321 210247800 /nfs/dbraw/zinc/24/78/00/210247800.db2.gz JJWFNJQMSZJMAB-UHFFFAOYSA-N 1 2 386.377 3.821 40 0 GHABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 ZINC000019291205 210237486 /nfs/dbraw/zinc/23/74/86/210237486.db2.gz NKRXPUPHBHQCRW-LJQANCHMSA-N 1 2 394.381 3.873 40 0 GHABLO COc1cccc([C@@H](NC(=O)c2cc3c(cccc3F)[nH]2)c2[nH+]ccn2C)c1 ZINC000019291235 210237263 /nfs/dbraw/zinc/23/72/63/210237263.db2.gz KPGBDBVFSPPEMM-LJQANCHMSA-N 1 2 378.407 3.569 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306138397 212052818 /nfs/dbraw/zinc/05/28/18/212052818.db2.gz RWKIDDQKGHFJSW-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306138397 212052822 /nfs/dbraw/zinc/05/28/22/212052822.db2.gz RWKIDDQKGHFJSW-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306131735 212049610 /nfs/dbraw/zinc/04/96/10/212049610.db2.gz KOGWDSGFBLFTQO-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306131735 212049614 /nfs/dbraw/zinc/04/96/14/212049614.db2.gz KOGWDSGFBLFTQO-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306124810 212045121 /nfs/dbraw/zinc/04/51/21/212045121.db2.gz CAAXBWUSVDOEJC-GHTZIAJQSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306124810 212045127 /nfs/dbraw/zinc/04/51/27/212045127.db2.gz CAAXBWUSVDOEJC-GHTZIAJQSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257303671 212019817 /nfs/dbraw/zinc/01/98/17/212019817.db2.gz SIENMNKLLGTTCR-HXUWFJFHSA-N 1 2 382.895 3.931 40 0 GHABLO CNc1nc(NCc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329054706 209160272 /nfs/dbraw/zinc/16/02/72/209160272.db2.gz VKROYSFBNYHPJM-UHFFFAOYSA-N 1 2 388.393 3.848 40 0 GHABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329064705 209159975 /nfs/dbraw/zinc/15/99/75/209159975.db2.gz XMGKNJIJYZMVTI-OAHLLOKOSA-N 1 2 382.895 3.794 40 0 GHABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328993802 209156587 /nfs/dbraw/zinc/15/65/87/209156587.db2.gz JCIBJMSGDLLQDN-AWEZNQCLSA-N 1 2 382.895 3.794 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328992581 209156666 /nfs/dbraw/zinc/15/66/66/209156666.db2.gz IXDKGNTYPVGMIH-OAHLLOKOSA-N 1 2 396.413 3.847 40 0 GHABLO CNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328983567 209155196 /nfs/dbraw/zinc/15/51/96/209155196.db2.gz HHCIFKAQJGDDSB-UHFFFAOYSA-N 1 2 396.319 3.950 40 0 GHABLO Cc1cc2[nH+]cn(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2cc1C ZINC000019655328 210277683 /nfs/dbraw/zinc/27/76/83/210277683.db2.gz OGMVWVUMCXECIQ-INIZCTEOSA-N 1 2 379.460 3.692 40 0 GHABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329038680 570214137 /nfs/dbraw/zinc/21/41/37/570214137.db2.gz RUKQQDGPXJOFFR-HXUWFJFHSA-N 1 2 378.476 3.747 40 0 GHABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216192 570317136 /nfs/dbraw/zinc/31/71/36/570317136.db2.gz DFPKZXKJYVRAMF-HXUWFJFHSA-N 1 2 381.476 3.782 40 0 GHABLO CCC[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671144 570368253 /nfs/dbraw/zinc/36/82/53/570368253.db2.gz QAHVATLSCNSWOQ-FQEVSTJZSA-N 1 2 394.523 3.595 40 0 GHABLO O=C(COc1ccc2c(c1)CCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223258697 570453722 /nfs/dbraw/zinc/45/37/22/570453722.db2.gz ISXRDLVVFMKSTO-RMKNXTFCSA-N 1 2 390.527 3.802 40 0 GHABLO CC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035291347 570459839 /nfs/dbraw/zinc/45/98/39/570459839.db2.gz UXYCSBJXKUQFMF-INIZCTEOSA-N 1 2 382.434 3.546 40 0 GHABLO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225226045 570557437 /nfs/dbraw/zinc/55/74/37/570557437.db2.gz BNHRKPLHROLTPN-UHFFFAOYSA-N 1 2 380.439 3.615 40 0 GHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000012667014 570696913 /nfs/dbraw/zinc/69/69/13/570696913.db2.gz XFJWVYHRXBAJKU-UHFFFAOYSA-N 1 2 388.393 3.889 40 0 GHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000012667014 570696916 /nfs/dbraw/zinc/69/69/16/570696916.db2.gz XFJWVYHRXBAJKU-UHFFFAOYSA-N 1 2 388.393 3.889 40 0 GHABLO O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000245039179 570698694 /nfs/dbraw/zinc/69/86/94/570698694.db2.gz OJBFMGLXGRRFJV-KRWDZBQOSA-N 1 2 376.909 3.853 40 0 GHABLO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1O ZINC000008109285 856399289 /nfs/dbraw/zinc/39/92/89/856399289.db2.gz PRJOLLJKWQGVTM-UHFFFAOYSA-N 1 2 376.909 3.548 40 0 GHABLO Cc1cc(C)cc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000008500038 856407962 /nfs/dbraw/zinc/40/79/62/856407962.db2.gz NUZQFJWKKUJCNU-TYOLEZHBSA-N 1 2 378.516 3.928 40 0 GHABLO COc1ccc2cc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)c(OC)nc2c1 ZINC000019563955 210263908 /nfs/dbraw/zinc/26/39/08/210263908.db2.gz LARWAHGOTJDGIW-NRFANRHFSA-N 1 2 393.487 3.828 40 0 GHABLO COc1ccc2cc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)c(OC)nc2c1 ZINC000019563955 210263910 /nfs/dbraw/zinc/26/39/10/210263910.db2.gz LARWAHGOTJDGIW-NRFANRHFSA-N 1 2 393.487 3.828 40 0 GHABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000019349432 210244179 /nfs/dbraw/zinc/24/41/79/210244179.db2.gz KTUGQFHYTYPJOQ-UHFFFAOYSA-N 1 2 379.407 3.535 40 0 GHABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000019349432 210244184 /nfs/dbraw/zinc/24/41/84/210244184.db2.gz KTUGQFHYTYPJOQ-UHFFFAOYSA-N 1 2 379.407 3.535 40 0 GHABLO c1ccc(OC2CCCC2)c(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019348708 210243116 /nfs/dbraw/zinc/24/31/16/210243116.db2.gz ZRIGTTXAFRNHGF-UHFFFAOYSA-N 1 2 395.547 3.737 40 0 GHABLO c1ccc(OC2CCCC2)c(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019348708 210243120 /nfs/dbraw/zinc/24/31/20/210243120.db2.gz ZRIGTTXAFRNHGF-UHFFFAOYSA-N 1 2 395.547 3.737 40 0 GHABLO c1ccc(OC2CCCC2)c(CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000019348708 210243124 /nfs/dbraw/zinc/24/31/24/210243124.db2.gz ZRIGTTXAFRNHGF-UHFFFAOYSA-N 1 2 395.547 3.737 40 0 GHABLO Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000019286671 210237586 /nfs/dbraw/zinc/23/75/86/210237586.db2.gz VSEKKMAVHARQDC-VLIAUNLRSA-N 1 2 391.450 3.684 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1 ZINC000012116384 209909259 /nfs/dbraw/zinc/90/92/59/209909259.db2.gz QPYIWWOAKLKNCV-UHFFFAOYSA-N 1 2 392.503 3.598 40 0 GHABLO c1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019369585 209182360 /nfs/dbraw/zinc/18/23/60/209182360.db2.gz BCEMHADMTHMVGL-QFIPXVFZSA-N 1 2 388.519 3.700 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306128572 212047276 /nfs/dbraw/zinc/04/72/76/212047276.db2.gz HFDWTPMKFKDOPS-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306128572 212047281 /nfs/dbraw/zinc/04/72/81/212047281.db2.gz HFDWTPMKFKDOPS-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306130783 212049770 /nfs/dbraw/zinc/04/97/70/212049770.db2.gz JPHWQYBFLPDZDM-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306130783 212049771 /nfs/dbraw/zinc/04/97/71/212049771.db2.gz JPHWQYBFLPDZDM-ICSRJNTNSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(c3ncccn3)Cc3ccccc32)cs1 ZINC000306123966 212045405 /nfs/dbraw/zinc/04/54/05/212045405.db2.gz BBQCWFQUTGURGB-LJQANCHMSA-N 1 2 388.500 3.638 40 0 GHABLO CNc1cc([C@@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000257310562 212022856 /nfs/dbraw/zinc/02/28/56/212022856.db2.gz UFQBCMYXJZGJLT-NRFANRHFSA-N 1 2 387.483 3.723 40 0 GHABLO COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329030387 209158391 /nfs/dbraw/zinc/15/83/91/209158391.db2.gz QEKQULCCDVEJHE-INIZCTEOSA-N 1 2 376.888 3.610 40 0 GHABLO OCCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329037519 209158104 /nfs/dbraw/zinc/15/81/04/209158104.db2.gz ROAILGHYYADZJL-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096244876 211324794 /nfs/dbraw/zinc/32/47/94/211324794.db2.gz BXCIPSYHFXRPMJ-APWZRJJASA-N 1 2 375.299 3.879 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2Cl)C1 ZINC000096244876 211324800 /nfs/dbraw/zinc/32/48/00/211324800.db2.gz BXCIPSYHFXRPMJ-APWZRJJASA-N 1 2 375.299 3.879 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000072355336 211099383 /nfs/dbraw/zinc/09/93/83/211099383.db2.gz USALVMWIDFTALI-UHFFFAOYSA-N 1 2 375.476 3.806 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 ZINC000072358595 211099245 /nfs/dbraw/zinc/09/92/45/211099245.db2.gz ONCHKSDPNWRABW-CQSZACIVSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 ZINC000072358595 211099248 /nfs/dbraw/zinc/09/92/48/211099248.db2.gz ONCHKSDPNWRABW-CQSZACIVSA-N 1 2 397.479 3.557 40 0 GHABLO CC[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020493627 210341955 /nfs/dbraw/zinc/34/19/55/210341955.db2.gz AOTBZGWCXKEZBH-OUZREKFBSA-N 1 2 382.479 3.841 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000219853398 136204472 /nfs/dbraw/zinc/20/44/72/136204472.db2.gz KJNVVKDMDPMZCM-UHFFFAOYSA-N 1 2 381.495 3.699 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1ccccc1OCc1ccccc1Cl ZINC000408578366 534459141 /nfs/dbraw/zinc/45/91/41/534459141.db2.gz XUGULYFGCBANEY-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccccc3)n2)cc1 ZINC000015675786 560094950 /nfs/dbraw/zinc/09/49/50/560094950.db2.gz NARZPYAVOFDOIV-IBGZPJMESA-N 1 2 385.427 3.708 40 0 biogenic,in-vitro GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccccc3)n2)cc1 ZINC000015675786 560094951 /nfs/dbraw/zinc/09/49/51/560094951.db2.gz NARZPYAVOFDOIV-IBGZPJMESA-N 1 2 385.427 3.708 40 0 biogenic,in-vitro GHABLO Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ccn2)n1 ZINC000585291336 570259978 /nfs/dbraw/zinc/25/99/78/570259978.db2.gz NTUTUMKTMMJIKU-LKGOPFMKSA-N 1 2 388.475 3.671 40 0 GHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670550 570368325 /nfs/dbraw/zinc/36/83/25/570368325.db2.gz ZQVVSGQIDKSQTP-NRFANRHFSA-N 1 2 390.535 3.612 40 0 GHABLO CC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035291349 570460298 /nfs/dbraw/zinc/46/02/98/570460298.db2.gz UXYCSBJXKUQFMF-MRXNPFEDSA-N 1 2 382.434 3.546 40 0 GHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000888860 570511400 /nfs/dbraw/zinc/51/14/00/570511400.db2.gz SIMCJJOQTKVNOO-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000012145798 570616366 /nfs/dbraw/zinc/61/63/66/570616366.db2.gz RRZRAYZDPMFCDL-UHFFFAOYSA-N 1 2 394.494 3.771 40 0 GHABLO CCn1cc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c(C)n1 ZINC000012147731 570617241 /nfs/dbraw/zinc/61/72/41/570617241.db2.gz CZOFXOXYXGCAQU-UHFFFAOYSA-N 1 2 390.553 3.777 40 0 GHABLO CCn1cc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000012147731 570617242 /nfs/dbraw/zinc/61/72/42/570617242.db2.gz CZOFXOXYXGCAQU-UHFFFAOYSA-N 1 2 390.553 3.777 40 0 GHABLO CCN(Cc1ccco1)c1nc(N(C)C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000012274926 570631759 /nfs/dbraw/zinc/63/17/59/570631759.db2.gz JGEOJDYABSCACC-UHFFFAOYSA-N 1 2 391.519 3.720 40 0 GHABLO CCN(Cc1ccco1)c1nc(N(C)C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000012274926 570631761 /nfs/dbraw/zinc/63/17/61/570631761.db2.gz JGEOJDYABSCACC-UHFFFAOYSA-N 1 2 391.519 3.720 40 0 GHABLO O=S1(=O)CC[C@@H]([NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000055155585 570685317 /nfs/dbraw/zinc/68/53/17/570685317.db2.gz QTUDEVQBSLVVEC-JOCHJYFZSA-N 1 2 377.509 3.755 40 0 GHABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 ZINC000248028337 570719590 /nfs/dbraw/zinc/71/95/90/570719590.db2.gz LDWNRXLYUFYOQR-LJQANCHMSA-N 1 2 375.538 3.643 40 0 GHABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 ZINC000248028337 570719592 /nfs/dbraw/zinc/71/95/92/570719592.db2.gz LDWNRXLYUFYOQR-LJQANCHMSA-N 1 2 375.538 3.643 40 0 GHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000261364203 570788703 /nfs/dbraw/zinc/78/87/03/570788703.db2.gz JZAFJDUXENQXFR-SFHVURJKSA-O 1 2 381.481 3.707 40 0 GHABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)ccc1OC ZINC000095534432 860613975 /nfs/dbraw/zinc/61/39/75/860613975.db2.gz FGTDJPKBURIWQY-INIZCTEOSA-N 1 2 392.381 3.946 40 0 GHABLO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000019552090 210261495 /nfs/dbraw/zinc/26/14/95/210261495.db2.gz IBWZRUFVUKRAMN-FXAWDEMLSA-N 1 2 395.503 3.679 40 0 GHABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1c[nH+]cn1C)CC2 ZINC000019291836 210238389 /nfs/dbraw/zinc/23/83/89/210238389.db2.gz UEJFGOIHHBRKJA-JOCHJYFZSA-N 1 2 381.451 3.724 40 0 GHABLO COc1ccc(C[N@@H+](Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000013993499 210099901 /nfs/dbraw/zinc/09/99/01/210099901.db2.gz WAIRGZONDRDGAP-IBGZPJMESA-N 1 2 386.492 3.597 40 0 GHABLO COc1ccc(C[N@H+](Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000013993499 210099905 /nfs/dbraw/zinc/09/99/05/210099905.db2.gz WAIRGZONDRDGAP-IBGZPJMESA-N 1 2 386.492 3.597 40 0 GHABLO CC(C)(C)OC(=O)N1CC[NH2+]C2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC000306145303 212057304 /nfs/dbraw/zinc/05/73/04/212057304.db2.gz AZNOHZITQDKTGW-UHFFFAOYSA-N 1 2 393.531 3.671 40 0 GHABLO CC(C)(C)OC(=O)N1CCNC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000306145303 212057308 /nfs/dbraw/zinc/05/73/08/212057308.db2.gz AZNOHZITQDKTGW-UHFFFAOYSA-N 1 2 393.531 3.671 40 0 GHABLO CCn1cc[nH+]c1CN1CC2(C1)CO[C@@H]1c3cccc(OC)c3OC(C)(C)[C@H]1C2 ZINC000257317962 212024610 /nfs/dbraw/zinc/02/46/10/212024610.db2.gz VLXLTSXUBPDSGL-FXAWDEMLSA-N 1 2 397.519 3.662 40 0 GHABLO CCn1ccnc1C[NH+]1CC2(C1)CO[C@@H]1c3cccc(OC)c3OC(C)(C)[C@H]1C2 ZINC000257317962 212024612 /nfs/dbraw/zinc/02/46/12/212024612.db2.gz VLXLTSXUBPDSGL-FXAWDEMLSA-N 1 2 397.519 3.662 40 0 GHABLO Cc1cc(Cc2ccccc2Cl)cc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257274890 212014107 /nfs/dbraw/zinc/01/41/07/212014107.db2.gz NNBZBFIZJQZPAN-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1cc(Cc2ccccc2Cl)cc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257274890 212014111 /nfs/dbraw/zinc/01/41/11/212014111.db2.gz NNBZBFIZJQZPAN-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1cnc(Nc2cc(C)nc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)c2)s1 ZINC000257261463 212013106 /nfs/dbraw/zinc/01/31/06/212013106.db2.gz LHKMIKUNXIKRGZ-IBGZPJMESA-N 1 2 398.536 3.514 40 0 GHABLO Cc1cnc(Nc2cc(C)nc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)c2)s1 ZINC000257261463 212013111 /nfs/dbraw/zinc/01/31/11/212013111.db2.gz LHKMIKUNXIKRGZ-IBGZPJMESA-N 1 2 398.536 3.514 40 0 GHABLO Cc1nc(C(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4C(C)C)n3)C2)co1 ZINC000072379259 211107541 /nfs/dbraw/zinc/10/75/41/211107541.db2.gz UBODJVQTOATAGY-INIZCTEOSA-N 1 2 379.464 3.707 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353339 211096400 /nfs/dbraw/zinc/09/64/00/211096400.db2.gz SFTXCXFVVJCOHK-KRWDZBQOSA-N 1 2 390.491 3.590 40 0 GHABLO [NH2+]=C(Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)N1CCCCC1 ZINC000019819781 210300732 /nfs/dbraw/zinc/30/07/32/210300732.db2.gz QIQLANZWPARGPL-UHFFFAOYSA-N 1 2 377.901 3.548 40 0 GHABLO Cc1cc(N2CCC([C@H]3CC=CCN(C)C3=O)CC2)nc(-c2ccccc2)[nH+]1 ZINC000019698497 210281876 /nfs/dbraw/zinc/28/18/76/210281876.db2.gz SUGYCYZORVUFKS-HXUWFJFHSA-N 1 2 376.504 3.703 40 0 GHABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000019662470 210280283 /nfs/dbraw/zinc/28/02/83/210280283.db2.gz GIUSNDDJNDCAAR-UHFFFAOYSA-N 1 2 377.423 3.621 40 0 GHABLO Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)nc(C)n1 ZINC000019655023 210276967 /nfs/dbraw/zinc/27/69/67/210276967.db2.gz FUILAKHHBPRSON-UHFFFAOYSA-N 1 2 394.504 3.534 40 0 GHABLO Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)nc(C)n1 ZINC000019655023 210276971 /nfs/dbraw/zinc/27/69/71/210276971.db2.gz FUILAKHHBPRSON-UHFFFAOYSA-N 1 2 394.504 3.534 40 0 GHABLO Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)on1 ZINC000019584109 210271262 /nfs/dbraw/zinc/27/12/62/210271262.db2.gz KIEURTPYVKRKMG-UHFFFAOYSA-N 1 2 378.436 3.646 40 0 GHABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@@H](O)C2)cc1)CCC3 ZINC000013563487 136201301 /nfs/dbraw/zinc/20/13/01/136201301.db2.gz BSUOTJQCROWVEH-JOCHJYFZSA-N 1 2 389.499 3.590 40 0 GHABLO F[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112182 560061495 /nfs/dbraw/zinc/06/14/95/560061495.db2.gz VRTYJFOCMYGLTK-UTKZUKDTSA-N 1 2 376.435 3.850 40 0 biogenic,in-vitro GHABLO F[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112182 560061497 /nfs/dbraw/zinc/06/14/97/560061497.db2.gz VRTYJFOCMYGLTK-UTKZUKDTSA-N 1 2 376.435 3.850 40 0 biogenic,in-vitro GHABLO Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)ccn1 ZINC000585290522 570258644 /nfs/dbraw/zinc/25/86/44/570258644.db2.gz BZOFKGDWGOJLGX-IPLHWJFFSA-N 1 2 388.475 3.671 40 0 GHABLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223658 570318515 /nfs/dbraw/zinc/31/85/15/570318515.db2.gz CWJCSJFMPNTLCT-FQEVSTJZSA-N 1 2 383.492 3.529 40 0 GHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1 ZINC000057669589 570367111 /nfs/dbraw/zinc/36/71/11/570367111.db2.gz PZIBEPXOXXNQOA-OAQYLSRUSA-N 1 2 382.556 3.924 40 0 GHABLO COc1ccc(C(C)(C)C)cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000022931518 570379281 /nfs/dbraw/zinc/37/92/81/570379281.db2.gz CKNZUGLBOGPNPT-UHFFFAOYSA-N 1 2 397.563 3.722 40 0 GHABLO COc1ccc(C(C)(C)C)cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000022931518 570379284 /nfs/dbraw/zinc/37/92/84/570379284.db2.gz CKNZUGLBOGPNPT-UHFFFAOYSA-N 1 2 397.563 3.722 40 0 GHABLO COc1ccc(C(C)(C)C)cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000022931518 570379288 /nfs/dbraw/zinc/37/92/88/570379288.db2.gz CKNZUGLBOGPNPT-UHFFFAOYSA-N 1 2 397.563 3.722 40 0 GHABLO COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000001335849 570569626 /nfs/dbraw/zinc/56/96/26/570569626.db2.gz WVPAFEGFDRXJFX-OAQYLSRUSA-N 1 2 377.492 3.695 40 0 GHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)OC2CCCCC2)cc1 ZINC000001346560 570572627 /nfs/dbraw/zinc/57/26/27/570572627.db2.gz ZYTJAZLHABVYLS-UHFFFAOYSA-N 1 2 398.488 3.792 40 0 GHABLO COc1ccc(C(=O)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)cc1OC ZINC000001380404 570583632 /nfs/dbraw/zinc/58/36/32/570583632.db2.gz LNVGSRGJNKVAGI-UHFFFAOYSA-N 1 2 397.450 3.978 40 0 GHABLO COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000006379390 570741171 /nfs/dbraw/zinc/74/11/71/570741171.db2.gz XREFTZMCOAPGIR-UHFFFAOYSA-N 1 2 390.530 3.644 40 0 GHABLO COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000006379390 570741173 /nfs/dbraw/zinc/74/11/73/570741173.db2.gz XREFTZMCOAPGIR-UHFFFAOYSA-N 1 2 390.530 3.644 40 0 GHABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014398379 570883633 /nfs/dbraw/zinc/88/36/33/570883633.db2.gz NWMXQMQCOXUNSK-BWAMLYQTSA-N 1 2 394.515 3.710 40 0 GHABLO CC(=O)Nc1c2ccccc2[nH]c1C(=O)NCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000019717733 571040570 /nfs/dbraw/zinc/04/05/70/571040570.db2.gz JCNVMHNKMHRKMT-UHFFFAOYSA-N 1 2 389.459 3.592 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328955164 571046854 /nfs/dbraw/zinc/04/68/54/571046854.db2.gz AAKIBAIIACYWCD-HXUWFJFHSA-N 1 2 380.467 3.746 40 0 GHABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 ZINC000019454511 210250341 /nfs/dbraw/zinc/25/03/41/210250341.db2.gz DNLITHZZGAITHH-UHFFFAOYSA-N 1 2 379.416 3.742 40 0 GHABLO Fc1cc(F)cc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329022681 231047314 /nfs/dbraw/zinc/04/73/14/231047314.db2.gz OPKPUANYYAYTLO-UHFFFAOYSA-N 1 2 381.430 3.627 40 0 GHABLO Cc1ccc2[nH]c(CCc3ccc(NC(=O)[C@H](C)Cn4cncn4)cc3)[nH+]c2c1 ZINC000019221547 210232002 /nfs/dbraw/zinc/23/20/02/210232002.db2.gz VZYODTDJOHIOMH-MRXNPFEDSA-N 1 2 388.475 3.523 40 0 GHABLO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)[C@H](C)Cn4cncn4)cc3)[nH]c2c1 ZINC000019221547 210232007 /nfs/dbraw/zinc/23/20/07/210232007.db2.gz VZYODTDJOHIOMH-MRXNPFEDSA-N 1 2 388.475 3.523 40 0 GHABLO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019136137 210227378 /nfs/dbraw/zinc/22/73/78/210227378.db2.gz GWIBRNVPNKFWLL-LAUBAEHRSA-N 1 2 378.520 3.630 40 0 GHABLO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019136137 210227384 /nfs/dbraw/zinc/22/73/84/210227384.db2.gz GWIBRNVPNKFWLL-LAUBAEHRSA-N 1 2 378.520 3.630 40 0 GHABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000016778765 210196796 /nfs/dbraw/zinc/19/67/96/210196796.db2.gz ZAFMDZKVFUCURG-UHFFFAOYSA-N 1 2 381.564 3.531 40 0 GHABLO O=C(NCCCn1cc[nH+]c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012147053 209913225 /nfs/dbraw/zinc/91/32/25/209913225.db2.gz MILABVCFJILWAM-UHFFFAOYSA-N 1 2 389.381 3.861 40 0 GHABLO OCCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328955896 222805961 /nfs/dbraw/zinc/80/59/61/222805961.db2.gz ADMDAAPGPGFOKQ-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257274891 212014402 /nfs/dbraw/zinc/01/44/02/212014402.db2.gz NNBZBFIZJQZPAN-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257274891 212014405 /nfs/dbraw/zinc/01/44/05/212014405.db2.gz NNBZBFIZJQZPAN-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2cnc(C)cn2)n1 ZINC000257209908 212004000 /nfs/dbraw/zinc/00/40/00/212004000.db2.gz BSJPCZIEBCLOJV-IBGZPJMESA-N 1 2 378.480 3.882 40 0 GHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2cnc(C)cn2)n1 ZINC000257209908 212004004 /nfs/dbraw/zinc/00/40/04/212004004.db2.gz BSJPCZIEBCLOJV-IBGZPJMESA-N 1 2 378.480 3.882 40 0 GHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329044393 209157728 /nfs/dbraw/zinc/15/77/28/209157728.db2.gz SWZKPQWXJYDCPV-LJQANCHMSA-N 1 2 397.910 3.655 40 0 GHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1F ZINC000328969995 209154399 /nfs/dbraw/zinc/15/43/99/209154399.db2.gz DIDOIBPZTTUFEW-LJQANCHMSA-N 1 2 396.466 3.886 40 0 GHABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccccn3)o2)c1OC ZINC000072344716 211095243 /nfs/dbraw/zinc/09/52/43/211095243.db2.gz PPAKQXWNTJMLIV-QGZVFWFLSA-N 1 2 380.448 3.876 40 0 GHABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccccn3)o2)c1OC ZINC000072344716 211095246 /nfs/dbraw/zinc/09/52/46/211095246.db2.gz PPAKQXWNTJMLIV-QGZVFWFLSA-N 1 2 380.448 3.876 40 0 GHABLO CCOc1ccccc1OCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260606 211042358 /nfs/dbraw/zinc/04/23/58/211042358.db2.gz LLKKUTHNMUEPLV-UHFFFAOYSA-N 1 2 387.509 3.540 40 0 GHABLO CC(C)C[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504566 136201091 /nfs/dbraw/zinc/20/10/91/136201091.db2.gz PICNEUQWQAQUFN-JOCHJYFZSA-N 1 2 390.535 3.631 40 0 GHABLO CCOc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224145751 136206379 /nfs/dbraw/zinc/20/63/79/136206379.db2.gz CGKIOWNCKRJMLR-UHFFFAOYSA-N 1 2 384.484 3.576 40 0 GHABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320861 560077820 /nfs/dbraw/zinc/07/78/20/560077820.db2.gz JEIFFPJAQVTCOJ-BQFCYCMXSA-N 1 2 387.499 3.862 40 0 biogenic,in-vitro GHABLO Cc1cnc(Nc2cc(C3CCN(C(=O)C=Cc4c[nH]c[nH+]4)CC3)ccn2)s1 ZINC000585291430 570259780 /nfs/dbraw/zinc/25/97/80/570259780.db2.gz OSARGPXSPADXJB-NSCUHMNNSA-N 1 2 394.504 3.733 40 0 GHABLO Cc1ccc(Nc2nc([C@H]3CCCN3C(=O)C=Cc3c[nH]c[nH+]3)cs2)nc1 ZINC000585291809 570260839 /nfs/dbraw/zinc/26/08/39/570260839.db2.gz SVMQKPQOLBMPOO-BIENSFFJSA-N 1 2 380.477 3.690 40 0 GHABLO CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21[NH2+]CCO1 ZINC000022362802 570343201 /nfs/dbraw/zinc/34/32/01/570343201.db2.gz VLKMYKHTGWTPPD-DNQXCXABSA-N 1 2 376.500 3.857 40 0 GHABLO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222905827 570430850 /nfs/dbraw/zinc/43/08/50/570430850.db2.gz UWSUQMHASAPYQL-GOSISDBHSA-N 1 2 378.516 3.889 40 0 GHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000888935 570511334 /nfs/dbraw/zinc/51/13/34/570511334.db2.gz UXBMFGIGRUMXPG-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038857225 570588545 /nfs/dbraw/zinc/58/85/45/570588545.db2.gz SAQPRXMKHCCTKK-UHFFFAOYSA-N 1 2 394.906 3.856 40 0 GHABLO CC(C)(C)n1nnnc1[C@H](c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925553 570649264 /nfs/dbraw/zinc/64/92/64/570649264.db2.gz BDFCRHDZIPSASK-NRFANRHFSA-N 1 2 390.535 3.867 40 0 GHABLO Cc1cccn2cc(-c3cccc(NC(=O)CNC(=O)c4ccccc4)c3)[nH+]c12 ZINC000013568825 570850894 /nfs/dbraw/zinc/85/08/94/570850894.db2.gz BXPBEPOITVXNEU-UHFFFAOYSA-N 1 2 384.439 3.678 40 0 GHABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095533895 860614110 /nfs/dbraw/zinc/61/41/10/860614110.db2.gz DCAITSWQYFWDFT-FQEVSTJZSA-N 1 2 396.491 3.747 40 0 GHABLO Cc1[nH+]ccn1Cc1ccccc1C(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000019288246 210238276 /nfs/dbraw/zinc/23/82/76/210238276.db2.gz IKUUZCHBMDTXHM-UHFFFAOYSA-N 1 2 393.878 3.742 40 0 GHABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc(Cl)c1 ZINC000018165372 210215492 /nfs/dbraw/zinc/21/54/92/210215492.db2.gz ZYIUFHFRHWJZGJ-UHFFFAOYSA-N 1 2 375.925 3.659 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccncc5)CCN4C)nnn3c2)cc1 ZINC000306142138 212055201 /nfs/dbraw/zinc/05/52/01/212055201.db2.gz WQXLQHIDYHXZEM-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccncc5)CCN4C)nnn3c2)cc1 ZINC000306142138 212055205 /nfs/dbraw/zinc/05/52/05/212055205.db2.gz WQXLQHIDYHXZEM-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306139998 212053379 /nfs/dbraw/zinc/05/33/79/212053379.db2.gz UGKFTUPZUOJXOQ-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306139998 212053382 /nfs/dbraw/zinc/05/33/82/212053382.db2.gz UGKFTUPZUOJXOQ-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306138558 212052994 /nfs/dbraw/zinc/05/29/94/212052994.db2.gz SAVKSTMRTRPJMA-GHTZIAJQSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306138558 212052999 /nfs/dbraw/zinc/05/29/99/212052999.db2.gz SAVKSTMRTRPJMA-GHTZIAJQSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(Cc2cnn(C(C)C)c2)C4)cc1 ZINC000306127922 212046948 /nfs/dbraw/zinc/04/69/48/212046948.db2.gz GKSUKHMOLNMSPO-UHFFFAOYSA-N 1 2 388.519 3.984 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306124813 212045195 /nfs/dbraw/zinc/04/51/95/212045195.db2.gz CAAXBWUSVDOEJC-WIYYLYMNSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306124813 212045197 /nfs/dbraw/zinc/04/51/97/212045197.db2.gz CAAXBWUSVDOEJC-WIYYLYMNSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000257285000 212017668 /nfs/dbraw/zinc/01/76/68/212017668.db2.gz PFFGSWYUAIUZLM-DEOSSOPVSA-N 1 2 390.531 3.905 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000257285000 212017671 /nfs/dbraw/zinc/01/76/71/212017671.db2.gz PFFGSWYUAIUZLM-DEOSSOPVSA-N 1 2 390.531 3.905 40 0 GHABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329029748 209158385 /nfs/dbraw/zinc/15/83/85/209158385.db2.gz QASZLKPPKUTWPM-FQEVSTJZSA-N 1 2 392.503 3.615 40 0 GHABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n1C ZINC000257241989 212009414 /nfs/dbraw/zinc/00/94/14/212009414.db2.gz IANZBJDTWWHPRY-QGZVFWFLSA-N 1 2 381.524 3.547 40 0 GHABLO CC[C@H](C)Nc1nc(Nc2cc(OC)cc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329069748 209159556 /nfs/dbraw/zinc/15/95/56/209159556.db2.gz ZANBGERWKWBEME-HNNXBMFYSA-N 1 2 378.476 3.959 40 0 GHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2cnc(C)cn2)n1 ZINC000257209909 212003667 /nfs/dbraw/zinc/00/36/67/212003667.db2.gz BSJPCZIEBCLOJV-LJQANCHMSA-N 1 2 378.480 3.882 40 0 GHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2cnc(C)cn2)n1 ZINC000257209909 212003671 /nfs/dbraw/zinc/00/36/71/212003671.db2.gz BSJPCZIEBCLOJV-LJQANCHMSA-N 1 2 378.480 3.882 40 0 GHABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000329016852 209157324 /nfs/dbraw/zinc/15/73/24/209157324.db2.gz NIXHXMSFJARLEC-UHFFFAOYSA-N 1 2 382.386 3.521 40 0 GHABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000329003388 209155140 /nfs/dbraw/zinc/15/51/40/209155140.db2.gz KMJNZKVUZYIHAQ-UHFFFAOYSA-N 1 2 389.503 3.748 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000328964269 209154214 /nfs/dbraw/zinc/15/42/14/209154214.db2.gz BULGMGGIMRBTRF-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO CC(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328958501 209154223 /nfs/dbraw/zinc/15/42/23/209154223.db2.gz APLAIAYLBHLVFZ-UHFFFAOYSA-N 1 2 389.503 3.966 40 0 GHABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1cccs1)N(Cc1ccccc1)CC2 ZINC000096265012 211327213 /nfs/dbraw/zinc/32/72/13/211327213.db2.gz JBPJBZPLIIMXOZ-NRFANRHFSA-N 1 2 394.544 3.941 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378880 211105774 /nfs/dbraw/zinc/10/57/74/211105774.db2.gz SHCSPQJEKXLNIX-SFHVURJKSA-N 1 2 375.476 3.806 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355333 211099275 /nfs/dbraw/zinc/09/92/75/211099275.db2.gz KEBKICIFFTXZLM-SFHVURJKSA-N 1 2 375.476 3.806 40 0 GHABLO CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3[nH+]c2N2CCCCC2)C1=O ZINC000021581186 210385354 /nfs/dbraw/zinc/38/53/54/210385354.db2.gz GCFSVCIJIVHFOK-NLUKZUHQSA-N 1 2 394.500 3.931 40 0 GHABLO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)c2C1 ZINC000019716182 210287711 /nfs/dbraw/zinc/28/77/11/210287711.db2.gz KCWAZPXUDKXJEE-QGZVFWFLSA-N 1 2 396.535 3.569 40 0 GHABLO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)c2C1 ZINC000019716182 210287715 /nfs/dbraw/zinc/28/77/15/210287715.db2.gz KCWAZPXUDKXJEE-QGZVFWFLSA-N 1 2 396.535 3.569 40 0 GHABLO COc1ccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000219860332 136204470 /nfs/dbraw/zinc/20/44/70/136204470.db2.gz WZJWRGDUOZDNDN-UHFFFAOYSA-N 1 2 398.503 3.554 40 0 GHABLO COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccccc1)C[N@@H+](C)CC2 ZINC000408563387 533703161 /nfs/dbraw/zinc/70/31/61/533703161.db2.gz MGQFJWLKRVJDRX-LBPRGKRZSA-N 1 2 390.530 3.642 40 0 GHABLO COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccccc1)C[N@H+](C)CC2 ZINC000408563387 533703171 /nfs/dbraw/zinc/70/31/71/533703171.db2.gz MGQFJWLKRVJDRX-LBPRGKRZSA-N 1 2 390.530 3.642 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000226255352 536529168 /nfs/dbraw/zinc/52/91/68/536529168.db2.gz FFDXJZHFQKCJJG-UHFFFAOYSA-N 1 2 399.491 3.783 40 0 GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](Cc2cccs2)C1 ZINC000015675130 560095053 /nfs/dbraw/zinc/09/50/53/560095053.db2.gz GLTGRPVMOOJLMR-CJNGLKHVSA-N 1 2 393.871 3.822 40 0 biogenic,in-vitro GHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](Cc2cccs2)C1 ZINC000015675130 560095055 /nfs/dbraw/zinc/09/50/55/560095055.db2.gz GLTGRPVMOOJLMR-CJNGLKHVSA-N 1 2 393.871 3.822 40 0 biogenic,in-vitro GHABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015675506 560095691 /nfs/dbraw/zinc/09/56/91/560095691.db2.gz IYJYNULMIPBHKO-FQEVSTJZSA-N 1 2 387.443 3.768 40 0 biogenic,in-vitro GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000072216051 570316991 /nfs/dbraw/zinc/31/69/91/570316991.db2.gz SZZSEYQPNMIJJQ-HXUWFJFHSA-N 1 2 385.533 3.906 40 0 GHABLO CC(C)C[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670198 570367935 /nfs/dbraw/zinc/36/79/35/570367935.db2.gz SGOWZXSEGSBGHL-QGZVFWFLSA-N 1 2 399.568 3.773 40 0 GHABLO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000024378737 570383014 /nfs/dbraw/zinc/38/30/14/570383014.db2.gz VGPGZISLWBHVHL-UHFFFAOYSA-N 1 2 396.531 3.646 40 0 GHABLO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004861654 570413345 /nfs/dbraw/zinc/41/33/45/570413345.db2.gz BVXMDSNCCAOGSA-QGZVFWFLSA-N 1 2 383.517 3.814 40 0 GHABLO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000004861654 570413349 /nfs/dbraw/zinc/41/33/49/570413349.db2.gz BVXMDSNCCAOGSA-QGZVFWFLSA-N 1 2 383.517 3.814 40 0 GHABLO CCCCOc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224352468 570450152 /nfs/dbraw/zinc/45/01/52/570450152.db2.gz HUJBBCSWJGQTJZ-UHFFFAOYSA-N 1 2 383.496 3.574 40 0 GHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C(C)C)c3ccccc3)CC2)c1C ZINC000035290675 570457789 /nfs/dbraw/zinc/45/77/89/570457789.db2.gz BYHKRSDAIDVNCJ-JOCHJYFZSA-N 1 2 390.535 3.782 40 0 GHABLO O=C(Nc1ccc(Br)cc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030751172 570494318 /nfs/dbraw/zinc/49/43/18/570494318.db2.gz MJPJMKMTCWLREI-UHFFFAOYSA-N 1 2 393.256 3.673 40 0 GHABLO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224069462 570497205 /nfs/dbraw/zinc/49/72/05/570497205.db2.gz ZMZBOPSSIQQTNJ-QPJJXVBHSA-N 1 2 391.446 3.952 40 0 GHABLO CC1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000001330495 570567901 /nfs/dbraw/zinc/56/79/01/570567901.db2.gz KIKDLXBYVIQQNU-OAQYLSRUSA-N 1 2 379.483 3.876 40 0 GHABLO CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000225454556 570575885 /nfs/dbraw/zinc/57/58/85/570575885.db2.gz IFIVYEFMYTXIMV-UHFFFAOYSA-N 1 2 394.500 3.844 40 0 GHABLO O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000012143748 570615458 /nfs/dbraw/zinc/61/54/58/570615458.db2.gz ISYDRWOUWBMMKS-UHFFFAOYSA-N 1 2 393.447 3.765 40 0 GHABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004858901 570639274 /nfs/dbraw/zinc/63/92/74/570639274.db2.gz RNPZTLBQSNQCSY-UHFFFAOYSA-N 1 2 391.515 3.820 40 0 GHABLO C[NH+](C)Cc1cc(C2CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)n[nH]1 ZINC000019708927 856425650 /nfs/dbraw/zinc/42/56/50/856425650.db2.gz WRCDFDLDTHZNAS-UHFFFAOYSA-N 1 2 385.512 3.527 40 0 GHABLO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 ZINC000019565087 210266222 /nfs/dbraw/zinc/26/62/22/210266222.db2.gz MVUVMOPJEYWDHR-OAHLLOKOSA-N 1 2 394.924 3.527 40 0 GHABLO COc1cccc(C[N@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 ZINC000019565087 210266226 /nfs/dbraw/zinc/26/62/26/210266226.db2.gz MVUVMOPJEYWDHR-OAHLLOKOSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc(SCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000015519787 210158626 /nfs/dbraw/zinc/15/86/26/210158626.db2.gz NUIFOHALEBJZPI-VMPITWQZSA-N 1 2 382.529 3.645 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306130541 212047258 /nfs/dbraw/zinc/04/72/58/212047258.db2.gz JJBDBLLMPFJKII-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306130541 212047261 /nfs/dbraw/zinc/04/72/61/212047261.db2.gz JJBDBLLMPFJKII-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=C1NC2(CC[NH+](Cc3nccs3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306130998 212048968 /nfs/dbraw/zinc/04/89/68/212048968.db2.gz JUKILHVTSNEEHF-UHFFFAOYSA-N 1 2 382.514 3.501 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306130785 212048223 /nfs/dbraw/zinc/04/82/23/212048223.db2.gz JPHWQYBFLPDZDM-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306130785 212048228 /nfs/dbraw/zinc/04/82/28/212048228.db2.gz JPHWQYBFLPDZDM-UYAOXDASSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306128502 212046525 /nfs/dbraw/zinc/04/65/25/212046525.db2.gz HCJRLXOMINORPK-HSZRJFAPSA-N 1 2 399.498 3.982 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306128502 212046529 /nfs/dbraw/zinc/04/65/29/212046529.db2.gz HCJRLXOMINORPK-HSZRJFAPSA-N 1 2 399.498 3.982 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306126189 212045147 /nfs/dbraw/zinc/04/51/47/212045147.db2.gz DPCNZDCLKRZQAY-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306126189 212045154 /nfs/dbraw/zinc/04/51/54/212045154.db2.gz DPCNZDCLKRZQAY-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO Brc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329072567 209162236 /nfs/dbraw/zinc/16/22/36/209162236.db2.gz ZZUPOTHINJQRGQ-UHFFFAOYSA-N 1 2 395.304 3.936 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 ZINC000257236142 212008133 /nfs/dbraw/zinc/00/81/33/212008133.db2.gz HAYSFZZANUAPDB-DEOSSOPVSA-N 1 2 390.531 3.905 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 ZINC000257236142 212008137 /nfs/dbraw/zinc/00/81/37/212008137.db2.gz HAYSFZZANUAPDB-DEOSSOPVSA-N 1 2 390.531 3.905 40 0 GHABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)Nc1cccnc1)N(Cc1ccccc1)CC2 ZINC000096037491 211296008 /nfs/dbraw/zinc/29/60/08/211296008.db2.gz KGDLGXKUTSHDRJ-NRFANRHFSA-N 1 2 375.476 3.597 40 0 GHABLO Cc1cccc2c(C[C@@H](C)NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)c[nH]c21 ZINC000072390299 211108518 /nfs/dbraw/zinc/10/85/18/211108518.db2.gz MQWTWUIKHWZJOG-GOSISDBHSA-N 1 2 391.515 3.670 40 0 GHABLO COc1ccc(Oc2cc(C)nc([C@H]3CCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000072384183 211108392 /nfs/dbraw/zinc/10/83/92/211108392.db2.gz HWVBKKQZZXWGJP-GOSISDBHSA-N 1 2 379.464 3.657 40 0 GHABLO O=C(Nc1cccc(Br)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020488866 210339129 /nfs/dbraw/zinc/33/91/29/210339129.db2.gz LWKNPGPNUDLXOG-UHFFFAOYSA-N 1 2 375.266 3.534 40 0 GHABLO Cc1cc2[nH]c(CCNC(=O)c3cc(-n4cccn4)ccc3Cl)[nH+]c2cc1C ZINC000019715139 210286317 /nfs/dbraw/zinc/28/63/17/210286317.db2.gz PIIAFCXBRTUJSS-UHFFFAOYSA-N 1 2 393.878 3.991 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2cn(C)nc2C)cs1 ZINC000019718470 210288798 /nfs/dbraw/zinc/28/87/98/210288798.db2.gz GHYZPWNBJCHICQ-CYBMUJFWSA-N 1 2 394.504 3.964 40 0 GHABLO Cc1nn2c(nc3c(c2NCCCn2cc[nH+]c2)CCC3)c1-c1cccs1 ZINC000019582115 210270332 /nfs/dbraw/zinc/27/03/32/210270332.db2.gz HWWHFEOQUJXHMU-UHFFFAOYSA-N 1 2 378.505 3.954 40 0 GHABLO COCCC(=O)N1CCC[C@@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 ZINC000019570128 210268280 /nfs/dbraw/zinc/26/82/80/210268280.db2.gz TWVZLRMKMYATEV-GOSISDBHSA-N 1 2 397.519 3.991 40 0 GHABLO Cc1cc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)n(C)c2cc1C ZINC000013564241 136201153 /nfs/dbraw/zinc/20/11/53/136201153.db2.gz VLEXCOWBYDUZMA-QFIPXVFZSA-N 1 2 391.515 3.729 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000219865849 136204399 /nfs/dbraw/zinc/20/43/99/136204399.db2.gz WZCWMMOBCGPACP-UHFFFAOYSA-N 1 2 376.460 3.578 40 0 GHABLO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219858031 535153802 /nfs/dbraw/zinc/15/38/02/535153802.db2.gz PIGKNDIXVZYFKP-UHFFFAOYSA-N 1 2 379.504 3.990 40 0 GHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)c1 ZINC000035425065 560080838 /nfs/dbraw/zinc/08/08/38/560080838.db2.gz HFBWIDMYSWEEMP-IBGZPJMESA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)c1 ZINC000035425065 560080839 /nfs/dbraw/zinc/08/08/39/560080839.db2.gz HFBWIDMYSWEEMP-IBGZPJMESA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO CC(C)Sc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020612869 570280839 /nfs/dbraw/zinc/28/08/39/570280839.db2.gz PFYUQRKMSMUNMC-UHFFFAOYSA-N 1 2 398.528 3.874 40 0 GHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670566 570368357 /nfs/dbraw/zinc/36/83/57/570368357.db2.gz KTVOLNSZIMIXHC-NRFANRHFSA-N 1 2 390.535 3.612 40 0 GHABLO COC(=O)c1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1C ZINC000224977480 570540846 /nfs/dbraw/zinc/54/08/46/570540846.db2.gz OBSAJDQGCDWLSX-UHFFFAOYSA-N 1 2 388.489 3.573 40 0 GHABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225118502 570550049 /nfs/dbraw/zinc/55/00/49/570550049.db2.gz OOMSUTWXEHQUMH-KRWDZBQOSA-N 1 2 375.472 3.835 40 0 GHABLO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038862784 570588995 /nfs/dbraw/zinc/58/89/95/570588995.db2.gz YYSHAYCVNAXNRY-INIZCTEOSA-N 1 2 376.460 3.712 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccc2F)CC1 ZINC000012116382 570610969 /nfs/dbraw/zinc/61/09/69/570610969.db2.gz JPFOSIUQHYISEI-UHFFFAOYSA-N 1 2 380.467 3.728 40 0 GHABLO O=C(NCCCn1cc[nH+]c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000044845751 570635119 /nfs/dbraw/zinc/63/51/19/570635119.db2.gz KSCMQLPKMVXXLO-UHFFFAOYSA-N 1 2 381.501 3.874 40 0 GHABLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044883059 570638661 /nfs/dbraw/zinc/63/86/61/570638661.db2.gz BKMJEHYFWNUWHV-RGFVMQALSA-N 1 2 378.516 3.874 40 0 GHABLO CC(C)C[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670210 570702832 /nfs/dbraw/zinc/70/28/32/570702832.db2.gz TZHKRJCKNNDDAQ-GOSISDBHSA-N 1 2 376.936 3.817 40 0 GHABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC ZINC000019568007 210265784 /nfs/dbraw/zinc/26/57/84/210265784.db2.gz IKIFXCVIPYVSHE-OAQYLSRUSA-N 1 2 382.435 3.965 40 0 GHABLO COc1cccc(C[N@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC ZINC000019568007 210265790 /nfs/dbraw/zinc/26/57/90/210265790.db2.gz IKIFXCVIPYVSHE-OAQYLSRUSA-N 1 2 382.435 3.965 40 0 GHABLO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000019552086 210260971 /nfs/dbraw/zinc/26/09/71/210260971.db2.gz IBWZRUFVUKRAMN-YLJYHZDGSA-N 1 2 395.503 3.679 40 0 GHABLO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019533277 210260168 /nfs/dbraw/zinc/26/01/68/210260168.db2.gz JBDULKQGYZJBJO-JOCHJYFZSA-N 1 2 394.519 3.507 40 0 GHABLO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019533277 210260171 /nfs/dbraw/zinc/26/01/71/210260171.db2.gz JBDULKQGYZJBJO-JOCHJYFZSA-N 1 2 394.519 3.507 40 0 GHABLO CC(=O)Oc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453635 210250353 /nfs/dbraw/zinc/25/03/53/210250353.db2.gz GMZOZLQXADVDLD-UHFFFAOYSA-N 1 2 394.519 3.684 40 0 GHABLO CC(=O)Oc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453635 210250356 /nfs/dbraw/zinc/25/03/56/210250356.db2.gz GMZOZLQXADVDLD-UHFFFAOYSA-N 1 2 394.519 3.684 40 0 GHABLO c1ccc(Nc2nc(N3CCCC3)nc3c2C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019373016 210245655 /nfs/dbraw/zinc/24/56/55/210245655.db2.gz DFQJCTBXMQXJIY-UHFFFAOYSA-N 1 2 386.503 3.774 40 0 GHABLO c1ccc(Nc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019373016 210245660 /nfs/dbraw/zinc/24/56/60/210245660.db2.gz DFQJCTBXMQXJIY-UHFFFAOYSA-N 1 2 386.503 3.774 40 0 GHABLO COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000409243241 231186479 /nfs/dbraw/zinc/18/64/79/231186479.db2.gz QYPVLELSSLFCIY-NBVRZTHBSA-N 1 2 385.489 3.616 40 0 GHABLO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019349956 210243688 /nfs/dbraw/zinc/24/36/88/210243688.db2.gz JBTWYULLUMZOFM-MOPGFXCFSA-N 1 2 395.503 3.885 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 ZINC000019292651 210239757 /nfs/dbraw/zinc/23/97/57/210239757.db2.gz BSWQBCHLMYHUNN-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 ZINC000019292651 210239761 /nfs/dbraw/zinc/23/97/61/210239761.db2.gz BSWQBCHLMYHUNN-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2cccc(F)c2)CC1 ZINC000012116410 209910708 /nfs/dbraw/zinc/91/07/08/209910708.db2.gz KZVXEFIWEUQJIF-UHFFFAOYSA-N 1 2 394.494 3.771 40 0 GHABLO CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CC[NH+](C)CC2)cc1 ZINC000008048421 209759568 /nfs/dbraw/zinc/75/95/68/209759568.db2.gz CEADAUOJICQDJJ-FCQUAONHSA-N 1 2 394.544 3.731 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306141142 212053677 /nfs/dbraw/zinc/05/36/77/212053677.db2.gz VMCLTYFXCYAYDP-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306141142 212053680 /nfs/dbraw/zinc/05/36/80/212053680.db2.gz VMCLTYFXCYAYDP-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257337502 212027966 /nfs/dbraw/zinc/02/79/66/212027966.db2.gz YTAUAGXEDVVGSD-JOCHJYFZSA-N 1 2 392.478 3.922 40 0 GHABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257337502 212027969 /nfs/dbraw/zinc/02/79/69/212027969.db2.gz YTAUAGXEDVVGSD-JOCHJYFZSA-N 1 2 392.478 3.922 40 0 GHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257327527 212026510 /nfs/dbraw/zinc/02/65/10/212026510.db2.gz XBRZPUREGFPXSA-OAQYLSRUSA-N 1 2 382.895 3.633 40 0 GHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257327527 212026513 /nfs/dbraw/zinc/02/65/13/212026513.db2.gz XBRZPUREGFPXSA-OAQYLSRUSA-N 1 2 382.895 3.633 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000257285001 212018236 /nfs/dbraw/zinc/01/82/36/212018236.db2.gz PFFGSWYUAIUZLM-XMMPIXPASA-N 1 2 390.531 3.905 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000257285001 212018242 /nfs/dbraw/zinc/01/82/42/212018242.db2.gz PFFGSWYUAIUZLM-XMMPIXPASA-N 1 2 390.531 3.905 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000257275472 212017013 /nfs/dbraw/zinc/01/70/13/212017013.db2.gz NPOLPRXMUIBQID-JOCHJYFZSA-N 1 2 399.441 3.883 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000257275472 212017017 /nfs/dbraw/zinc/01/70/17/212017017.db2.gz NPOLPRXMUIBQID-JOCHJYFZSA-N 1 2 399.441 3.883 40 0 GHABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3ccccc3F)CC2)ccn1 ZINC000257232324 212006989 /nfs/dbraw/zinc/00/69/89/212006989.db2.gz GKJUDDQUNWKLPD-UHFFFAOYSA-N 1 2 378.451 3.716 40 0 GHABLO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NC1CC1 ZINC000096079985 211301168 /nfs/dbraw/zinc/30/11/68/211301168.db2.gz VMKQYCPOBNNNTE-INIZCTEOSA-N 1 2 397.544 3.713 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072378871 211106547 /nfs/dbraw/zinc/10/65/47/211106547.db2.gz DGQJLOKIKPQJBE-GOSISDBHSA-N 1 2 375.476 3.806 40 0 GHABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378528 211105969 /nfs/dbraw/zinc/10/59/69/211105969.db2.gz JYSFASCCXSMSRD-LJQANCHMSA-N 1 2 375.476 3.521 40 0 GHABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378559 211105012 /nfs/dbraw/zinc/10/50/12/211105012.db2.gz PEWXGLYPBSNAIA-HXUWFJFHSA-N 1 2 389.503 3.911 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378923 211104786 /nfs/dbraw/zinc/10/47/86/211104786.db2.gz ZVBYMUDBLQTWGZ-SFHVURJKSA-N 1 2 392.478 3.918 40 0 GHABLO Cc1nccc(-c2ccc(-c3noc(CN4CC[C@H]5CCCC[N@@H+]5C4)n3)cc2)n1 ZINC000072339981 211093249 /nfs/dbraw/zinc/09/32/49/211093249.db2.gz SWDMXWCPUJACRI-LJQANCHMSA-N 1 2 390.491 3.520 40 0 GHABLO Cc1nccc(-c2ccc(-c3noc(CN4CC[C@H]5CCCC[N@H+]5C4)n3)cc2)n1 ZINC000072339981 211093254 /nfs/dbraw/zinc/09/32/54/211093254.db2.gz SWDMXWCPUJACRI-LJQANCHMSA-N 1 2 390.491 3.520 40 0 GHABLO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 ZINC000072358598 211099395 /nfs/dbraw/zinc/09/93/95/211099395.db2.gz KJPAPYBUBKSJLD-HNNXBMFYSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 ZINC000072358598 211099398 /nfs/dbraw/zinc/09/93/98/211099398.db2.gz KJPAPYBUBKSJLD-HNNXBMFYSA-N 1 2 397.479 3.557 40 0 GHABLO Oc1cccc(-c2cc(CC3([NH2+]Cc4cc5ccccc5o4)COC3)no2)c1 ZINC000067898336 210333918 /nfs/dbraw/zinc/33/39/18/210333918.db2.gz RHBGLSOPHKNBAL-UHFFFAOYSA-N 1 2 376.412 3.895 40 0 biogenic,in-vitro GHABLO Cc1ccc(OCCn2c[nH+]cc2-c2cnc(N3CCOCC3)s2)c(C)c1 ZINC000019719541 210289073 /nfs/dbraw/zinc/28/90/73/210289073.db2.gz XFVNLEGIEGTLIK-UHFFFAOYSA-N 1 2 384.505 3.539 40 0 GHABLO Cc1noc(CCC(=O)Nc2ccc(Cc3[nH]c4ccc(C)cc4[nH+]3)cc2)n1 ZINC000019719230 210288501 /nfs/dbraw/zinc/28/85/01/210288501.db2.gz YMZBOXBNYPALQT-UHFFFAOYSA-N 1 2 375.432 3.725 40 0 GHABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328985381 570210686 /nfs/dbraw/zinc/21/06/86/570210686.db2.gz HTHYEACAGOPVSS-UHFFFAOYSA-N 1 2 399.292 3.784 40 0 GHABLO C[C@H](CN1CC[NH+](C[C@@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000022581560 570434445 /nfs/dbraw/zinc/43/44/45/570434445.db2.gz GIGZBFNCAMWHDI-WOJBJXKFSA-N 1 2 378.516 3.642 40 0 GHABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035314281 570468528 /nfs/dbraw/zinc/46/85/28/570468528.db2.gz WPOXUPZADSSKMW-UHFFFAOYSA-N 1 2 391.443 3.649 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000012116411 570611052 /nfs/dbraw/zinc/61/10/52/570611052.db2.gz OFLMJLWSDAMLLR-UHFFFAOYSA-N 1 2 394.494 3.771 40 0 GHABLO CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000019502387 210254302 /nfs/dbraw/zinc/25/43/02/210254302.db2.gz GGRYXAODZAVAEB-AWEZNQCLSA-N 1 2 398.536 3.575 40 0 GHABLO CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000019502387 210254306 /nfs/dbraw/zinc/25/43/06/210254306.db2.gz GGRYXAODZAVAEB-AWEZNQCLSA-N 1 2 398.536 3.575 40 0 GHABLO COC(=O)c1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453629 210250178 /nfs/dbraw/zinc/25/01/78/210250178.db2.gz IGAMRUOHRVWYCJ-UHFFFAOYSA-N 1 2 394.519 3.545 40 0 GHABLO COC(=O)c1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453629 210250180 /nfs/dbraw/zinc/25/01/80/210250180.db2.gz IGAMRUOHRVWYCJ-UHFFFAOYSA-N 1 2 394.519 3.545 40 0 GHABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000057720107 209212819 /nfs/dbraw/zinc/21/28/19/209212819.db2.gz ZXHYMIIIMPRDIU-UHFFFAOYSA-N 1 2 397.519 3.635 40 0 GHABLO COc1ncccc1CN1CCc2c(n3cc(-c4ccc(C)cc4)[nH+]c3n2C)C1 ZINC000306140454 212053709 /nfs/dbraw/zinc/05/37/09/212053709.db2.gz UUBPZIMWARHZPD-UHFFFAOYSA-N 1 2 387.487 3.610 40 0 GHABLO Cc1nc(C(=O)N2CC[C@@]3(Cc4[nH+]cc(-c5ccc(F)cc5)n4C3)C2)cs1 ZINC000306139651 212053777 /nfs/dbraw/zinc/05/37/77/212053777.db2.gz TWPKEOKAWXMKHN-HXUWFJFHSA-N 1 2 382.464 3.543 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306138395 212053509 /nfs/dbraw/zinc/05/35/09/212053509.db2.gz RWKIDDQKGHFJSW-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306138395 212053511 /nfs/dbraw/zinc/05/35/11/212053511.db2.gz RWKIDDQKGHFJSW-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306133549 212051659 /nfs/dbraw/zinc/05/16/59/212051659.db2.gz MPGUMEQEFRZYBW-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306133549 212051662 /nfs/dbraw/zinc/05/16/62/212051662.db2.gz MPGUMEQEFRZYBW-UNMCSNQZSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cnn1C ZINC000257327981 212026685 /nfs/dbraw/zinc/02/66/85/212026685.db2.gz XDQYCNBLKXXWPU-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cnn1C ZINC000257327981 212026698 /nfs/dbraw/zinc/02/66/98/212026698.db2.gz XDQYCNBLKXXWPU-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 ZINC000257324203 212026153 /nfs/dbraw/zinc/02/61/53/212026153.db2.gz WNRBTDNJQLIRSN-QHCPKHFHSA-N 1 2 376.504 3.771 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 ZINC000257324203 212026159 /nfs/dbraw/zinc/02/61/59/212026159.db2.gz WNRBTDNJQLIRSN-QHCPKHFHSA-N 1 2 376.504 3.771 40 0 GHABLO CNc1cc([C@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000257310563 212022017 /nfs/dbraw/zinc/02/20/17/212022017.db2.gz UFQBCMYXJZGJLT-OAQYLSRUSA-N 1 2 387.483 3.723 40 0 GHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc[nH+]1 ZINC000257267905 212014459 /nfs/dbraw/zinc/01/44/59/212014459.db2.gz MJJMPCXUJHDMRC-FQEVSTJZSA-N 1 2 397.494 3.965 40 0 GHABLO C[C@H](CCc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257261839 212013276 /nfs/dbraw/zinc/01/32/76/212013276.db2.gz LIYXSCZFGXPUDL-OAHLLOKOSA-N 1 2 376.508 3.771 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329054847 209160299 /nfs/dbraw/zinc/16/02/99/209160299.db2.gz VMDFQDWMTBWMAP-LBPRGKRZSA-N 1 2 389.286 3.831 40 0 GHABLO CN(C)c1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)cc[nH+]1 ZINC000257242785 212009419 /nfs/dbraw/zinc/00/94/19/212009419.db2.gz IECYMHXFDXEITK-OAQYLSRUSA-N 1 2 393.531 3.851 40 0 GHABLO CC(C)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329067637 209159492 /nfs/dbraw/zinc/15/94/92/209159492.db2.gz YJRAGFKIQYHICC-UHFFFAOYSA-N 1 2 392.381 3.911 40 0 GHABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257219978 212005606 /nfs/dbraw/zinc/00/56/06/212005606.db2.gz DJAVTGQWZXROHT-QGZVFWFLSA-N 1 2 393.466 3.532 40 0 GHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)nc1 ZINC000072353398 211097479 /nfs/dbraw/zinc/09/74/79/211097479.db2.gz BUZQRHGTFTULRQ-QGZVFWFLSA-N 1 2 388.475 3.526 40 0 GHABLO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000072324222 211090371 /nfs/dbraw/zinc/09/03/71/211090371.db2.gz OHWSKPHQBZTGDS-HUUCEWRRSA-N 1 2 382.439 3.544 40 0 GHABLO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000072324222 211090373 /nfs/dbraw/zinc/09/03/73/211090373.db2.gz OHWSKPHQBZTGDS-HUUCEWRRSA-N 1 2 382.439 3.544 40 0 GHABLO COc1ccc(CCn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)cc1C ZINC000019719971 210289817 /nfs/dbraw/zinc/28/98/17/210289817.db2.gz VBFYQNFBZOLALB-UHFFFAOYSA-N 1 2 390.487 3.609 40 0 GHABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CC1(c2ccc(C)cc2)CCOCC1 ZINC000019719692 210289438 /nfs/dbraw/zinc/28/94/38/210289438.db2.gz YZIQQWBAXFFTFX-UHFFFAOYSA-N 1 2 394.475 3.507 40 0 GHABLO CCc1[nH+]c2ccccc2n1CCC(=O)Nc1nc(-c2cnn(C)c2C)cs1 ZINC000019665822 210279391 /nfs/dbraw/zinc/27/93/91/210279391.db2.gz ASTLXCLVTUOZEV-UHFFFAOYSA-N 1 2 394.504 3.793 40 0 GHABLO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc12 ZINC000013563061 136201286 /nfs/dbraw/zinc/20/12/86/136201286.db2.gz LRRYKQISDRHQSB-FQEVSTJZSA-N 1 2 377.488 3.718 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000219866404 136204316 /nfs/dbraw/zinc/20/43/16/136204316.db2.gz OOGNEKNURIXDIK-UHFFFAOYSA-N 1 2 390.487 3.920 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329043095 570214466 /nfs/dbraw/zinc/21/44/66/570214466.db2.gz SRICCEDBZCQYQY-CYBMUJFWSA-N 1 2 388.393 3.543 40 0 GHABLO CC(C)C[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669626 570367120 /nfs/dbraw/zinc/36/71/20/570367120.db2.gz IJJTXVLTYBRQSS-HXUWFJFHSA-N 1 2 386.519 3.837 40 0 GHABLO COc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000224732994 570527705 /nfs/dbraw/zinc/52/77/05/570527705.db2.gz SOCJJBTXJCXRSK-RMKNXTFCSA-N 1 2 378.516 3.794 40 0 GHABLO COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(C)C ZINC000225171168 570553529 /nfs/dbraw/zinc/55/35/29/570553529.db2.gz RMJJJRVFNDQPNS-UHFFFAOYSA-N 1 2 399.516 3.791 40 0 GHABLO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038862779 570589043 /nfs/dbraw/zinc/58/90/43/570589043.db2.gz YYSHAYCVNAXNRY-MRXNPFEDSA-N 1 2 376.460 3.712 40 0 GHABLO Cc1csc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)[nH+]c(C)n12 ZINC000012087557 570606540 /nfs/dbraw/zinc/60/65/40/570606540.db2.gz FAPAIQGLGCUVGR-UHFFFAOYSA-N 1 2 393.509 3.720 40 0 GHABLO Fc1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)[NH+]2CCCC2)cc1 ZINC000004230576 570624534 /nfs/dbraw/zinc/62/45/34/570624534.db2.gz CZJZCVQNVAPXQT-NRFANRHFSA-N 1 2 388.450 3.594 40 0 GHABLO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044855716 570636670 /nfs/dbraw/zinc/63/66/70/570636670.db2.gz LIHSTILLYMHUQH-HXUWFJFHSA-N 1 2 391.471 3.972 40 0 GHABLO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044855422 570636755 /nfs/dbraw/zinc/63/67/55/570636755.db2.gz SYJXXSLIEOCCPG-OAQYLSRUSA-N 1 2 394.515 3.859 40 0 GHABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000017077632 570916927 /nfs/dbraw/zinc/91/69/27/570916927.db2.gz DOUMANHLGBMNAV-VMPITWQZSA-N 1 2 379.529 3.917 40 0 GHABLO Fc1cccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306131517 212049853 /nfs/dbraw/zinc/04/98/53/212049853.db2.gz KHJYALGPDTTWQX-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1cccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306131517 212049856 /nfs/dbraw/zinc/04/98/56/212049856.db2.gz KHJYALGPDTTWQX-OAQYLSRUSA-N 1 2 389.434 3.504 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125074 212043992 /nfs/dbraw/zinc/04/39/92/212043992.db2.gz CGGADPSHNCPTJG-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125074 212044000 /nfs/dbraw/zinc/04/40/00/212044000.db2.gz CGGADPSHNCPTJG-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 ZINC000257329617 212025297 /nfs/dbraw/zinc/02/52/97/212025297.db2.gz XKTFZZZXOKOMBH-GOSISDBHSA-N 1 2 385.468 3.698 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 ZINC000257329617 212025302 /nfs/dbraw/zinc/02/53/02/212025302.db2.gz XKTFZZZXOKOMBH-GOSISDBHSA-N 1 2 385.468 3.698 40 0 GHABLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257330113 212026458 /nfs/dbraw/zinc/02/64/58/212026458.db2.gz XMXBJKDRHIQJJO-GMAHTHKFSA-N 1 2 382.504 3.653 40 0 GHABLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257330113 212026455 /nfs/dbraw/zinc/02/64/55/212026455.db2.gz XMXBJKDRHIQJJO-GMAHTHKFSA-N 1 2 382.504 3.653 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 ZINC000257315888 212023305 /nfs/dbraw/zinc/02/33/05/212023305.db2.gz VDDZSUNTCZFARQ-GOSISDBHSA-N 1 2 398.536 3.688 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 ZINC000257315888 212023311 /nfs/dbraw/zinc/02/33/11/212023311.db2.gz VDDZSUNTCZFARQ-GOSISDBHSA-N 1 2 398.536 3.688 40 0 GHABLO CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(c4cccc[nH+]4)C3)ccc2c1N ZINC000257281285 212015871 /nfs/dbraw/zinc/01/58/71/212015871.db2.gz OOKRWTQCGGQACY-OAQYLSRUSA-N 1 2 395.532 3.533 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000257262170 212012630 /nfs/dbraw/zinc/01/26/30/212012630.db2.gz LKKHUDSIZBDETM-JOCHJYFZSA-N 1 2 378.476 3.547 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000257262170 212012633 /nfs/dbraw/zinc/01/26/33/212012633.db2.gz LKKHUDSIZBDETM-JOCHJYFZSA-N 1 2 378.476 3.547 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 ZINC000257224317 212006544 /nfs/dbraw/zinc/00/65/44/212006544.db2.gz FBHRJRUAWSKSRM-QHCPKHFHSA-N 1 2 394.494 3.910 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 ZINC000257224317 212006541 /nfs/dbraw/zinc/00/65/41/212006541.db2.gz FBHRJRUAWSKSRM-QHCPKHFHSA-N 1 2 394.494 3.910 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257210396 212003867 /nfs/dbraw/zinc/00/38/67/212003867.db2.gz BULBWXGNFUBDHI-SFHVURJKSA-N 1 2 384.867 3.869 40 0 GHABLO COc1cccc(-c2c[nH+]c3n2CCC32CCN(C(=O)c3cccnc3)CC2)c1 ZINC000096263423 211327287 /nfs/dbraw/zinc/32/72/87/211327287.db2.gz PPFGJVJPTPFQSO-UHFFFAOYSA-N 1 2 388.471 3.531 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379021 211104261 /nfs/dbraw/zinc/10/42/61/211104261.db2.gz XJCCKXVETTYJDZ-LJQANCHMSA-N 1 2 376.460 3.572 40 0 GHABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350585 211097289 /nfs/dbraw/zinc/09/72/89/211097289.db2.gz WQGWNOAMZADSPM-LJQANCHMSA-N 1 2 389.503 3.564 40 0 GHABLO Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353336 211096819 /nfs/dbraw/zinc/09/68/19/211096819.db2.gz FNYCFGGWLQMXOM-QGZVFWFLSA-N 1 2 390.491 3.590 40 0 GHABLO COc1cccc([C@@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2cc(C)on2)c1 ZINC000019715916 210287751 /nfs/dbraw/zinc/28/77/51/210287751.db2.gz IISHRMJEGPZHSS-JOCHJYFZSA-N 1 2 377.444 3.578 40 0 GHABLO COc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2cc(C)on2)c1 ZINC000019715916 210287754 /nfs/dbraw/zinc/28/77/54/210287754.db2.gz IISHRMJEGPZHSS-JOCHJYFZSA-N 1 2 377.444 3.578 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2nonc2C)cs1 ZINC000019666280 210279186 /nfs/dbraw/zinc/27/91/86/210279186.db2.gz FYKAKLCJNCQFDR-LLVKDONJSA-N 1 2 382.449 3.613 40 0 GHABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329038679 570214132 /nfs/dbraw/zinc/21/41/32/570214132.db2.gz RUKQQDGPXJOFFR-FQEVSTJZSA-N 1 2 378.476 3.747 40 0 GHABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 ZINC000585290327 570258098 /nfs/dbraw/zinc/25/80/98/570258098.db2.gz AIVONUMVBAMDIA-DUXPYHPUSA-N 1 2 398.467 3.563 40 0 GHABLO Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219336 570318056 /nfs/dbraw/zinc/31/80/56/570318056.db2.gz JJNYMPGYVPFHTF-HXUWFJFHSA-N 1 2 381.476 3.700 40 0 GHABLO C[C@H](CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1ccccc1 ZINC000012116355 570611062 /nfs/dbraw/zinc/61/10/62/570611062.db2.gz AFQPWKVSGWUZPF-QGZVFWFLSA-N 1 2 376.504 3.710 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccsc1 ZINC000261365144 570788456 /nfs/dbraw/zinc/78/84/56/570788456.db2.gz QIPDSRMTHVSTGD-GOSISDBHSA-O 1 2 399.521 3.614 40 0 GHABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014398381 570883611 /nfs/dbraw/zinc/88/36/11/570883611.db2.gz NWMXQMQCOXUNSK-KXOMFBTKSA-N 1 2 394.515 3.710 40 0 GHABLO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 ZINC000585102334 570930567 /nfs/dbraw/zinc/93/05/67/570930567.db2.gz XFNURIFIDCLGPY-LJQANCHMSA-N 1 2 391.924 3.691 40 0 GHABLO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 ZINC000585102334 570930569 /nfs/dbraw/zinc/93/05/69/570930569.db2.gz XFNURIFIDCLGPY-LJQANCHMSA-N 1 2 391.924 3.691 40 0 GHABLO C[NH+](C)Cc1cc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000019708943 856425697 /nfs/dbraw/zinc/42/56/97/856425697.db2.gz VWJLMEGDNZGUPD-UHFFFAOYSA-N 1 2 393.535 3.682 40 0 GHABLO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013710046 210080655 /nfs/dbraw/zinc/08/06/55/210080655.db2.gz VEIOWJZDTSULOU-HKMNZKMDSA-N 1 2 384.907 3.965 40 0 GHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306131195 212048422 /nfs/dbraw/zinc/04/84/22/212048422.db2.gz JYKUUSPVBAUQMT-NRFANRHFSA-N 1 2 390.443 3.571 40 0 GHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306131195 212048427 /nfs/dbraw/zinc/04/84/27/212048427.db2.gz JYKUUSPVBAUQMT-NRFANRHFSA-N 1 2 390.443 3.571 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306130540 212047954 /nfs/dbraw/zinc/04/79/54/212047954.db2.gz JJBDBLLMPFJKII-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306130540 212047958 /nfs/dbraw/zinc/04/79/58/212047958.db2.gz JJBDBLLMPFJKII-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)C3CC3)Cc3ccccc32)cs1 ZINC000306126498 212044312 /nfs/dbraw/zinc/04/43/12/212044312.db2.gz DXSHNNLHWVLZOD-LJQANCHMSA-N 1 2 378.501 3.580 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)CC3CC3)Cc3ccccc32)cs1 ZINC000306125915 212045755 /nfs/dbraw/zinc/04/57/55/212045755.db2.gz DFMXAWCKEPLGMG-HXUWFJFHSA-N 1 2 392.528 3.971 40 0 GHABLO CCCN(CC)C(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306124710 212044573 /nfs/dbraw/zinc/04/45/73/212044573.db2.gz BXHJIOYNRKIQQR-HXUWFJFHSA-N 1 2 391.519 3.939 40 0 GHABLO CCCN(CC)C(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306124710 212044576 /nfs/dbraw/zinc/04/45/76/212044576.db2.gz BXHJIOYNRKIQQR-HXUWFJFHSA-N 1 2 391.519 3.939 40 0 GHABLO CNc1nc(NCc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047099 209159210 /nfs/dbraw/zinc/15/92/10/209159210.db2.gz UETAFLXDHVPARF-UHFFFAOYSA-N 1 2 388.393 3.848 40 0 GHABLO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NC1CC1 ZINC000096079984 211300764 /nfs/dbraw/zinc/30/07/64/211300764.db2.gz VMKQYCPOBNNNTE-MRXNPFEDSA-N 1 2 397.544 3.713 40 0 GHABLO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053151 211298163 /nfs/dbraw/zinc/29/81/63/211298163.db2.gz YMHOBWZORXYZFG-MRXNPFEDSA-N 1 2 385.533 3.522 40 0 GHABLO CCOC(=O)C1CC[NH+](C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000095774914 211282710 /nfs/dbraw/zinc/28/27/10/211282710.db2.gz IRUVPJVUCTVFQT-UHFFFAOYSA-N 1 2 378.516 3.735 40 0 GHABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(C)cccc4cc3C2)cc1OC ZINC000072392268 211109448 /nfs/dbraw/zinc/10/94/48/211109448.db2.gz ULLBXVOJBHXYSV-UHFFFAOYSA-N 1 2 378.472 3.998 40 0 GHABLO COc1ccc(CC[N@H+]2CCOc3nc4c(C)cccc4cc3C2)cc1OC ZINC000072392268 211109450 /nfs/dbraw/zinc/10/94/50/211109450.db2.gz ULLBXVOJBHXYSV-UHFFFAOYSA-N 1 2 378.472 3.998 40 0 GHABLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000072342957 211093553 /nfs/dbraw/zinc/09/35/53/211093553.db2.gz GVGJELMKNOJKSA-UHFFFAOYSA-N 1 2 393.462 3.533 40 0 GHABLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000072342957 211093556 /nfs/dbraw/zinc/09/35/56/211093556.db2.gz GVGJELMKNOJKSA-UHFFFAOYSA-N 1 2 393.462 3.533 40 0 GHABLO O=C(C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)Nc1nccs1 ZINC000072359416 211100613 /nfs/dbraw/zinc/10/06/13/211100613.db2.gz FRRBCBLOFXOXLT-UHFFFAOYSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 ZINC000072358593 211099352 /nfs/dbraw/zinc/09/93/52/211099352.db2.gz MVSVCZYFBBQYTI-OAHLLOKOSA-N 1 2 397.479 3.557 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 ZINC000072358593 211099355 /nfs/dbraw/zinc/09/93/55/211099355.db2.gz MVSVCZYFBBQYTI-OAHLLOKOSA-N 1 2 397.479 3.557 40 0 GHABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(CCOc3ccccc3F)n[nH]2)cn1 ZINC000019703758 210283657 /nfs/dbraw/zinc/28/36/57/210283657.db2.gz PHEOCRUSNGGWNF-FQEVSTJZSA-N 1 2 395.482 3.860 40 0 GHABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2cc(CCOc3ccccc3F)n[nH]2)cn1 ZINC000019703758 210283662 /nfs/dbraw/zinc/28/36/62/210283662.db2.gz PHEOCRUSNGGWNF-FQEVSTJZSA-N 1 2 395.482 3.860 40 0 GHABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670569 132454667 /nfs/dbraw/zinc/45/46/67/132454667.db2.gz KTVOLNSZIMIXHC-OAQYLSRUSA-N 1 2 390.535 3.612 40 0 GHABLO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219861183 136204438 /nfs/dbraw/zinc/20/44/38/136204438.db2.gz KKQMFKZBRUTWCE-GOSISDBHSA-N 1 2 382.504 3.804 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000226255322 536529030 /nfs/dbraw/zinc/52/90/30/536529030.db2.gz LEZAGUKHEVELDL-CQSZACIVSA-N 1 2 399.491 3.926 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000226255322 536529033 /nfs/dbraw/zinc/52/90/33/536529033.db2.gz LEZAGUKHEVELDL-CQSZACIVSA-N 1 2 399.491 3.926 40 0 GHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 ZINC000096112235 560060849 /nfs/dbraw/zinc/06/08/49/560060849.db2.gz RQRBZIPBJPUPMY-UTKZUKDTSA-N 1 2 394.425 3.989 40 0 biogenic,in-vitro GHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 ZINC000096112235 560060851 /nfs/dbraw/zinc/06/08/51/560060851.db2.gz RQRBZIPBJPUPMY-UTKZUKDTSA-N 1 2 394.425 3.989 40 0 biogenic,in-vitro GHABLO Cn1c[nH+]c(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000585295134 570275217 /nfs/dbraw/zinc/27/52/17/570275217.db2.gz MTOCNJYEYGHBHZ-QGZVFWFLSA-N 1 2 385.468 3.605 40 0 GHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669895 570367586 /nfs/dbraw/zinc/36/75/86/570367586.db2.gz NBDXGTPCGITNHU-FQEVSTJZSA-N 1 2 384.572 3.954 40 0 GHABLO CCCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670673 570368386 /nfs/dbraw/zinc/36/83/86/570368386.db2.gz BTJPAVBXMALVAW-JOCHJYFZSA-N 1 2 390.535 3.775 40 0 GHABLO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000038561223 570580809 /nfs/dbraw/zinc/58/08/09/570580809.db2.gz OHQAHXZRGAPCOI-UHFFFAOYSA-N 1 2 393.915 3.798 40 0 GHABLO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)o1 ZINC000012089658 570607316 /nfs/dbraw/zinc/60/73/16/570607316.db2.gz PRQIVVYQZNKFFA-QFIPXVFZSA-N 1 2 381.451 3.526 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1sccc1C ZINC000261362410 570787978 /nfs/dbraw/zinc/78/79/78/570787978.db2.gz JTNSQFBKRVWZMM-GOSISDBHSA-O 1 2 399.521 3.532 40 0 GHABLO c1coc(CN2C[NH+]=C3N[C@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000013634022 570862140 /nfs/dbraw/zinc/86/21/40/570862140.db2.gz AVFKSGOCVPGUKG-UZLBHIALSA-N 1 2 388.475 3.681 40 0 GHABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095533894 860614278 /nfs/dbraw/zinc/61/42/78/860614278.db2.gz DCAITSWQYFWDFT-HXUWFJFHSA-N 1 2 396.491 3.747 40 0 GHABLO CCNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329050050 212094739 /nfs/dbraw/zinc/09/47/39/212094739.db2.gz USHKAHKBAOKXSY-UHFFFAOYSA-N 1 2 383.293 3.794 40 0 GHABLO c1cc(N2CCOCC2)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328980874 212092181 /nfs/dbraw/zinc/09/21/81/212092181.db2.gz GQVOOCXLGUDDJH-UHFFFAOYSA-N 1 2 379.508 3.711 40 0 GHABLO Cc1ccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1C ZINC000012088295 221149295 /nfs/dbraw/zinc/14/92/95/221149295.db2.gz ORHUXVOKDVCDMW-UHFFFAOYSA-N 1 2 377.488 3.718 40 0 GHABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000014325109 221308441 /nfs/dbraw/zinc/30/84/41/221308441.db2.gz DRCRZJGVDIAXRC-UHFFFAOYSA-N 1 2 396.487 3.627 40 0 GHABLO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704502 221368860 /nfs/dbraw/zinc/36/88/60/221368860.db2.gz AWNGBOIBDDOBEY-UHFFFAOYSA-N 1 2 381.332 3.903 40 0 GHABLO Cc1cc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2cc1C ZINC000013479975 136201000 /nfs/dbraw/zinc/20/10/00/136201000.db2.gz DYTBQYOIQOLOGR-OAQYLSRUSA-N 1 2 377.488 3.718 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378480 222243769 /nfs/dbraw/zinc/24/37/69/222243769.db2.gz BMQHUXCXQGLIEN-IBGZPJMESA-N 1 2 393.466 3.831 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378394 222245222 /nfs/dbraw/zinc/24/52/22/222245222.db2.gz PZNMTZFTWJEOJV-GOSISDBHSA-N 1 2 379.439 3.902 40 0 GHABLO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000103702612 528152611 /nfs/dbraw/zinc/15/26/11/528152611.db2.gz PUJSOUOYRDPRTO-FGZHOGPDSA-N 1 2 391.471 3.981 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000019718465 570209939 /nfs/dbraw/zinc/20/99/39/570209939.db2.gz URFZCDCQJBZTHQ-AWEZNQCLSA-N 1 2 375.432 3.526 40 0 GHABLO COCc1c(C)onc1C(=O)Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1 ZINC000019718603 570210004 /nfs/dbraw/zinc/21/00/04/570210004.db2.gz LEBUBEVUCCQTHH-UHFFFAOYSA-N 1 2 376.416 3.849 40 0 GHABLO Cc1cccc(OCCCn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1 ZINC000019719954 570211009 /nfs/dbraw/zinc/21/10/09/570211009.db2.gz WFMNNZBQWRECTP-UHFFFAOYSA-N 1 2 390.487 3.826 40 0 GHABLO CCCOc1ccccc1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219245917 570350518 /nfs/dbraw/zinc/35/05/18/570350518.db2.gz TWPRSEHZYDSEAR-UHFFFAOYSA-N 1 2 396.531 3.670 40 0 GHABLO CCCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670670 570368244 /nfs/dbraw/zinc/36/82/44/570368244.db2.gz BTJPAVBXMALVAW-QFIPXVFZSA-N 1 2 390.535 3.775 40 0 GHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889292 570511306 /nfs/dbraw/zinc/51/13/06/570511306.db2.gz QQTCQHZPVPLCIN-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OCC ZINC000034198317 570531930 /nfs/dbraw/zinc/53/19/30/570531930.db2.gz ZRPNKDUTTYVTQB-DHZHZOJOSA-N 1 2 394.515 3.955 40 0 GHABLO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038754153 570581800 /nfs/dbraw/zinc/58/18/00/570581800.db2.gz AIKRDIXATVCNJP-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038755571 570582274 /nfs/dbraw/zinc/58/22/74/570582274.db2.gz UDSXEGAZJVHRLF-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000245039178 570698766 /nfs/dbraw/zinc/69/87/66/570698766.db2.gz OJBFMGLXGRRFJV-QGZVFWFLSA-N 1 2 376.909 3.853 40 0 GHABLO COc1ccc(-c2cncc([C@H]3C[N@H+](Cc4ccccc4F)CCO3)n2)cc1 ZINC000257206841 570760513 /nfs/dbraw/zinc/76/05/13/570760513.db2.gz BFBZJTNJVZOJSH-JOCHJYFZSA-N 1 2 379.435 3.865 40 0 GHABLO COc1ccc(-c2cncc([C@H]3C[N@@H+](Cc4ccccc4F)CCO3)n2)cc1 ZINC000257206841 570760517 /nfs/dbraw/zinc/76/05/17/570760517.db2.gz BFBZJTNJVZOJSH-JOCHJYFZSA-N 1 2 379.435 3.865 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 ZINC000257323242 570781525 /nfs/dbraw/zinc/78/15/25/570781525.db2.gz WJHONWABDDCOHK-HSZRJFAPSA-N 1 2 376.504 3.771 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 ZINC000257323242 570781527 /nfs/dbraw/zinc/78/15/27/570781527.db2.gz WJHONWABDDCOHK-HSZRJFAPSA-N 1 2 376.504 3.771 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)nnn3c2)cc1 ZINC000306131369 570939746 /nfs/dbraw/zinc/93/97/46/570939746.db2.gz KCRBATCTEKGJOK-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCN4C)nnn3c2)cc1 ZINC000306131369 570939752 /nfs/dbraw/zinc/93/97/52/570939752.db2.gz KCRBATCTEKGJOK-HSZRJFAPSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139152 570943798 /nfs/dbraw/zinc/94/37/98/570943798.db2.gz SQOSNPRMTWUMNQ-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1cccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139152 570943800 /nfs/dbraw/zinc/94/38/00/570943800.db2.gz SQOSNPRMTWUMNQ-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 ZINC000019292652 570972854 /nfs/dbraw/zinc/97/28/54/570972854.db2.gz BSWQBCHLMYHUNN-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 ZINC000019292652 570972855 /nfs/dbraw/zinc/97/28/55/570972855.db2.gz BSWQBCHLMYHUNN-LJQANCHMSA-N 1 2 382.414 3.837 40 0 GHABLO CCCCn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(C)n1 ZINC000019502424 570993717 /nfs/dbraw/zinc/99/37/17/570993717.db2.gz VMFQWWOJGILXQH-GHTZIAJQSA-N 1 2 380.540 3.644 40 0 GHABLO CCCCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(C)n1 ZINC000019502424 570993718 /nfs/dbraw/zinc/99/37/18/570993718.db2.gz VMFQWWOJGILXQH-GHTZIAJQSA-N 1 2 380.540 3.644 40 0 GHABLO COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)c(OC)c1 ZINC000019552134 571001502 /nfs/dbraw/zinc/00/15/02/571001502.db2.gz MCOLJFAVJGXDSR-OAQYLSRUSA-N 1 2 391.471 3.926 40 0 GHABLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019555129 571002877 /nfs/dbraw/zinc/00/28/77/571002877.db2.gz XLHNLPIHPNTDQE-OAHLLOKOSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019555129 571002880 /nfs/dbraw/zinc/00/28/80/571002880.db2.gz XLHNLPIHPNTDQE-OAHLLOKOSA-N 1 2 394.924 3.527 40 0 GHABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1OC ZINC000019714117 571035619 /nfs/dbraw/zinc/03/56/19/571035619.db2.gz KTOBIEWVWWDOOK-SFHVURJKSA-N 1 2 398.507 3.791 40 0 GHABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1OC ZINC000019714117 571035622 /nfs/dbraw/zinc/03/56/22/571035622.db2.gz KTOBIEWVWWDOOK-SFHVURJKSA-N 1 2 398.507 3.791 40 0 GHABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 ZINC000001336436 212237843 /nfs/dbraw/zinc/23/78/43/212237843.db2.gz VPXKGMMXUNXBBL-UHFFFAOYSA-N 1 2 379.504 3.594 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329029236 212094078 /nfs/dbraw/zinc/09/40/78/212094078.db2.gz PYHXDNDWDLZNSC-HNNXBMFYSA-N 1 2 397.306 3.961 40 0 GHABLO CC(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000329042570 212095116 /nfs/dbraw/zinc/09/51/16/212095116.db2.gz SOBPKQLKWCZCAK-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328964902 212090818 /nfs/dbraw/zinc/09/08/18/212090818.db2.gz BXZGESNKLNVBFJ-IBGZPJMESA-N 1 2 397.910 3.655 40 0 GHABLO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020098526 221471886 /nfs/dbraw/zinc/47/18/86/221471886.db2.gz CBHBBKLIELWRQS-BEFAXECRSA-N 1 2 383.521 3.613 40 0 GHABLO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020098526 221471889 /nfs/dbraw/zinc/47/18/89/221471889.db2.gz CBHBBKLIELWRQS-BEFAXECRSA-N 1 2 383.521 3.613 40 0 GHABLO COc1ccc(CCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1OC ZINC000219864335 136204373 /nfs/dbraw/zinc/20/43/73/136204373.db2.gz VRTSHCPSBLQJIX-UHFFFAOYSA-N 1 2 396.531 3.978 40 0 GHABLO CCCCOc1ccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224356292 136206818 /nfs/dbraw/zinc/20/68/18/136206818.db2.gz KMMZBJYFVIMTGB-UHFFFAOYSA-N 1 2 397.523 3.964 40 0 GHABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898582 222167478 /nfs/dbraw/zinc/16/74/78/222167478.db2.gz OWJBXQRBUVROQR-KRWDZBQOSA-N 1 2 381.398 3.648 40 0 biogenic,in-vitro GHABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898582 222167482 /nfs/dbraw/zinc/16/74/82/222167482.db2.gz OWJBXQRBUVROQR-KRWDZBQOSA-N 1 2 381.398 3.648 40 0 biogenic,in-vitro GHABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 ZINC000072353023 222237798 /nfs/dbraw/zinc/23/77/98/222237798.db2.gz FEDCCULXCHATOT-MRXNPFEDSA-N 1 2 398.467 3.591 40 0 GHABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 ZINC000072353023 222237801 /nfs/dbraw/zinc/23/78/01/222237801.db2.gz FEDCCULXCHATOT-MRXNPFEDSA-N 1 2 398.467 3.591 40 0 GHABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 ZINC000072380593 222244118 /nfs/dbraw/zinc/24/41/18/222244118.db2.gz ARTSNMGTCNXPQZ-NRFANRHFSA-N 1 2 382.508 3.818 40 0 GHABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 ZINC000072380593 222244124 /nfs/dbraw/zinc/24/41/24/222244124.db2.gz ARTSNMGTCNXPQZ-NRFANRHFSA-N 1 2 382.508 3.818 40 0 GHABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096036963 222372471 /nfs/dbraw/zinc/37/24/71/222372471.db2.gz MUJURVRSISUFHZ-UHFFFAOYSA-N 1 2 397.523 3.582 40 0 GHABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096036963 222372477 /nfs/dbraw/zinc/37/24/77/222372477.db2.gz MUJURVRSISUFHZ-UHFFFAOYSA-N 1 2 397.523 3.582 40 0 GHABLO C[C@@]1(O)CC[N@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290358 560029716 /nfs/dbraw/zinc/02/97/16/560029716.db2.gz YNEGMWZQPBVIKH-JAXLGGSGSA-N 1 2 399.560 3.516 40 0 biogenic,in-vitro GHABLO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290358 560029717 /nfs/dbraw/zinc/02/97/17/560029717.db2.gz YNEGMWZQPBVIKH-JAXLGGSGSA-N 1 2 399.560 3.516 40 0 biogenic,in-vitro GHABLO OCCCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329018980 570213020 /nfs/dbraw/zinc/21/30/20/570213020.db2.gz NULCGJWDQXMIJP-UHFFFAOYSA-N 1 2 389.286 3.832 40 0 GHABLO CC(C)[C@H]([NH2+]Cc1cccc(F)c1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769458 570277523 /nfs/dbraw/zinc/27/75/23/570277523.db2.gz BJQCOQFQJCHSGD-QFIPXVFZSA-N 1 2 398.482 3.955 40 0 GHABLO CC(C)[C@@H]([NH2+]Cc1ccccc1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769445 570277541 /nfs/dbraw/zinc/27/75/41/570277541.db2.gz VKBOJYGVADTPBM-JOCHJYFZSA-N 1 2 398.482 3.955 40 0 GHABLO C[C@@H](CN1CC[NH+](C[C@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000022581566 570434488 /nfs/dbraw/zinc/43/44/88/570434488.db2.gz GIGZBFNCAMWHDI-PMACEKPBSA-N 1 2 378.516 3.642 40 0 GHABLO Cc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000031852029 570642058 /nfs/dbraw/zinc/64/20/58/570642058.db2.gz ZSFVBRAWTMVMMX-KRWDZBQOSA-N 1 2 398.528 3.549 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C ZINC000257269534 570773123 /nfs/dbraw/zinc/77/31/23/570773123.db2.gz MQJRNWMYJLWASL-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C ZINC000257269534 570773127 /nfs/dbraw/zinc/77/31/27/570773127.db2.gz MQJRNWMYJLWASL-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 ZINC000257329618 570782384 /nfs/dbraw/zinc/78/23/84/570782384.db2.gz XKTFZZZXOKOMBH-SFHVURJKSA-N 1 2 385.468 3.698 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 ZINC000257329618 570782385 /nfs/dbraw/zinc/78/23/85/570782385.db2.gz XKTFZZZXOKOMBH-SFHVURJKSA-N 1 2 385.468 3.698 40 0 GHABLO Cc1cccc(C)c1Nc1noc2c1CN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC000019235753 570965875 /nfs/dbraw/zinc/96/58/75/570965875.db2.gz ZBBJSGWCLCRGOG-INIZCTEOSA-N 1 2 379.464 3.768 40 0 GHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000019349485 570978449 /nfs/dbraw/zinc/97/84/49/570978449.db2.gz LTZVXBHAJUARHB-UHFFFAOYSA-N 1 2 395.890 3.890 40 0 GHABLO CCn1c2ccc(NC(=O)c3ccc(CN4CCOCC4)o3)cc2[nH+]c1C(C)C ZINC000019524258 570996407 /nfs/dbraw/zinc/99/64/07/570996407.db2.gz JXSATNPWFQUTAN-UHFFFAOYSA-N 1 2 396.491 3.857 40 0 GHABLO COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)o2)c(OC)c1 ZINC000019552130 571001438 /nfs/dbraw/zinc/00/14/38/571001438.db2.gz RKSCDKUAJHBCOX-GOSISDBHSA-N 1 2 381.432 3.519 40 0 GHABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000019662443 571026130 /nfs/dbraw/zinc/02/61/30/571026130.db2.gz DUPRFYYOYHISJX-UHFFFAOYSA-N 1 2 377.423 3.621 40 0 GHABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703764 571031555 /nfs/dbraw/zinc/03/15/55/571031555.db2.gz WNRAHFANEZEJQO-FQEVSTJZSA-N 1 2 395.482 3.944 40 0 GHABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703764 571031556 /nfs/dbraw/zinc/03/15/56/571031556.db2.gz WNRAHFANEZEJQO-FQEVSTJZSA-N 1 2 395.482 3.944 40 0 GHABLO CCOC1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000019716011 571038022 /nfs/dbraw/zinc/03/80/22/571038022.db2.gz AIVZJLILGFIYEU-UHFFFAOYSA-N 1 2 384.524 3.545 40 0 GHABLO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008477707 856406960 /nfs/dbraw/zinc/40/69/60/856406960.db2.gz VYQFNJVDAVTMSS-OGECGYFKSA-N 1 2 382.479 3.841 40 0 GHABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cnc(C)nc4)C3)CO[C@H]21 ZINC000257312170 222775088 /nfs/dbraw/zinc/77/50/88/222775088.db2.gz UMTJHHUXWAMHQV-AZUAARDMSA-N 1 2 395.503 3.544 40 0 GHABLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2[nH+]1 ZINC000019083432 221396873 /nfs/dbraw/zinc/39/68/73/221396873.db2.gz QAFRQESUEZGQNF-UHFFFAOYSA-N 1 2 390.443 3.766 40 0 GHABLO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453631 221414814 /nfs/dbraw/zinc/41/48/14/221414814.db2.gz WJKRZEXNOVLQPR-UHFFFAOYSA-N 1 2 393.535 3.717 40 0 GHABLO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453631 221414815 /nfs/dbraw/zinc/41/48/15/221414815.db2.gz WJKRZEXNOVLQPR-UHFFFAOYSA-N 1 2 393.535 3.717 40 0 GHABLO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000044916231 221958486 /nfs/dbraw/zinc/95/84/86/221958486.db2.gz RDJFHUCNCHLUCG-UHFFFAOYSA-N 1 2 396.531 3.669 40 0 GHABLO CN(C)C(=O)c1cc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352707 222238271 /nfs/dbraw/zinc/23/82/71/222238271.db2.gz XHRAWAKCTSAGFI-JOCHJYFZSA-N 1 2 393.462 3.649 40 0 GHABLO CN(C)C(=O)c1cc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352707 222238273 /nfs/dbraw/zinc/23/82/73/222238273.db2.gz XHRAWAKCTSAGFI-JOCHJYFZSA-N 1 2 393.462 3.649 40 0 GHABLO O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378821 222244641 /nfs/dbraw/zinc/24/46/41/222244641.db2.gz ZFHSPNNVBFXXPA-SFHVURJKSA-N 1 2 378.451 3.745 40 0 GHABLO Cn1c(CO[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]2F)nc2ccccc21 ZINC000096112203 222381292 /nfs/dbraw/zinc/38/12/92/222381292.db2.gz BMGQPDPFIMJYPD-GCJKJVERSA-N 1 2 390.462 3.861 40 0 biogenic,in-vitro GHABLO Cn1c(CO[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]2F)nc2ccccc21 ZINC000096112203 222381294 /nfs/dbraw/zinc/38/12/94/222381294.db2.gz BMGQPDPFIMJYPD-GCJKJVERSA-N 1 2 390.462 3.861 40 0 biogenic,in-vitro GHABLO Cc1cccnc1Nc1nc(C2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cs1 ZINC000585291183 570259881 /nfs/dbraw/zinc/25/98/81/570259881.db2.gz LIRZGBGXYQTJEP-SNAWJCMRSA-N 1 2 394.504 3.733 40 0 GHABLO O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110601591 570324119 /nfs/dbraw/zinc/32/41/19/570324119.db2.gz RLSKQWNFPGMQJH-UHFFFAOYSA-N 1 2 387.483 3.757 40 0 GHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 ZINC000057669760 570367133 /nfs/dbraw/zinc/36/71/33/570367133.db2.gz UOHAVMIWPYWKBH-FQEVSTJZSA-N 1 2 384.572 3.954 40 0 GHABLO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000030753266 570494811 /nfs/dbraw/zinc/49/48/11/570494811.db2.gz GIFOFLWJQRPZLL-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000224441801 570513593 /nfs/dbraw/zinc/51/35/93/570513593.db2.gz PDPPRJMSIRMHNJ-UHFFFAOYSA-N 1 2 387.443 3.562 40 0 GHABLO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044855715 570636690 /nfs/dbraw/zinc/63/66/90/570636690.db2.gz LIHSTILLYMHUQH-FQEVSTJZSA-N 1 2 391.471 3.972 40 0 GHABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856876 570637176 /nfs/dbraw/zinc/63/71/76/570637176.db2.gz OXPHUOXTLQJLHG-LJQANCHMSA-N 1 2 379.460 3.830 40 0 GHABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)n1C ZINC000005001436 570651696 /nfs/dbraw/zinc/65/16/96/570651696.db2.gz TWDSWSJEQVQMNT-INIZCTEOSA-N 1 2 395.532 3.508 40 0 GHABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)n1C ZINC000005001436 570651698 /nfs/dbraw/zinc/65/16/98/570651698.db2.gz TWDSWSJEQVQMNT-INIZCTEOSA-N 1 2 395.532 3.508 40 0 GHABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3F)c2)C1 ZINC000257284613 570775418 /nfs/dbraw/zinc/77/54/18/570775418.db2.gz PDMIYXWTYFVKLQ-QGZVFWFLSA-N 1 2 379.439 3.559 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306127009 570937328 /nfs/dbraw/zinc/93/73/28/570937328.db2.gz FLJLGRLPYUUMSH-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306127009 570937330 /nfs/dbraw/zinc/93/73/30/570937330.db2.gz FLJLGRLPYUUMSH-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=C(c1ccco1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000306127827 570937870 /nfs/dbraw/zinc/93/78/70/570937870.db2.gz GIQVFTANEHVFRQ-FQEVSTJZSA-N 1 2 384.439 3.707 40 0 GHABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)n1 ZINC000306127965 570937936 /nfs/dbraw/zinc/93/79/36/570937936.db2.gz GMFOVKURNVVDSJ-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)n1 ZINC000306127965 570937939 /nfs/dbraw/zinc/93/79/39/570937939.db2.gz GMFOVKURNVVDSJ-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306138560 570943790 /nfs/dbraw/zinc/94/37/90/570943790.db2.gz SAVKSTMRTRPJMA-RXVVDRJESA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306138560 570943792 /nfs/dbraw/zinc/94/37/92/570943792.db2.gz SAVKSTMRTRPJMA-RXVVDRJESA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306138396 570943930 /nfs/dbraw/zinc/94/39/30/570943930.db2.gz RWKIDDQKGHFJSW-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306138396 570943932 /nfs/dbraw/zinc/94/39/32/570943932.db2.gz RWKIDDQKGHFJSW-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO COc1cccc(OC)c1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453603 570986006 /nfs/dbraw/zinc/98/60/06/570986006.db2.gz NDXHWFHVDVPLLS-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1cccc(OC)c1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453603 570986009 /nfs/dbraw/zinc/98/60/09/570986009.db2.gz NDXHWFHVDVPLLS-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000328960427 212090891 /nfs/dbraw/zinc/09/08/91/212090891.db2.gz AXXSBPDJYHFZJJ-OAQYLSRUSA-N 1 2 376.504 3.915 40 0 GHABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(N[C@H](CO)C(C)C)n3)ccc2s1 ZINC000328970781 212090522 /nfs/dbraw/zinc/09/05/22/212090522.db2.gz DMLHNAFLLNWNAG-QGZVFWFLSA-N 1 2 383.521 3.866 40 0 GHABLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529980 221202706 /nfs/dbraw/zinc/20/27/06/221202706.db2.gz JVRYKROREWGKRZ-IRXDYDNUSA-N 1 2 399.401 3.582 40 0 biogenic,in-vitro GHABLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529980 221202710 /nfs/dbraw/zinc/20/27/10/221202710.db2.gz JVRYKROREWGKRZ-IRXDYDNUSA-N 1 2 399.401 3.582 40 0 biogenic,in-vitro GHABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072360416 222240738 /nfs/dbraw/zinc/24/07/38/222240738.db2.gz XFADNFRPFHFMMM-KRWDZBQOSA-N 1 2 395.536 3.983 40 0 GHABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072360416 222240740 /nfs/dbraw/zinc/24/07/40/222240740.db2.gz XFADNFRPFHFMMM-KRWDZBQOSA-N 1 2 395.536 3.983 40 0 GHABLO O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000072378903 222244701 /nfs/dbraw/zinc/24/47/01/222244701.db2.gz KOWRXBRSXKEMKO-UHFFFAOYSA-N 1 2 385.471 3.697 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379027 222245707 /nfs/dbraw/zinc/24/57/07/222245707.db2.gz YCANDRCYYHALCB-SFHVURJKSA-N 1 2 390.487 3.615 40 0 GHABLO COc1ccc(Cn2nnnc2[C@@H](c2cccs2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000245227142 533897706 /nfs/dbraw/zinc/89/77/06/533897706.db2.gz CBHBBKLIELWRQS-HNAYVOBHSA-N 1 2 383.521 3.613 40 0 GHABLO COc1ccc(Cn2nnnc2[C@@H](c2cccs2)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000245227142 533897731 /nfs/dbraw/zinc/89/77/31/533897731.db2.gz CBHBBKLIELWRQS-HNAYVOBHSA-N 1 2 383.521 3.613 40 0 GHABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1ccccc1F)C3 ZINC000100182179 570268402 /nfs/dbraw/zinc/26/84/02/570268402.db2.gz SOEGSHKDDIUBFX-UHFFFAOYSA-N 1 2 378.407 3.701 40 0 GHABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1ccccc1F)C3 ZINC000100182179 570268404 /nfs/dbraw/zinc/26/84/04/570268404.db2.gz SOEGSHKDDIUBFX-UHFFFAOYSA-N 1 2 378.407 3.701 40 0 GHABLO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004861653 570413394 /nfs/dbraw/zinc/41/33/94/570413394.db2.gz BVXMDSNCCAOGSA-KRWDZBQOSA-N 1 2 383.517 3.814 40 0 GHABLO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004861653 570413397 /nfs/dbraw/zinc/41/33/97/570413397.db2.gz BVXMDSNCCAOGSA-KRWDZBQOSA-N 1 2 383.517 3.814 40 0 GHABLO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030939744 570501565 /nfs/dbraw/zinc/50/15/65/570501565.db2.gz KETZXJKYNQJCAO-UHFFFAOYSA-N 1 2 376.460 3.714 40 0 GHABLO Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225795873 570618076 /nfs/dbraw/zinc/61/80/76/570618076.db2.gz IJBHMYCDXGXHTC-UHFFFAOYSA-N 1 2 390.462 3.549 40 0 GHABLO COc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(C)C ZINC000044905320 570641809 /nfs/dbraw/zinc/64/18/09/570641809.db2.gz FPZVVPRRPMVFJV-UHFFFAOYSA-N 1 2 379.460 3.657 40 0 GHABLO CCc1ccccc1NC(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257232207 570765409 /nfs/dbraw/zinc/76/54/09/570765409.db2.gz GJVNZLIYFVBAIP-UPVQGACJSA-N 1 2 394.515 3.638 40 0 GHABLO CCc1ccccc1NC(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257232207 570765411 /nfs/dbraw/zinc/76/54/11/570765411.db2.gz GJVNZLIYFVBAIP-UPVQGACJSA-N 1 2 394.515 3.638 40 0 GHABLO Cc1cc(C)nc(N2CCO[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)n1 ZINC000257240288 570768023 /nfs/dbraw/zinc/76/80/23/570768023.db2.gz HSWQMCYNBBSQOC-LJQANCHMSA-N 1 2 376.464 3.513 40 0 GHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(C)s1 ZINC000261364576 570788579 /nfs/dbraw/zinc/78/85/79/570788579.db2.gz MINGWTDTOJVXPQ-SFHVURJKSA-O 1 2 399.521 3.532 40 0 GHABLO Fc1cccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306131516 570939777 /nfs/dbraw/zinc/93/97/77/570939777.db2.gz KHJYALGPDTTWQX-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO Fc1cccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306131516 570939778 /nfs/dbraw/zinc/93/97/78/570939778.db2.gz KHJYALGPDTTWQX-NRFANRHFSA-N 1 2 389.434 3.504 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019292932 570972622 /nfs/dbraw/zinc/97/26/22/570972622.db2.gz CHLVKTUJARVFLE-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019292932 570972626 /nfs/dbraw/zinc/97/26/26/570972626.db2.gz CHLVKTUJARVFLE-IBGZPJMESA-N 1 2 382.414 3.837 40 0 GHABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c(OC)c1 ZINC000019552312 571001382 /nfs/dbraw/zinc/00/13/82/571001382.db2.gz FUBBGAJLYWYARD-LJQANCHMSA-N 1 2 392.459 3.599 40 0 GHABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c(OC)c1 ZINC000019552312 571001386 /nfs/dbraw/zinc/00/13/86/571001386.db2.gz FUBBGAJLYWYARD-LJQANCHMSA-N 1 2 392.459 3.599 40 0 GHABLO Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705512 571031561 /nfs/dbraw/zinc/03/15/61/571031561.db2.gz XGNGHYCMTRZFCD-HXUWFJFHSA-N 1 2 377.467 3.525 40 0 GHABLO Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705512 571031562 /nfs/dbraw/zinc/03/15/62/571031562.db2.gz XGNGHYCMTRZFCD-HXUWFJFHSA-N 1 2 377.467 3.525 40 0 GHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)C3CCCCC3)n2)c1 ZINC000020464488 575367049 /nfs/dbraw/zinc/36/70/49/575367049.db2.gz OUYHRAZGOTXAHY-IBGZPJMESA-N 1 2 391.475 3.974 40 0 biogenic,in-vitro GHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)C3CCCCC3)n2)c1 ZINC000020464488 575367052 /nfs/dbraw/zinc/36/70/52/575367052.db2.gz OUYHRAZGOTXAHY-IBGZPJMESA-N 1 2 391.475 3.974 40 0 biogenic,in-vitro GHABLO c1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019369587 212110706 /nfs/dbraw/zinc/11/07/06/212110706.db2.gz BCEMHADMTHMVGL-JOCHJYFZSA-N 1 2 388.519 3.700 40 0 GHABLO Fc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329050056 212094906 /nfs/dbraw/zinc/09/49/06/212094906.db2.gz USKPPMRWHZJPHF-UHFFFAOYSA-N 1 2 381.430 3.627 40 0 GHABLO O[C@H]1CCCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000012221794 221169239 /nfs/dbraw/zinc/16/92/39/221169239.db2.gz RLRYNXRMRAHVDD-LBPRGKRZSA-N 1 2 390.274 3.802 40 0 GHABLO CCN(Cc1c[nH+]cn1C)c1cccc(OCCOc2ccccc2OC)c1 ZINC000014000301 221296125 /nfs/dbraw/zinc/29/61/25/221296125.db2.gz FRSIASLQNJGQMB-UHFFFAOYSA-N 1 2 381.476 3.913 40 0 GHABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674296 221338407 /nfs/dbraw/zinc/33/84/07/221338407.db2.gz RDKXPCIRJLAIRJ-APWZRJJASA-N 1 2 383.423 3.501 40 0 biogenic,in-vitro GHABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674296 221338410 /nfs/dbraw/zinc/33/84/10/221338410.db2.gz RDKXPCIRJLAIRJ-APWZRJJASA-N 1 2 383.423 3.501 40 0 biogenic,in-vitro GHABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)ncc2C1 ZINC000019018284 221393761 /nfs/dbraw/zinc/39/37/61/221393761.db2.gz BCBVTRQMDNMAQD-HXUWFJFHSA-N 1 2 384.911 3.762 40 0 GHABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)ncc2C1 ZINC000019018284 221393764 /nfs/dbraw/zinc/39/37/64/221393764.db2.gz BCBVTRQMDNMAQD-HXUWFJFHSA-N 1 2 384.911 3.762 40 0 GHABLO O[C@@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072340695 136168576 /nfs/dbraw/zinc/16/85/76/136168576.db2.gz PCLGYBBGTFITHW-HSZRJFAPSA-N 1 2 395.453 3.764 40 0 GHABLO Cc1cc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2cc1C ZINC000013479976 136200932 /nfs/dbraw/zinc/20/09/32/136200932.db2.gz DYTBQYOIQOLOGR-NRFANRHFSA-N 1 2 377.488 3.718 40 0 GHABLO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374509 222241994 /nfs/dbraw/zinc/24/19/94/222241994.db2.gz XQHNZFHEDSHNDO-SFHVURJKSA-N 1 2 396.470 3.693 40 0 GHABLO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374509 222241996 /nfs/dbraw/zinc/24/19/96/222241996.db2.gz XQHNZFHEDSHNDO-SFHVURJKSA-N 1 2 396.470 3.693 40 0 GHABLO Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4C(C)C)n3)C2)co1 ZINC000072379260 222243783 /nfs/dbraw/zinc/24/37/83/222243783.db2.gz UBODJVQTOATAGY-MRXNPFEDSA-N 1 2 379.464 3.707 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378917 222244825 /nfs/dbraw/zinc/24/48/25/222244825.db2.gz OQQJORJCDDBHEO-LJQANCHMSA-N 1 2 378.451 3.875 40 0 GHABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037037 222373707 /nfs/dbraw/zinc/37/37/07/222373707.db2.gz HJXWTIBPGYISBD-UHFFFAOYSA-N 1 2 390.487 3.610 40 0 GHABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037037 222373711 /nfs/dbraw/zinc/37/37/11/222373711.db2.gz HJXWTIBPGYISBD-UHFFFAOYSA-N 1 2 390.487 3.610 40 0 GHABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289628 560032252 /nfs/dbraw/zinc/03/22/52/560032252.db2.gz XFQGQVGCSKITER-IRXDYDNUSA-N 1 2 381.451 3.858 40 0 biogenic,in-vitro GHABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289628 560032253 /nfs/dbraw/zinc/03/22/53/560032253.db2.gz XFQGQVGCSKITER-IRXDYDNUSA-N 1 2 381.451 3.858 40 0 biogenic,in-vitro GHABLO COc1cccc(-c2nc3c(s2)C[N@H+](CC(=O)Nc2ccc(F)cc2)CC3)c1 ZINC000019719737 570210959 /nfs/dbraw/zinc/21/09/59/570210959.db2.gz IGYLNCCLCSAACV-UHFFFAOYSA-N 1 2 397.475 3.955 40 0 GHABLO COc1cccc(-c2nc3c(s2)C[N@@H+](CC(=O)Nc2ccc(F)cc2)CC3)c1 ZINC000019719737 570210960 /nfs/dbraw/zinc/21/09/60/570210960.db2.gz IGYLNCCLCSAACV-UHFFFAOYSA-N 1 2 397.475 3.955 40 0 GHABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1O ZINC000031430163 570504641 /nfs/dbraw/zinc/50/46/41/570504641.db2.gz HRGWMGTYIRQYMO-YIKPVDIZSA-N 1 2 383.444 3.712 40 0 GHABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c2cccnc12 ZINC000225455744 570576249 /nfs/dbraw/zinc/57/62/49/570576249.db2.gz XFSVDOFJKNQWGD-UHFFFAOYSA-N 1 2 389.484 3.916 40 0 GHABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257266557 570772636 /nfs/dbraw/zinc/77/26/36/570772636.db2.gz MDNJPVYIBTYCNL-QHCPKHFHSA-N 1 2 388.515 3.707 40 0 GHABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257266557 570772638 /nfs/dbraw/zinc/77/26/38/570772638.db2.gz MDNJPVYIBTYCNL-QHCPKHFHSA-N 1 2 388.515 3.707 40 0 GHABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3F)c2)C1 ZINC000257284612 570775499 /nfs/dbraw/zinc/77/54/99/570775499.db2.gz PDMIYXWTYFVKLQ-KRWDZBQOSA-N 1 2 379.439 3.559 40 0 GHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccs1 ZINC000261365880 570789159 /nfs/dbraw/zinc/78/91/59/570789159.db2.gz VYRSWTDQQPFANF-SFHVURJKSA-O 1 2 399.521 3.614 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)C3CC3)Cc3ccccc32)cs1 ZINC000306126497 570936917 /nfs/dbraw/zinc/93/69/17/570936917.db2.gz DXSHNNLHWVLZOD-IBGZPJMESA-N 1 2 378.501 3.580 40 0 GHABLO C[C@@H](NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1[nH+]ccn1C ZINC000660333431 570950844 /nfs/dbraw/zinc/95/08/44/570950844.db2.gz AETQCYHEMDPTBM-QGZVFWFLSA-N 1 2 389.503 3.543 40 0 GHABLO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000224366792 222654901 /nfs/dbraw/zinc/65/49/01/222654901.db2.gz PUFDLPJASMYRSC-UHFFFAOYSA-N 1 2 388.895 3.501 40 0 GHABLO CNc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329007235 212092114 /nfs/dbraw/zinc/09/21/14/212092114.db2.gz LJMOBRNRQUJKFO-UHFFFAOYSA-N 1 2 392.356 3.679 40 0 GHABLO CCn1c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087602 221149259 /nfs/dbraw/zinc/14/92/59/221149259.db2.gz OLPNPOYLKPOJJL-INIZCTEOSA-N 1 2 376.460 3.801 40 0 GHABLO CCn1c(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087602 221149260 /nfs/dbraw/zinc/14/92/60/221149260.db2.gz OLPNPOYLKPOJJL-INIZCTEOSA-N 1 2 376.460 3.801 40 0 GHABLO Cc1ccccc1C1(O)CCN(C(=O)CCc2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000012147518 221160306 /nfs/dbraw/zinc/16/03/06/221160306.db2.gz NYMZOOSFLUKQOM-UHFFFAOYSA-N 1 2 391.515 3.931 40 0 GHABLO C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529796 221203096 /nfs/dbraw/zinc/20/30/96/221203096.db2.gz MJJFWWHVZRFPJT-IRXDYDNUSA-N 1 2 388.899 3.832 40 0 biogenic,in-vitro GHABLO C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529796 221203101 /nfs/dbraw/zinc/20/31/01/221203101.db2.gz MJJFWWHVZRFPJT-IRXDYDNUSA-N 1 2 388.899 3.832 40 0 biogenic,in-vitro GHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1 ZINC000057669591 132453909 /nfs/dbraw/zinc/45/39/09/132453909.db2.gz PZIBEPXOXXNQOA-NRFANRHFSA-N 1 2 382.556 3.924 40 0 GHABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020139278 136202521 /nfs/dbraw/zinc/20/25/21/136202521.db2.gz ZBDGXGBBGAAWIX-OAQYLSRUSA-N 1 2 390.535 3.648 40 0 GHABLO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072363222 222241147 /nfs/dbraw/zinc/24/11/47/222241147.db2.gz GALJSVSJUFAVGG-KRWDZBQOSA-N 1 2 393.491 3.874 40 0 GHABLO CCn1ccnc1C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072363222 222241150 /nfs/dbraw/zinc/24/11/50/222241150.db2.gz GALJSVSJUFAVGG-KRWDZBQOSA-N 1 2 393.491 3.874 40 0 GHABLO Cc1nc(C(=O)N2CCC(c3cccc(-n4cc[nH+]c4C(C)C)n3)CC2)co1 ZINC000072378830 222244635 /nfs/dbraw/zinc/24/46/35/222244635.db2.gz KQSPCOBABACFFZ-UHFFFAOYSA-N 1 2 379.464 3.707 40 0 GHABLO COc1cc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc(OC)c1OC ZINC000226255339 536529050 /nfs/dbraw/zinc/52/90/50/536529050.db2.gz CDHZQOZVHLJXQT-UHFFFAOYSA-N 1 2 385.464 3.537 40 0 GHABLO Cc1nn(C)cc1-c1csc(NC(=O)CCCn2c(C)[nH+]c3ccccc32)n1 ZINC000019719279 570210621 /nfs/dbraw/zinc/21/06/21/570210621.db2.gz GCGYWBZWRBVWQI-UHFFFAOYSA-N 1 2 394.504 3.929 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000072215960 570317072 /nfs/dbraw/zinc/31/70/72/570317072.db2.gz DVPVYXQFKHYPHF-HXUWFJFHSA-N 1 2 385.533 3.906 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669934 570367387 /nfs/dbraw/zinc/36/73/87/570367387.db2.gz FEVKRJGKIWQAKA-LJQANCHMSA-N 1 2 388.535 3.867 40 0 GHABLO CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C[NH+]5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118929632 570368865 /nfs/dbraw/zinc/36/88/65/570368865.db2.gz CJUKMDBJDPZAEN-WSDCWZIASA-N 1 2 385.548 3.992 40 0 GHABLO CCCCCC(=O)c1ccc(OCCC[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000026172931 570423104 /nfs/dbraw/zinc/42/31/04/570423104.db2.gz RLVMZEQCHVFJEJ-UHFFFAOYSA-N 1 2 390.524 3.993 40 0 GHABLO O=C(N1CC[NH+](CCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000031923868 570507635 /nfs/dbraw/zinc/50/76/35/570507635.db2.gz CLIBDWBXGIOVSL-UHFFFAOYSA-N 1 2 389.908 3.673 40 0 GHABLO O=C(COc1cccc2c1CCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224518771 570516334 /nfs/dbraw/zinc/51/63/34/570516334.db2.gz PUVRLSQARBPFRL-JXMROGBWSA-N 1 2 390.527 3.802 40 0 GHABLO CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000225454456 570575857 /nfs/dbraw/zinc/57/58/57/570575857.db2.gz LNJMFNBKJGLRBV-UHFFFAOYSA-N 1 2 394.500 3.844 40 0 GHABLO COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCCCCC1 ZINC000004968374 570654555 /nfs/dbraw/zinc/65/45/55/570654555.db2.gz XJGLRLPMNQYYBO-JOCHJYFZSA-N 1 2 391.519 3.890 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCCCCC1 ZINC000004968376 570654571 /nfs/dbraw/zinc/65/45/71/570654571.db2.gz AFPOJMPPYPABFX-LJQANCHMSA-N 1 2 387.528 3.801 40 0 GHABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000257275473 570774015 /nfs/dbraw/zinc/77/40/15/570774015.db2.gz NPOLPRXMUIBQID-QFIPXVFZSA-N 1 2 399.441 3.883 40 0 GHABLO Fc1ccc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000257275473 570774017 /nfs/dbraw/zinc/77/40/17/570774017.db2.gz NPOLPRXMUIBQID-QFIPXVFZSA-N 1 2 399.441 3.883 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccnc5)CCN4C)nnn3c2)cc1 ZINC000306125382 570936446 /nfs/dbraw/zinc/93/64/46/570936446.db2.gz COBVWZCWYFCZHL-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccnc5)CCN4C)nnn3c2)cc1 ZINC000306125382 570936447 /nfs/dbraw/zinc/93/64/47/570936447.db2.gz COBVWZCWYFCZHL-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306133911 570941020 /nfs/dbraw/zinc/94/10/20/570941020.db2.gz MZDDKSFCEUBXRX-WIYYLYMNSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306133911 570941022 /nfs/dbraw/zinc/94/10/22/570941022.db2.gz MZDDKSFCEUBXRX-WIYYLYMNSA-N 1 2 396.537 3.874 40 0 GHABLO CCCN(C)C(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306137250 570943327 /nfs/dbraw/zinc/94/33/27/570943327.db2.gz QQMKPVSFFAXIHI-IBGZPJMESA-N 1 2 377.492 3.548 40 0 GHABLO CCCN(C)C(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306137250 570943331 /nfs/dbraw/zinc/94/33/31/570943331.db2.gz QQMKPVSFFAXIHI-IBGZPJMESA-N 1 2 377.492 3.548 40 0 GHABLO COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)c(OC)c1 ZINC000019552132 571001560 /nfs/dbraw/zinc/00/15/60/571001560.db2.gz MCOLJFAVJGXDSR-NRFANRHFSA-N 1 2 391.471 3.926 40 0 GHABLO COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)o2)c(OC)c1 ZINC000019552128 571001607 /nfs/dbraw/zinc/00/16/07/571001607.db2.gz RKSCDKUAJHBCOX-SFHVURJKSA-N 1 2 381.432 3.519 40 0 GHABLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2 ZINC000019657934 571024354 /nfs/dbraw/zinc/02/43/54/571024354.db2.gz CDUOYAULIOFQKM-UHFFFAOYSA-N 1 2 389.496 3.643 40 0 GHABLO Cc1cccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)Cc2ccccc2)n1 ZINC000019664425 571027109 /nfs/dbraw/zinc/02/71/09/571027109.db2.gz QCAHUUNOUFBJCP-UHFFFAOYSA-N 1 2 394.544 3.886 40 0 GHABLO Cc1cccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)Cc2ccccc2)n1 ZINC000019664425 571027113 /nfs/dbraw/zinc/02/71/13/571027113.db2.gz QCAHUUNOUFBJCP-UHFFFAOYSA-N 1 2 394.544 3.886 40 0 GHABLO CCn1cc(-c2cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)no2)cn1 ZINC000019665245 571027472 /nfs/dbraw/zinc/02/74/72/571027472.db2.gz QEQSXMYRTCXHGO-UHFFFAOYSA-N 1 2 378.436 3.984 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016899 212093800 /nfs/dbraw/zinc/09/38/00/212093800.db2.gz NJZFKSWUNROTKO-ZDUSSCGKSA-N 1 2 386.402 3.703 40 0 GHABLO CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000328986400 212092120 /nfs/dbraw/zinc/09/21/20/212092120.db2.gz HYGYORBONLICLM-UHFFFAOYSA-N 1 2 398.308 3.577 40 0 GHABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329004431 212091561 /nfs/dbraw/zinc/09/15/61/212091561.db2.gz KSQZNHXARNIRHD-UHFFFAOYSA-N 1 2 382.895 3.796 40 0 GHABLO Fc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000328972166 212090742 /nfs/dbraw/zinc/09/07/42/212090742.db2.gz DUQFTZKRPSTCLJ-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO O[C@@H]1CCCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000012221793 221169504 /nfs/dbraw/zinc/16/95/04/221169504.db2.gz RLRYNXRMRAHVDD-GFCCVEGCSA-N 1 2 390.274 3.802 40 0 GHABLO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019136130 221399267 /nfs/dbraw/zinc/39/92/67/221399267.db2.gz GWIBRNVPNKFWLL-UWJYYQICSA-N 1 2 378.520 3.630 40 0 GHABLO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019136130 221399269 /nfs/dbraw/zinc/39/92/69/221399269.db2.gz GWIBRNVPNKFWLL-UWJYYQICSA-N 1 2 378.520 3.630 40 0 GHABLO CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320798 222226117 /nfs/dbraw/zinc/22/61/17/222226117.db2.gz VBLQAYFYJLLXRC-ULQDDVLXSA-N 1 2 375.538 3.509 40 0 biogenic,in-vitro GHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350537 222237980 /nfs/dbraw/zinc/23/79/80/222237980.db2.gz FSMUCYKYXHPIGD-QGZVFWFLSA-N 1 2 393.466 3.945 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072373128 222242889 /nfs/dbraw/zinc/24/28/89/222242889.db2.gz XACLLCBHLYTWQT-ZWKOTPCHSA-N 1 2 392.503 3.662 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072373128 222242894 /nfs/dbraw/zinc/24/28/94/222242894.db2.gz XACLLCBHLYTWQT-ZWKOTPCHSA-N 1 2 392.503 3.662 40 0 GHABLO Cc1nc(N2CCOCC2)sc1-c1c[nH+]cn1CCCOc1cccc(C)c1 ZINC000019719376 570210464 /nfs/dbraw/zinc/21/04/64/570210464.db2.gz WAIOMLGUIYDHQK-UHFFFAOYSA-N 1 2 398.532 3.929 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329010797 570212039 /nfs/dbraw/zinc/21/20/39/570212039.db2.gz MBTSFCRLWIUQPM-INIZCTEOSA-N 1 2 391.313 3.711 40 0 GHABLO COc1cccc(N2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000057450623 570363757 /nfs/dbraw/zinc/36/37/57/570363757.db2.gz NSQCFVGESWZDMW-UHFFFAOYSA-N 1 2 375.472 3.609 40 0 GHABLO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000031666680 570505209 /nfs/dbraw/zinc/50/52/09/570505209.db2.gz OGBDGIFZAPGRAY-OAHLLOKOSA-N 1 2 381.303 3.555 40 0 GHABLO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)Nc1ccc(F)cc1F ZINC000038535511 570580987 /nfs/dbraw/zinc/58/09/87/570580987.db2.gz ZVBZTSNGSQSNOI-UHFFFAOYSA-N 1 2 384.430 3.665 40 0 GHABLO CCC[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n32)C1 ZINC000004833253 570633948 /nfs/dbraw/zinc/63/39/48/570633948.db2.gz PMMXDQKLJMZPON-UHFFFAOYSA-N 1 2 397.529 3.526 40 0 GHABLO CCC[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n32)C1 ZINC000004833253 570633953 /nfs/dbraw/zinc/63/39/53/570633953.db2.gz PMMXDQKLJMZPON-UHFFFAOYSA-N 1 2 397.529 3.526 40 0 GHABLO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4ccccc4F)CCO3)n2)cc1 ZINC000257206842 570760654 /nfs/dbraw/zinc/76/06/54/570760654.db2.gz BFBZJTNJVZOJSH-QFIPXVFZSA-N 1 2 379.435 3.865 40 0 GHABLO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccccc4F)CCO3)n2)cc1 ZINC000257206842 570760659 /nfs/dbraw/zinc/76/06/59/570760659.db2.gz BFBZJTNJVZOJSH-QFIPXVFZSA-N 1 2 379.435 3.865 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257227011 570764104 /nfs/dbraw/zinc/76/41/04/570764104.db2.gz FNGGHFVWCLVWOF-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257227011 570764107 /nfs/dbraw/zinc/76/41/07/570764107.db2.gz FNGGHFVWCLVWOF-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000257321711 570781249 /nfs/dbraw/zinc/78/12/49/570781249.db2.gz WCVVBNFUTWACCA-LJQANCHMSA-N 1 2 378.480 3.882 40 0 GHABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000257321711 570781252 /nfs/dbraw/zinc/78/12/52/570781252.db2.gz WCVVBNFUTWACCA-LJQANCHMSA-N 1 2 378.480 3.882 40 0 GHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3[NH2+]Cc2nccs2)cc1 ZINC000306124607 570936452 /nfs/dbraw/zinc/93/64/52/570936452.db2.gz BUGBKOSGORHNHO-AWEZNQCLSA-N 1 2 380.395 3.709 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306132615 570940577 /nfs/dbraw/zinc/94/05/77/570940577.db2.gz LNWROMASFRUGQM-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306132615 570940579 /nfs/dbraw/zinc/94/05/79/570940579.db2.gz LNWROMASFRUGQM-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306133910 570940768 /nfs/dbraw/zinc/94/07/68/570940768.db2.gz MZDDKSFCEUBXRX-RXVVDRJESA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306133910 570940774 /nfs/dbraw/zinc/94/07/74/570940774.db2.gz MZDDKSFCEUBXRX-RXVVDRJESA-N 1 2 396.537 3.874 40 0 GHABLO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306136775 570942487 /nfs/dbraw/zinc/94/24/87/570942487.db2.gz QCWDXKIBPXIIOW-OAQYLSRUSA-N 1 2 391.450 3.617 40 0 GHABLO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306136775 570942489 /nfs/dbraw/zinc/94/24/89/570942489.db2.gz QCWDXKIBPXIIOW-OAQYLSRUSA-N 1 2 391.450 3.617 40 0 GHABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2cccc(F)c2C)CC3)cc1 ZINC000585111174 570944958 /nfs/dbraw/zinc/94/49/58/570944958.db2.gz HOUVAPBGAHOACY-UHFFFAOYSA-N 1 2 379.435 3.705 40 0 GHABLO O[C@H](c1ccccn1)c1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019347807 570977955 /nfs/dbraw/zinc/97/79/55/570977955.db2.gz MDFCRTXESKNMCB-QHCPKHFHSA-N 1 2 395.453 3.764 40 0 GHABLO Cc1onc(C(=O)Nc2ccc3nc(Cc4ccccc4)[nH]c3c2)c1C[NH+](C)C ZINC000019714779 571036498 /nfs/dbraw/zinc/03/64/98/571036498.db2.gz CUXOSXITWLSFHY-UHFFFAOYSA-N 1 2 389.459 3.764 40 0 GHABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095533860 860614143 /nfs/dbraw/zinc/61/41/43/860614143.db2.gz YOMPWIZUBHZVPL-HNNXBMFYSA-N 1 2 378.354 3.556 40 0 GHABLO CCOC(=O)c1c[nH+]c2cc3c(cc2c1Nc1ccc2c(c1)OCO2)OCO3 ZINC000001586156 212250512 /nfs/dbraw/zinc/25/05/12/212250512.db2.gz OQSNJMVIXHTKAM-UHFFFAOYSA-N 1 2 380.356 3.613 40 0 GHABLO C[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329065620 212095326 /nfs/dbraw/zinc/09/53/26/212095326.db2.gz XSOWDVMQTKKCHB-GFCCVEGCSA-N 1 2 389.286 3.831 40 0 GHABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(N[C@@H](CO)C(C)C)n3)ccc2s1 ZINC000328970780 212090570 /nfs/dbraw/zinc/09/05/70/212090570.db2.gz DMLHNAFLLNWNAG-KRWDZBQOSA-N 1 2 383.521 3.866 40 0 GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675798 221338686 /nfs/dbraw/zinc/33/86/86/221338686.db2.gz MMQZEDPXNVUJCD-KRWDZBQOSA-N 1 2 379.464 3.830 40 0 biogenic,in-vitro GHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675798 221338687 /nfs/dbraw/zinc/33/86/87/221338687.db2.gz MMQZEDPXNVUJCD-KRWDZBQOSA-N 1 2 379.464 3.830 40 0 biogenic,in-vitro GHABLO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019133491 221398867 /nfs/dbraw/zinc/39/88/67/221398867.db2.gz QXNFWICIWBSPDX-IBGZPJMESA-N 1 2 376.460 3.898 40 0 GHABLO COc1ccc(C)cc1C[N@H+]1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019133491 221398868 /nfs/dbraw/zinc/39/88/68/221398868.db2.gz QXNFWICIWBSPDX-IBGZPJMESA-N 1 2 376.460 3.898 40 0 GHABLO Fc1cnc(N2CCC3(CC2)C[N@H+](Cc2nccs2)Cc2ccccc23)nc1 ZINC000096242623 136185590 /nfs/dbraw/zinc/18/55/90/136185590.db2.gz XDGZMCNDNVFNAG-UHFFFAOYSA-N 1 2 395.507 3.626 40 0 GHABLO Fc1cnc(N2CCC3(CC2)C[N@@H+](Cc2nccs2)Cc2ccccc23)nc1 ZINC000096242623 136185591 /nfs/dbraw/zinc/18/55/91/136185591.db2.gz XDGZMCNDNVFNAG-UHFFFAOYSA-N 1 2 395.507 3.626 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000219853474 136204367 /nfs/dbraw/zinc/20/43/67/136204367.db2.gz GKZYXUXVINWZLN-UHFFFAOYSA-N 1 2 381.495 3.699 40 0 GHABLO COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378484 222244052 /nfs/dbraw/zinc/24/40/52/222244052.db2.gz XWXIBMPYTQEIMK-IBGZPJMESA-N 1 2 390.487 3.615 40 0 GHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378855 222245449 /nfs/dbraw/zinc/24/54/49/222245449.db2.gz SXAHWHVYLPQJGQ-QGZVFWFLSA-N 1 2 378.451 3.989 40 0 GHABLO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053315 222374609 /nfs/dbraw/zinc/37/46/09/222374609.db2.gz KXPVVRPTTKALRJ-QGZVFWFLSA-N 1 2 399.560 3.959 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000107249379 570309108 /nfs/dbraw/zinc/30/91/08/570309108.db2.gz BXCIPSYHFXRPMJ-VQIMIIECSA-N 1 2 375.299 3.879 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000107249379 570309110 /nfs/dbraw/zinc/30/91/10/570309110.db2.gz BXCIPSYHFXRPMJ-VQIMIIECSA-N 1 2 375.299 3.879 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N2CCCC2)cc1 ZINC000072216020 570316820 /nfs/dbraw/zinc/31/68/20/570316820.db2.gz QMZBINYQVUYGFC-HXUWFJFHSA-N 1 2 385.533 3.906 40 0 GHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669882 570367545 /nfs/dbraw/zinc/36/75/45/570367545.db2.gz MEAGREADLZFFCG-HXUWFJFHSA-N 1 2 384.572 3.954 40 0 GHABLO CC(C)Oc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778684 570616285 /nfs/dbraw/zinc/61/62/85/570616285.db2.gz HXFYLRUVJAYCGO-UHFFFAOYSA-N 1 2 399.560 3.793 40 0 GHABLO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000033936901 570647221 /nfs/dbraw/zinc/64/72/21/570647221.db2.gz CBHBBKLIELWRQS-KXBFYZLASA-N 1 2 383.521 3.613 40 0 GHABLO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000033936901 570647225 /nfs/dbraw/zinc/64/72/25/570647225.db2.gz CBHBBKLIELWRQS-KXBFYZLASA-N 1 2 383.521 3.613 40 0 GHABLO Cc1ccc(Cc2cc(C)nc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257201799 570760136 /nfs/dbraw/zinc/76/01/36/570760136.db2.gz AJBZCCMGGRJIJC-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1ccc(Cc2cc(C)nc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257201799 570760140 /nfs/dbraw/zinc/76/01/40/570760140.db2.gz AJBZCCMGGRJIJC-QHCPKHFHSA-N 1 2 376.504 3.596 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257220602 570762552 /nfs/dbraw/zinc/76/25/52/570762552.db2.gz DLJPLDUMFYULSD-GOSISDBHSA-N 1 2 384.867 3.869 40 0 GHABLO c1coc(CN2C[NH+]=C3N[C@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000009262488 570774694 /nfs/dbraw/zinc/77/46/94/570774694.db2.gz AVFKSGOCVPGUKG-JXFKEZNVSA-N 1 2 388.475 3.681 40 0 GHABLO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000022997412 570775556 /nfs/dbraw/zinc/77/55/56/570775556.db2.gz KDIVIHRGVVJPEJ-UHFFFAOYSA-N 1 2 381.929 3.805 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306127010 570937387 /nfs/dbraw/zinc/93/73/87/570937387.db2.gz FLJLGRLPYUUMSH-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306127010 570937388 /nfs/dbraw/zinc/93/73/88/570937388.db2.gz FLJLGRLPYUUMSH-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306134768 570941642 /nfs/dbraw/zinc/94/16/42/570941642.db2.gz NXTOUFDGIQVKTC-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306134768 570941644 /nfs/dbraw/zinc/94/16/44/570941644.db2.gz NXTOUFDGIQVKTC-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccco5)CCN4C)nnn3c2)cc1 ZINC000306143096 570945737 /nfs/dbraw/zinc/94/57/37/570945737.db2.gz XTGUCTXKCOHVFA-QFIPXVFZSA-N 1 2 387.487 3.786 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccco5)CCN4C)nnn3c2)cc1 ZINC000306143096 570945739 /nfs/dbraw/zinc/94/57/39/570945739.db2.gz XTGUCTXKCOHVFA-QFIPXVFZSA-N 1 2 387.487 3.786 40 0 GHABLO CC(=O)N1CCc2cc(NC(=O)[C@H](C)Cn3c(C)[nH+]c4ccccc43)ccc21 ZINC000019286745 570970144 /nfs/dbraw/zinc/97/01/44/570970144.db2.gz PSBXUTQMJGYDLP-CQSZACIVSA-N 1 2 376.460 3.529 40 0 GHABLO O=C(CSc1ccc2ccccc2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019691381 571029827 /nfs/dbraw/zinc/02/98/27/571029827.db2.gz NFQCOBUQSBDTGU-UHFFFAOYSA-N 1 2 377.513 3.671 40 0 GHABLO O=C(Nc1ccccc1OC[C@H]1CCCCO1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019349959 856420742 /nfs/dbraw/zinc/42/07/42/856420742.db2.gz JBTWYULLUMZOFM-RTBURBONSA-N 1 2 395.503 3.885 40 0 GHABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000224351828 222655065 /nfs/dbraw/zinc/65/50/65/222655065.db2.gz IJHLAHHLXZUFSC-UHFFFAOYSA-N 1 2 380.279 3.702 40 0 GHABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329050721 212094527 /nfs/dbraw/zinc/09/45/27/212094527.db2.gz UUNNEURQXGSLMO-OAQYLSRUSA-N 1 2 392.503 3.615 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329061249 212095173 /nfs/dbraw/zinc/09/51/73/212095173.db2.gz WPQLWKHBBKHGMX-INIZCTEOSA-N 1 2 396.413 3.847 40 0 GHABLO Cc1cccc(C2(O)CCN(C(=O)CCc3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)c1 ZINC000012147514 221160514 /nfs/dbraw/zinc/16/05/14/221160514.db2.gz XXAIHAUHQHDYSS-UHFFFAOYSA-N 1 2 391.515 3.931 40 0 GHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3cccs3)n2)cc1 ZINC000015675699 221338338 /nfs/dbraw/zinc/33/83/38/221338338.db2.gz RIAJBXSMUWAGDP-SFHVURJKSA-N 1 2 393.472 3.829 40 0 biogenic,in-vitro GHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccccc3)n2)cc1 ZINC000015675686 221338402 /nfs/dbraw/zinc/33/84/02/221338402.db2.gz FMZRMBOYCVZJRH-FQEVSTJZSA-N 1 2 387.443 3.768 40 0 biogenic,in-vitro GHABLO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)cc1 ZINC000219865967 136204381 /nfs/dbraw/zinc/20/43/81/136204381.db2.gz VDVRWKPRPVQAGL-UHFFFAOYSA-N 1 2 390.487 3.886 40 0 GHABLO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053152 222374211 /nfs/dbraw/zinc/37/42/11/222374211.db2.gz YMHOBWZORXYZFG-INIZCTEOSA-N 1 2 385.533 3.522 40 0 GHABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288633 560034285 /nfs/dbraw/zinc/03/42/85/560034285.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N 1 2 399.441 3.997 40 0 biogenic,in-vitro GHABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288633 560034287 /nfs/dbraw/zinc/03/42/87/560034287.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N 1 2 399.441 3.997 40 0 biogenic,in-vitro GHABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C[N@@H+]2C)n1 ZINC000030879550 560090096 /nfs/dbraw/zinc/09/00/96/560090096.db2.gz SSXVGVRZFGGCPR-KBPBESRZSA-N 1 2 397.401 3.779 40 0 biogenic,in-vitro GHABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C[N@H+]2C)n1 ZINC000030879550 560090097 /nfs/dbraw/zinc/09/00/97/560090097.db2.gz SSXVGVRZFGGCPR-KBPBESRZSA-N 1 2 397.401 3.779 40 0 biogenic,in-vitro GHABLO Fc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329018792 570213031 /nfs/dbraw/zinc/21/30/31/570213031.db2.gz NSKPPVRTTSOEMI-UHFFFAOYSA-N 1 2 381.430 3.627 40 0 GHABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670551 570368176 /nfs/dbraw/zinc/36/81/76/570368176.db2.gz ZQVVSGQIDKSQTP-OAQYLSRUSA-N 1 2 390.535 3.612 40 0 GHABLO O=S(=O)(Cc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023510876 570395124 /nfs/dbraw/zinc/39/51/24/570395124.db2.gz WQLILTULKSINLZ-QPJJXVBHSA-N 1 2 390.936 3.501 40 0 GHABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224142861 570423825 /nfs/dbraw/zinc/42/38/25/570423825.db2.gz KYDTVDBBGPZSAV-UHFFFAOYSA-N 1 2 394.401 3.806 40 0 GHABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000035314250 570468583 /nfs/dbraw/zinc/46/85/83/570468583.db2.gz SMAHQQRGABVBGS-UHFFFAOYSA-N 1 2 387.480 3.818 40 0 GHABLO COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000030754811 570494849 /nfs/dbraw/zinc/49/48/49/570494849.db2.gz DAHOMEWMXMVCJS-OAHLLOKOSA-N 1 2 397.500 3.687 40 0 GHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000888858 570511343 /nfs/dbraw/zinc/51/13/43/570511343.db2.gz SIMCJJOQTKVNOO-FQEVSTJZSA-N 1 2 392.507 3.513 40 0 GHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000891689 570512520 /nfs/dbraw/zinc/51/25/20/570512520.db2.gz PGSXKXHWWIHLQF-HXUWFJFHSA-N 1 2 392.507 3.513 40 0 GHABLO COc1ccc(C[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187248 570621353 /nfs/dbraw/zinc/62/13/53/570621353.db2.gz JMXGJZVYYOMVHM-FQEVSTJZSA-N 1 2 385.508 3.798 40 0 GHABLO COc1ccc(C[N@H+](Cc2cnc(C(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187248 570621355 /nfs/dbraw/zinc/62/13/55/570621355.db2.gz JMXGJZVYYOMVHM-FQEVSTJZSA-N 1 2 385.508 3.798 40 0 GHABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C ZINC000257203524 570760273 /nfs/dbraw/zinc/76/02/73/570760273.db2.gz AQLLTUNLEKFKMX-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C ZINC000257203524 570760274 /nfs/dbraw/zinc/76/02/74/570760274.db2.gz AQLLTUNLEKFKMX-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203157 570760322 /nfs/dbraw/zinc/76/03/22/570760322.db2.gz AOWYLCXLNCPNIE-LJQANCHMSA-N 1 2 396.520 3.570 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203157 570760325 /nfs/dbraw/zinc/76/03/25/570760325.db2.gz AOWYLCXLNCPNIE-LJQANCHMSA-N 1 2 396.520 3.570 40 0 GHABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)n1 ZINC000306127966 570937900 /nfs/dbraw/zinc/93/79/00/570937900.db2.gz GMFOVKURNVVDSJ-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1cccc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)n1 ZINC000306127966 570937904 /nfs/dbraw/zinc/93/79/04/570937904.db2.gz GMFOVKURNVVDSJ-QFIPXVFZSA-N 1 2 385.471 3.673 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306138559 570943812 /nfs/dbraw/zinc/94/38/12/570943812.db2.gz SAVKSTMRTRPJMA-NQIIRXRSSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306138559 570943814 /nfs/dbraw/zinc/94/38/14/570943814.db2.gz SAVKSTMRTRPJMA-NQIIRXRSSA-N 1 2 383.444 3.841 40 0 GHABLO [NH3+][C@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccc(Cl)cc1 ZINC000095533992 860614095 /nfs/dbraw/zinc/61/40/95/860614095.db2.gz SZGPTYOCIUKHFI-ZDUSSCGKSA-N 1 2 379.645 3.641 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027100 212093714 /nfs/dbraw/zinc/09/37/14/212093714.db2.gz PQWQQVBWCAOXGL-FQEVSTJZSA-N 1 2 380.467 3.746 40 0 GHABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329004775 212092448 /nfs/dbraw/zinc/09/24/48/212092448.db2.gz KTHGMSHIRQHOEK-LBPRGKRZSA-N 1 2 389.286 3.831 40 0 GHABLO O=C(c1ncoc1-c1ccc2ccccc2c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013565453 221274154 /nfs/dbraw/zinc/27/41/54/221274154.db2.gz CXRAUHFFEFHXMS-UHFFFAOYSA-N 1 2 398.466 3.848 40 0 GHABLO COc1ccc(-c2ncc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019558571 221426607 /nfs/dbraw/zinc/42/66/07/221426607.db2.gz VFSVZIWRTCSHII-QFIPXVFZSA-N 1 2 390.487 3.728 40 0 GHABLO COc1ccc(-c2ncc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019558571 221426608 /nfs/dbraw/zinc/42/66/08/221426608.db2.gz VFSVZIWRTCSHII-QFIPXVFZSA-N 1 2 390.487 3.728 40 0 GHABLO O[C@H](c1cccnc1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000072340661 136168593 /nfs/dbraw/zinc/16/85/93/136168593.db2.gz MYBPKDFURXOIRK-HSZRJFAPSA-N 1 2 395.453 3.764 40 0 GHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425177 560080237 /nfs/dbraw/zinc/08/02/37/560080237.db2.gz QUTNYSKSSCBBSP-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425177 560080238 /nfs/dbraw/zinc/08/02/38/560080238.db2.gz QUTNYSKSSCBBSP-SFHVURJKSA-N 1 2 397.454 3.666 40 0 biogenic,in-vitro GHABLO CC(C)[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769444 570277514 /nfs/dbraw/zinc/27/75/14/570277514.db2.gz VKBOJYGVADTPBM-QFIPXVFZSA-N 1 2 398.482 3.955 40 0 GHABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057615724 570365999 /nfs/dbraw/zinc/36/59/99/570365999.db2.gz KURZMZMUFPTZFX-MRXNPFEDSA-N 1 2 399.568 3.701 40 0 GHABLO Clc1cccc2ccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)nc12 ZINC000022931493 570379292 /nfs/dbraw/zinc/37/92/92/570379292.db2.gz OIEUFGQUBPFEDL-UHFFFAOYSA-N 1 2 396.922 3.618 40 0 GHABLO Clc1cccc2ccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)nc12 ZINC000022931493 570379295 /nfs/dbraw/zinc/37/92/95/570379295.db2.gz OIEUFGQUBPFEDL-UHFFFAOYSA-N 1 2 396.922 3.618 40 0 GHABLO Clc1cccc2ccc(CN(CC[NH+]3CCOCC3)Cc3cccnc3)nc12 ZINC000022931493 570379298 /nfs/dbraw/zinc/37/92/98/570379298.db2.gz OIEUFGQUBPFEDL-UHFFFAOYSA-N 1 2 396.922 3.618 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257288385 570776459 /nfs/dbraw/zinc/77/64/59/570776459.db2.gz PTZWQWYIKKIXOE-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257288385 570776464 /nfs/dbraw/zinc/77/64/64/570776464.db2.gz PTZWQWYIKKIXOE-JOCHJYFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 ZINC000585102333 570930506 /nfs/dbraw/zinc/93/05/06/570930506.db2.gz XFNURIFIDCLGPY-IBGZPJMESA-N 1 2 391.924 3.691 40 0 GHABLO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 ZINC000585102333 570930509 /nfs/dbraw/zinc/93/05/09/570930509.db2.gz XFNURIFIDCLGPY-IBGZPJMESA-N 1 2 391.924 3.691 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306129649 570938452 /nfs/dbraw/zinc/93/84/52/570938452.db2.gz IJABNFHYUIHZCY-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306129649 570938457 /nfs/dbraw/zinc/93/84/57/570938457.db2.gz IJABNFHYUIHZCY-AZUAARDMSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000019286670 570970182 /nfs/dbraw/zinc/97/01/82/570970182.db2.gz VSEKKMAVHARQDC-XOBRGWDASA-N 1 2 391.450 3.684 40 0 GHABLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc(-c2ccccc2F)no1 ZINC000019349197 570978610 /nfs/dbraw/zinc/97/86/10/570978610.db2.gz JUFATRCZEJAMCK-UHFFFAOYSA-N 1 2 381.407 3.565 40 0 GHABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2nonc2C)cs1 ZINC000019666277 571027628 /nfs/dbraw/zinc/02/76/28/571027628.db2.gz FYKAKLCJNCQFDR-NSHDSACASA-N 1 2 382.449 3.613 40 0 GHABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1c[nH+]cn1C)CCO2 ZINC000257237632 222761544 /nfs/dbraw/zinc/76/15/44/222761544.db2.gz HHJUEYLPBPCMBS-FKBYEOEOSA-N 1 2 387.499 3.564 40 0 GHABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329067737 212094786 /nfs/dbraw/zinc/09/47/86/212094786.db2.gz YKNWIPVBFBIHHG-INIZCTEOSA-N 1 2 391.313 3.711 40 0 GHABLO c1coc(-c2nc(NCc3ccccc3-n3cc[nH+]c3)ncc2-c2cnccn2)c1 ZINC000012087659 221149717 /nfs/dbraw/zinc/14/97/17/221149717.db2.gz UQFXGWHYFWIYEP-UHFFFAOYSA-N 1 2 395.426 3.991 40 0 GHABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000072324258 222227718 /nfs/dbraw/zinc/22/77/18/222227718.db2.gz OHWSKPHQBZTGDS-GJZGRUSLSA-N 1 2 382.439 3.544 40 0 GHABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000072324258 222227720 /nfs/dbraw/zinc/22/77/20/222227720.db2.gz OHWSKPHQBZTGDS-GJZGRUSLSA-N 1 2 382.439 3.544 40 0 GHABLO Cc1noc(CCC(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)n1 ZINC000072353228 222237759 /nfs/dbraw/zinc/23/77/59/222237759.db2.gz NAXRJRGJHAWSMT-SFHVURJKSA-N 1 2 392.463 3.516 40 0 GHABLO CN(C)C(=O)c1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352706 222237884 /nfs/dbraw/zinc/23/78/84/222237884.db2.gz XHRAWAKCTSAGFI-QFIPXVFZSA-N 1 2 393.462 3.649 40 0 GHABLO CN(C)C(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352706 222237887 /nfs/dbraw/zinc/23/78/87/222237887.db2.gz XHRAWAKCTSAGFI-QFIPXVFZSA-N 1 2 393.462 3.649 40 0 GHABLO Cc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)n1 ZINC000072353229 222238205 /nfs/dbraw/zinc/23/82/05/222238205.db2.gz NAXRJRGJHAWSMT-GOSISDBHSA-N 1 2 392.463 3.516 40 0 GHABLO CNc1nc([C@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372193 222241921 /nfs/dbraw/zinc/24/19/21/222241921.db2.gz RHJCAXOEBPXZHD-LJQANCHMSA-N 1 2 385.556 3.530 40 0 GHABLO CNc1nc([C@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372193 222241923 /nfs/dbraw/zinc/24/19/23/222241923.db2.gz RHJCAXOEBPXZHD-LJQANCHMSA-N 1 2 385.556 3.530 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378481 222243804 /nfs/dbraw/zinc/24/38/04/222243804.db2.gz BMQHUXCXQGLIEN-LJQANCHMSA-N 1 2 393.466 3.831 40 0 GHABLO COc1ccc2cc(C(=O)N3CC[N@H+](Cc4ccco4)C[C@@H]3C(C)C)[nH]c2c1 ZINC000072389434 222246560 /nfs/dbraw/zinc/24/65/60/222246560.db2.gz FDJPCJXFTLWLQW-OAQYLSRUSA-N 1 2 381.476 3.752 40 0 GHABLO COc1ccc2cc(C(=O)N3CC[N@@H+](Cc4ccco4)C[C@@H]3C(C)C)[nH]c2c1 ZINC000072389434 222246565 /nfs/dbraw/zinc/24/65/65/222246565.db2.gz FDJPCJXFTLWLQW-OAQYLSRUSA-N 1 2 381.476 3.752 40 0 GHABLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075748 222377181 /nfs/dbraw/zinc/37/71/81/222377181.db2.gz KNVNPAUFSTVXNR-HXOBKFHXSA-N 1 2 390.487 3.686 40 0 GHABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccnc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111788 222381961 /nfs/dbraw/zinc/38/19/61/222381961.db2.gz ODEZFQMRXQXNPH-UNMCSNQZSA-N 1 2 385.467 3.650 40 0 biogenic,in-vitro GHABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccnc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111788 222381963 /nfs/dbraw/zinc/38/19/63/222381963.db2.gz ODEZFQMRXQXNPH-UNMCSNQZSA-N 1 2 385.467 3.650 40 0 biogenic,in-vitro GHABLO COc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C)c(C)cc3[nH]2)C1 ZINC000096112339 222382002 /nfs/dbraw/zinc/38/20/02/222382002.db2.gz WRMIIEMLKLKOBN-UTKZUKDTSA-N 1 2 383.467 3.927 40 0 biogenic,in-vitro GHABLO COc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C)c(C)cc3[nH]2)C1 ZINC000096112339 222382006 /nfs/dbraw/zinc/38/20/06/222382006.db2.gz WRMIIEMLKLKOBN-UTKZUKDTSA-N 1 2 383.467 3.927 40 0 biogenic,in-vitro GHABLO COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000514290024 560030811 /nfs/dbraw/zinc/03/08/11/560030811.db2.gz RKDAXTYJKJMNGS-ROUUACIJSA-N 1 2 393.487 3.727 40 0 biogenic,in-vitro GHABLO COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000514290024 560030812 /nfs/dbraw/zinc/03/08/12/560030812.db2.gz RKDAXTYJKJMNGS-ROUUACIJSA-N 1 2 393.487 3.727 40 0 biogenic,in-vitro GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000096244875 570224136 /nfs/dbraw/zinc/22/41/36/570224136.db2.gz BXCIPSYHFXRPMJ-LPHOPBHVSA-N 1 2 375.299 3.879 40 0 GHABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000096244875 570224139 /nfs/dbraw/zinc/22/41/39/570224139.db2.gz BXCIPSYHFXRPMJ-LPHOPBHVSA-N 1 2 375.299 3.879 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000408575246 570342363 /nfs/dbraw/zinc/34/23/63/570342363.db2.gz NJRNLDKWPWHTJY-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO CCC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669479 570366663 /nfs/dbraw/zinc/36/66/63/570366663.db2.gz BXCJZRZVOPDDFF-NRFANRHFSA-N 1 2 398.555 3.850 40 0 GHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670622 570368375 /nfs/dbraw/zinc/36/83/75/570368375.db2.gz QJRHLGZEORQVCT-NRFANRHFSA-N 1 2 394.498 3.524 40 0 GHABLO CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222795605 570426115 /nfs/dbraw/zinc/42/61/15/570426115.db2.gz VTHXTYQVVYMRLX-RTWAWAEBSA-N 1 2 391.544 3.931 40 0 GHABLO Cc1nc(Nc2cccc([C@@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)n2)sc1C ZINC000257205853 570760734 /nfs/dbraw/zinc/76/07/34/570760734.db2.gz BAVXQOGJXZPYSB-SFHVURJKSA-N 1 2 398.536 3.514 40 0 GHABLO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)n2)sc1C ZINC000257205853 570760736 /nfs/dbraw/zinc/76/07/36/570760736.db2.gz BAVXQOGJXZPYSB-SFHVURJKSA-N 1 2 398.536 3.514 40 0 GHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)cc[nH+]1 ZINC000257293149 570776997 /nfs/dbraw/zinc/77/69/97/570776997.db2.gz QOIUMXDBVRECNI-FQEVSTJZSA-N 1 2 397.494 3.965 40 0 GHABLO CCn1ccnc1C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257314828 570780536 /nfs/dbraw/zinc/78/05/36/570780536.db2.gz UYQKDEURFOOJOY-IPJJNNNSSA-N 1 2 384.499 3.807 40 0 GHABLO CCn1ccnc1C[N@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257314828 570780541 /nfs/dbraw/zinc/78/05/41/570780541.db2.gz UYQKDEURFOOJOY-IPJJNNNSSA-N 1 2 384.499 3.807 40 0 GHABLO Cn1cncc1C[NH+]1CC2(C1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 ZINC000257337279 570784038 /nfs/dbraw/zinc/78/40/38/570784038.db2.gz YSCYIXVGNPTMBN-PKOBYXMFSA-N 1 2 387.911 3.824 40 0 GHABLO Cn1c[nH+]cc1CN1CC2(C1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 ZINC000257337279 570784042 /nfs/dbraw/zinc/78/40/42/570784042.db2.gz YSCYIXVGNPTMBN-PKOBYXMFSA-N 1 2 387.911 3.824 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306131737 570939908 /nfs/dbraw/zinc/93/99/08/570939908.db2.gz KOGWDSGFBLFTQO-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306131737 570939909 /nfs/dbraw/zinc/93/99/09/570939909.db2.gz KOGWDSGFBLFTQO-PZJWPPBQSA-N 1 2 383.444 3.841 40 0 GHABLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1cccs1)Cc1c2nc(C)n1C(C)C ZINC000306137905 570943167 /nfs/dbraw/zinc/94/31/67/570943167.db2.gz RJUHSDDOYVYGNK-UHFFFAOYSA-N 1 2 386.565 3.730 40 0 GHABLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cccs1)Cc1c2nc(C)n1C(C)C ZINC000306137905 570943173 /nfs/dbraw/zinc/94/31/73/570943173.db2.gz RJUHSDDOYVYGNK-UHFFFAOYSA-N 1 2 386.565 3.730 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccncc5)CCN4C)nnn3c2)cc1 ZINC000306142139 570945804 /nfs/dbraw/zinc/94/58/04/570945804.db2.gz WQXLQHIDYHXZEM-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccncc5)CCN4C)nnn3c2)cc1 ZINC000306142139 570945805 /nfs/dbraw/zinc/94/58/05/570945805.db2.gz WQXLQHIDYHXZEM-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)Nc2nnc(C(C)C)s2)C1 ZINC000019524416 570996492 /nfs/dbraw/zinc/99/64/92/570996492.db2.gz SICYZTXTVLTWMU-CQSZACIVSA-N 1 2 398.536 3.886 40 0 GHABLO COc1cccc(C[N@@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1OC ZINC000019568009 571008679 /nfs/dbraw/zinc/00/86/79/571008679.db2.gz IKIFXCVIPYVSHE-NRFANRHFSA-N 1 2 382.435 3.965 40 0 GHABLO COc1cccc(C[N@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1OC ZINC000019568009 571008682 /nfs/dbraw/zinc/00/86/82/571008682.db2.gz IKIFXCVIPYVSHE-NRFANRHFSA-N 1 2 382.435 3.965 40 0 GHABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(C)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529729 291133726 /nfs/dbraw/zinc/13/37/26/291133726.db2.gz XWDLJDFICLMZBL-OALUTQOASA-N 1 2 376.460 3.529 40 0 biogenic,in-vitro GHABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(C)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529729 291133730 /nfs/dbraw/zinc/13/37/30/291133730.db2.gz XWDLJDFICLMZBL-OALUTQOASA-N 1 2 376.460 3.529 40 0 biogenic,in-vitro GHABLO COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329030388 212093608 /nfs/dbraw/zinc/09/36/08/212093608.db2.gz QEKQULCCDVEJHE-MRXNPFEDSA-N 1 2 376.888 3.610 40 0 GHABLO CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328995914 212092346 /nfs/dbraw/zinc/09/23/46/212092346.db2.gz JJERDBJGONUBOV-UHFFFAOYSA-N 1 2 379.773 3.840 40 0 GHABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328974293 212090126 /nfs/dbraw/zinc/09/01/26/212090126.db2.gz FFIWLXUHQCIHNF-UHFFFAOYSA-N 1 2 387.203 3.764 40 0 GHABLO O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCCn1cc[nH+]c1 ZINC000012116807 221152014 /nfs/dbraw/zinc/15/20/14/221152014.db2.gz LWQUXMIPIHNZJM-UHFFFAOYSA-N 1 2 379.489 3.558 40 0 GHABLO Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c2cccc(C)c2[nH+]1 ZINC000012202614 221166289 /nfs/dbraw/zinc/16/62/89/221166289.db2.gz GSHONUBJIDPOIL-UHFFFAOYSA-N 1 2 388.427 3.597 40 0 GHABLO CC[NH+](CC)[C@H]1COc2c(Br)c(C)c(Br)cc2C1=O ZINC000055116633 222016903 /nfs/dbraw/zinc/01/69/03/222016903.db2.gz MVYDGCAPNDUWFZ-NSHDSACASA-N 1 2 391.103 3.806 40 0 GHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3scnc3C)CC2)n1 ZINC000072378607 222244763 /nfs/dbraw/zinc/24/47/63/222244763.db2.gz OHLIMZRGNCPMEQ-UHFFFAOYSA-N 1 2 381.505 3.614 40 0 GHABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289335 560032996 /nfs/dbraw/zinc/03/29/96/560032996.db2.gz QNIHRFCGWJMIEC-ROUUACIJSA-N 1 2 393.487 3.727 40 0 biogenic,in-vitro GHABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289335 560032997 /nfs/dbraw/zinc/03/29/97/560032997.db2.gz QNIHRFCGWJMIEC-ROUUACIJSA-N 1 2 393.487 3.727 40 0 biogenic,in-vitro GHABLO CCn1c2ccc(-c3c[nH+]cn3CCCn3nc(C)cc3C)cc2n(CC)c1=O ZINC000019719644 570210568 /nfs/dbraw/zinc/21/05/68/570210568.db2.gz XWSXBOVSQCQHDA-UHFFFAOYSA-N 1 2 392.507 3.610 40 0 GHABLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000020493024 570263354 /nfs/dbraw/zinc/26/33/54/570263354.db2.gz RWHSJUSNKZUSGT-NBILRRPASA-N 1 2 378.516 3.928 40 0 GHABLO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000115994852 570343698 /nfs/dbraw/zinc/34/36/98/570343698.db2.gz ZEAVOYPIRGZICG-UHFFFAOYSA-N 1 2 375.350 3.586 40 0 GHABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857335 570588237 /nfs/dbraw/zinc/58/82/37/570588237.db2.gz LKTIYVJSTLPSGJ-UHFFFAOYSA-N 1 2 380.879 3.547 40 0 GHABLO COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000004847677 570634404 /nfs/dbraw/zinc/63/44/04/570634404.db2.gz HQGCKVIZPKEWPH-NRFANRHFSA-N 1 2 395.482 3.690 40 0 GHABLO CC(C)(C)n1nnnc1[C@@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925494 570649224 /nfs/dbraw/zinc/64/92/24/570649224.db2.gz LLIAZXYCYNBBHB-OAQYLSRUSA-N 1 2 390.535 3.867 40 0 GHABLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000054173010 570676350 /nfs/dbraw/zinc/67/63/50/570676350.db2.gz ATKLHBPGIJNDJU-SHUWCMERSA-N 1 2 381.564 3.530 40 0 GHABLO O=C(NCC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccn1)c1cccs1 ZINC000057797329 570703645 /nfs/dbraw/zinc/70/36/45/570703645.db2.gz DOXHEGWAHWWJQJ-UHFFFAOYSA-N 1 2 387.455 3.854 40 0 GHABLO O=C(NCC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccn1)c1cccs1 ZINC000057797329 570703649 /nfs/dbraw/zinc/70/36/49/570703649.db2.gz DOXHEGWAHWWJQJ-UHFFFAOYSA-N 1 2 387.455 3.854 40 0 GHABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257206190 570760634 /nfs/dbraw/zinc/76/06/34/570760634.db2.gz BCGGVYNWVSJAEX-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1c(F)cccc1NC(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257206190 570760639 /nfs/dbraw/zinc/76/06/39/570760639.db2.gz BCGGVYNWVSJAEX-GMAHTHKFSA-N 1 2 398.478 3.523 40 0 GHABLO Cc1cc(Cc2ccccc2C)cc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257216914 570762156 /nfs/dbraw/zinc/76/21/56/570762156.db2.gz CWQPPSQWMWVYQB-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1cc(Cc2ccccc2C)cc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257216914 570762158 /nfs/dbraw/zinc/76/21/58/570762158.db2.gz CWQPPSQWMWVYQB-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3C)c2)C1 ZINC000257214709 570762172 /nfs/dbraw/zinc/76/21/72/570762172.db2.gz CNDYNWALTHQNJY-LJQANCHMSA-N 1 2 375.476 3.728 40 0 GHABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCc3cn(C)c[nH+]3)ccc1OC2(C)C ZINC000257227878 570764759 /nfs/dbraw/zinc/76/47/59/570764759.db2.gz FRIUWFYVJLNZQY-KBRIMQKVSA-N 1 2 383.492 3.747 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257248626 570769815 /nfs/dbraw/zinc/76/98/15/570769815.db2.gz JEMVUDKXFLGQQJ-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257248626 570769818 /nfs/dbraw/zinc/76/98/18/570769818.db2.gz JEMVUDKXFLGQQJ-QFIPXVFZSA-N 1 2 396.922 3.941 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257344732 570785113 /nfs/dbraw/zinc/78/51/13/570785113.db2.gz ZYLRGWYVHNNCHZ-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257344732 570785114 /nfs/dbraw/zinc/78/51/14/570785114.db2.gz ZYLRGWYVHNNCHZ-HSZRJFAPSA-N 1 2 376.504 3.596 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306124541 570936138 /nfs/dbraw/zinc/93/61/38/570936138.db2.gz BTIRPXYHHIPDBC-PZJWPPBQSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306124541 570936142 /nfs/dbraw/zinc/93/61/42/570936142.db2.gz BTIRPXYHHIPDBC-PZJWPPBQSA-N 1 2 396.537 3.874 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306132614 570940316 /nfs/dbraw/zinc/94/03/16/570940316.db2.gz LNWROMASFRUGQM-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306132614 570940318 /nfs/dbraw/zinc/94/03/18/570940318.db2.gz LNWROMASFRUGQM-CTNGQTDRSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141140 570945285 /nfs/dbraw/zinc/94/52/85/570945285.db2.gz VMCLTYFXCYAYDP-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141140 570945286 /nfs/dbraw/zinc/94/52/86/570945286.db2.gz VMCLTYFXCYAYDP-PXNSSMCTSA-N 1 2 382.510 3.565 40 0 GHABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 ZINC000019291203 570971826 /nfs/dbraw/zinc/97/18/26/570971826.db2.gz NKRXPUPHBHQCRW-IBGZPJMESA-N 1 2 394.381 3.873 40 0 GHABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000019588980 571016168 /nfs/dbraw/zinc/01/61/68/571016168.db2.gz MEMBWAIPFHQYGK-LJQANCHMSA-N 1 2 396.560 3.772 40 0 GHABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000019588980 571016173 /nfs/dbraw/zinc/01/61/73/571016173.db2.gz MEMBWAIPFHQYGK-LJQANCHMSA-N 1 2 396.560 3.772 40 0 GHABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095534289 860614422 /nfs/dbraw/zinc/61/44/22/860614422.db2.gz KDXDUYQJODEXCF-MRXNPFEDSA-N 1 2 392.381 3.946 40 0 GHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000012116374 221152379 /nfs/dbraw/zinc/15/23/79/221152379.db2.gz ULNLTIHBUMKULM-UHFFFAOYSA-N 1 2 392.503 3.598 40 0 GHABLO O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378820 222245868 /nfs/dbraw/zinc/24/58/68/222245868.db2.gz ZFHSPNNVBFXXPA-GOSISDBHSA-N 1 2 378.451 3.745 40 0 GHABLO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053316 222374041 /nfs/dbraw/zinc/37/40/41/222374041.db2.gz KXPVVRPTTKALRJ-KRWDZBQOSA-N 1 2 399.560 3.959 40 0 GHABLO CCOc1ccccc1NC(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224146077 535531818 /nfs/dbraw/zinc/53/18/18/535531818.db2.gz XUDLIJUVVZLMDV-UHFFFAOYSA-N 1 2 384.484 3.576 40 0 GHABLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020105927 570240005 /nfs/dbraw/zinc/24/00/05/570240005.db2.gz UTUHBFZUNHDLIF-UHFFFAOYSA-N 1 2 396.299 3.799 40 0 GHABLO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225744936 570612396 /nfs/dbraw/zinc/61/23/96/570612396.db2.gz MOFAHEWIMUNCKO-JOCHJYFZSA-N 1 2 392.540 3.712 40 0 GHABLO Cc1[nH+]c[nH]c1CN1CCO[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 ZINC000257261745 570771997 /nfs/dbraw/zinc/77/19/97/570771997.db2.gz LIQREJVQINONSP-BVSLBCMMSA-N 1 2 387.499 3.862 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257267787 570772970 /nfs/dbraw/zinc/77/29/70/570772970.db2.gz MISWIBBCZGDDSL-JOCHJYFZSA-N 1 2 380.467 3.601 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257267787 570772974 /nfs/dbraw/zinc/77/29/74/570772974.db2.gz MISWIBBCZGDDSL-JOCHJYFZSA-N 1 2 380.467 3.601 40 0 GHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 ZINC000257309995 570779831 /nfs/dbraw/zinc/77/98/31/570779831.db2.gz UDGSIWUTDPSJHD-IBGZPJMESA-N 1 2 381.505 3.867 40 0 GHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 ZINC000257309995 570779833 /nfs/dbraw/zinc/77/98/33/570779833.db2.gz UDGSIWUTDPSJHD-IBGZPJMESA-N 1 2 381.505 3.867 40 0 GHABLO Cc1ncc(CN2CCO[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)s1 ZINC000257309995 570779837 /nfs/dbraw/zinc/77/98/37/570779837.db2.gz UDGSIWUTDPSJHD-IBGZPJMESA-N 1 2 381.505 3.867 40 0 GHABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257335558 570783590 /nfs/dbraw/zinc/78/35/90/570783590.db2.gz YKRVTXBATLARGW-DEOSSOPVSA-N 1 2 393.531 3.983 40 0 GHABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257335558 570783595 /nfs/dbraw/zinc/78/35/95/570783595.db2.gz YKRVTXBATLARGW-DEOSSOPVSA-N 1 2 393.531 3.983 40 0 GHABLO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306133049 570940535 /nfs/dbraw/zinc/94/05/35/570940535.db2.gz MAFMOSHWAUXMMW-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306133049 570940537 /nfs/dbraw/zinc/94/05/37/570940537.db2.gz MAFMOSHWAUXMMW-QHCPKHFHSA-N 1 2 398.514 3.588 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306133908 570940818 /nfs/dbraw/zinc/94/08/18/570940818.db2.gz MZDDKSFCEUBXRX-GHTZIAJQSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306133908 570940821 /nfs/dbraw/zinc/94/08/21/570940821.db2.gz MZDDKSFCEUBXRX-GHTZIAJQSA-N 1 2 396.537 3.874 40 0 GHABLO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335842 570976119 /nfs/dbraw/zinc/97/61/19/570976119.db2.gz IKVDQCKVIBBIHD-INIZCTEOSA-N 1 2 383.423 3.595 40 0 GHABLO COc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1OC ZINC000019453649 570986044 /nfs/dbraw/zinc/98/60/44/570986044.db2.gz AHMMIRYNKDZVIV-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO COc1cccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1OC ZINC000019453649 570986050 /nfs/dbraw/zinc/98/60/50/570986050.db2.gz AHMMIRYNKDZVIV-UHFFFAOYSA-N 1 2 396.535 3.776 40 0 GHABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989049 /nfs/dbraw/zinc/98/90/49/570989049.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 1 2 392.547 3.905 40 0 GHABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989051 /nfs/dbraw/zinc/98/90/51/570989051.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 1 2 392.547 3.905 40 0 GHABLO COCCC(=O)N1CCC[C@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 ZINC000019570131 571009874 /nfs/dbraw/zinc/00/98/74/571009874.db2.gz TWVZLRMKMYATEV-SFHVURJKSA-N 1 2 397.519 3.991 40 0 GHABLO CCn1c(C)[nH+]c2cc(NC(=O)c3sc4ncn(CC)c(=O)c4c3C)ccc21 ZINC000019717351 571039424 /nfs/dbraw/zinc/03/94/24/571039424.db2.gz CGPRARVXYBMFNQ-UHFFFAOYSA-N 1 2 395.488 3.717 40 0 GHABLO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@@H]2C)cc1 ZINC000001467516 212247818 /nfs/dbraw/zinc/24/78/18/212247818.db2.gz PVXZBZIMTQQPRG-SFHVURJKSA-N 1 2 384.487 3.839 40 0 GHABLO Brc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000328982469 212092748 /nfs/dbraw/zinc/09/27/48/212092748.db2.gz HANXSDDLBZWHCQ-UHFFFAOYSA-N 1 2 395.304 3.936 40 0 GHABLO CCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328970704 212090100 /nfs/dbraw/zinc/09/01/00/212090100.db2.gz DLHAYUFNZOGTSJ-UHFFFAOYSA-N 1 2 394.422 3.991 40 0 GHABLO Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000019286673 221403733 /nfs/dbraw/zinc/40/37/33/221403733.db2.gz VSEKKMAVHARQDC-JLTOFOAXSA-N 1 2 391.450 3.684 40 0 GHABLO Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)CC2)nc(C(C)C)[nH+]1 ZINC000014141505 136201505 /nfs/dbraw/zinc/20/15/05/136201505.db2.gz HGIUHXVGGXTPDX-ZEWDCPDSSA-N 1 2 394.519 3.987 40 0 GHABLO Cc1cnc(C(=O)N2CCC(c3ccc(Nc4cccc(C)[nH+]4)cn3)CC2)cn1 ZINC000072374226 222243093 /nfs/dbraw/zinc/24/30/93/222243093.db2.gz ITJXNMLRNGSMJY-UHFFFAOYSA-N 1 2 388.475 3.647 40 0 GHABLO Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378615 222243889 /nfs/dbraw/zinc/24/38/89/222243889.db2.gz KRZFADGHDGNBMV-HNNXBMFYSA-N 1 2 382.493 3.528 40 0 GHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378879 222245628 /nfs/dbraw/zinc/24/56/28/222245628.db2.gz SHCSPQJEKXLNIX-GOSISDBHSA-N 1 2 375.476 3.806 40 0 GHABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000096111895 222381425 /nfs/dbraw/zinc/38/14/25/222381425.db2.gz CPGPAPYYCDBUHL-RDJZCZTQSA-N 1 2 392.377 3.584 40 0 biogenic,in-vitro GHABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000096111895 222381429 /nfs/dbraw/zinc/38/14/29/222381429.db2.gz CPGPAPYYCDBUHL-RDJZCZTQSA-N 1 2 392.377 3.584 40 0 biogenic,in-vitro GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000100731768 570275498 /nfs/dbraw/zinc/27/54/98/570275498.db2.gz ALFNEIFVVKTJIC-UONOGXRCSA-N 1 2 386.858 3.668 40 0 GHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000100731768 570275500 /nfs/dbraw/zinc/27/55/00/570275500.db2.gz ALFNEIFVVKTJIC-UONOGXRCSA-N 1 2 386.858 3.668 40 0 GHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N3CCCC3)c(C)c2)cc1 ZINC000072218809 570317742 /nfs/dbraw/zinc/31/77/42/570317742.db2.gz QBLFSAOAUCLTPP-HXUWFJFHSA-N 1 2 385.533 3.824 40 0 GHABLO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669651 570367156 /nfs/dbraw/zinc/36/71/56/570367156.db2.gz BCVQJQQTPWRCME-MRXNPFEDSA-N 1 2 376.936 3.663 40 0 GHABLO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCCCn1cc[nH+]c1 ZINC000027061609 570407216 /nfs/dbraw/zinc/40/72/16/570407216.db2.gz RTNZTJHHVPQOED-OUKQBFOZSA-N 1 2 397.482 3.956 40 0 GHABLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C[NH+]5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000096903550 570563355 /nfs/dbraw/zinc/56/33/55/570563355.db2.gz CJUKMDBJDPZAEN-RTSZYFAMSA-N 1 2 385.548 3.992 40 0 GHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccccc2)cc1 ZINC000001346370 570572205 /nfs/dbraw/zinc/57/22/05/570572205.db2.gz QMKAKXSGMTUSAO-UHFFFAOYSA-N 1 2 389.484 3.532 40 0 GHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670787 570702705 /nfs/dbraw/zinc/70/27/05/570702705.db2.gz CSKMWIVQIJYYLG-NRFANRHFSA-N 1 2 394.498 3.524 40 0 GHABLO COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2N2CC[NH+](C)CC2)cc1 ZINC000100930201 570712075 /nfs/dbraw/zinc/71/20/75/570712075.db2.gz MLMQOZCVGOENFV-FCQUAONHSA-N 1 2 394.544 3.649 40 0 GHABLO Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257242219 570768531 /nfs/dbraw/zinc/76/85/31/570768531.db2.gz IBOLDSUKGJQWKD-QFIPXVFZSA-N 1 2 390.487 3.981 40 0 GHABLO Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257242219 570768536 /nfs/dbraw/zinc/76/85/36/570768536.db2.gz IBOLDSUKGJQWKD-QFIPXVFZSA-N 1 2 390.487 3.981 40 0 GHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000257253395 570770571 /nfs/dbraw/zinc/77/05/71/570770571.db2.gz JYTOHCQXBAIPGO-HSZRJFAPSA-N 1 2 394.494 3.735 40 0 GHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000257253395 570770573 /nfs/dbraw/zinc/77/05/73/570770573.db2.gz JYTOHCQXBAIPGO-HSZRJFAPSA-N 1 2 394.494 3.735 40 0 GHABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccc(F)cc3)c2)C1 ZINC000257257121 570771106 /nfs/dbraw/zinc/77/11/06/570771106.db2.gz KODNWOHCMQVRNW-KRWDZBQOSA-N 1 2 379.439 3.559 40 0 GHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 ZINC000257268629 570773172 /nfs/dbraw/zinc/77/31/72/570773172.db2.gz MMNALPYPGURIEI-GOSISDBHSA-N 1 2 398.536 3.688 40 0 GHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 ZINC000257268629 570773175 /nfs/dbraw/zinc/77/31/75/570773175.db2.gz MMNALPYPGURIEI-GOSISDBHSA-N 1 2 398.536 3.688 40 0 GHABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 ZINC000257338673 570783912 /nfs/dbraw/zinc/78/39/12/570783912.db2.gz YYLOGUNSBPTQFW-UPVQGACJSA-N 1 2 394.515 3.692 40 0 GHABLO Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 ZINC000257338673 570783915 /nfs/dbraw/zinc/78/39/15/570783915.db2.gz YYLOGUNSBPTQFW-UPVQGACJSA-N 1 2 394.515 3.692 40 0 GHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(C)s1 ZINC000261364575 570788715 /nfs/dbraw/zinc/78/87/15/570788715.db2.gz MINGWTDTOJVXPQ-GOSISDBHSA-O 1 2 399.521 3.532 40 0 GHABLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C[NH+]5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004896646 570897351 /nfs/dbraw/zinc/89/73/51/570897351.db2.gz CJUKMDBJDPZAEN-XNRLKVGWSA-N 1 2 385.548 3.992 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306125072 570936103 /nfs/dbraw/zinc/93/61/03/570936103.db2.gz CGGADPSHNCPTJG-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306125072 570936105 /nfs/dbraw/zinc/93/61/05/570936105.db2.gz CGGADPSHNCPTJG-FXAWDEMLSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)C3CCC3)Cc3ccccc32)cs1 ZINC000306126756 570937418 /nfs/dbraw/zinc/93/74/18/570937418.db2.gz FEMOUEVDKUQSBO-HXUWFJFHSA-N 1 2 392.528 3.971 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306133547 570940990 /nfs/dbraw/zinc/94/09/90/570940990.db2.gz MPGUMEQEFRZYBW-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306133547 570940993 /nfs/dbraw/zinc/94/09/93/570940993.db2.gz MPGUMEQEFRZYBW-IRLDBZIGSA-N 1 2 394.471 3.643 40 0 GHABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139151 570943944 /nfs/dbraw/zinc/94/39/44/570943944.db2.gz SQOSNPRMTWUMNQ-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139151 570943945 /nfs/dbraw/zinc/94/39/45/570943945.db2.gz SQOSNPRMTWUMNQ-JOCHJYFZSA-N 1 2 385.471 3.673 40 0 GHABLO COCCC[N@H+](Cc1nc(-c2cccnc2Cl)no1)[C@@H](C)c1ccccn1 ZINC000019459536 570988342 /nfs/dbraw/zinc/98/83/42/570988342.db2.gz RQLJQBHVUNZWLC-AWEZNQCLSA-N 1 2 387.871 3.780 40 0 GHABLO COCCC[N@@H+](Cc1nc(-c2cccnc2Cl)no1)[C@@H](C)c1ccccn1 ZINC000019459536 570988344 /nfs/dbraw/zinc/98/83/44/570988344.db2.gz RQLJQBHVUNZWLC-AWEZNQCLSA-N 1 2 387.871 3.780 40 0 GHABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c(OC)c1 ZINC000019552316 571001477 /nfs/dbraw/zinc/00/14/77/571001477.db2.gz FUBBGAJLYWYARD-IBGZPJMESA-N 1 2 392.459 3.599 40 0 GHABLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c(OC)c1 ZINC000019552316 571001480 /nfs/dbraw/zinc/00/14/80/571001480.db2.gz FUBBGAJLYWYARD-IBGZPJMESA-N 1 2 392.459 3.599 40 0 GHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000408959692 529774716 /nfs/dbraw/zinc/77/47/16/529774716.db2.gz DHTYOTKACCITIZ-QNGOZBTKSA-N 1 2 386.455 3.636 40 0 GHABLO COc1ccccc1C[N@@H+](Cc1coc2ccccc2c1=O)C[C@@H]1CCCO1 ZINC000012187574 221165103 /nfs/dbraw/zinc/16/51/03/221165103.db2.gz OMVCFPYWQHIKKK-IBGZPJMESA-N 1 2 379.456 3.983 40 0 GHABLO COc1ccccc1C[N@H+](Cc1coc2ccccc2c1=O)C[C@@H]1CCCO1 ZINC000012187574 221165107 /nfs/dbraw/zinc/16/51/07/221165107.db2.gz OMVCFPYWQHIKKK-IBGZPJMESA-N 1 2 379.456 3.983 40 0 GHABLO Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000013710849 221282961 /nfs/dbraw/zinc/28/29/61/221282961.db2.gz ITSIMYGRDIXZPL-CLNPQZTCSA-N 1 2 378.516 3.928 40 0 GHABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057711600 136153934 /nfs/dbraw/zinc/15/39/34/136153934.db2.gz DEVIDSVXCXLEGO-UHFFFAOYSA-N 1 2 385.483 3.765 40 0 GHABLO Cc1ccc([NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000219866854 136204453 /nfs/dbraw/zinc/20/44/53/136204453.db2.gz WHHQZXGDSZCQHF-UHFFFAOYSA-N 1 2 396.516 3.982 40 0 GHABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)Nc1cccnc1)N(Cc1ccccc1)CC2 ZINC000096037490 222373327 /nfs/dbraw/zinc/37/33/27/222373327.db2.gz KGDLGXKUTSHDRJ-OAQYLSRUSA-N 1 2 375.476 3.597 40 0 GHABLO Cc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096037088 222373715 /nfs/dbraw/zinc/37/37/15/222373715.db2.gz FWBGEMJJCNJSFH-UHFFFAOYSA-N 1 2 390.487 3.528 40 0 GHABLO Cc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096037088 222373717 /nfs/dbraw/zinc/37/37/17/222373717.db2.gz FWBGEMJJCNJSFH-UHFFFAOYSA-N 1 2 390.487 3.528 40 0 GHABLO F[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112181 222381392 /nfs/dbraw/zinc/38/13/92/222381392.db2.gz AWUQMQKSMBKQPQ-UTKZUKDTSA-N 1 2 376.435 3.850 40 0 biogenic,in-vitro GHABLO F[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112181 222381394 /nfs/dbraw/zinc/38/13/94/222381394.db2.gz AWUQMQKSMBKQPQ-UTKZUKDTSA-N 1 2 376.435 3.850 40 0 biogenic,in-vitro GHABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019719278 570210580 /nfs/dbraw/zinc/21/05/80/570210580.db2.gz HHEMNDDGTAHTMG-UHFFFAOYSA-N 1 2 380.477 3.621 40 0 GHABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000408575219 570342319 /nfs/dbraw/zinc/34/23/19/570342319.db2.gz HJXUKJOSOFBVLW-VMPITWQZSA-N 1 2 390.892 3.828 40 0 GHABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408575219 570342324 /nfs/dbraw/zinc/34/23/24/570342324.db2.gz HJXUKJOSOFBVLW-VMPITWQZSA-N 1 2 390.892 3.828 40 0 GHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 ZINC000057669762 570367040 /nfs/dbraw/zinc/36/70/40/570367040.db2.gz UOHAVMIWPYWKBH-HXUWFJFHSA-N 1 2 384.572 3.954 40 0 GHABLO CCCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000001370960 570581076 /nfs/dbraw/zinc/58/10/76/570581076.db2.gz FLTMGAJQFRPORP-UHFFFAOYSA-N 1 2 393.491 3.809 40 0 GHABLO COc1ccc(C[N@@H+](Cc2cnc(C(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187251 570621366 /nfs/dbraw/zinc/62/13/66/570621366.db2.gz JMXGJZVYYOMVHM-HXUWFJFHSA-N 1 2 385.508 3.798 40 0 GHABLO COc1ccc(C[N@H+](Cc2cnc(C(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187251 570621367 /nfs/dbraw/zinc/62/13/67/570621367.db2.gz JMXGJZVYYOMVHM-HXUWFJFHSA-N 1 2 385.508 3.798 40 0 GHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)n2)s1 ZINC000257219528 570762783 /nfs/dbraw/zinc/76/27/83/570762783.db2.gz DHCINUBVPUIVAR-SFHVURJKSA-N 1 2 395.532 3.855 40 0 GHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)n2)s1 ZINC000257219528 570762787 /nfs/dbraw/zinc/76/27/87/570762787.db2.gz DHCINUBVPUIVAR-SFHVURJKSA-N 1 2 395.532 3.855 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257255295 570770993 /nfs/dbraw/zinc/77/09/93/570770993.db2.gz KGYZIKPGIWXNDD-GOSISDBHSA-N 1 2 384.867 3.869 40 0 GHABLO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(Cc3[nH]cc[nH+]3)[C@H]1CCCC(=O)N2 ZINC000257323721 570781569 /nfs/dbraw/zinc/78/15/69/570781569.db2.gz WLPATUTYBDELFT-BXWFABGCSA-N 1 2 392.425 3.803 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306125000 570936398 /nfs/dbraw/zinc/93/63/98/570936398.db2.gz CEGZCGAYZJEYKX-DENIHFKCSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306125000 570936402 /nfs/dbraw/zinc/93/64/02/570936402.db2.gz CEGZCGAYZJEYKX-DENIHFKCSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306131736 570939921 /nfs/dbraw/zinc/93/99/21/570939921.db2.gz KOGWDSGFBLFTQO-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306131736 570939922 /nfs/dbraw/zinc/93/99/22/570939922.db2.gz KOGWDSGFBLFTQO-FPOVZHCZSA-N 1 2 383.444 3.841 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141141 570945151 /nfs/dbraw/zinc/94/51/51/570945151.db2.gz VMCLTYFXCYAYDP-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141141 570945154 /nfs/dbraw/zinc/94/51/54/570945154.db2.gz VMCLTYFXCYAYDP-XLIONFOSSA-N 1 2 382.510 3.565 40 0 GHABLO CCc1[nH+]c2cc(NC(=O)c3cc(-c4cnn(C)c4C)no3)ccc2n1CC ZINC000019523220 570995892 /nfs/dbraw/zinc/99/58/92/570995892.db2.gz OYTHMVPNYCWANZ-UHFFFAOYSA-N 1 2 378.436 3.568 40 0 GHABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000008493714 856406871 /nfs/dbraw/zinc/40/68/71/856406871.db2.gz JCFFTKAHHPBBFB-CLNPQZTCSA-N 1 2 378.516 3.928 40 0 GHABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095534288 860614033 /nfs/dbraw/zinc/61/40/33/860614033.db2.gz KDXDUYQJODEXCF-INIZCTEOSA-N 1 2 392.381 3.946 40 0 GHABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329063418 231047749 /nfs/dbraw/zinc/04/77/49/231047749.db2.gz XEDXQCKYIDOFAE-NRFANRHFSA-N 1 2 376.504 3.915 40 0 GHABLO Cc1cccc(-c2ocnc2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019235287 212111563 /nfs/dbraw/zinc/11/15/63/212111563.db2.gz OUWFXVVEPRBUGO-UHFFFAOYSA-N 1 2 377.444 3.735 40 0 GHABLO Fc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329067331 212094544 /nfs/dbraw/zinc/09/45/44/212094544.db2.gz YHTRIUDKUXRVDB-UHFFFAOYSA-N 1 2 377.467 3.878 40 0 GHABLO CC(C)n1c(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21 ZINC000012146025 221158980 /nfs/dbraw/zinc/15/89/80/221158980.db2.gz CCBNCAQNMCCUIH-UHFFFAOYSA-N 1 2 390.487 3.732 40 0 GHABLO Cc1cc(NC(=O)C[NH+]2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)no1 ZINC000012187983 221164814 /nfs/dbraw/zinc/16/48/14/221164814.db2.gz UYFURYYTMKTKKP-UHFFFAOYSA-N 1 2 387.867 3.824 40 0 GHABLO COc1ccc(CN(C)C(=O)CCn2c[nH+]c3cc(C)c(C)cc32)cc1OC ZINC000019125232 221397857 /nfs/dbraw/zinc/39/78/57/221397857.db2.gz PRUPSNPGBUYJMT-UHFFFAOYSA-N 1 2 381.476 3.719 40 0 GHABLO CSc1ccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1 ZINC000013563038 136201236 /nfs/dbraw/zinc/20/12/36/136201236.db2.gz BKRPJFLTTPUHAA-UHFFFAOYSA-N 1 2 395.528 3.823 40 0 GHABLO Cn1c2ccccc2[nH+]c1Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O ZINC000072347171 222235303 /nfs/dbraw/zinc/23/53/03/222235303.db2.gz GHHMHSKWJRRPPP-UHFFFAOYSA-N 1 2 391.431 3.594 40 0 GHABLO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072384464 222246522 /nfs/dbraw/zinc/24/65/22/222246522.db2.gz YSKWCDCCVGOCOP-QGZVFWFLSA-N 1 2 378.480 3.568 40 0 GHABLO CCn1ccnc1C[N@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072384464 222246527 /nfs/dbraw/zinc/24/65/27/222246527.db2.gz YSKWCDCCVGOCOP-QGZVFWFLSA-N 1 2 378.480 3.568 40 0 GHABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)ccn1 ZINC000035424774 560080492 /nfs/dbraw/zinc/08/04/92/560080492.db2.gz YUMRHAYOTUWGTF-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)ccn1 ZINC000035424774 560080493 /nfs/dbraw/zinc/08/04/93/560080493.db2.gz YUMRHAYOTUWGTF-SFHVURJKSA-N 1 2 398.438 3.633 40 0 biogenic,in-vitro GHABLO COc1ccc(CCCn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)cc1 ZINC000019719965 570211019 /nfs/dbraw/zinc/21/10/19/570211019.db2.gz GICULKCITVRHOJ-UHFFFAOYSA-N 1 2 390.487 3.690 40 0 GHABLO CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329052466 570215264 /nfs/dbraw/zinc/21/52/64/570215264.db2.gz VBCLNYGRIMTYEM-UHFFFAOYSA-N 1 2 395.772 3.720 40 0 GHABLO CC[C@@H](C)Nc1nc(Nc2cc(OC)cc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329069750 570216684 /nfs/dbraw/zinc/21/66/84/570216684.db2.gz ZANBGERWKWBEME-OAHLLOKOSA-N 1 2 378.476 3.959 40 0 GHABLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223657 570318599 /nfs/dbraw/zinc/31/85/99/570318599.db2.gz CWJCSJFMPNTLCT-HXUWFJFHSA-N 1 2 383.492 3.529 40 0 GHABLO S=C(NCC[NH+]1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408574340 570341987 /nfs/dbraw/zinc/34/19/87/570341987.db2.gz LXRNCVVWOIQEIS-UHFFFAOYSA-N 1 2 390.936 3.516 40 0 GHABLO CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222750221 570424106 /nfs/dbraw/zinc/42/41/06/570424106.db2.gz YAGYORZVFHMVIW-WOJBJXKFSA-N 1 2 377.517 3.541 40 0 GHABLO COC(=O)c1c(NC(=O)c2ccc(C)cc2Cl)sc2c1CC[N@H+](C)C2 ZINC000225002799 570542535 /nfs/dbraw/zinc/54/25/35/570542535.db2.gz YPSBIIDSKFCOGZ-UHFFFAOYSA-N 1 2 378.881 3.737 40 0 GHABLO COC(=O)c1c(NC(=O)c2ccc(C)cc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000225002799 570542538 /nfs/dbraw/zinc/54/25/38/570542538.db2.gz YPSBIIDSKFCOGZ-UHFFFAOYSA-N 1 2 378.881 3.737 40 0 GHABLO CCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000225125190 570550786 /nfs/dbraw/zinc/55/07/86/570550786.db2.gz QOKPJWHICWZFIF-UHFFFAOYSA-N 1 2 378.457 3.580 40 0 GHABLO CC(C)C[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670209 570702861 /nfs/dbraw/zinc/70/28/61/570702861.db2.gz TZHKRJCKNNDDAQ-SFHVURJKSA-N 1 2 376.936 3.817 40 0 GHABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257220603 570762625 /nfs/dbraw/zinc/76/26/25/570762625.db2.gz DLJPLDUMFYULSD-SFHVURJKSA-N 1 2 384.867 3.869 40 0 GHABLO CN(C)C(=O)c1sc2nc(C3(C)CCN(c4cccc[nH+]4)CC3)ccc2c1N ZINC000257257244 570771006 /nfs/dbraw/zinc/77/10/06/570771006.db2.gz KOSBKLQWNZLVAW-UHFFFAOYSA-N 1 2 395.532 3.533 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306125075 570936223 /nfs/dbraw/zinc/93/62/23/570936223.db2.gz CGGADPSHNCPTJG-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306125075 570936226 /nfs/dbraw/zinc/93/62/26/570936226.db2.gz CGGADPSHNCPTJG-YLJYHZDGSA-N 1 2 382.510 3.565 40 0 GHABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306124540 570936314 /nfs/dbraw/zinc/93/63/14/570936314.db2.gz BTIRPXYHHIPDBC-FPOVZHCZSA-N 1 2 396.537 3.874 40 0 GHABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306124540 570936316 /nfs/dbraw/zinc/93/63/16/570936316.db2.gz BTIRPXYHHIPDBC-FPOVZHCZSA-N 1 2 396.537 3.874 40 0 GHABLO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306128498 570938193 /nfs/dbraw/zinc/93/81/93/570938193.db2.gz HCGJBBHSVFOWEO-LJQANCHMSA-N 1 2 379.489 3.540 40 0 GHABLO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306128498 570938197 /nfs/dbraw/zinc/93/81/97/570938197.db2.gz HCGJBBHSVFOWEO-LJQANCHMSA-N 1 2 379.489 3.540 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306133548 570940740 /nfs/dbraw/zinc/94/07/40/570940740.db2.gz MPGUMEQEFRZYBW-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306133548 570940744 /nfs/dbraw/zinc/94/07/44/570940744.db2.gz MPGUMEQEFRZYBW-RBBKRZOGSA-N 1 2 394.471 3.643 40 0 GHABLO COc1ccccc1C[N@@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306140753 570944796 /nfs/dbraw/zinc/94/47/96/570944796.db2.gz VDDYUMUYIOPAIU-UGKGYDQZSA-N 1 2 395.480 3.711 40 0 GHABLO COc1ccccc1C[N@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306140753 570944799 /nfs/dbraw/zinc/94/47/99/570944799.db2.gz VDDYUMUYIOPAIU-UGKGYDQZSA-N 1 2 395.480 3.711 40 0 GHABLO c1ccc(C[N@@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 ZINC000019372394 570981126 /nfs/dbraw/zinc/98/11/26/570981126.db2.gz LTZLKTVEKDERPC-UHFFFAOYSA-N 1 2 387.487 3.822 40 0 GHABLO c1ccc(C[N@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 ZINC000019372394 570981127 /nfs/dbraw/zinc/98/11/27/570981127.db2.gz LTZLKTVEKDERPC-UHFFFAOYSA-N 1 2 387.487 3.822 40 0 GHABLO Cc1c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cnn1Cc1ccccc1 ZINC000019554504 571002534 /nfs/dbraw/zinc/00/25/34/571002534.db2.gz ZUXOJOSCFXVFTG-QHCPKHFHSA-N 1 2 376.504 3.816 40 0 GHABLO Cc1c(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cnn1Cc1ccccc1 ZINC000019554504 571002536 /nfs/dbraw/zinc/00/25/36/571002536.db2.gz ZUXOJOSCFXVFTG-QHCPKHFHSA-N 1 2 376.504 3.816 40 0 GHABLO O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)Nc1ccc2ncccc2c1 ZINC000019658079 571024469 /nfs/dbraw/zinc/02/44/69/571024469.db2.gz WKMXUIGMIXXIFD-UHFFFAOYSA-N 1 2 379.435 3.856 40 0 GHABLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)sc1C ZINC000019715448 571037371 /nfs/dbraw/zinc/03/73/71/571037371.db2.gz QJNFYCJYVQVEKW-OAHLLOKOSA-N 1 2 397.548 3.719 40 0 GHABLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)sc1C ZINC000019715448 571037376 /nfs/dbraw/zinc/03/73/76/571037376.db2.gz QJNFYCJYVQVEKW-OAHLLOKOSA-N 1 2 397.548 3.719 40 0 GHABLO