smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843156 720628791 /nfs/dbraw/zinc/62/87/91/720628791.db2.gz WZTABGTZKNPRJZ-BHDDXSALSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843156 720628795 /nfs/dbraw/zinc/62/87/95/720628795.db2.gz WZTABGTZKNPRJZ-BHDDXSALSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164843884 720697069 /nfs/dbraw/zinc/69/70/69/720697069.db2.gz RSEIONCNTPLJIZ-HXUWFJFHSA-N 2 1 390.531 4.131 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995034 722207823 /nfs/dbraw/zinc/20/78/23/722207823.db2.gz KLZIBNYATVJCEO-DEOSSOPVSA-N 2 1 394.538 4.061 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164997515 722212980 /nfs/dbraw/zinc/21/29/80/722212980.db2.gz RCWXBTSIJVFJKS-DEOSSOPVSA-N 2 1 394.538 4.061 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734154 823078196 /nfs/dbraw/zinc/07/81/96/823078196.db2.gz PNBZDNXWVUUYFL-MJGOQNOKSA-N 2 1 378.442 4.175 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734154 823078204 /nfs/dbraw/zinc/07/82/04/823078204.db2.gz PNBZDNXWVUUYFL-MJGOQNOKSA-N 2 1 378.442 4.175 20 0 GIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120917479 823086372 /nfs/dbraw/zinc/08/63/72/823086372.db2.gz ZTKZKFLDAFFEDZ-UHFFFAOYSA-N 2 1 391.563 4.067 20 0 GIADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154018 823090520 /nfs/dbraw/zinc/09/05/20/823090520.db2.gz NLDZBBMBYMVDOH-CYFREDJKSA-N 2 1 391.559 4.028 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154018 823090528 /nfs/dbraw/zinc/09/05/28/823090528.db2.gz NLDZBBMBYMVDOH-CYFREDJKSA-N 2 1 391.559 4.028 20 0 GIADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570861016 823097686 /nfs/dbraw/zinc/09/76/86/823097686.db2.gz KMCFFGZQXACAAA-JOCHJYFZSA-N 2 1 377.532 4.051 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845169 823094565 /nfs/dbraw/zinc/09/45/65/823094565.db2.gz GJTJULNBVUNRAB-UYAOXDASSA-N 2 1 397.966 4.241 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845169 823094571 /nfs/dbraw/zinc/09/45/71/823094571.db2.gz GJTJULNBVUNRAB-UYAOXDASSA-N 2 1 397.966 4.241 20 0 GIADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570861019 823097841 /nfs/dbraw/zinc/09/78/41/823097841.db2.gz KMCFFGZQXACAAA-QFIPXVFZSA-N 2 1 377.532 4.051 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000056184908 823098098 /nfs/dbraw/zinc/09/80/98/823098098.db2.gz OYDBLQLXDWMTDN-OAHLLOKOSA-N 2 1 398.576 4.294 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCCS2 ZINC000187705288 823116912 /nfs/dbraw/zinc/11/69/12/823116912.db2.gz JANDNKQCKOFKTA-JOCHJYFZSA-N 2 1 398.572 4.244 20 0 GIADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225493 823142168 /nfs/dbraw/zinc/14/21/68/823142168.db2.gz TZNCJEDZZWGSQP-AUSIDOKSSA-N 2 1 394.563 4.265 20 0 GIADMP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ncc[nH]2)cc1 ZINC000187901040 823155250 /nfs/dbraw/zinc/15/52/50/823155250.db2.gz VOBLIJMOXYWMNL-HXUWFJFHSA-N 2 1 384.524 4.202 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056495160 823159218 /nfs/dbraw/zinc/15/92/18/823159218.db2.gz ITMOEWUZCYRYHL-UHFFFAOYSA-N 2 1 397.563 4.154 20 0 GIADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000571427863 823181215 /nfs/dbraw/zinc/18/12/15/823181215.db2.gz PYXWPAQAQUQOID-ZKMPZPQNSA-N 2 1 394.607 4.250 20 0 GIADMP Clc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c(Cl)c1 ZINC000459401398 823184471 /nfs/dbraw/zinc/18/44/71/823184471.db2.gz XQCMKVPRGPMTPD-UHFFFAOYSA-N 2 1 383.363 4.258 20 0 GIADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413933 823187672 /nfs/dbraw/zinc/18/76/72/823187672.db2.gz YEGSFLQFTMYVBR-GOSISDBHSA-N 2 1 388.939 4.099 20 0 GIADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413933 823187673 /nfs/dbraw/zinc/18/76/73/823187673.db2.gz YEGSFLQFTMYVBR-GOSISDBHSA-N 2 1 388.939 4.099 20 0 GIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431447 823190907 /nfs/dbraw/zinc/19/09/07/823190907.db2.gz RDTKRCBAINXYLE-LJQANCHMSA-N 2 1 381.568 4.270 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121584173 823211101 /nfs/dbraw/zinc/21/11/01/823211101.db2.gz GPNTWJWHUDDINF-OALUTQOASA-N 2 1 397.567 4.196 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121584173 823211104 /nfs/dbraw/zinc/21/11/04/823211104.db2.gz GPNTWJWHUDDINF-OALUTQOASA-N 2 1 397.567 4.196 20 0 GIADMP COCc1cc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000459548188 823217619 /nfs/dbraw/zinc/21/76/19/823217619.db2.gz UTAWQAWVRBOECH-PCNOZBDPSA-N 2 1 389.927 4.178 20 0 GIADMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1C ZINC000571961670 823260953 /nfs/dbraw/zinc/26/09/53/823260953.db2.gz XNXNRYQAZVLDMU-UHFFFAOYSA-N 2 1 397.563 4.120 20 0 GIADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1C ZINC000571961670 823260958 /nfs/dbraw/zinc/26/09/58/823260958.db2.gz XNXNRYQAZVLDMU-UHFFFAOYSA-N 2 1 397.563 4.120 20 0 GIADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000409635589 823268828 /nfs/dbraw/zinc/26/88/28/823268828.db2.gz MQCKMZHBCYZENK-NRFANRHFSA-N 2 1 387.955 4.101 20 0 GIADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409659364 823276087 /nfs/dbraw/zinc/27/60/87/823276087.db2.gz KSNBZLIUNSKRPZ-HNNXBMFYSA-N 2 1 380.467 4.299 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122075888 823302420 /nfs/dbraw/zinc/30/24/20/823302420.db2.gz FKQVKZCBCFRVMR-IBGZPJMESA-N 2 1 385.552 4.473 20 0 GIADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889326 823345426 /nfs/dbraw/zinc/34/54/26/823345426.db2.gz QDWYZIAWMVDCCR-GOSISDBHSA-N 2 1 375.532 4.049 20 0 GIADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000460357971 823363253 /nfs/dbraw/zinc/36/32/53/823363253.db2.gz JMBXAMPWCIWXCF-IAGOWNOFSA-N 2 1 385.939 4.025 20 0 GIADMP CCOCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000122520748 823366281 /nfs/dbraw/zinc/36/62/81/823366281.db2.gz HREXFUVSTIDBQQ-UHFFFAOYSA-N 2 1 376.560 4.409 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(CCOC)CCCCC3)CC2)cs1 ZINC000189186983 823372346 /nfs/dbraw/zinc/37/23/46/823372346.db2.gz KZQBZOZPGNZTKZ-UHFFFAOYSA-N 2 1 393.641 4.494 20 0 GIADMP C[C@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419043 823491195 /nfs/dbraw/zinc/49/11/95/823491195.db2.gz UAGKKFYQLSRQSG-FFZOFVMBSA-N 2 1 387.618 4.252 20 0 GIADMP C[C@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419044 823491216 /nfs/dbraw/zinc/49/12/16/823491216.db2.gz UAGKKFYQLSRQSG-PWIZWCRZSA-N 2 1 387.618 4.252 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907178 820706629 /nfs/dbraw/zinc/70/66/29/820706629.db2.gz MADBJECDMIGEKN-QGZVFWFLSA-N 2 1 383.923 4.166 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907101 820707082 /nfs/dbraw/zinc/70/70/82/820707082.db2.gz PMQOLDUXWCEFDQ-KRWDZBQOSA-N 2 1 383.923 4.166 20 0 GIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@H+](C)Cc3ccccc3)ccc21 ZINC000060270898 823513790 /nfs/dbraw/zinc/51/37/90/823513790.db2.gz SGGIOZARCVQNQA-UHFFFAOYSA-N 2 1 392.547 4.054 20 0 GIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000060270898 823513792 /nfs/dbraw/zinc/51/37/92/823513792.db2.gz SGGIOZARCVQNQA-UHFFFAOYSA-N 2 1 392.547 4.054 20 0 GIADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(Br)c1OC ZINC000061029086 823574109 /nfs/dbraw/zinc/57/41/09/823574109.db2.gz AWWFRTQQQVCZKU-OAHLLOKOSA-N 2 1 399.373 4.211 20 0 GIADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(Br)c1OC ZINC000061029086 823574112 /nfs/dbraw/zinc/57/41/12/823574112.db2.gz AWWFRTQQQVCZKU-OAHLLOKOSA-N 2 1 399.373 4.211 20 0 GIADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177765912 823522709 /nfs/dbraw/zinc/52/27/09/823522709.db2.gz MZOZOLNDRFNACR-RTWAWAEBSA-N 2 1 395.551 4.145 20 0 GIADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177765912 823522714 /nfs/dbraw/zinc/52/27/14/823522714.db2.gz MZOZOLNDRFNACR-RTWAWAEBSA-N 2 1 395.551 4.145 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640450 821378647 /nfs/dbraw/zinc/37/86/47/821378647.db2.gz KCMBSDLSABLQJB-YWZLYKJASA-N 2 1 378.438 4.123 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)(F)F ZINC000181416982 821815263 /nfs/dbraw/zinc/81/52/63/821815263.db2.gz OIFFOLROMXYGFT-QGTPRVQTSA-N 2 1 386.458 4.004 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000181438755 821827348 /nfs/dbraw/zinc/82/73/48/821827348.db2.gz BFQQECBWSYPOSR-CQSZACIVSA-N 2 1 377.326 4.370 20 0 GIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000182075956 822083494 /nfs/dbraw/zinc/08/34/94/822083494.db2.gz VWPYWUDYUNXUCN-VVRXKDFOSA-N 2 1 377.532 4.491 20 0 GIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131413 822109261 /nfs/dbraw/zinc/10/92/61/822109261.db2.gz JCNOIGZBQCAHBY-SZPZYZBQSA-N 2 1 399.623 4.163 20 0 GIADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000182237770 822161275 /nfs/dbraw/zinc/16/12/75/822161275.db2.gz ZBQSIKVASWOWRS-ISKFKSNPSA-N 2 1 382.548 4.283 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262076 822175251 /nfs/dbraw/zinc/17/52/51/822175251.db2.gz AJHYNEVYVFEYIK-UTKZUKDTSA-N 2 1 393.556 4.228 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262076 822175257 /nfs/dbraw/zinc/17/52/57/822175257.db2.gz AJHYNEVYVFEYIK-UTKZUKDTSA-N 2 1 393.556 4.228 20 0 GIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182267173 822179156 /nfs/dbraw/zinc/17/91/56/822179156.db2.gz FLHKRUACNXWQAY-XUZZJYLKSA-N 2 1 394.559 4.380 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1C[NH+]1CCCCC1 ZINC000182930751 822395213 /nfs/dbraw/zinc/39/52/13/822395213.db2.gz FZWXSMWJUXUAOS-LJQANCHMSA-N 2 1 392.547 4.488 20 0 GIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182934640 822395518 /nfs/dbraw/zinc/39/55/18/822395518.db2.gz RMPXKYFADQWCAY-APWZRJJASA-N 2 1 384.536 4.205 20 0 GIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182934660 822395786 /nfs/dbraw/zinc/39/57/86/822395786.db2.gz RMPXKYFADQWCAY-VQIMIIECSA-N 2 1 384.536 4.205 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617090 822396451 /nfs/dbraw/zinc/39/64/51/822396451.db2.gz LUIPDTGTBVQTRP-OALUTQOASA-N 2 1 375.516 4.306 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617090 822396457 /nfs/dbraw/zinc/39/64/57/822396457.db2.gz LUIPDTGTBVQTRP-OALUTQOASA-N 2 1 375.516 4.306 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000178694833 822403423 /nfs/dbraw/zinc/40/34/23/822403423.db2.gz MMULAHFXPCSUTG-CQSZACIVSA-N 2 1 389.341 4.176 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3Br)CC2)nc(C)[nH+]1 ZINC000178696068 822403599 /nfs/dbraw/zinc/40/35/99/822403599.db2.gz GCUNCRSAKYXCBC-AWEZNQCLSA-N 2 1 389.341 4.176 20 0 GIADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806861 822415139 /nfs/dbraw/zinc/41/51/39/822415139.db2.gz SBHKGJBYXKPPOC-IBGZPJMESA-N 2 1 387.568 4.000 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000183136841 822429030 /nfs/dbraw/zinc/42/90/30/822429030.db2.gz QLQOYIGYYCRQAC-IAGOWNOFSA-N 2 1 394.494 4.190 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142966 822430529 /nfs/dbraw/zinc/43/05/29/822430529.db2.gz RBFIDHNVMQZFMT-UONOGXRCSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145493 822430685 /nfs/dbraw/zinc/43/06/85/822430685.db2.gz NASRTQDREJRUMZ-KBPBESRZSA-N 2 1 384.430 4.137 20 0 GIADMP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183197093 822439810 /nfs/dbraw/zinc/43/98/10/822439810.db2.gz DFJCVRUEMHKYSK-YXWAVELNSA-N 2 1 379.589 4.065 20 0 GIADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388530 822475568 /nfs/dbraw/zinc/47/55/68/822475568.db2.gz RWGDNULKCKVYOW-GOSISDBHSA-N 2 1 391.519 4.431 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393301 822476365 /nfs/dbraw/zinc/47/63/65/822476365.db2.gz DGXZCQDPIZKVNW-SFHVURJKSA-N 2 1 398.526 4.095 20 0 GIADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C(F)(F)F)cs1 ZINC000179396708 822476753 /nfs/dbraw/zinc/47/67/53/822476753.db2.gz KDQIJSDFZDRIHX-UHFFFAOYSA-N 2 1 384.471 4.295 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C(F)(F)F)cs1 ZINC000179396708 822476756 /nfs/dbraw/zinc/47/67/56/822476756.db2.gz KDQIJSDFZDRIHX-UHFFFAOYSA-N 2 1 384.471 4.295 20 0 GIADMP Cc1ccccc1-c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000179396213 822476773 /nfs/dbraw/zinc/47/67/73/822476773.db2.gz SKJLRFLFBYSRLL-UHFFFAOYSA-N 2 1 391.519 4.179 20 0 GIADMP Cc1ccccc1-c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000179396213 822476775 /nfs/dbraw/zinc/47/67/75/822476775.db2.gz SKJLRFLFBYSRLL-UHFFFAOYSA-N 2 1 391.519 4.179 20 0 GIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000179410498 822478937 /nfs/dbraw/zinc/47/89/37/822478937.db2.gz LODWQMFWMOCKOX-KSZLIROESA-N 2 1 386.511 4.294 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674529 822509368 /nfs/dbraw/zinc/50/93/68/822509368.db2.gz UUATYXSIMFOSQF-KBPBESRZSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674510 822509388 /nfs/dbraw/zinc/50/93/88/822509388.db2.gz UUATYXSIMFOSQF-KGLIPLIRSA-N 2 1 384.430 4.137 20 0 GIADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679888 822510316 /nfs/dbraw/zinc/51/03/16/822510316.db2.gz ZLMBAUKBHKLISL-ZHRRBRCNSA-N 2 1 392.503 4.257 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC1 ZINC000179948845 822583805 /nfs/dbraw/zinc/58/38/05/822583805.db2.gz FULFKOQBAPCRBI-UHFFFAOYSA-N 2 1 376.342 4.304 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180023679 822598965 /nfs/dbraw/zinc/59/89/65/822598965.db2.gz XONZOOLOJVCLCZ-HSZRJFAPSA-N 2 1 380.511 4.280 20 0 GIADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccc(F)cc2C1 ZINC000184520285 822649992 /nfs/dbraw/zinc/64/99/92/822649992.db2.gz DTFNKVRCRKDVAN-QHCPKHFHSA-N 2 1 387.543 4.006 20 0 GIADMP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000455835287 822733917 /nfs/dbraw/zinc/73/39/17/822733917.db2.gz ACFMCGUMDHSOIZ-NLSFWIRASA-N 2 1 392.547 4.020 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185352153 822769767 /nfs/dbraw/zinc/76/97/67/822769767.db2.gz JMJZMEYFKUACMW-AWEZNQCLSA-N 2 1 377.326 4.457 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749667 822817458 /nfs/dbraw/zinc/81/74/58/822817458.db2.gz VGRXEPAAUDGJHK-UGKGYDQZSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749667 822817461 /nfs/dbraw/zinc/81/74/61/822817461.db2.gz VGRXEPAAUDGJHK-UGKGYDQZSA-N 2 1 383.580 4.055 20 0 GIADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456681356 822822127 /nfs/dbraw/zinc/82/21/27/822822127.db2.gz HUPQQEHTOAUJQI-UHFFFAOYSA-N 2 1 391.559 4.065 20 0 GIADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868910 822848872 /nfs/dbraw/zinc/84/88/72/822848872.db2.gz URSUYPBPEVKLJR-QFIPXVFZSA-N 2 1 394.563 4.124 20 0 GIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569127928 822882134 /nfs/dbraw/zinc/88/21/34/822882134.db2.gz JESQGKDNRIIOQE-GOSISDBHSA-N 2 1 387.518 4.310 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1F ZINC000186370962 822883359 /nfs/dbraw/zinc/88/33/59/822883359.db2.gz IGHOZDAJQYNHOV-UHFFFAOYSA-N 2 1 381.451 4.255 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186518060 822907370 /nfs/dbraw/zinc/90/73/70/822907370.db2.gz GHXNIPUIXJFTMR-QLFBSQMISA-N 2 1 381.358 4.458 20 0 GIADMP Clc1ccccc1-c1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000186680928 822936258 /nfs/dbraw/zinc/93/62/58/822936258.db2.gz VSTASADRAMNGGT-UHFFFAOYSA-N 2 1 391.968 4.008 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123854868 823546023 /nfs/dbraw/zinc/54/60/23/823546023.db2.gz NZRUBRNBMJVPAQ-LAUBAEHRSA-N 2 1 380.536 4.013 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000123884731 823549215 /nfs/dbraw/zinc/54/92/15/823549215.db2.gz IWTMISRJBZCEGN-UHFFFAOYSA-N 2 1 399.966 4.186 20 0 GIADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000411194980 823556239 /nfs/dbraw/zinc/55/62/39/823556239.db2.gz AJWDRSRPQAQRFW-UHFFFAOYSA-N 2 1 391.559 4.021 20 0 GIADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411301694 823563214 /nfs/dbraw/zinc/56/32/14/823563214.db2.gz ZKXNTHNJKPACTE-JOCHJYFZSA-N 2 1 389.547 4.095 20 0 GIADMP CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411482405 823580263 /nfs/dbraw/zinc/58/02/63/823580263.db2.gz ZFJJNOVJSBPIMF-QGZVFWFLSA-N 2 1 392.503 4.259 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124545837 823605318 /nfs/dbraw/zinc/60/53/18/823605318.db2.gz CWSUMCMMOHZPBT-ZDUSSCGKSA-N 2 1 390.163 4.032 20 0 GIADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574473 823607618 /nfs/dbraw/zinc/60/76/18/823607618.db2.gz CPFHOTLFPLUEKF-BBWFWOEESA-N 2 1 387.593 4.474 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)CC2)oc1C ZINC000191281623 823667094 /nfs/dbraw/zinc/66/70/94/823667094.db2.gz HOBVTSVOMMBAEU-INIZCTEOSA-N 2 1 387.572 4.114 20 0 GIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000191456038 823687169 /nfs/dbraw/zinc/68/71/69/823687169.db2.gz SSKBJTYEVNBKAE-HXUWFJFHSA-N 2 1 394.401 4.002 20 0 GIADMP Cc1ccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)Cc2ccco2)s1 ZINC000191462697 823687970 /nfs/dbraw/zinc/68/79/70/823687970.db2.gz YMAGQBPSILNZAN-UHFFFAOYSA-N 2 1 375.582 4.068 20 0 GIADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461732590 823688877 /nfs/dbraw/zinc/68/88/77/823688877.db2.gz ZIOHJFDDSTXCDH-FQEVSTJZSA-N 2 1 388.600 4.074 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000191505427 823692885 /nfs/dbraw/zinc/69/28/85/823692885.db2.gz RMNOJBNJDMGTOL-IBGZPJMESA-N 2 1 392.547 4.188 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000191505427 823692886 /nfs/dbraw/zinc/69/28/86/823692886.db2.gz RMNOJBNJDMGTOL-IBGZPJMESA-N 2 1 392.547 4.188 20 0 GIADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000163550119 823720450 /nfs/dbraw/zinc/72/04/50/823720450.db2.gz GRWNWVBTDPJFSU-UHFFFAOYSA-N 2 1 383.323 4.239 20 0 GIADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000163550119 823720462 /nfs/dbraw/zinc/72/04/62/823720462.db2.gz GRWNWVBTDPJFSU-UHFFFAOYSA-N 2 1 383.323 4.239 20 0 GIADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486444 823744945 /nfs/dbraw/zinc/74/49/45/823744945.db2.gz FXUCBGCTLNKLHP-FCHUYYIVSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486444 823744951 /nfs/dbraw/zinc/74/49/51/823744951.db2.gz FXUCBGCTLNKLHP-FCHUYYIVSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486444 823744957 /nfs/dbraw/zinc/74/49/57/823744957.db2.gz FXUCBGCTLNKLHP-FCHUYYIVSA-N 2 1 380.532 4.190 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118212 823834258 /nfs/dbraw/zinc/83/42/58/823834258.db2.gz DUYRHDZHMFYCOO-WOJBJXKFSA-N 2 1 384.486 4.432 20 0 GIADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877612 823849749 /nfs/dbraw/zinc/84/97/49/823849749.db2.gz QPMFPIIMVHZEEQ-UPVQGACJSA-N 2 1 393.575 4.085 20 0 GIADMP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166469811 823878357 /nfs/dbraw/zinc/87/83/57/823878357.db2.gz ADDXALFKXKPFLU-VSKRKVRLSA-N 2 1 380.532 4.204 20 0 GIADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007653 823885791 /nfs/dbraw/zinc/88/57/91/823885791.db2.gz JILZHXVVYKZISQ-UWJYYQICSA-N 2 1 399.604 4.339 20 0 GIADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342630 823961990 /nfs/dbraw/zinc/96/19/90/823961990.db2.gz ITUBULANWGMBDZ-ZQRMPTRQSA-N 2 1 379.523 4.190 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126847226 823965138 /nfs/dbraw/zinc/96/51/38/823965138.db2.gz WTUDDAQIRSQSSA-YPBQGGFRSA-N 2 1 376.591 4.048 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126847226 823965142 /nfs/dbraw/zinc/96/51/42/823965142.db2.gz WTUDDAQIRSQSSA-YPBQGGFRSA-N 2 1 376.591 4.048 20 0 GIADMP Cc1ccc(C)c(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000170823702 823980373 /nfs/dbraw/zinc/98/03/73/823980373.db2.gz FUFQEOSDWOISGW-UHFFFAOYSA-N 2 1 382.548 4.083 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000414703009 824025029 /nfs/dbraw/zinc/02/50/29/824025029.db2.gz BSEHXDLGIBGOMM-IOMROCGXSA-N 2 1 384.568 4.042 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000414703011 824025071 /nfs/dbraw/zinc/02/50/71/824025071.db2.gz BSEHXDLGIBGOMM-YYWHXJBOSA-N 2 1 384.568 4.042 20 0 GIADMP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414786950 824036239 /nfs/dbraw/zinc/03/62/39/824036239.db2.gz KMLQXFHJWREDCD-UHFFFAOYSA-N 2 1 390.531 4.168 20 0 GIADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805173 824037948 /nfs/dbraw/zinc/03/79/48/824037948.db2.gz AEXVPDDYKJRYOR-WCQYABFASA-N 2 1 379.854 4.183 20 0 GIADMP CC1([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]CC1 ZINC000414947557 824053208 /nfs/dbraw/zinc/05/32/08/824053208.db2.gz WRKJFUVOKKHCQA-UHFFFAOYSA-N 2 1 392.330 4.477 20 0 GIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413132 718881750 /nfs/dbraw/zinc/88/17/50/718881750.db2.gz CDPBXKRMFXFWKH-ROUUACIJSA-N 2 1 396.501 4.282 20 0 GIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1 ZINC001164427575 718946789 /nfs/dbraw/zinc/94/67/89/718946789.db2.gz FQFSTEJCZVVWOT-YTFSRNRJSA-N 2 1 376.548 4.094 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843158 720627978 /nfs/dbraw/zinc/62/79/78/720627978.db2.gz WZTABGTZKNPRJZ-FDFHNCONSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843158 720627993 /nfs/dbraw/zinc/62/79/93/720627993.db2.gz WZTABGTZKNPRJZ-FDFHNCONSA-N 2 1 389.547 4.118 20 0 GIADMP FC1(F)CCN(c2ccc3c([nH+]2)CCCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907934 721699643 /nfs/dbraw/zinc/69/96/43/721699643.db2.gz WSDNYWMWXBABIT-QFIPXVFZSA-N 2 1 398.501 4.093 20 0 GIADMP FC1(F)CCN(c2ccc3c([nH+]2)CCCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907934 721699645 /nfs/dbraw/zinc/69/96/45/721699645.db2.gz WSDNYWMWXBABIT-QFIPXVFZSA-N 2 1 398.501 4.093 20 0 GIADMP C[N@@H+](Cc1ccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1)C1CC1 ZINC001165014150 721768046 /nfs/dbraw/zinc/76/80/46/721768046.db2.gz DRQKDHALVTTWIJ-UHFFFAOYSA-N 2 1 399.498 4.187 20 0 GIADMP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165021591 721815526 /nfs/dbraw/zinc/81/55/26/721815526.db2.gz FBCCNKICEGEXNB-UCNVEGJOSA-N 2 1 375.520 4.003 20 0 GIADMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc2[nH]ccc21 ZINC001165026771 721821320 /nfs/dbraw/zinc/82/13/20/721821320.db2.gz QEPLTZAUTKVIKN-RBDMOPTHSA-N 2 1 375.520 4.003 20 0 GIADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515643 823048766 /nfs/dbraw/zinc/04/87/66/823048766.db2.gz MEXZRRDKKAHFTK-VQTJNVASSA-N 2 1 380.532 4.192 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734155 823078255 /nfs/dbraw/zinc/07/82/55/823078255.db2.gz PNBZDNXWVUUYFL-PKOBYXMFSA-N 2 1 378.442 4.175 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734155 823078259 /nfs/dbraw/zinc/07/82/59/823078259.db2.gz PNBZDNXWVUUYFL-PKOBYXMFSA-N 2 1 378.442 4.175 20 0 GIADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCc1ccncc1 ZINC000120857924 823078264 /nfs/dbraw/zinc/07/82/64/823078264.db2.gz HOUHTCRPHFBQSY-JOCHJYFZSA-N 2 1 397.563 4.127 20 0 GIADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120955903 823092634 /nfs/dbraw/zinc/09/26/34/823092634.db2.gz HTLIFEBUTAQEIJ-UHFFFAOYSA-N 2 1 383.536 4.068 20 0 GIADMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710674 823117859 /nfs/dbraw/zinc/11/78/59/823117859.db2.gz SFTQQTXXQUCVJW-PZJWPPBQSA-N 2 1 385.577 4.076 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000121189292 823134921 /nfs/dbraw/zinc/13/49/21/823134921.db2.gz ZNLHLNNAYYTKNF-KRWDZBQOSA-N 2 1 385.556 4.153 20 0 GIADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171569 /nfs/dbraw/zinc/17/15/69/823171569.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 2 1 381.568 4.366 20 0 GIADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171573 /nfs/dbraw/zinc/17/15/73/823171573.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 2 1 381.568 4.366 20 0 GIADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171562 /nfs/dbraw/zinc/17/15/62/823171562.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 2 1 381.568 4.366 20 0 GIADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171565 /nfs/dbraw/zinc/17/15/65/823171565.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 2 1 381.568 4.366 20 0 GIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000459401262 823184538 /nfs/dbraw/zinc/18/45/38/823184538.db2.gz LTDDDTONDXDULL-AWEZNQCLSA-N 2 1 376.220 4.008 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459425323 823189960 /nfs/dbraw/zinc/18/99/60/823189960.db2.gz HEIXJDLQEKBAMP-UHFFFAOYSA-N 2 1 378.524 4.135 20 0 GIADMP CCn1c(C)nnc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528864 823212550 /nfs/dbraw/zinc/21/25/50/823212550.db2.gz RBKKWLMNGIAUCV-QHCPKHFHSA-N 2 1 395.595 4.263 20 0 GIADMP FC(F)(F)c1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)c1 ZINC000459534281 823213989 /nfs/dbraw/zinc/21/39/89/823213989.db2.gz YZDDFHDXOQOXSP-FQEVSTJZSA-N 2 1 382.470 4.390 20 0 GIADMP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257593 /nfs/dbraw/zinc/25/75/93/823257593.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257597 /nfs/dbraw/zinc/25/75/97/823257597.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257600 /nfs/dbraw/zinc/25/76/00/823257600.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 1 393.550 4.010 20 0 GIADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121871014 823267050 /nfs/dbraw/zinc/26/70/50/823267050.db2.gz RRUUTVMYERHGSL-UHFFFAOYSA-N 2 1 388.581 4.231 20 0 GIADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122071194 823301802 /nfs/dbraw/zinc/30/18/02/823301802.db2.gz KFSDJRRYKBYBTO-UHFFFAOYSA-N 2 1 385.596 4.338 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242626 823306737 /nfs/dbraw/zinc/30/67/37/823306737.db2.gz UCJYCTVUTYFPLF-QHCPKHFHSA-N 2 1 397.607 4.200 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242626 823306741 /nfs/dbraw/zinc/30/67/41/823306741.db2.gz UCJYCTVUTYFPLF-QHCPKHFHSA-N 2 1 397.607 4.200 20 0 GIADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000122111918 823307923 /nfs/dbraw/zinc/30/79/23/823307923.db2.gz LMXKRECOTNQCRG-UHFFFAOYSA-N 2 1 390.531 4.017 20 0 GIADMP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)cn1 ZINC000572265852 823309762 /nfs/dbraw/zinc/30/97/62/823309762.db2.gz SKNKDKFNMKRTJZ-UHFFFAOYSA-N 2 1 386.543 4.360 20 0 GIADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382858 823330425 /nfs/dbraw/zinc/33/04/25/823330425.db2.gz JLMKJECXUBOFAC-HXUWFJFHSA-N 2 1 397.588 4.039 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000122395270 823348821 /nfs/dbraw/zinc/34/88/21/823348821.db2.gz DFQSBFYJLNOFBQ-CQSZACIVSA-N 2 1 382.426 4.218 20 0 GIADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671141 823379421 /nfs/dbraw/zinc/37/94/21/823379421.db2.gz ROXPQGCJGQDXPQ-APWZRJJASA-N 2 1 390.474 4.297 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734024 823390743 /nfs/dbraw/zinc/39/07/43/823390743.db2.gz TVJCGLTZBBFVHY-QFIPXVFZSA-N 2 1 385.596 4.086 20 0 GIADMP COc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000177288220 823422412 /nfs/dbraw/zinc/42/24/12/823422412.db2.gz QYXIFFKWVNBEKN-IBGZPJMESA-N 2 1 398.547 4.036 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000572972716 823428657 /nfs/dbraw/zinc/42/86/57/823428657.db2.gz APXKOHZCBJVPHO-UHFFFAOYSA-N 2 1 399.579 4.050 20 0 GIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177345793 823441201 /nfs/dbraw/zinc/44/12/01/823441201.db2.gz JTEAWXMSZPVWQU-SFHVURJKSA-N 2 1 387.568 4.201 20 0 GIADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000177356244 823443962 /nfs/dbraw/zinc/44/39/62/823443962.db2.gz LDQYKYKOISFQCK-HXUWFJFHSA-N 2 1 383.511 4.046 20 0 GIADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177502443 823477948 /nfs/dbraw/zinc/47/79/48/823477948.db2.gz BKHSTQFXPXXKIV-OTWHNJEPSA-N 2 1 398.551 4.009 20 0 GIADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177502443 823477953 /nfs/dbraw/zinc/47/79/53/823477953.db2.gz BKHSTQFXPXXKIV-OTWHNJEPSA-N 2 1 398.551 4.009 20 0 GIADMP C[C@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419042 823491307 /nfs/dbraw/zinc/49/13/07/823491307.db2.gz UAGKKFYQLSRQSG-DBVUQKKJSA-N 2 1 387.618 4.252 20 0 GIADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000043391377 821401192 /nfs/dbraw/zinc/40/11/92/821401192.db2.gz YHJMYBDALXZRIZ-NRFANRHFSA-N 2 1 398.551 4.469 20 0 GIADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000043391377 821401194 /nfs/dbraw/zinc/40/11/94/821401194.db2.gz YHJMYBDALXZRIZ-NRFANRHFSA-N 2 1 398.551 4.469 20 0 GIADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180738101 821425819 /nfs/dbraw/zinc/42/58/19/821425819.db2.gz DWDCGSKYDOXZKA-SFHVURJKSA-N 2 1 396.522 4.234 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181203004 821694944 /nfs/dbraw/zinc/69/49/44/821694944.db2.gz XDJCDTZIAULCJI-HKUYNNGSSA-N 2 1 391.563 4.429 20 0 GIADMP COC(=O)c1oc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000181211507 821699445 /nfs/dbraw/zinc/69/94/45/821699445.db2.gz QZTPRLHXPYVGRV-KRWDZBQOSA-N 2 1 385.508 4.069 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405374 821808906 /nfs/dbraw/zinc/80/89/06/821808906.db2.gz WZHAQZKWQXTDBU-DOTOQJQBSA-N 2 1 393.622 4.265 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405374 821808913 /nfs/dbraw/zinc/80/89/13/821808913.db2.gz WZHAQZKWQXTDBU-DOTOQJQBSA-N 2 1 393.622 4.265 20 0 GIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518444 821864025 /nfs/dbraw/zinc/86/40/25/821864025.db2.gz NZNJFRFHTIYPDJ-IRXDYDNUSA-N 2 1 399.501 4.380 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249248 822167644 /nfs/dbraw/zinc/16/76/44/822167644.db2.gz CDQFEIJMJLMVML-OXJNMPFZSA-N 2 1 390.474 4.096 20 0 GIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182261662 822175134 /nfs/dbraw/zinc/17/51/34/822175134.db2.gz RFWPJVMEPXXPDO-PXNSSMCTSA-N 2 1 378.516 4.413 20 0 GIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000182261494 822175427 /nfs/dbraw/zinc/17/54/27/822175427.db2.gz YOENWLRUJWHLFX-FPOVZHCZSA-N 2 1 390.474 4.096 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264003 822177482 /nfs/dbraw/zinc/17/74/82/822177482.db2.gz IGMFTPOAFXUJBK-KXBFYZLASA-N 2 1 394.437 4.003 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269335 822180693 /nfs/dbraw/zinc/18/06/93/822180693.db2.gz LMTFXENDFZALSA-PBHICJAKSA-N 2 1 379.331 4.411 20 0 GIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000177976625 822266043 /nfs/dbraw/zinc/26/60/43/822266043.db2.gz MHRJTUXZCHTCCD-MRXNPFEDSA-N 2 1 388.943 4.082 20 0 GIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038282 822293525 /nfs/dbraw/zinc/29/35/25/822293525.db2.gz ISPFUIYNMQIZTK-BBWFWOEESA-N 2 1 388.581 4.054 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCSc4c(F)cccc43)CC2)oc1C ZINC000178105940 822321826 /nfs/dbraw/zinc/32/18/26/822321826.db2.gz HITQQLPOIUELOF-IBGZPJMESA-N 2 1 389.540 4.469 20 0 GIADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256879 822359556 /nfs/dbraw/zinc/35/95/56/822359556.db2.gz OIFLELGTCKXRIY-GOSISDBHSA-N 2 1 379.342 4.127 20 0 GIADMP CC(C)c1ccc(-c2ncc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000182951887 822398859 /nfs/dbraw/zinc/39/88/59/822398859.db2.gz LEOWSFQLPJLLCB-UHFFFAOYSA-N 2 1 386.609 4.003 20 0 GIADMP C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100644 822424518 /nfs/dbraw/zinc/42/45/18/822424518.db2.gz JEDABQCFPNBFPZ-ICSRJNTNSA-N 2 1 393.616 4.266 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101488 822424521 /nfs/dbraw/zinc/42/45/21/822424521.db2.gz DJMKOMBEJBSSBG-PZJWPPBQSA-N 2 1 379.548 4.403 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142856 822430221 /nfs/dbraw/zinc/43/02/21/822430221.db2.gz CGNHUODZRSNYCA-KBPBESRZSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000183148182 822431264 /nfs/dbraw/zinc/43/12/64/822431264.db2.gz HXYWZWFAFLQHRM-ZDUSSCGKSA-N 2 1 386.858 4.263 20 0 GIADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156916 822432861 /nfs/dbraw/zinc/43/28/61/822432861.db2.gz LQZNKXJMEPLULT-SJORKVTESA-N 2 1 392.503 4.257 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191111 822438662 /nfs/dbraw/zinc/43/86/62/822438662.db2.gz GDXWTIORQFIZDL-IRFCIJBXSA-N 2 1 396.579 4.303 20 0 GIADMP c1cc(COc2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447017 /nfs/dbraw/zinc/44/70/17/822447017.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 2 1 377.532 4.109 20 0 GIADMP c1cc(COc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447020 /nfs/dbraw/zinc/44/70/20/822447020.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 2 1 377.532 4.109 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672309 822508903 /nfs/dbraw/zinc/50/89/03/822508903.db2.gz WBRPAPGVZCWKJS-MSOLQXFVSA-N 2 1 376.504 4.475 20 0 GIADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679904 822510218 /nfs/dbraw/zinc/51/02/18/822510218.db2.gz ZLMBAUKBHKLISL-OPAMFIHVSA-N 2 1 392.503 4.257 20 0 GIADMP Cc1[nH+]ccn1CCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000047351179 822569883 /nfs/dbraw/zinc/56/98/83/822569883.db2.gz FOHDNIGNTHNLJF-UHFFFAOYSA-N 2 1 383.540 4.168 20 0 GIADMP Cc1[nH+]ccn1CCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000047351179 822569886 /nfs/dbraw/zinc/56/98/86/822569886.db2.gz FOHDNIGNTHNLJF-UHFFFAOYSA-N 2 1 383.540 4.168 20 0 GIADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171252 822631912 /nfs/dbraw/zinc/63/19/12/822631912.db2.gz XEVCRSBYVQQWHL-SOUXKNCUSA-N 2 1 388.914 4.298 20 0 GIADMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637513 /nfs/dbraw/zinc/63/75/13/822637513.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637515 /nfs/dbraw/zinc/63/75/15/822637515.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637517 /nfs/dbraw/zinc/63/75/17/822637517.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637519 /nfs/dbraw/zinc/63/75/19/822637519.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 2 1 380.561 4.103 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000180248399 822647869 /nfs/dbraw/zinc/64/78/69/822647869.db2.gz MEEDCAQAPUVYGD-UHFFFAOYSA-N 2 1 396.560 4.127 20 0 GIADMP Cc1ccc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184657906 822671762 /nfs/dbraw/zinc/67/17/62/822671762.db2.gz HRFHSOYCAQZKCX-UGKGYDQZSA-N 2 1 394.563 4.133 20 0 GIADMP Cc1ccc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184657889 822671790 /nfs/dbraw/zinc/67/17/90/822671790.db2.gz HRFHSOYCAQZKCX-SIKLNZKXSA-N 2 1 394.563 4.133 20 0 GIADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402067 822675998 /nfs/dbraw/zinc/67/59/98/822675998.db2.gz CDIVQVCGNQKUAS-PXNSSMCTSA-N 2 1 378.532 4.297 20 0 GIADMP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000180438239 822682122 /nfs/dbraw/zinc/68/21/22/822682122.db2.gz OOOSFXLXHTUYNT-VGOFRKELSA-N 2 1 389.946 4.042 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185352653 822769941 /nfs/dbraw/zinc/76/99/41/822769941.db2.gz GFJBJPYMYSBMLI-CQSZACIVSA-N 2 1 377.326 4.457 20 0 GIADMP c1sc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccccn1 ZINC000174412409 822786722 /nfs/dbraw/zinc/78/67/22/822786722.db2.gz BZNRFWWKCVELRW-UHFFFAOYSA-N 2 1 378.545 4.002 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683121 822809817 /nfs/dbraw/zinc/80/98/17/822809817.db2.gz ABOOBTFWYLWHLB-SJLPKXTDSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697279 822811253 /nfs/dbraw/zinc/81/12/53/822811253.db2.gz ILCKMSXDXOZIEL-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697279 822811256 /nfs/dbraw/zinc/81/12/56/822811256.db2.gz ILCKMSXDXOZIEL-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185706969 822812410 /nfs/dbraw/zinc/81/24/10/822812410.db2.gz JKHXHFWGBKRZJN-SOUVJXGZSA-N 2 1 381.923 4.049 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185706969 822812414 /nfs/dbraw/zinc/81/24/14/822812414.db2.gz JKHXHFWGBKRZJN-SOUVJXGZSA-N 2 1 381.923 4.049 20 0 GIADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000175017373 822868075 /nfs/dbraw/zinc/86/80/75/822868075.db2.gz RVGIKZCJGDWUIW-UHFFFAOYSA-N 2 1 394.490 4.332 20 0 GIADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569971316 822991539 /nfs/dbraw/zinc/99/15/39/822991539.db2.gz RCQZTWNMICOZTK-QHCPKHFHSA-N 2 1 386.543 4.202 20 0 GIADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569971316 822991542 /nfs/dbraw/zinc/99/15/42/822991542.db2.gz RCQZTWNMICOZTK-QHCPKHFHSA-N 2 1 386.543 4.202 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000570066584 823002309 /nfs/dbraw/zinc/00/23/09/823002309.db2.gz AIYAVDLKRGGHIK-NEWSRXKRSA-N 2 1 394.401 4.107 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000570066584 823002312 /nfs/dbraw/zinc/00/23/12/823002312.db2.gz AIYAVDLKRGGHIK-NEWSRXKRSA-N 2 1 394.401 4.107 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000570066585 823002363 /nfs/dbraw/zinc/00/23/63/823002363.db2.gz AIYAVDLKRGGHIK-QRQLOZEOSA-N 2 1 394.401 4.107 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000570066585 823002366 /nfs/dbraw/zinc/00/23/66/823002366.db2.gz AIYAVDLKRGGHIK-QRQLOZEOSA-N 2 1 394.401 4.107 20 0 GIADMP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000570161593 823011540 /nfs/dbraw/zinc/01/15/40/823011540.db2.gz RSEVWNJIHXJEAM-LJQANCHMSA-N 2 1 391.437 4.330 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123923046 823552105 /nfs/dbraw/zinc/55/21/05/823552105.db2.gz NHHITJKVEVWYSW-LJQANCHMSA-N 2 1 392.547 4.302 20 0 GIADMP CCOc1c(Br)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003152 823572162 /nfs/dbraw/zinc/57/21/62/823572162.db2.gz WRDYXKDRHSLRSB-UHFFFAOYSA-N 2 1 399.373 4.255 20 0 GIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000062426972 823635159 /nfs/dbraw/zinc/63/51/59/823635159.db2.gz ISCHQWIXTZQWQJ-FQEVSTJZSA-N 2 1 398.547 4.103 20 0 GIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000062426972 823635161 /nfs/dbraw/zinc/63/51/61/823635161.db2.gz ISCHQWIXTZQWQJ-FQEVSTJZSA-N 2 1 398.547 4.103 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000191146673 823653708 /nfs/dbraw/zinc/65/37/08/823653708.db2.gz YQGMAKHIVURQPN-OTWHNJEPSA-N 2 1 384.568 4.232 20 0 GIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000125181214 823657227 /nfs/dbraw/zinc/65/72/27/823657227.db2.gz YMUVNCDJFBVJJH-CZSZKKDXSA-N 2 1 392.591 4.107 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209565 823659413 /nfs/dbraw/zinc/65/94/13/823659413.db2.gz XHUBADPOKTYIMZ-QZTJIDSGSA-N 2 1 384.568 4.018 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209565 823659415 /nfs/dbraw/zinc/65/94/15/823659415.db2.gz XHUBADPOKTYIMZ-QZTJIDSGSA-N 2 1 384.568 4.018 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482586 823689825 /nfs/dbraw/zinc/68/98/25/823689825.db2.gz IPHNJAATMCSLKC-GOSISDBHSA-N 2 1 378.520 4.338 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482586 823689827 /nfs/dbraw/zinc/68/98/27/823689827.db2.gz IPHNJAATMCSLKC-GOSISDBHSA-N 2 1 378.520 4.338 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491375 823690607 /nfs/dbraw/zinc/69/06/07/823690607.db2.gz LTJOGTKMZBVNRT-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491375 823690609 /nfs/dbraw/zinc/69/06/09/823690609.db2.gz LTJOGTKMZBVNRT-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518448 823694576 /nfs/dbraw/zinc/69/45/76/823694576.db2.gz WKJJFYBYYNWHKL-ZWKOTPCHSA-N 2 1 396.535 4.170 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518448 823694577 /nfs/dbraw/zinc/69/45/77/823694577.db2.gz WKJJFYBYYNWHKL-ZWKOTPCHSA-N 2 1 396.535 4.170 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000461804863 823697811 /nfs/dbraw/zinc/69/78/11/823697811.db2.gz ZJSFNQWNWRLEDO-IBGZPJMESA-N 2 1 398.547 4.036 20 0 GIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125746934 823703339 /nfs/dbraw/zinc/70/33/39/823703339.db2.gz QJUPPRMQDOBTLN-JKSUJKDBSA-N 2 1 385.474 4.133 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000163691434 823737968 /nfs/dbraw/zinc/73/79/68/823737968.db2.gz RMUQJBVHGBMAJC-UHFFFAOYSA-N 2 1 398.547 4.200 20 0 GIADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163944133 823763766 /nfs/dbraw/zinc/76/37/66/823763766.db2.gz YGUHIURFYOOCSE-SFTDATJTSA-N 2 1 396.575 4.458 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000163944020 823763818 /nfs/dbraw/zinc/76/38/18/823763818.db2.gz YGUHIURFYOOCSE-RTWAWAEBSA-N 2 1 396.575 4.458 20 0 GIADMP CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562332 823766726 /nfs/dbraw/zinc/76/67/26/823766726.db2.gz CIHPWJCCVHZCDM-FDDCHVKYSA-N 2 1 390.531 4.269 20 0 GIADMP CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562332 823766734 /nfs/dbraw/zinc/76/67/34/823766734.db2.gz CIHPWJCCVHZCDM-FDDCHVKYSA-N 2 1 390.531 4.269 20 0 GIADMP COCC[NH+]1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000462030403 823802535 /nfs/dbraw/zinc/80/25/35/823802535.db2.gz INWFDMGURFZXOF-UHFFFAOYSA-N 2 1 384.486 4.218 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511338 823805909 /nfs/dbraw/zinc/80/59/09/823805909.db2.gz LCLSWEDADCKMAR-JMQGSBJISA-N 2 1 396.556 4.500 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300040 823842341 /nfs/dbraw/zinc/84/23/41/823842341.db2.gz MDVZKDLRZFORBL-ICSRJNTNSA-N 2 1 391.559 4.132 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300408 823842584 /nfs/dbraw/zinc/84/25/84/823842584.db2.gz MDVZKDLRZFORBL-UYAOXDASSA-N 2 1 391.559 4.132 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324610 823843083 /nfs/dbraw/zinc/84/30/83/823843083.db2.gz ZNQFBVCIPIZPSW-FPOVZHCZSA-N 2 1 382.548 4.057 20 0 GIADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313753 823875377 /nfs/dbraw/zinc/87/53/77/823875377.db2.gz RATHIKBATHHYGY-ZWKOTPCHSA-N 2 1 392.469 4.224 20 0 GIADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313753 823875379 /nfs/dbraw/zinc/87/53/79/823875379.db2.gz RATHIKBATHHYGY-ZWKOTPCHSA-N 2 1 392.469 4.224 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669476 823880366 /nfs/dbraw/zinc/88/03/66/823880366.db2.gz NVNNYOQCMKQJFD-SJORKVTESA-N 2 1 386.503 4.482 20 0 GIADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126662073 823921900 /nfs/dbraw/zinc/92/19/00/823921900.db2.gz JWGRCDQWLREZIR-QGZVFWFLSA-N 2 1 386.609 4.173 20 0 GIADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414200358 823927214 /nfs/dbraw/zinc/92/72/14/823927214.db2.gz XUFYSKFDHNHZPQ-BJLQDIEVSA-N 2 1 378.532 4.156 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853322 823966640 /nfs/dbraw/zinc/96/66/40/823966640.db2.gz AWXDWRIZQIDATI-RTBURBONSA-N 2 1 380.561 4.497 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853322 823966649 /nfs/dbraw/zinc/96/66/49/823966649.db2.gz AWXDWRIZQIDATI-RTBURBONSA-N 2 1 380.561 4.497 20 0 GIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785894 823995271 /nfs/dbraw/zinc/99/52/71/823995271.db2.gz ABHWMKFORJDQEU-NBMBROAQSA-N 2 1 380.576 4.116 20 0 GIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000575785702 823995302 /nfs/dbraw/zinc/99/53/02/823995302.db2.gz WEAYFJIWISCTGC-UHFFFAOYSA-N 2 1 394.485 4.443 20 0 GIADMP C[NH2+]CCC1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000414706690 824025186 /nfs/dbraw/zinc/02/51/86/824025186.db2.gz GXDKZFJGHRPCMV-UHFFFAOYSA-N 2 1 386.584 4.305 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714575 824025589 /nfs/dbraw/zinc/02/55/89/824025589.db2.gz QJDMPLYMSGQOIG-UXHICEINSA-N 2 1 398.595 4.305 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1 ZINC001164386906 718815799 /nfs/dbraw/zinc/81/57/99/718815799.db2.gz BVVVPTZPJNBEPS-IEBWSBKVSA-N 2 1 396.501 4.139 20 0 GIADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001165050038 721971878 /nfs/dbraw/zinc/97/18/78/721971878.db2.gz YKYHNWUXBPXVQV-OAQYLSRUSA-N 2 1 389.547 4.324 20 0 GIADMP COc1ccc2c(cc[nH+]c2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952203 722014629 /nfs/dbraw/zinc/01/46/29/722014629.db2.gz JJZIPUFUHMBOPT-UHFFFAOYSA-N 2 1 388.515 4.131 20 0 GIADMP COc1ccc2c(cc[nH+]c2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952203 722014633 /nfs/dbraw/zinc/01/46/33/722014633.db2.gz JJZIPUFUHMBOPT-UHFFFAOYSA-N 2 1 388.515 4.131 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825601 823092257 /nfs/dbraw/zinc/09/22/57/823092257.db2.gz VEELZWQLTKTBNB-XMMPIXPASA-N 2 1 397.607 4.163 20 0 GIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000570886969 823102515 /nfs/dbraw/zinc/10/25/15/823102515.db2.gz QLBUHMKBUUTNNS-ONEGZZNKSA-N 2 1 391.550 4.106 20 0 GIADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000570886969 823102516 /nfs/dbraw/zinc/10/25/16/823102516.db2.gz QLBUHMKBUUTNNS-ONEGZZNKSA-N 3 1 391.550 4.106 20 0 GIADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000570886969 823102519 /nfs/dbraw/zinc/10/25/19/823102519.db2.gz QLBUHMKBUUTNNS-ONEGZZNKSA-N 3 1 391.550 4.106 20 0 GIADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459422082 823188978 /nfs/dbraw/zinc/18/89/78/823188978.db2.gz CTYVISPPIJRHJK-QZNHQXDQSA-N 2 1 397.588 4.287 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000056662023 823192300 /nfs/dbraw/zinc/19/23/00/823192300.db2.gz FRQZAWOEUJVAQG-RTBURBONSA-N 2 1 397.567 4.297 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000056662023 823192302 /nfs/dbraw/zinc/19/23/02/823192302.db2.gz FRQZAWOEUJVAQG-RTBURBONSA-N 2 1 397.567 4.297 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000121483289 823192674 /nfs/dbraw/zinc/19/26/74/823192674.db2.gz FUVDHSIRLYWCIA-WBMJQRKESA-N 2 1 380.355 4.417 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000459449614 823194601 /nfs/dbraw/zinc/19/46/01/823194601.db2.gz SYPMSPIREQUVPY-RPWUZVMVSA-N 2 1 394.559 4.138 20 0 GIADMP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471459 823199077 /nfs/dbraw/zinc/19/90/77/823199077.db2.gz TZLSLNKGXBACDU-RTWAWAEBSA-N 2 1 379.951 4.219 20 0 GIADMP FC(F)(F)c1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)c1 ZINC000459534282 823213919 /nfs/dbraw/zinc/21/39/19/823213919.db2.gz YZDDFHDXOQOXSP-HXUWFJFHSA-N 2 1 382.470 4.390 20 0 GIADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000459733416 823258520 /nfs/dbraw/zinc/25/85/20/823258520.db2.gz NMLDJVYKOUGYMC-QGZVFWFLSA-N 2 1 385.939 4.414 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000122124674 823309647 /nfs/dbraw/zinc/30/96/47/823309647.db2.gz OJBOZFAUFBQCHC-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122146747 823312783 /nfs/dbraw/zinc/31/27/83/823312783.db2.gz JVJSPTDUMFEFFW-IBGZPJMESA-N 2 1 382.552 4.309 20 0 GIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 ZINC000122326738 823338489 /nfs/dbraw/zinc/33/84/89/823338489.db2.gz BZBQYDGUWPYDFP-GJYPPUQNSA-N 2 1 398.975 4.145 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 ZINC000122326738 823338494 /nfs/dbraw/zinc/33/84/94/823338494.db2.gz BZBQYDGUWPYDFP-GJYPPUQNSA-N 2 1 398.975 4.145 20 0 GIADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)cc1 ZINC000409945998 823350302 /nfs/dbraw/zinc/35/03/02/823350302.db2.gz HKLVKKNNJLBOHJ-GOSISDBHSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)cc1 ZINC000409945998 823350307 /nfs/dbraw/zinc/35/03/07/823350307.db2.gz HKLVKKNNJLBOHJ-GOSISDBHSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000409945998 823350314 /nfs/dbraw/zinc/35/03/14/823350314.db2.gz HKLVKKNNJLBOHJ-GOSISDBHSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000409945998 823350321 /nfs/dbraw/zinc/35/03/21/823350321.db2.gz HKLVKKNNJLBOHJ-GOSISDBHSA-N 2 1 399.604 4.157 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000460346085 823359978 /nfs/dbraw/zinc/35/99/78/823359978.db2.gz FNWSUYYFUSIJGD-YPGOJHLTSA-N 2 1 385.939 4.025 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000460346085 823359981 /nfs/dbraw/zinc/35/99/81/823359981.db2.gz FNWSUYYFUSIJGD-YPGOJHLTSA-N 2 1 385.939 4.025 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc(C)[nH+]1 ZINC000122565473 823373580 /nfs/dbraw/zinc/37/35/80/823373580.db2.gz GUGSDYSYZPISOC-JOCHJYFZSA-N 2 1 392.547 4.054 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)ccc2n1 ZINC000189281440 823386184 /nfs/dbraw/zinc/38/61/84/823386184.db2.gz YYFMQPDNBKKZBN-LJQANCHMSA-N 2 1 375.516 4.054 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)ccc2n1 ZINC000189281440 823386189 /nfs/dbraw/zinc/38/61/89/823386189.db2.gz YYFMQPDNBKKZBN-LJQANCHMSA-N 2 1 375.516 4.054 20 0 GIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767509 823395395 /nfs/dbraw/zinc/39/53/95/823395395.db2.gz OAZCCKBWYNKGIS-YJBOKZPZSA-N 2 1 378.438 4.411 20 0 GIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572767509 823395399 /nfs/dbraw/zinc/39/53/99/823395399.db2.gz OAZCCKBWYNKGIS-YJBOKZPZSA-N 2 1 378.438 4.411 20 0 GIADMP COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000572972072 823428290 /nfs/dbraw/zinc/42/82/90/823428290.db2.gz NMULNTRSDCVYJB-JOCHJYFZSA-N 2 1 393.531 4.252 20 0 GIADMP CCOc1c(Br)cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029087 823574199 /nfs/dbraw/zinc/57/41/99/823574199.db2.gz VDPWUWUSBMIWDH-HNNXBMFYSA-N 2 1 399.373 4.211 20 0 GIADMP CCOc1c(Br)cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029087 823574201 /nfs/dbraw/zinc/57/42/01/823574201.db2.gz VDPWUWUSBMIWDH-HNNXBMFYSA-N 2 1 399.373 4.211 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000123669304 823530438 /nfs/dbraw/zinc/53/04/38/823530438.db2.gz BVCVVEFRMUAIRQ-OAHLLOKOSA-N 2 1 383.927 4.142 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)on1 ZINC000181150096 821665017 /nfs/dbraw/zinc/66/50/17/821665017.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)on1 ZINC000181150096 821665020 /nfs/dbraw/zinc/66/50/20/821665020.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)on1 ZINC000181150096 821665025 /nfs/dbraw/zinc/66/50/25/821665025.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)on1 ZINC000181150096 821665030 /nfs/dbraw/zinc/66/50/30/821665030.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 2 1 391.515 4.420 20 0 GIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000181409674 821810869 /nfs/dbraw/zinc/81/08/69/821810869.db2.gz ZAUCNNQCCZHPPW-OTWHNJEPSA-N 2 1 382.495 4.097 20 0 GIADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181411643 821811773 /nfs/dbraw/zinc/81/17/73/821811773.db2.gz XBLBCFAIWNGCCF-HBMCJLEFSA-N 2 1 392.971 4.220 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000181601455 821897941 /nfs/dbraw/zinc/89/79/41/821897941.db2.gz WNEHAEZIXDXTCF-GOSISDBHSA-N 2 1 379.504 4.447 20 0 GIADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740860 821971484 /nfs/dbraw/zinc/97/14/84/821971484.db2.gz BEOBROLPYQCJLS-RTWAWAEBSA-N 2 1 389.584 4.221 20 0 GIADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029186 822067607 /nfs/dbraw/zinc/06/76/07/822067607.db2.gz NOIHUURAQQCQIY-VDGAXYAQSA-N 2 1 386.536 4.250 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225313 822155641 /nfs/dbraw/zinc/15/56/41/822155641.db2.gz XCLPUOKQNHFZFQ-VQIMIIECSA-N 2 1 390.474 4.096 20 0 GIADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000182227732 822157189 /nfs/dbraw/zinc/15/71/89/822157189.db2.gz KEDOQXCHVYLVAJ-VWNXMTODSA-N 2 1 382.548 4.139 20 0 GIADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242028 822163511 /nfs/dbraw/zinc/16/35/11/822163511.db2.gz GSUFOIDOLJZCMX-VWNXMTODSA-N 2 1 394.559 4.264 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-c2ccncc2)c1 ZINC000182264196 822177438 /nfs/dbraw/zinc/17/74/38/822177438.db2.gz ADTJUOUGJVGYAK-DFBJGRDBSA-N 2 1 387.527 4.166 20 0 GIADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266151 822178362 /nfs/dbraw/zinc/17/83/62/822178362.db2.gz JZZUFIPHWJMFEA-UZLBHIALSA-N 2 1 388.939 4.156 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977099 822266753 /nfs/dbraw/zinc/26/67/53/822266753.db2.gz QMSIJVSLDBCKGA-SFHVURJKSA-N 2 1 381.520 4.334 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000182638680 822334635 /nfs/dbraw/zinc/33/46/35/822334635.db2.gz UTUMOTIRCVCHKQ-GOSISDBHSA-N 2 1 375.520 4.106 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839264 822376180 /nfs/dbraw/zinc/37/61/80/822376180.db2.gz RHNZEPAWSNTSNT-WOJBJXKFSA-N 3 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839264 822376186 /nfs/dbraw/zinc/37/61/86/822376186.db2.gz RHNZEPAWSNTSNT-WOJBJXKFSA-N 2 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839264 822376192 /nfs/dbraw/zinc/37/61/92/822376192.db2.gz RHNZEPAWSNTSNT-WOJBJXKFSA-N 2 1 375.601 4.308 20 0 GIADMP CC(=O)N(c1nc(C[NH2+]CCCC[N@H+](C)C2CC2)cs1)c1ccc(C)cc1 ZINC000453590764 822389945 /nfs/dbraw/zinc/38/99/45/822389945.db2.gz BFSYSAVCOFRENY-UHFFFAOYSA-N 2 1 386.565 4.100 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1C[NH+]1CCCCC1 ZINC000182930730 822395052 /nfs/dbraw/zinc/39/50/52/822395052.db2.gz FZWXSMWJUXUAOS-IBGZPJMESA-N 2 1 392.547 4.488 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101552 822424491 /nfs/dbraw/zinc/42/44/91/822424491.db2.gz DJMKOMBEJBSSBG-CTNGQTDRSA-N 2 1 379.548 4.403 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103059 822424723 /nfs/dbraw/zinc/42/47/23/822424723.db2.gz ZCBGWSQFPYVHLD-XLIONFOSSA-N 2 1 399.583 4.438 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183136791 822429072 /nfs/dbraw/zinc/42/90/72/822429072.db2.gz QLQOYIGYYCRQAC-SJORKVTESA-N 2 1 394.494 4.190 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000183136863 822429098 /nfs/dbraw/zinc/42/90/98/822429098.db2.gz QLQOYIGYYCRQAC-DLBZAZTESA-N 2 1 394.494 4.190 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000183178610 822436254 /nfs/dbraw/zinc/43/62/54/822436254.db2.gz TYNRWKKZCTZEGU-KRWDZBQOSA-N 2 1 383.492 4.440 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000454223710 822440639 /nfs/dbraw/zinc/44/06/39/822440639.db2.gz GBCIJORHAJHPPE-XMMPIXPASA-N 2 1 398.595 4.401 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000454223710 822440644 /nfs/dbraw/zinc/44/06/44/822440644.db2.gz GBCIJORHAJHPPE-XMMPIXPASA-N 2 1 398.595 4.401 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000454223710 822440648 /nfs/dbraw/zinc/44/06/48/822440648.db2.gz GBCIJORHAJHPPE-XMMPIXPASA-N 2 1 398.595 4.401 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000179389608 822475581 /nfs/dbraw/zinc/47/55/81/822475581.db2.gz AKEJOGUYWIIZCQ-UHFFFAOYSA-N 2 1 383.927 4.121 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428138 822481270 /nfs/dbraw/zinc/48/12/70/822481270.db2.gz NQKGKXJWFYBHQX-IRFPFTSISA-N 2 1 389.547 4.192 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428138 822481272 /nfs/dbraw/zinc/48/12/72/822481272.db2.gz NQKGKXJWFYBHQX-IRFPFTSISA-N 2 1 389.547 4.192 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183493861 822485539 /nfs/dbraw/zinc/48/55/39/822485539.db2.gz DHYRLMAFVLMTKY-FQEVSTJZSA-N 2 1 375.557 4.018 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000183678829 822510029 /nfs/dbraw/zinc/51/00/29/822510029.db2.gz YXQOGEVXBQEXHY-HNNXBMFYSA-N 2 1 382.895 4.432 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682289 822510412 /nfs/dbraw/zinc/51/04/12/822510412.db2.gz QKVDQGOUZDMJSA-JKSUJKDBSA-N 2 1 380.467 4.306 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180015376 822597102 /nfs/dbraw/zinc/59/71/02/822597102.db2.gz LFTOHGUIHFBIES-HXUWFJFHSA-N 2 1 384.395 4.452 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180109965 822617327 /nfs/dbraw/zinc/61/73/27/822617327.db2.gz KKOTZPURSMYVNM-VWLOTQADSA-N 2 1 379.592 4.400 20 0 GIADMP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC000180141224 822624958 /nfs/dbraw/zinc/62/49/58/822624958.db2.gz SWTJKJANPOMFKS-CWAQXLGLSA-N 2 1 390.575 4.144 20 0 GIADMP C[C@H](CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509402 822647761 /nfs/dbraw/zinc/64/77/61/822647761.db2.gz QODXZUBUPUWBPQ-RTBURBONSA-N 2 1 392.609 4.318 20 0 GIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298808 822659044 /nfs/dbraw/zinc/65/90/44/822659044.db2.gz OOEUGPKCNOSBLH-HSZRJFAPSA-N 2 1 380.511 4.279 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298808 822659046 /nfs/dbraw/zinc/65/90/46/822659046.db2.gz OOEUGPKCNOSBLH-HSZRJFAPSA-N 2 1 380.511 4.279 20 0 GIADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402122 822675991 /nfs/dbraw/zinc/67/59/91/822675991.db2.gz CDIVQVCGNQKUAS-YLJYHZDGSA-N 2 1 378.532 4.297 20 0 GIADMP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000180438203 822681968 /nfs/dbraw/zinc/68/19/68/822681968.db2.gz OOOSFXLXHTUYNT-VGSWGCGISA-N 2 1 389.946 4.042 20 0 GIADMP CC[N@H+](CCC1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1)CC1CC1 ZINC000455614444 822684636 /nfs/dbraw/zinc/68/46/36/822684636.db2.gz CTBWNLBSJWGFIS-UHFFFAOYSA-N 2 1 383.540 4.009 20 0 GIADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1)CC1CC1 ZINC000455614444 822684638 /nfs/dbraw/zinc/68/46/38/822684638.db2.gz CTBWNLBSJWGFIS-UHFFFAOYSA-N 2 1 383.540 4.009 20 0 GIADMP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575804 822705091 /nfs/dbraw/zinc/70/50/91/822705091.db2.gz HCTQHHHXWBCKCM-OFVILXPXSA-N 2 1 378.560 4.483 20 0 GIADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000455939939 822753723 /nfs/dbraw/zinc/75/37/23/822753723.db2.gz UAOZBFDLQCKKIZ-FHZYATBESA-N 2 1 392.547 4.020 20 0 GIADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516931 822799925 /nfs/dbraw/zinc/79/99/25/822799925.db2.gz BJGZHSHSGRNPJF-DYESRHJHSA-N 2 1 378.495 4.251 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751959 822817615 /nfs/dbraw/zinc/81/76/15/822817615.db2.gz UGFOIUUYCMUXQO-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751959 822817619 /nfs/dbraw/zinc/81/76/19/822817619.db2.gz UGFOIUUYCMUXQO-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868899 822848931 /nfs/dbraw/zinc/84/89/31/822848931.db2.gz URSUYPBPEVKLJR-JOCHJYFZSA-N 2 1 394.563 4.124 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000186341488 822878593 /nfs/dbraw/zinc/87/85/93/822878593.db2.gz GORJWFFJQDDSGW-HLFJOQDNSA-N 2 1 376.504 4.057 20 0 GIADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186345653 822879167 /nfs/dbraw/zinc/87/91/67/822879167.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 2 1 380.532 4.286 20 0 GIADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186345653 822879169 /nfs/dbraw/zinc/87/91/69/822879169.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 2 1 380.532 4.286 20 0 GIADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186345653 822879172 /nfs/dbraw/zinc/87/91/72/822879172.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 2 1 380.532 4.286 20 0 GIADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186345653 822879174 /nfs/dbraw/zinc/87/91/74/822879174.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 2 1 380.532 4.286 20 0 GIADMP CCn1c2ccccc2c2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc21 ZINC000569123729 822881679 /nfs/dbraw/zinc/88/16/79/822881679.db2.gz WCLYASYYCUOXMC-LJQANCHMSA-N 2 1 377.532 4.002 20 0 GIADMP CC(C)c1cccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000457629482 822898748 /nfs/dbraw/zinc/89/87/48/822898748.db2.gz LFCOFCGHOKSHCI-UHFFFAOYSA-N 2 1 399.623 4.007 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186518778 822907462 /nfs/dbraw/zinc/90/74/62/822907462.db2.gz MVYPNJOVBSKXHG-QLFBSQMISA-N 2 1 381.358 4.458 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186518778 822907467 /nfs/dbraw/zinc/90/74/67/822907467.db2.gz MVYPNJOVBSKXHG-QLFBSQMISA-N 2 1 381.358 4.458 20 0 GIADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000569327005 822907995 /nfs/dbraw/zinc/90/79/95/822907995.db2.gz GACURPNLHJEMOJ-QGZVFWFLSA-N 2 1 384.486 4.434 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000186589778 822918618 /nfs/dbraw/zinc/91/86/18/822918618.db2.gz CRMKRURLRCCOKA-INIZCTEOSA-N 2 1 388.353 4.366 20 0 GIADMP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971039 822991471 /nfs/dbraw/zinc/99/14/71/822991471.db2.gz CDNRNNSTVMJSAK-MRXNPFEDSA-N 2 1 395.494 4.491 20 0 GIADMP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971039 822991472 /nfs/dbraw/zinc/99/14/72/822991472.db2.gz CDNRNNSTVMJSAK-MRXNPFEDSA-N 2 1 395.494 4.491 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123494 823014104 /nfs/dbraw/zinc/01/41/04/823014104.db2.gz ARZIFKABABHEHD-LJQANCHMSA-N 2 1 391.559 4.117 20 0 GIADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060580883 823544641 /nfs/dbraw/zinc/54/46/41/823544641.db2.gz GXQQTJZMQAFYRJ-DEOSSOPVSA-N 2 1 393.575 4.057 20 0 GIADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248281 823560329 /nfs/dbraw/zinc/56/03/29/823560329.db2.gz ATHWVXUHVXUKAX-GOTSBHOMSA-N 2 1 383.967 4.141 20 0 GIADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411262641 823560947 /nfs/dbraw/zinc/56/09/47/823560947.db2.gz HVHWCXPZCUJVSZ-QFIPXVFZSA-N 2 1 385.596 4.047 20 0 GIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411497365 823581519 /nfs/dbraw/zinc/58/15/19/823581519.db2.gz ZBGHVBJXNYAIQQ-QFIPXVFZSA-N 2 1 377.536 4.202 20 0 GIADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124379515 823591861 /nfs/dbraw/zinc/59/18/61/823591861.db2.gz OJPPKUHDZKYIMC-HXUWFJFHSA-N 2 1 395.591 4.286 20 0 GIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124493591 823601241 /nfs/dbraw/zinc/60/12/41/823601241.db2.gz YLWALPXMYUNZAC-QGZVFWFLSA-N 2 1 386.609 4.043 20 0 GIADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000411812547 823607318 /nfs/dbraw/zinc/60/73/18/823607318.db2.gz YOMBUXQCQUHZSK-UHFFFAOYSA-N 2 1 383.502 4.131 20 0 GIADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000061735339 823610207 /nfs/dbraw/zinc/61/02/07/823610207.db2.gz OTUAOPZWRLCTRS-UHFFFAOYSA-N 2 1 382.552 4.387 20 0 GIADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614949 823611318 /nfs/dbraw/zinc/61/13/18/823611318.db2.gz BZCFOZBEYUYDJB-QKLQHJQFSA-N 2 1 399.604 4.482 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574424231 823725937 /nfs/dbraw/zinc/72/59/37/823725937.db2.gz QNJKNEWVBDGEPI-HUDNXNEVSA-N 2 1 391.987 4.102 20 0 GIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451964 823733878 /nfs/dbraw/zinc/73/38/78/823733878.db2.gz YZYBZBWGXUKIPM-LEWJYISDSA-N 2 1 378.516 4.003 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451964 823733879 /nfs/dbraw/zinc/73/38/79/823733879.db2.gz YZYBZBWGXUKIPM-LEWJYISDSA-N 2 1 378.516 4.003 20 0 GIADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027691 823736964 /nfs/dbraw/zinc/73/69/64/823736964.db2.gz ZDAINVLZIIVSPA-UHFFFAOYSA-N 2 1 398.576 4.367 20 0 GIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462030482 823802759 /nfs/dbraw/zinc/80/27/59/823802759.db2.gz BLRFDZXSAWABCU-UHFFFAOYSA-N 2 1 394.485 4.472 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000164575193 823809493 /nfs/dbraw/zinc/80/94/93/823809493.db2.gz CWSSMMOLIKNILQ-HXUWFJFHSA-N 2 1 391.559 4.178 20 0 GIADMP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113586 823832218 /nfs/dbraw/zinc/83/22/18/823832218.db2.gz TXZJOQITIGZSBF-PXNSSMCTSA-N 2 1 383.502 4.162 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318412 823843410 /nfs/dbraw/zinc/84/34/10/823843410.db2.gz WRAOJIXADMBYJS-IRLDBZIGSA-N 2 1 391.559 4.029 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318536 823843462 /nfs/dbraw/zinc/84/34/62/823843462.db2.gz WRAOJIXADMBYJS-RBBKRZOGSA-N 2 1 391.559 4.029 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165334917 823844581 /nfs/dbraw/zinc/84/45/81/823844581.db2.gz XWLPFEQIRJURHB-UNMCSNQZSA-N 2 1 391.559 4.029 20 0 GIADMP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166484978 823878596 /nfs/dbraw/zinc/87/85/96/823878596.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 2 1 386.543 4.315 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664386 823880682 /nfs/dbraw/zinc/88/06/82/823880682.db2.gz CMAVNFFMHIOZTL-GJZGRUSLSA-N 2 1 397.910 4.297 20 0 GIADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000167163408 823887791 /nfs/dbraw/zinc/88/77/91/823887791.db2.gz BNTWJTPVHNWFKB-HXUWFJFHSA-N 2 1 386.580 4.297 20 0 GIADMP CCc1ncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414436282 823985328 /nfs/dbraw/zinc/98/53/28/823985328.db2.gz BZNBEHPFJWGRPR-UXGKSEPASA-N 2 1 384.955 4.396 20 0 GIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785893 823995335 /nfs/dbraw/zinc/99/53/35/823995335.db2.gz ABHWMKFORJDQEU-MHOPESGUSA-N 2 1 380.576 4.116 20 0 GIADMP COc1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959171 824038163 /nfs/dbraw/zinc/03/81/63/824038163.db2.gz LUOGUQKLAJUFKU-IFXJQAMLSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959171 824038167 /nfs/dbraw/zinc/03/81/67/824038167.db2.gz LUOGUQKLAJUFKU-IFXJQAMLSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959171 824038175 /nfs/dbraw/zinc/03/81/75/824038175.db2.gz LUOGUQKLAJUFKU-IFXJQAMLSA-N 2 1 381.358 4.229 20 0 GIADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2)cc1 ZINC001164940933 721927312 /nfs/dbraw/zinc/92/73/12/721927312.db2.gz WVTGBEJJSCRFMF-UHFFFAOYSA-N 2 1 395.547 4.049 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357021 823049025 /nfs/dbraw/zinc/04/90/25/823049025.db2.gz OYGLLODBWARIKQ-GDBMZVCRSA-N 2 1 381.358 4.200 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357021 823049031 /nfs/dbraw/zinc/04/90/31/823049031.db2.gz OYGLLODBWARIKQ-GDBMZVCRSA-N 2 1 381.358 4.200 20 0 GIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000571247083 823155032 /nfs/dbraw/zinc/15/50/32/823155032.db2.gz SMMIMYVSUNYARC-QFIPXVFZSA-N 2 1 392.591 4.389 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C/c3ccc(F)cc3)CC2)c1C ZINC000571569343 823201784 /nfs/dbraw/zinc/20/17/84/823201784.db2.gz ZLVRUFGIKCYIPU-AATRIKPKSA-N 2 1 397.538 4.456 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C/c3ccc(F)cc3)CC2)c1C ZINC000571569343 823201787 /nfs/dbraw/zinc/20/17/87/823201787.db2.gz ZLVRUFGIKCYIPU-AATRIKPKSA-N 2 1 397.538 4.456 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459522553 823210612 /nfs/dbraw/zinc/21/06/12/823210612.db2.gz IMOLLTBQDJDVKR-SFHVURJKSA-N 2 1 380.561 4.193 20 0 GIADMP CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459533985 823213984 /nfs/dbraw/zinc/21/39/84/823213984.db2.gz OYLCCUOUDLIISH-LJQANCHMSA-N 2 1 395.385 4.003 20 0 GIADMP Clc1cccc(CC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593621 823226734 /nfs/dbraw/zinc/22/67/34/823226734.db2.gz QMJHESAAOUDURF-JOCHJYFZSA-N 2 1 398.978 4.401 20 0 GIADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000121713505 823235709 /nfs/dbraw/zinc/23/57/09/823235709.db2.gz PASIYOPFXADXTK-UHFFFAOYSA-N 2 1 397.485 4.232 20 0 GIADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121789855 823251999 /nfs/dbraw/zinc/25/19/99/823251999.db2.gz QYDADVWOQJYYFR-DEOSSOPVSA-N 2 1 392.543 4.011 20 0 GIADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121790154 823252069 /nfs/dbraw/zinc/25/20/69/823252069.db2.gz YTVHTIKJJIXULY-DEOSSOPVSA-N 2 1 392.543 4.011 20 0 GIADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000459733414 823258531 /nfs/dbraw/zinc/25/85/31/823258531.db2.gz NMLDJVYKOUGYMC-KRWDZBQOSA-N 2 1 385.939 4.414 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000188626721 823275701 /nfs/dbraw/zinc/27/57/01/823275701.db2.gz HOKQSDXJHVNFSP-FNHZYXHNSA-N 2 1 381.442 4.315 20 0 GIADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000572249760 823307388 /nfs/dbraw/zinc/30/73/88/823307388.db2.gz YFHYBKZEJNLLGC-OAHLLOKOSA-N 2 1 381.467 4.187 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1Br ZINC000122303622 823335352 /nfs/dbraw/zinc/33/53/52/823335352.db2.gz PIBUVMXFGFIFJP-OAHLLOKOSA-N 2 1 377.326 4.240 20 0 GIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)[C@H](C)C1 ZINC000122340304 823340983 /nfs/dbraw/zinc/34/09/83/823340983.db2.gz ULNHVYNCMLUYQS-VKJFTORMSA-N 2 1 388.474 4.215 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)[C@H](C)C1 ZINC000122340304 823340991 /nfs/dbraw/zinc/34/09/91/823340991.db2.gz ULNHVYNCMLUYQS-VKJFTORMSA-N 2 1 388.474 4.215 20 0 GIADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(Br)c1 ZINC000057889642 823345554 /nfs/dbraw/zinc/34/55/54/823345554.db2.gz ZVHINJGYVPNEBL-HXUWFJFHSA-N 2 1 395.385 4.071 20 0 GIADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102828 823357898 /nfs/dbraw/zinc/35/78/98/823357898.db2.gz WLBJBYMXTWELBK-LJQANCHMSA-N 2 1 398.551 4.134 20 0 GIADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102828 823357904 /nfs/dbraw/zinc/35/79/04/823357904.db2.gz WLBJBYMXTWELBK-LJQANCHMSA-N 2 1 398.551 4.134 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460361670 823363724 /nfs/dbraw/zinc/36/37/24/823363724.db2.gz HQSVQAATTNMJQY-IRXDYDNUSA-N 2 1 399.966 4.333 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734023 823390660 /nfs/dbraw/zinc/39/06/60/823390660.db2.gz TVJCGLTZBBFVHY-JOCHJYFZSA-N 2 1 385.596 4.086 20 0 GIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)o1 ZINC000572796520 823400168 /nfs/dbraw/zinc/40/01/68/823400168.db2.gz NNSWFCFFJMGNTK-UHFFFAOYSA-N 2 1 383.467 4.019 20 0 GIADMP COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000572946800 823425319 /nfs/dbraw/zinc/42/53/19/823425319.db2.gz CIXJXXZDUHUEFJ-SFHVURJKSA-N 2 1 379.504 4.447 20 0 GIADMP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364694 820089513 /nfs/dbraw/zinc/08/95/13/820089513.db2.gz OOVZTRTWZNJHFF-ROUUACIJSA-N 2 1 399.966 4.160 20 0 GIADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465215 /nfs/dbraw/zinc/46/52/15/823465215.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465221 /nfs/dbraw/zinc/46/52/21/823465221.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465227 /nfs/dbraw/zinc/46/52/27/823465227.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 1 375.560 4.219 20 0 GIADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465315 /nfs/dbraw/zinc/46/53/15/823465315.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465317 /nfs/dbraw/zinc/46/53/17/823465317.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465321 /nfs/dbraw/zinc/46/53/21/823465321.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 1 375.560 4.219 20 0 GIADMP Cc1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030909912 820707648 /nfs/dbraw/zinc/70/76/48/820707648.db2.gz DKGDZPMVKFBWEM-UHFFFAOYSA-N 2 1 394.588 4.413 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950067 823517025 /nfs/dbraw/zinc/51/70/25/823517025.db2.gz DWOMLXJLAQYHHI-DETIRCLXSA-N 2 1 399.623 4.017 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)nc3ccccc23)[C@H](C)C1 ZINC000189993859 823523074 /nfs/dbraw/zinc/52/30/74/823523074.db2.gz KSYOAXDRFILCCL-APWZRJJASA-N 2 1 375.944 4.115 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643722 821380004 /nfs/dbraw/zinc/38/00/04/821380004.db2.gz WMBBUBJKLPVFNJ-KSSFIOAISA-N 2 1 379.331 4.411 20 0 GIADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000180738497 821426262 /nfs/dbraw/zinc/42/62/62/821426262.db2.gz LCXITEOTPCVEMB-ROUUACIJSA-N 2 1 387.593 4.413 20 0 GIADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180994976 821581826 /nfs/dbraw/zinc/58/18/26/821581826.db2.gz ZPDMIYBXKVHXHK-UHFFFAOYSA-N 2 1 392.499 4.318 20 0 GIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000181676803 821939226 /nfs/dbraw/zinc/93/92/26/821939226.db2.gz UXBYIDRSLJTXNS-UHFFFAOYSA-N 2 1 399.623 4.115 20 0 GIADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740354 821971578 /nfs/dbraw/zinc/97/15/78/821971578.db2.gz LIKDRLCIJXJHGR-VQTJNVASSA-N 2 1 377.573 4.077 20 0 GIADMP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000182240670 822162496 /nfs/dbraw/zinc/16/24/96/822162496.db2.gz XPJVBDWZJNUTSV-OXJNMPFZSA-N 2 1 388.552 4.355 20 0 GIADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177980042 822267909 /nfs/dbraw/zinc/26/79/09/822267909.db2.gz MEZNMWHJZGESPH-SFHVURJKSA-N 2 1 383.536 4.042 20 0 GIADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569412 822307004 /nfs/dbraw/zinc/30/70/04/822307004.db2.gz VJYGWFWDHQHPDR-AZCLRUCKSA-N 2 1 381.486 4.009 20 0 GIADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178239861 822357552 /nfs/dbraw/zinc/35/75/52/822357552.db2.gz PSCQOKNVEAPHRC-YWZLYKJASA-N 2 1 391.437 4.099 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178696174 822403610 /nfs/dbraw/zinc/40/36/10/822403610.db2.gz XXJOIFHAODVDSQ-CXAGYDPISA-N 2 1 378.314 4.094 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140491 822429811 /nfs/dbraw/zinc/42/98/11/822429811.db2.gz BBAPELHLIQUOQF-MSOLQXFVSA-N 2 1 376.504 4.475 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007947 822433981 /nfs/dbraw/zinc/43/39/81/822433981.db2.gz UWWJWTRSSBGWCI-LJQANCHMSA-N 2 1 394.563 4.302 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000454223709 822440534 /nfs/dbraw/zinc/44/05/34/822440534.db2.gz GBCIJORHAJHPPE-DEOSSOPVSA-N 2 1 398.595 4.401 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000454223709 822440539 /nfs/dbraw/zinc/44/05/39/822440539.db2.gz GBCIJORHAJHPPE-DEOSSOPVSA-N 2 1 398.595 4.401 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000454223709 822440544 /nfs/dbraw/zinc/44/05/44/822440544.db2.gz GBCIJORHAJHPPE-DEOSSOPVSA-N 2 1 398.595 4.401 20 0 GIADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394657 822476499 /nfs/dbraw/zinc/47/64/99/822476499.db2.gz SEGBJJRLSIPURL-MRXNPFEDSA-N 2 1 397.548 4.493 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454516775 822489222 /nfs/dbraw/zinc/48/92/22/822489222.db2.gz UHNJAEMRWFXUQC-UHFFFAOYSA-N 2 1 383.540 4.051 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454516775 822489225 /nfs/dbraw/zinc/48/92/25/822489225.db2.gz UHNJAEMRWFXUQC-UHFFFAOYSA-N 2 1 383.540 4.051 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000454521419 822490831 /nfs/dbraw/zinc/49/08/31/822490831.db2.gz YOGZMEHUAHWBDU-UHFFFAOYSA-N 2 1 383.540 4.051 20 0 GIADMP CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183671955 822509011 /nfs/dbraw/zinc/50/90/11/822509011.db2.gz HUYIVFTYYDOZPW-HNNXBMFYSA-N 2 1 380.517 4.192 20 0 GIADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180024366 822599250 /nfs/dbraw/zinc/59/92/50/822599250.db2.gz JOFDKTYUCZYXIF-DEOSSOPVSA-N 2 1 392.522 4.424 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180110351 822617464 /nfs/dbraw/zinc/61/74/64/822617464.db2.gz RCCUIYQMDXONPN-CWAQXLGLSA-N 2 1 397.607 4.199 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180110475 822617474 /nfs/dbraw/zinc/61/74/74/822617474.db2.gz YEDOAJDEKTWDAB-HSZRJFAPSA-N 2 1 385.983 4.437 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180157710 822629230 /nfs/dbraw/zinc/62/92/30/822629230.db2.gz AVSUPZGZCUGICM-HSZRJFAPSA-N 2 1 380.511 4.280 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185352173 822769811 /nfs/dbraw/zinc/76/98/11/822769811.db2.gz JMJZMEYFKUACMW-CQSZACIVSA-N 2 1 377.326 4.457 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000174453776 822792105 /nfs/dbraw/zinc/79/21/05/822792105.db2.gz YYAYCZXNPITWGG-UHFFFAOYSA-N 2 1 384.911 4.389 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729365 822815431 /nfs/dbraw/zinc/81/54/31/822815431.db2.gz WQUJTIJUZDUTFL-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729365 822815434 /nfs/dbraw/zinc/81/54/34/822815434.db2.gz WQUJTIJUZDUTFL-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185759931 822818459 /nfs/dbraw/zinc/81/84/59/822818459.db2.gz MZDCFBNCIANGSS-ZVVDCOBXSA-N 2 1 385.596 4.057 20 0 GIADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185759931 822818463 /nfs/dbraw/zinc/81/84/63/822818463.db2.gz MZDCFBNCIANGSS-ZVVDCOBXSA-N 2 1 385.596 4.057 20 0 GIADMP C[C@@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768796 822819580 /nfs/dbraw/zinc/81/95/80/822819580.db2.gz QIMHUDGQHOKTOY-HZPDHXFCSA-N 2 1 381.358 4.071 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897315 /nfs/dbraw/zinc/89/73/15/822897315.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 1 399.373 4.019 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897319 /nfs/dbraw/zinc/89/73/19/822897319.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 1 399.373 4.019 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175217434 822906918 /nfs/dbraw/zinc/90/69/18/822906918.db2.gz DQLBLMJRYCQTJT-SEJPIABJSA-N 2 1 395.551 4.192 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000175217434 822906922 /nfs/dbraw/zinc/90/69/22/822906922.db2.gz DQLBLMJRYCQTJT-SEJPIABJSA-N 2 1 395.551 4.192 20 0 GIADMP [NH3+][C@H](CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)CC1CCCCC1 ZINC000569728252 822959637 /nfs/dbraw/zinc/95/96/37/822959637.db2.gz RNPUJWJFYIWMFW-HXUWFJFHSA-N 2 1 389.609 4.252 20 0 GIADMP COCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569746774 822962769 /nfs/dbraw/zinc/96/27/69/822962769.db2.gz FJUTZKWTAMWHIN-QHCPKHFHSA-N 2 1 382.548 4.104 20 0 GIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000570369723 823030274 /nfs/dbraw/zinc/03/02/74/823030274.db2.gz XUTGOVOLHCDCRI-KRWDZBQOSA-N 2 1 384.467 4.013 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000123956623 823555200 /nfs/dbraw/zinc/55/52/00/823555200.db2.gz WSSJDRSUVZPVFA-INIZCTEOSA-N 2 1 383.927 4.223 20 0 GIADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411262638 823560936 /nfs/dbraw/zinc/56/09/36/823560936.db2.gz HVHWCXPZCUJVSZ-JOCHJYFZSA-N 2 1 385.596 4.047 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563603 /nfs/dbraw/zinc/56/36/03/823563603.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563604 /nfs/dbraw/zinc/56/36/04/823563604.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563605 /nfs/dbraw/zinc/56/36/05/823563605.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 2 1 393.575 4.087 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000411534293 823585766 /nfs/dbraw/zinc/58/57/66/823585766.db2.gz PCESJOIUNXPFKI-IGOJGBNBSA-N 2 1 388.353 4.090 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000411534293 823585767 /nfs/dbraw/zinc/58/57/67/823585767.db2.gz PCESJOIUNXPFKI-IGOJGBNBSA-N 2 1 388.353 4.090 20 0 GIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553276 823587758 /nfs/dbraw/zinc/58/77/58/823587758.db2.gz QVUPQYZEWFBSEU-FXAWDEMLSA-N 2 1 385.939 4.169 20 0 GIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700023 823597892 /nfs/dbraw/zinc/59/78/92/823597892.db2.gz ZCCLJWAIPLVJRM-NRFANRHFSA-N 2 1 383.511 4.045 20 0 GIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700023 823597895 /nfs/dbraw/zinc/59/78/95/823597895.db2.gz ZCCLJWAIPLVJRM-NRFANRHFSA-N 2 1 383.511 4.045 20 0 GIADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411755140 823602656 /nfs/dbraw/zinc/60/26/56/823602656.db2.gz RFFVJLQYNDZXQH-HXUWFJFHSA-N 2 1 398.378 4.023 20 0 GIADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473641 823643963 /nfs/dbraw/zinc/64/39/63/823643963.db2.gz VDTRNRIEMBMKTE-DHIUTWEWSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000461473641 823643966 /nfs/dbraw/zinc/64/39/66/823643966.db2.gz VDTRNRIEMBMKTE-DHIUTWEWSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000461473641 823643969 /nfs/dbraw/zinc/64/39/69/823643969.db2.gz VDTRNRIEMBMKTE-DHIUTWEWSA-N 2 1 397.607 4.060 20 0 GIADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000191070238 823644880 /nfs/dbraw/zinc/64/48/80/823644880.db2.gz VODQUEROUZREPL-NRFANRHFSA-N 2 1 392.465 4.260 20 0 GIADMP Cc1csc(N2CCC([NH2+]C3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)n1 ZINC000125067701 823649650 /nfs/dbraw/zinc/64/96/50/823649650.db2.gz PZPLZXOGTSJDRQ-SFHVURJKSA-N 2 1 384.593 4.236 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474169 823689027 /nfs/dbraw/zinc/68/90/27/823689027.db2.gz UQDVLWQXDUZFTB-MRXNPFEDSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474169 823689028 /nfs/dbraw/zinc/68/90/28/823689028.db2.gz UQDVLWQXDUZFTB-MRXNPFEDSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497852 823691601 /nfs/dbraw/zinc/69/16/01/823691601.db2.gz JYESUKFMXKHNPK-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497852 823691602 /nfs/dbraw/zinc/69/16/02/823691602.db2.gz JYESUKFMXKHNPK-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000164496948 823805569 /nfs/dbraw/zinc/80/55/69/823805569.db2.gz PZZJDZJQIKNLMW-GOSISDBHSA-N 2 1 392.609 4.318 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324974 823843992 /nfs/dbraw/zinc/84/39/92/823843992.db2.gz ZNQFBVCIPIZPSW-TZIWHRDSSA-N 2 1 382.548 4.057 20 0 GIADMP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000165981544 823867358 /nfs/dbraw/zinc/86/73/58/823867358.db2.gz VRIRLCPIHQKAQT-RBBKRZOGSA-N 2 1 397.607 4.058 20 0 GIADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007650 823885681 /nfs/dbraw/zinc/88/56/81/823885681.db2.gz JILZHXVVYKZISQ-DYESRHJHSA-N 2 1 399.604 4.339 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081947 823904553 /nfs/dbraw/zinc/90/45/53/823904553.db2.gz FHPGKWXASBPRLK-MOPGFXCFSA-N 2 1 377.573 4.075 20 0 GIADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171666 823922306 /nfs/dbraw/zinc/92/23/06/823922306.db2.gz DKBHCUKWQJMPOK-OLZOCXBDSA-N 2 1 378.410 4.272 20 0 GIADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414200368 823927624 /nfs/dbraw/zinc/92/76/24/823927624.db2.gz XUFYSKFDHNHZPQ-NSHGMRRFSA-N 2 1 378.532 4.156 20 0 GIADMP CC[NH+]1CCC(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000575197863 823936212 /nfs/dbraw/zinc/93/62/12/823936212.db2.gz MOXNJWONVAVWJT-UHFFFAOYSA-N 2 1 386.584 4.305 20 0 GIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000414303365 823954275 /nfs/dbraw/zinc/95/42/75/823954275.db2.gz NUMFOKHWLNZVTE-UHFFFAOYSA-N 2 1 380.511 4.450 20 0 GIADMP c1csc(C[N@@H+]2CCC[C@@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803351 823955243 /nfs/dbraw/zinc/95/52/43/823955243.db2.gz IFBSVAUJZFZWLM-QFIPXVFZSA-N 2 1 397.632 4.257 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846566 823965269 /nfs/dbraw/zinc/96/52/69/823965269.db2.gz WTUDDAQIRSQSSA-XOWTYJCDSA-N 2 1 376.591 4.048 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846566 823965277 /nfs/dbraw/zinc/96/52/77/823965277.db2.gz WTUDDAQIRSQSSA-XOWTYJCDSA-N 2 1 376.591 4.048 20 0 GIADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000575599900 823978925 /nfs/dbraw/zinc/97/89/25/823978925.db2.gz PTNGSRGLRJSOQM-UHFFFAOYSA-N 2 1 394.003 4.321 20 0 GIADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414435656 823985515 /nfs/dbraw/zinc/98/55/15/823985515.db2.gz RBNXFMJCTYIQEF-UHFFFAOYSA-N 2 1 393.510 4.063 20 0 GIADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785890 823995353 /nfs/dbraw/zinc/99/53/53/823995353.db2.gz ABHWMKFORJDQEU-JMLJLYKJSA-N 2 1 380.576 4.116 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000414716684 824026181 /nfs/dbraw/zinc/02/61/81/824026181.db2.gz SNYFQXMAISHJLX-OAQYLSRUSA-N 2 1 380.536 4.273 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000575955905 824036697 /nfs/dbraw/zinc/03/66/97/824036697.db2.gz AXTJRPJZICYTRG-UHFFFAOYSA-N 2 1 378.520 4.428 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000575955905 824036701 /nfs/dbraw/zinc/03/67/01/824036701.db2.gz AXTJRPJZICYTRG-UHFFFAOYSA-N 2 1 378.520 4.428 20 0 GIADMP Cc1[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc2[nH]ccc21 ZINC001164840965 720707431 /nfs/dbraw/zinc/70/74/31/720707431.db2.gz TWVROOGPDFKJPB-FQEVSTJZSA-N 2 1 390.531 4.131 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187395146 823055367 /nfs/dbraw/zinc/05/53/67/823055367.db2.gz YEPALFFAONCNAB-OAQYLSRUSA-N 2 1 391.918 4.146 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000570818505 823091415 /nfs/dbraw/zinc/09/14/15/823091415.db2.gz CEBGDPWAQSEBEX-DNQXCXABSA-N 2 1 392.543 4.422 20 0 GIADMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984786 823097753 /nfs/dbraw/zinc/09/77/53/823097753.db2.gz GMZOCELXPYDGKQ-QGZVFWFLSA-N 2 1 388.531 4.304 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984786 823097760 /nfs/dbraw/zinc/09/77/60/823097760.db2.gz GMZOCELXPYDGKQ-QGZVFWFLSA-N 2 1 388.531 4.304 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984786 823097767 /nfs/dbraw/zinc/09/77/67/823097767.db2.gz GMZOCELXPYDGKQ-QGZVFWFLSA-N 2 1 388.531 4.304 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863699 823098064 /nfs/dbraw/zinc/09/80/64/823098064.db2.gz YNZINQGVDAASJS-DEOSSOPVSA-N 2 1 397.607 4.163 20 0 GIADMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710653 823117852 /nfs/dbraw/zinc/11/78/52/823117852.db2.gz SFTQQTXXQUCVJW-FPOVZHCZSA-N 2 1 385.577 4.076 20 0 GIADMP CN(CC[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1)C1CC[NH+](C)CC1 ZINC000571207875 823148717 /nfs/dbraw/zinc/14/87/17/823148717.db2.gz LHZSRJCMGLPPOA-UHFFFAOYSA-N 2 1 375.557 4.012 20 0 GIADMP c1cc(CN2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cs1 ZINC000121266986 823151659 /nfs/dbraw/zinc/15/16/59/823151659.db2.gz BUKNCIVEYRPCPI-UHFFFAOYSA-N 2 1 383.605 4.009 20 0 GIADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325617 823165467 /nfs/dbraw/zinc/16/54/67/823165467.db2.gz QXJNJFOWDIOAAO-CBNMVNINSA-N 2 1 380.536 4.191 20 0 GIADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325617 823165470 /nfs/dbraw/zinc/16/54/70/823165470.db2.gz QXJNJFOWDIOAAO-CBNMVNINSA-N 2 1 380.536 4.191 20 0 GIADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1cccs1 ZINC000571366380 823172363 /nfs/dbraw/zinc/17/23/63/823172363.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 2 1 386.561 4.393 20 0 GIADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1cccs1 ZINC000571366380 823172365 /nfs/dbraw/zinc/17/23/65/823172365.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 2 1 386.561 4.393 20 0 GIADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1cccs1 ZINC000571366380 823172368 /nfs/dbraw/zinc/17/23/68/823172368.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 2 1 386.561 4.393 20 0 GIADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1cccs1 ZINC000571366380 823172369 /nfs/dbraw/zinc/17/23/69/823172369.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 2 1 386.561 4.393 20 0 GIADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459396674 823182997 /nfs/dbraw/zinc/18/29/97/823182997.db2.gz CPJAFXFRUCBUSD-LBPRGKRZSA-N 2 1 391.338 4.199 20 0 GIADMP c1cc2c(s1)CCN([C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)c1ccccc1)C2 ZINC000459385079 823179603 /nfs/dbraw/zinc/17/96/03/823179603.db2.gz ZFDSVZCJDXIWFH-QFIPXVFZSA-N 2 1 381.589 4.064 20 0 GIADMP c1cc2c(s1)CCN([C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)c1ccccc1)C2 ZINC000459385078 823179693 /nfs/dbraw/zinc/17/96/93/823179693.db2.gz ZFDSVZCJDXIWFH-JOCHJYFZSA-N 2 1 381.589 4.064 20 0 GIADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459422081 823188959 /nfs/dbraw/zinc/18/89/59/823188959.db2.gz CTYVISPPIJRHJK-MQSCRBSSSA-N 2 1 397.588 4.287 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459522528 823210670 /nfs/dbraw/zinc/21/06/70/823210670.db2.gz IMOLLTBQDJDVKR-GOSISDBHSA-N 2 1 380.561 4.193 20 0 GIADMP CC1(C)C[N@@H+](Cc2cnc(C3CC3)nc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570703 823222676 /nfs/dbraw/zinc/22/26/76/823222676.db2.gz NIOFNMCGBXXUTA-HSZRJFAPSA-N 2 1 390.575 4.477 20 0 GIADMP Clc1cccc(CC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593628 823226658 /nfs/dbraw/zinc/22/66/58/823226658.db2.gz QMJHESAAOUDURF-QFIPXVFZSA-N 2 1 398.978 4.401 20 0 GIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3cccc(Br)c3)sc2C1 ZINC000459647175 823237795 /nfs/dbraw/zinc/23/77/95/823237795.db2.gz SXVPHCIFQPKDBN-UHFFFAOYSA-N 2 1 394.382 4.004 20 0 GIADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCc3cccc(Br)c3)sc2C1 ZINC000459647175 823237797 /nfs/dbraw/zinc/23/77/97/823237797.db2.gz SXVPHCIFQPKDBN-UHFFFAOYSA-N 2 1 394.382 4.004 20 0 GIADMP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc2C1 ZINC000188594407 823268808 /nfs/dbraw/zinc/26/88/08/823268808.db2.gz KJFUMANGYMSCSU-UHFFFAOYSA-N 2 1 387.568 4.290 20 0 GIADMP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000122100849 823306456 /nfs/dbraw/zinc/30/64/56/823306456.db2.gz PZIWIHLPWZHIQG-UHFFFAOYSA-N 2 1 382.552 4.057 20 0 GIADMP C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015183989 818297642 /nfs/dbraw/zinc/29/76/42/818297642.db2.gz MRQAXNKCEKIECD-UHFFFAOYSA-N 2 1 388.515 4.386 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522022 823353316 /nfs/dbraw/zinc/35/33/16/823353316.db2.gz ZMPBNXXQSKTZND-QHCPKHFHSA-N 2 1 394.559 4.389 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522022 823353322 /nfs/dbraw/zinc/35/33/22/823353322.db2.gz ZMPBNXXQSKTZND-QHCPKHFHSA-N 2 1 394.559 4.389 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122466775 823358619 /nfs/dbraw/zinc/35/86/19/823358619.db2.gz QCIRORNFRBNCOW-UIFIKXQLSA-N 2 1 387.568 4.247 20 0 GIADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1ccc(F)cc1 ZINC000022820195 818864169 /nfs/dbraw/zinc/86/41/69/818864169.db2.gz CYWAWDFPYRTZEF-UHFFFAOYSA-N 2 1 384.495 4.130 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)ccc2n1 ZINC000189281464 823386157 /nfs/dbraw/zinc/38/61/57/823386157.db2.gz YYFMQPDNBKKZBN-IBGZPJMESA-N 2 1 375.516 4.054 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)ccc2n1 ZINC000189281464 823386160 /nfs/dbraw/zinc/38/61/60/823386160.db2.gz YYFMQPDNBKKZBN-IBGZPJMESA-N 2 1 375.516 4.054 20 0 GIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841354 823408100 /nfs/dbraw/zinc/40/81/00/823408100.db2.gz RCSJKSQWFOXUKU-TUACAJSNSA-N 2 1 378.560 4.328 20 0 GIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841354 823408103 /nfs/dbraw/zinc/40/81/03/823408103.db2.gz RCSJKSQWFOXUKU-TUACAJSNSA-N 2 1 378.560 4.328 20 0 GIADMP COCCCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000572946799 823425337 /nfs/dbraw/zinc/42/53/37/823425337.db2.gz CIXJXXZDUHUEFJ-GOSISDBHSA-N 2 1 379.504 4.447 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000028899375 820369881 /nfs/dbraw/zinc/36/98/81/820369881.db2.gz JQFBJCSEJFVQHB-MRXNPFEDSA-N 2 1 387.474 4.068 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506108 823478895 /nfs/dbraw/zinc/47/88/95/823478895.db2.gz VBMJQTQVYUEOGE-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506108 823478901 /nfs/dbraw/zinc/47/89/01/823478901.db2.gz VBMJQTQVYUEOGE-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](CC(C)C)CC3)c2)cc1 ZINC000042207483 821284419 /nfs/dbraw/zinc/28/44/19/821284419.db2.gz VMMDNOPUFMXBPD-UHFFFAOYSA-N 2 1 395.547 4.158 20 0 GIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000180998510 821583847 /nfs/dbraw/zinc/58/38/47/821583847.db2.gz HVBVXRWTJBHAAO-OAQYLSRUSA-N 2 1 394.490 4.251 20 0 GIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000180998510 821583852 /nfs/dbraw/zinc/58/38/52/821583852.db2.gz HVBVXRWTJBHAAO-OAQYLSRUSA-N 2 1 394.490 4.251 20 0 GIADMP CCCCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741058 821971293 /nfs/dbraw/zinc/97/12/93/821971293.db2.gz TZBGOJVJGSCCTE-UXHICEINSA-N 2 1 377.573 4.077 20 0 GIADMP CCCCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740885 821971542 /nfs/dbraw/zinc/97/15/42/821971542.db2.gz TZBGOJVJGSCCTE-VQTJNVASSA-N 2 1 377.573 4.077 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225293 822155869 /nfs/dbraw/zinc/15/58/69/822155869.db2.gz XCLPUOKQNHFZFQ-QFBILLFUSA-N 2 1 390.474 4.096 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000182230211 822157605 /nfs/dbraw/zinc/15/76/05/822157605.db2.gz PWGIKVMNENHITL-CTNGQTDRSA-N 2 1 386.536 4.109 20 0 GIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182247403 822166730 /nfs/dbraw/zinc/16/67/30/822166730.db2.gz ZVVZLCXGSPPWAP-AUSIDOKSSA-N 2 1 382.548 4.281 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262463 822175996 /nfs/dbraw/zinc/17/59/96/822175996.db2.gz JKJAVRGBPKBFEN-AZUAARDMSA-N 2 1 388.964 4.233 20 0 GIADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977668 822266652 /nfs/dbraw/zinc/26/66/52/822266652.db2.gz ZZOUCHVTBKKKLA-KRWDZBQOSA-N 2 1 386.536 4.403 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977112 822266836 /nfs/dbraw/zinc/26/68/36/822266836.db2.gz QMSIJVSLDBCKGA-GOSISDBHSA-N 2 1 381.520 4.334 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978683 822267446 /nfs/dbraw/zinc/26/74/46/822267446.db2.gz QDNFRUMKBWDQIM-KRWDZBQOSA-N 2 1 395.526 4.406 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978683 822267454 /nfs/dbraw/zinc/26/74/54/822267454.db2.gz QDNFRUMKBWDQIM-KRWDZBQOSA-N 2 1 395.526 4.406 20 0 GIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(O)ccc2Br)c1 ZINC000178162204 822337828 /nfs/dbraw/zinc/33/78/28/822337828.db2.gz UHESJUJBZKADBX-UHFFFAOYSA-N 2 1 377.326 4.285 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(O)ccc2Br)c1 ZINC000178162204 822337837 /nfs/dbraw/zinc/33/78/37/822337837.db2.gz UHESJUJBZKADBX-UHFFFAOYSA-N 2 1 377.326 4.285 20 0 GIADMP Cc1nc(C)c([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178211536 822353683 /nfs/dbraw/zinc/35/36/83/822353683.db2.gz NTCMJCNUHRLZHU-SFHVURJKSA-N 2 1 386.609 4.009 20 0 GIADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178254975 822359115 /nfs/dbraw/zinc/35/91/15/822359115.db2.gz YBRMCEVITCVICK-SFHVURJKSA-N 2 1 379.342 4.127 20 0 GIADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000182825815 822373942 /nfs/dbraw/zinc/37/39/42/822373942.db2.gz MSRBXANKMWHZLL-MOPGFXCFSA-N 3 1 384.568 4.173 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000178657644 822400282 /nfs/dbraw/zinc/40/02/82/822400282.db2.gz OFOOWMZAYPSSMM-GOSISDBHSA-N 2 1 386.511 4.166 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183136817 822429064 /nfs/dbraw/zinc/42/90/64/822429064.db2.gz QLQOYIGYYCRQAC-IRXDYDNUSA-N 2 1 394.494 4.190 20 0 GIADMP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183141287 822430115 /nfs/dbraw/zinc/43/01/15/822430115.db2.gz UWBZHZRWKKRQEC-IRXDYDNUSA-N 2 1 392.503 4.257 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000183179127 822436334 /nfs/dbraw/zinc/43/63/34/822436334.db2.gz DXDWIIRQENHUDD-SFHVURJKSA-N 3 1 375.601 4.451 20 0 GIADMP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390973 822475767 /nfs/dbraw/zinc/47/57/67/822475767.db2.gz JMTQNHIBNQLWBJ-UHFFFAOYSA-N 2 1 394.563 4.382 20 0 GIADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391585 822476137 /nfs/dbraw/zinc/47/61/37/822476137.db2.gz HALNBGJJXAYPMU-FQEVSTJZSA-N 2 1 394.563 4.264 20 0 GIADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183550430 822493600 /nfs/dbraw/zinc/49/36/00/822493600.db2.gz GYBBIYSJIZROJY-XMMPIXPASA-N 2 1 393.506 4.430 20 0 GIADMP CCCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680807 822510485 /nfs/dbraw/zinc/51/04/85/822510485.db2.gz OVJRHPPBIAWFHL-OXJNMPFZSA-N 2 1 395.507 4.325 20 0 GIADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183706958 822514645 /nfs/dbraw/zinc/51/46/45/822514645.db2.gz PUGTXTYOZXFJTD-DLBZAZTESA-N 2 1 393.487 4.144 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC3CCC(C(F)(F)F)CC3)CC2)oc1C ZINC000183707124 822514661 /nfs/dbraw/zinc/51/46/61/822514661.db2.gz CUNQRGRTTHGYNQ-UHFFFAOYSA-N 2 1 387.490 4.462 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000047571339 822592588 /nfs/dbraw/zinc/59/25/88/822592588.db2.gz WSBARCWQMWFVGP-UHFFFAOYSA-N 2 1 395.551 4.147 20 0 GIADMP Fc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC000180134605 822623166 /nfs/dbraw/zinc/62/31/66/822623166.db2.gz GSWCFINABHRNKJ-NOTZXAQLSA-N 2 1 396.506 4.020 20 0 GIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745017 822680781 /nfs/dbraw/zinc/68/07/81/822680781.db2.gz NBJTVHRLIFCRNV-SFHVURJKSA-N 2 1 378.495 4.110 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464314 822686789 /nfs/dbraw/zinc/68/67/89/822686789.db2.gz NSZUDDLNJLVYQC-SJLPKXTDSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464314 822686791 /nfs/dbraw/zinc/68/67/91/822686791.db2.gz NSZUDDLNJLVYQC-SJLPKXTDSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000455858219 822738224 /nfs/dbraw/zinc/73/82/24/822738224.db2.gz PBYICVMYBATVOW-CECAUBDESA-N 2 1 384.568 4.010 20 0 GIADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000185282327 822759226 /nfs/dbraw/zinc/75/92/26/822759226.db2.gz VJRKHIDVHVNFPU-HNNXBMFYSA-N 2 1 379.913 4.312 20 0 GIADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000185282327 822759228 /nfs/dbraw/zinc/75/92/28/822759228.db2.gz VJRKHIDVHVNFPU-HNNXBMFYSA-N 2 1 379.913 4.312 20 0 GIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC000052120027 822790992 /nfs/dbraw/zinc/79/09/92/822790992.db2.gz GGAGNGOVWPXAIM-UHFFFAOYSA-N 2 1 385.515 4.202 20 0 GIADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc(OC)c1 ZINC000174451121 822791631 /nfs/dbraw/zinc/79/16/31/822791631.db2.gz JRUAYBOGDYULRB-UHFFFAOYSA-N 2 1 380.488 4.219 20 0 GIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1OC ZINC000174452131 822791693 /nfs/dbraw/zinc/79/16/93/822791693.db2.gz VMOSWKFGQRYLTG-UHFFFAOYSA-N 2 1 380.488 4.219 20 0 GIADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000174453207 822791887 /nfs/dbraw/zinc/79/18/87/822791887.db2.gz RJMSSBMADCUTCJ-UHFFFAOYSA-N 2 1 375.879 4.048 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000174452916 822791897 /nfs/dbraw/zinc/79/18/97/822791897.db2.gz VUHYCTVLRXDHGZ-UHFFFAOYSA-N 2 1 386.503 4.009 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000174453117 822791906 /nfs/dbraw/zinc/79/19/06/822791906.db2.gz IDPXWWAWOPMLFJ-UHFFFAOYSA-N 2 1 390.940 4.450 20 0 GIADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)ccc21 ZINC000456309111 822796940 /nfs/dbraw/zinc/79/69/40/822796940.db2.gz JJPYLZZBJLZCDF-KZNAEPCWSA-N 2 1 397.485 4.083 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663374 822808151 /nfs/dbraw/zinc/80/81/51/822808151.db2.gz PLGIATJFHKNLQM-TZIWHRDSSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663374 822808154 /nfs/dbraw/zinc/80/81/54/822808154.db2.gz PLGIATJFHKNLQM-TZIWHRDSSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675531 822809030 /nfs/dbraw/zinc/80/90/30/822809030.db2.gz QJBMFTWZAKTGJO-WOJBJXKFSA-N 2 1 395.547 4.055 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675531 822809034 /nfs/dbraw/zinc/80/90/34/822809034.db2.gz QJBMFTWZAKTGJO-WOJBJXKFSA-N 2 1 395.547 4.055 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677998 822809149 /nfs/dbraw/zinc/80/91/49/822809149.db2.gz URZOVTGVGAFFBK-PMPSAXMXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677998 822809154 /nfs/dbraw/zinc/80/91/54/822809154.db2.gz URZOVTGVGAFFBK-PMPSAXMXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697264 822811065 /nfs/dbraw/zinc/81/10/65/822811065.db2.gz ILCKMSXDXOZIEL-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697264 822811067 /nfs/dbraw/zinc/81/10/67/822811067.db2.gz ILCKMSXDXOZIEL-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740240 822816527 /nfs/dbraw/zinc/81/65/27/822816527.db2.gz WWMDYPQCPXLIHA-FVJLSDCUSA-N 2 1 391.625 4.194 20 0 GIADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740240 822816531 /nfs/dbraw/zinc/81/65/31/822816531.db2.gz WWMDYPQCPXLIHA-FVJLSDCUSA-N 2 1 391.625 4.194 20 0 GIADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000175017418 822868020 /nfs/dbraw/zinc/86/80/20/822868020.db2.gz YCGQSBLOKBLTJA-UHFFFAOYSA-N 2 1 376.500 4.193 20 0 GIADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003226 822868851 /nfs/dbraw/zinc/86/88/51/822868851.db2.gz KCAMPINJHMAIAF-VXKWHMMOSA-N 2 1 379.548 4.099 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393454 822886932 /nfs/dbraw/zinc/88/69/32/822886932.db2.gz VIQDSFCZZKJYBP-AVRDEDQJSA-N 2 1 380.532 4.474 20 0 GIADMP COc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1OC ZINC000569312428 822905937 /nfs/dbraw/zinc/90/59/37/822905937.db2.gz IGQXXSXALDLKSI-DKUWSORSSA-N 2 1 380.532 4.032 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)cc1O ZINC000186518738 822907498 /nfs/dbraw/zinc/90/74/98/822907498.db2.gz MVYPNJOVBSKXHG-SOUVJXGZSA-N 2 1 381.358 4.458 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)cc1O ZINC000186518738 822907503 /nfs/dbraw/zinc/90/75/03/822907503.db2.gz MVYPNJOVBSKXHG-SOUVJXGZSA-N 2 1 381.358 4.458 20 0 GIADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569971315 822991577 /nfs/dbraw/zinc/99/15/77/822991577.db2.gz RCQZTWNMICOZTK-HSZRJFAPSA-N 2 1 386.543 4.202 20 0 GIADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569971315 822991579 /nfs/dbraw/zinc/99/15/79/822991579.db2.gz RCQZTWNMICOZTK-HSZRJFAPSA-N 2 1 386.543 4.202 20 0 GIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010846 822997278 /nfs/dbraw/zinc/99/72/78/822997278.db2.gz BIIRSYCOLHSIQR-OXQOHEQNSA-N 2 1 375.944 4.115 20 0 GIADMP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000187110198 823011825 /nfs/dbraw/zinc/01/18/25/823011825.db2.gz KUDVRRUGFMAPLL-UHFFFAOYSA-N 2 1 389.337 4.343 20 0 GIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187164341 823019695 /nfs/dbraw/zinc/01/96/95/823019695.db2.gz ZYILZNSQNVSWHM-ZDUSSCGKSA-N 2 1 380.305 4.286 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187164341 823019698 /nfs/dbraw/zinc/01/96/98/823019698.db2.gz ZYILZNSQNVSWHM-ZDUSSCGKSA-N 2 1 380.305 4.286 20 0 GIADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000570322598 823025787 /nfs/dbraw/zinc/02/57/87/823025787.db2.gz DHUPJYKPBXOVNT-ZLHNRXBCSA-N 2 1 386.580 4.390 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000570438799 823038610 /nfs/dbraw/zinc/03/86/10/823038610.db2.gz KCARZDYDRXJEAW-SFHVURJKSA-N 2 1 375.520 4.335 20 0 GIADMP O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411149278 823551861 /nfs/dbraw/zinc/55/18/61/823551861.db2.gz QCUWCWHXDBLMTM-UHFFFAOYSA-N 2 1 391.559 4.021 20 0 GIADMP O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411187757 823555494 /nfs/dbraw/zinc/55/54/94/823555494.db2.gz QHKKOYSZYWUGGM-UHFFFAOYSA-N 2 1 397.588 4.082 20 0 GIADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248282 823560388 /nfs/dbraw/zinc/56/03/88/823560388.db2.gz ATHWVXUHVXUKAX-PKTZIBPZSA-N 2 1 383.967 4.141 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411308155 823563823 /nfs/dbraw/zinc/56/38/23/823563823.db2.gz OKVHNQWVFFPNIP-UHFFFAOYSA-N 2 1 393.575 4.089 20 0 GIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411400483 823570406 /nfs/dbraw/zinc/57/04/06/823570406.db2.gz NXPVYUBJIMFOHE-UHFFFAOYSA-N 2 1 376.504 4.209 20 0 GIADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411400483 823570408 /nfs/dbraw/zinc/57/04/08/823570408.db2.gz NXPVYUBJIMFOHE-UHFFFAOYSA-N 2 1 376.504 4.209 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124138182 823571034 /nfs/dbraw/zinc/57/10/34/823571034.db2.gz CQBLNMCZYBPAGR-QFIPXVFZSA-N 2 1 391.494 4.492 20 0 GIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000061029108 823574262 /nfs/dbraw/zinc/57/42/62/823574262.db2.gz CVUNMXZGQKOJCZ-FQEVSTJZSA-N 2 1 389.547 4.288 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000061029108 823574264 /nfs/dbraw/zinc/57/42/64/823574264.db2.gz CVUNMXZGQKOJCZ-FQEVSTJZSA-N 2 1 389.547 4.288 20 0 GIADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC2 ZINC000411455637 823576587 /nfs/dbraw/zinc/57/65/87/823576587.db2.gz YRNUKKBCXIVJEQ-UHFFFAOYSA-N 2 1 393.531 4.368 20 0 GIADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC2 ZINC000411455637 823576589 /nfs/dbraw/zinc/57/65/89/823576589.db2.gz YRNUKKBCXIVJEQ-UHFFFAOYSA-N 2 1 393.531 4.368 20 0 GIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)CC1 ZINC000061070183 823576783 /nfs/dbraw/zinc/57/67/83/823576783.db2.gz GDQYTOCCFFELQH-UHFFFAOYSA-N 2 1 379.573 4.329 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553279 823587731 /nfs/dbraw/zinc/58/77/31/823587731.db2.gz QVUPQYZEWFBSEU-YLJYHZDGSA-N 2 1 385.939 4.169 20 0 GIADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000411560645 823588246 /nfs/dbraw/zinc/58/82/46/823588246.db2.gz YESWQTDYJHBLKF-XMMPIXPASA-N 2 1 392.522 4.424 20 0 GIADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411688792 823596971 /nfs/dbraw/zinc/59/69/71/823596971.db2.gz DDIQTXSTFCIOPJ-NOTZXAQLSA-N 2 1 378.564 4.317 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000124597410 823609759 /nfs/dbraw/zinc/60/97/59/823609759.db2.gz DBPUWYTWSKYCFT-KSZLIROESA-N 2 1 386.511 4.294 20 0 GIADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632901 823612833 /nfs/dbraw/zinc/61/28/33/823612833.db2.gz MTPURZHOVGMUIY-YRNRMSPPSA-N 2 1 385.577 4.228 20 0 GIADMP c1ccc(OCc2cccnc2)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319745 823662174 /nfs/dbraw/zinc/66/21/74/823662174.db2.gz YFGOIVYFMJVFBM-UHFFFAOYSA-N 2 1 379.548 4.405 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483239 823689711 /nfs/dbraw/zinc/68/97/11/823689711.db2.gz GIOCAKWPQAHXOI-HNNXBMFYSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483239 823689715 /nfs/dbraw/zinc/68/97/15/823689715.db2.gz GIOCAKWPQAHXOI-HNNXBMFYSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000191516774 823694381 /nfs/dbraw/zinc/69/43/81/823694381.db2.gz BIWFRLMKSOVMPY-IBGZPJMESA-N 2 1 392.547 4.188 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000191516774 823694383 /nfs/dbraw/zinc/69/43/83/823694383.db2.gz BIWFRLMKSOVMPY-IBGZPJMESA-N 2 1 392.547 4.188 20 0 GIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000063917524 823711458 /nfs/dbraw/zinc/71/14/58/823711458.db2.gz JHRCEMPNYAJAMO-HXUWFJFHSA-N 2 1 398.547 4.104 20 0 GIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000063917524 823711464 /nfs/dbraw/zinc/71/14/64/823711464.db2.gz JHRCEMPNYAJAMO-HXUWFJFHSA-N 2 1 398.547 4.104 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3OC(F)F)CC2)[nH+]c1 ZINC000163533761 823719015 /nfs/dbraw/zinc/71/90/15/823719015.db2.gz XCPQZIDJZKZUKM-AWEZNQCLSA-N 2 1 379.426 4.450 20 0 GIADMP COc1cccc(Cl)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191634154 823720780 /nfs/dbraw/zinc/72/07/80/823720780.db2.gz URKWWLUSVCZWOM-UHFFFAOYSA-N 2 1 387.955 4.169 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000163694860 823738210 /nfs/dbraw/zinc/73/82/10/823738210.db2.gz DIZLRGQDHYWCHS-IBGZPJMESA-N 2 1 398.547 4.200 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000163694860 823738213 /nfs/dbraw/zinc/73/82/13/823738213.db2.gz DIZLRGQDHYWCHS-IBGZPJMESA-N 2 1 398.547 4.200 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C\c3ccccc3)CC2)c1C ZINC000574558538 823765612 /nfs/dbraw/zinc/76/56/12/823765612.db2.gz LBLLDVAJBRXTQN-FLIBITNWSA-N 2 1 379.548 4.317 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C\c3ccccc3)CC2)c1C ZINC000574558538 823765622 /nfs/dbraw/zinc/76/56/22/823765622.db2.gz LBLLDVAJBRXTQN-FLIBITNWSA-N 2 1 379.548 4.317 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000126234780 823817510 /nfs/dbraw/zinc/81/75/10/823817510.db2.gz GKRZVVNEJZBFFL-UHFFFAOYSA-N 2 1 392.341 4.030 20 0 GIADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297000 823842473 /nfs/dbraw/zinc/84/24/73/823842473.db2.gz KXPAZUWKPQIKQG-CTNGQTDRSA-N 2 1 382.548 4.227 20 0 GIADMP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877793 823849417 /nfs/dbraw/zinc/84/94/17/823849417.db2.gz UQVDMDKAEFLLAM-XMMPIXPASA-N 2 1 386.543 4.218 20 0 GIADMP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877793 823849426 /nfs/dbraw/zinc/84/94/26/823849426.db2.gz UQVDMDKAEFLLAM-XMMPIXPASA-N 2 1 386.543 4.218 20 0 GIADMP c1cc2c(s1)CCN([C@@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871481 /nfs/dbraw/zinc/87/14/81/823871481.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 1 381.589 4.064 20 0 GIADMP c1cnn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466782 823877801 /nfs/dbraw/zinc/87/78/01/823877801.db2.gz WELITOZONCIFDQ-BJKOFHAPSA-N 2 1 386.543 4.315 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669257 823880506 /nfs/dbraw/zinc/88/05/06/823880506.db2.gz NVNNYOQCMKQJFD-IRXDYDNUSA-N 2 1 386.503 4.482 20 0 GIADMP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000167640098 823894327 /nfs/dbraw/zinc/89/43/27/823894327.db2.gz LGAKUZNSCVZXHI-SFHVURJKSA-N 2 1 379.504 4.365 20 0 GIADMP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126719141 823934593 /nfs/dbraw/zinc/93/45/93/823934593.db2.gz DGYKYBGKTNUOJD-FQEVSTJZSA-N 2 1 381.564 4.072 20 0 GIADMP CN(CC[N@@H+](C)Cc1ccc(-c2ccccc2F)s1)C1CC[NH+](C)CC1 ZINC000575368691 823963787 /nfs/dbraw/zinc/96/37/87/823963787.db2.gz PHWCYEURFYVGDE-UHFFFAOYSA-N 2 1 375.557 4.012 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839421 823963839 /nfs/dbraw/zinc/96/38/39/823963839.db2.gz XUFANAKTFSQJOK-RTBURBONSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839421 823963848 /nfs/dbraw/zinc/96/38/48/823963848.db2.gz XUFANAKTFSQJOK-RTBURBONSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879914 823972693 /nfs/dbraw/zinc/97/26/93/823972693.db2.gz OHLGKQPFVXPZNT-RBUKOAKNSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879914 823972698 /nfs/dbraw/zinc/97/26/98/823972698.db2.gz OHLGKQPFVXPZNT-RBUKOAKNSA-N 2 1 397.588 4.438 20 0 GIADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837765 824008574 /nfs/dbraw/zinc/00/85/74/824008574.db2.gz NEEDRUAELZHWQY-HSZRJFAPSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837765 824008585 /nfs/dbraw/zinc/00/85/85/824008585.db2.gz NEEDRUAELZHWQY-HSZRJFAPSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837765 824008594 /nfs/dbraw/zinc/00/85/94/824008594.db2.gz NEEDRUAELZHWQY-HSZRJFAPSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837765 824008599 /nfs/dbraw/zinc/00/85/99/824008599.db2.gz NEEDRUAELZHWQY-HSZRJFAPSA-N 2 1 392.572 4.247 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N(CC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000414719586 824026488 /nfs/dbraw/zinc/02/64/88/824026488.db2.gz YXHPZEJEPYCTKM-UHFFFAOYSA-N 2 1 394.563 4.444 20 0 GIADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805175 824037887 /nfs/dbraw/zinc/03/78/87/824037887.db2.gz AEXVPDDYKJRYOR-YPMHNXCESA-N 2 1 379.854 4.183 20 0 GIADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854240 824042588 /nfs/dbraw/zinc/04/25/88/824042588.db2.gz USPHTXAZSIQYJN-YPMHNXCESA-N 2 1 379.854 4.039 20 0 GIADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c([nH+]2)CCCC4)CC3)cs1 ZINC001164692569 719807179 /nfs/dbraw/zinc/80/71/79/719807179.db2.gz JJLXZMARQMWWEF-UHFFFAOYSA-N 2 1 382.577 4.360 20 0 GIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c([nH+]2)CCCC4)CC3)cs1 ZINC001164692569 719807180 /nfs/dbraw/zinc/80/71/80/719807180.db2.gz JJLXZMARQMWWEF-UHFFFAOYSA-N 2 1 382.577 4.360 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164838600 720572718 /nfs/dbraw/zinc/57/27/18/720572718.db2.gz OSAYRQLUZPEILX-FUPPJEDESA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164838600 720572725 /nfs/dbraw/zinc/57/27/25/720572725.db2.gz OSAYRQLUZPEILX-FUPPJEDESA-N 2 1 389.547 4.118 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839791 720696013 /nfs/dbraw/zinc/69/60/13/720696013.db2.gz BVGPHEDZFZBTKT-OAQYLSRUSA-N 2 1 395.547 4.129 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356922 823048899 /nfs/dbraw/zinc/04/88/99/823048899.db2.gz GSTVWWGNAIZDLL-GHTZIAJQSA-N 2 1 379.548 4.500 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356922 823048904 /nfs/dbraw/zinc/04/89/04/823048904.db2.gz GSTVWWGNAIZDLL-GHTZIAJQSA-N 2 1 379.548 4.500 20 0 GIADMP C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120822989 823071527 /nfs/dbraw/zinc/07/15/27/823071527.db2.gz VAOOFNWLFCWUSB-YKSBVNFPSA-N 2 1 381.564 4.115 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734153 823078328 /nfs/dbraw/zinc/07/83/28/823078328.db2.gz PNBZDNXWVUUYFL-IEBWSBKVSA-N 2 1 378.442 4.175 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734153 823078333 /nfs/dbraw/zinc/07/83/33/823078333.db2.gz PNBZDNXWVUUYFL-IEBWSBKVSA-N 2 1 378.442 4.175 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766963 823083751 /nfs/dbraw/zinc/08/37/51/823083751.db2.gz DPPZSQACVSAOQJ-NQIIRXRSSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766963 823083755 /nfs/dbraw/zinc/08/37/55/823083755.db2.gz DPPZSQACVSAOQJ-NQIIRXRSSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766963 823083760 /nfs/dbraw/zinc/08/37/60/823083760.db2.gz DPPZSQACVSAOQJ-NQIIRXRSSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766963 823083767 /nfs/dbraw/zinc/08/37/67/823083767.db2.gz DPPZSQACVSAOQJ-NQIIRXRSSA-N 2 1 378.545 4.092 20 0 GIADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000570818507 823091212 /nfs/dbraw/zinc/09/12/12/823091212.db2.gz CEBGDPWAQSEBEX-ZEQRLZLVSA-N 2 1 392.543 4.422 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863700 823098004 /nfs/dbraw/zinc/09/80/04/823098004.db2.gz YNZINQGVDAASJS-XMMPIXPASA-N 2 1 397.607 4.163 20 0 GIADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000187694400 823114763 /nfs/dbraw/zinc/11/47/63/823114763.db2.gz QHMNFBGKJGJBCZ-IRXDYDNUSA-N 2 1 384.524 4.088 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187745939 823124306 /nfs/dbraw/zinc/12/43/06/823124306.db2.gz HUBBZQJXURYSKJ-QGZVFWFLSA-N 2 1 396.535 4.399 20 0 GIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179176 /nfs/dbraw/zinc/17/91/76/823179176.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 2 1 381.568 4.365 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179181 /nfs/dbraw/zinc/17/91/81/823179181.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179184 /nfs/dbraw/zinc/17/91/84/823179184.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179189 /nfs/dbraw/zinc/17/91/89/823179189.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385511 823179507 /nfs/dbraw/zinc/17/95/07/823179507.db2.gz YPVVHGAPFWYXRX-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385511 823179510 /nfs/dbraw/zinc/17/95/10/823179510.db2.gz YPVVHGAPFWYXRX-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545046 823198391 /nfs/dbraw/zinc/19/83/91/823198391.db2.gz NURBCKLCEVIHIU-HNAYVOBHSA-N 2 1 386.458 4.127 20 0 GIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545042 823198451 /nfs/dbraw/zinc/19/84/51/823198451.db2.gz NURBCKLCEVIHIU-BEFAXECRSA-N 2 1 386.458 4.127 20 0 GIADMP CCc1nnc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523907 823211077 /nfs/dbraw/zinc/21/10/77/823211077.db2.gz AAERDKLTTXISDG-NRFANRHFSA-N 2 1 382.552 4.289 20 0 GIADMP CC1(C)C[N@@H+](Cc2cnc(C3CC3)nc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570705 823222656 /nfs/dbraw/zinc/22/26/56/823222656.db2.gz NIOFNMCGBXXUTA-QHCPKHFHSA-N 2 1 390.575 4.477 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459746228 823259531 /nfs/dbraw/zinc/25/95/31/823259531.db2.gz ZDBPWKSDVOLWAC-SFHVURJKSA-N 2 1 384.568 4.135 20 0 GIADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121941900 823281683 /nfs/dbraw/zinc/28/16/83/823281683.db2.gz LUHHHBSTTFPUCH-OAHLLOKOSA-N 2 1 385.474 4.277 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122076115 823302478 /nfs/dbraw/zinc/30/24/78/823302478.db2.gz FKQVKZCBCFRVMR-LJQANCHMSA-N 2 1 385.552 4.473 20 0 GIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314475 /nfs/dbraw/zinc/31/44/75/823314475.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314483 /nfs/dbraw/zinc/31/44/83/823314483.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314492 /nfs/dbraw/zinc/31/44/92/823314492.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314496 /nfs/dbraw/zinc/31/44/96/823314496.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 2 1 396.560 4.103 20 0 GIADMP CC[C@H](CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000572540558 823357511 /nfs/dbraw/zinc/35/75/11/823357511.db2.gz GDXNDQSCKMBSEW-OAQYLSRUSA-N 2 1 399.623 4.225 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2ccnc12 ZINC000572815136 823404647 /nfs/dbraw/zinc/40/46/47/823404647.db2.gz HGSFTXNIBLOGDZ-GHTZIAJQSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000572815136 823404648 /nfs/dbraw/zinc/40/46/48/823404648.db2.gz HGSFTXNIBLOGDZ-GHTZIAJQSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000572815136 823404650 /nfs/dbraw/zinc/40/46/50/823404650.db2.gz HGSFTXNIBLOGDZ-GHTZIAJQSA-N 2 1 391.519 4.160 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc3cccnc32)CC1 ZINC000177280811 823420001 /nfs/dbraw/zinc/42/00/01/823420001.db2.gz NEHLQYHIEGVOAJ-UHFFFAOYSA-N 2 1 376.342 4.304 20 0 GIADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058848519 823462027 /nfs/dbraw/zinc/46/20/27/823462027.db2.gz VNGVGSOXIWVAHF-HSZRJFAPSA-N 2 1 391.559 4.176 20 0 GIADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475754 823471294 /nfs/dbraw/zinc/47/12/94/823471294.db2.gz YJIACTFZVIZABQ-HYBUGGRVSA-N 2 1 391.559 4.065 20 0 GIADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475771 823471438 /nfs/dbraw/zinc/47/14/38/823471438.db2.gz YJIACTFZVIZABQ-GBXCKJPGSA-N 2 1 391.559 4.065 20 0 GIADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000123156884 823471637 /nfs/dbraw/zinc/47/16/37/823471637.db2.gz YHELWOUYKPHCOW-UHFFFAOYSA-N 2 1 393.575 4.270 20 0 GIADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177530004 823483749 /nfs/dbraw/zinc/48/37/49/823483749.db2.gz YJJPFKZRSDYGKF-NHCUHLMSSA-N 2 1 395.551 4.145 20 0 GIADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177530004 823483754 /nfs/dbraw/zinc/48/37/54/823483754.db2.gz YJJPFKZRSDYGKF-NHCUHLMSSA-N 2 1 395.551 4.145 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000177529957 823483675 /nfs/dbraw/zinc/48/36/75/823483675.db2.gz VWPIGLQKKBWNAS-HXUWFJFHSA-N 2 1 395.551 4.004 20 0 GIADMP Cc1cccc(Cl)c1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189955992 823517669 /nfs/dbraw/zinc/51/76/69/823517669.db2.gz IGYXYQGYLSVDIK-ROUUACIJSA-N 2 1 399.966 4.333 20 0 GIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2o1 ZINC000181733211 821967322 /nfs/dbraw/zinc/96/73/22/821967322.db2.gz HBEAQFPAUCRXFU-WMLDXEAASA-N 2 1 395.341 4.083 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000181736953 821969287 /nfs/dbraw/zinc/96/92/87/821969287.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000181736953 821969294 /nfs/dbraw/zinc/96/92/94/821969294.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736953 821969300 /nfs/dbraw/zinc/96/93/00/821969300.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736953 821969307 /nfs/dbraw/zinc/96/93/07/821969307.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 2 1 399.623 4.256 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000182230192 822157786 /nfs/dbraw/zinc/15/77/86/822157786.db2.gz PWGIKVMNENHITL-TZIWHRDSSA-N 2 1 386.536 4.109 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238948 822162132 /nfs/dbraw/zinc/16/21/32/822162132.db2.gz OYAPLSBAMUZKGM-OXJNMPFZSA-N 2 1 381.545 4.104 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263539 822176858 /nfs/dbraw/zinc/17/68/58/822176858.db2.gz OMYZGZXTYHIIQX-YJBOKZPZSA-N 2 1 378.438 4.123 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000182268089 822179166 /nfs/dbraw/zinc/17/91/66/822179166.db2.gz PCVAZMRDQDMRGA-ZWOKBUDYSA-N 2 1 395.572 4.145 20 0 GIADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182273393 822181925 /nfs/dbraw/zinc/18/19/25/822181925.db2.gz JSVMHYULUGLPLZ-BEFAXECRSA-N 2 1 387.593 4.166 20 0 GIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000177976610 822266164 /nfs/dbraw/zinc/26/61/64/822266164.db2.gz MHRJTUXZCHTCCD-INIZCTEOSA-N 2 1 388.943 4.082 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391607 822374549 /nfs/dbraw/zinc/37/45/49/822374549.db2.gz OKBFJAFWNOYOOV-QGZVFWFLSA-N 2 1 376.516 4.169 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839224 822376317 /nfs/dbraw/zinc/37/63/17/822376317.db2.gz RHNZEPAWSNTSNT-UXHICEINSA-N 3 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839224 822376321 /nfs/dbraw/zinc/37/63/21/822376321.db2.gz RHNZEPAWSNTSNT-UXHICEINSA-N 2 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839224 822376326 /nfs/dbraw/zinc/37/63/26/822376326.db2.gz RHNZEPAWSNTSNT-UXHICEINSA-N 2 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839285 822376346 /nfs/dbraw/zinc/37/63/46/822376346.db2.gz RHNZEPAWSNTSNT-VQTJNVASSA-N 3 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839285 822376350 /nfs/dbraw/zinc/37/63/50/822376350.db2.gz RHNZEPAWSNTSNT-VQTJNVASSA-N 2 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839285 822376356 /nfs/dbraw/zinc/37/63/56/822376356.db2.gz RHNZEPAWSNTSNT-VQTJNVASSA-N 2 1 375.601 4.308 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136515 822429069 /nfs/dbraw/zinc/42/90/69/822429069.db2.gz DNOKEXODFQVWNI-DLBZAZTESA-N 2 1 394.494 4.018 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000183151482 822431946 /nfs/dbraw/zinc/43/19/46/822431946.db2.gz KNAYQCZVQGNNSL-HNNXBMFYSA-N 2 1 382.895 4.432 20 0 GIADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183368646 822464524 /nfs/dbraw/zinc/46/45/24/822464524.db2.gz ICJKTADLDRVFBT-QHCPKHFHSA-N 2 1 379.479 4.040 20 0 GIADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388406 822475294 /nfs/dbraw/zinc/47/52/94/822475294.db2.gz WRFMKGUKSGPZLH-FQEVSTJZSA-N 2 1 394.563 4.264 20 0 GIADMP CCS[C@@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389198 822475531 /nfs/dbraw/zinc/47/55/31/822475531.db2.gz DPQXWABDKFLHLH-INIZCTEOSA-N 2 1 389.569 4.017 20 0 GIADMP CCS[C@@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389198 822475535 /nfs/dbraw/zinc/47/55/35/822475535.db2.gz DPQXWABDKFLHLH-INIZCTEOSA-N 2 1 389.569 4.017 20 0 GIADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1Cc1ccccc1 ZINC000179397334 822476856 /nfs/dbraw/zinc/47/68/56/822476856.db2.gz QHHIGFIBGSAYEU-UHFFFAOYSA-N 2 1 389.547 4.065 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1Cc1ccccc1 ZINC000179397334 822476857 /nfs/dbraw/zinc/47/68/57/822476857.db2.gz QHHIGFIBGSAYEU-UHFFFAOYSA-N 2 1 389.547 4.065 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435146 822482245 /nfs/dbraw/zinc/48/22/45/822482245.db2.gz FRFDIMGGWSMLTN-WJPUGNRLSA-N 2 1 383.565 4.141 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435146 822482246 /nfs/dbraw/zinc/48/22/46/822482246.db2.gz FRFDIMGGWSMLTN-WJPUGNRLSA-N 2 1 383.565 4.141 20 0 GIADMP COCC[N@@H+](C)CCCC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183636335 822504506 /nfs/dbraw/zinc/50/45/06/822504506.db2.gz LCXVDLCDSIRCKE-UHFFFAOYSA-N 2 1 393.519 4.041 20 0 GIADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183636335 822504509 /nfs/dbraw/zinc/50/45/09/822504509.db2.gz LCXVDLCDSIRCKE-UHFFFAOYSA-N 2 1 393.519 4.041 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183636335 822504512 /nfs/dbraw/zinc/50/45/12/822504512.db2.gz LCXVDLCDSIRCKE-UHFFFAOYSA-N 2 1 393.519 4.041 20 0 GIADMP Brc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000183705999 822514418 /nfs/dbraw/zinc/51/44/18/822514418.db2.gz RULUPIDXINHVFM-IHWFROFDSA-N 2 1 386.337 4.129 20 0 GIADMP Brc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000183705999 822514421 /nfs/dbraw/zinc/51/44/21/822514421.db2.gz RULUPIDXINHVFM-IHWFROFDSA-N 2 1 386.337 4.129 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083821 822575581 /nfs/dbraw/zinc/57/55/81/822575581.db2.gz OCOIIWWHVQGIEA-SIFCLUCFSA-N 2 1 384.395 4.276 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1)C1CCOCC1 ZINC000180088618 822612809 /nfs/dbraw/zinc/61/28/09/822612809.db2.gz SQBNBFFCRCJYIJ-RUZDIDTESA-N 2 1 394.559 4.417 20 0 GIADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OCc1cccnc1 ZINC000184331469 822616852 /nfs/dbraw/zinc/61/68/52/822616852.db2.gz GGSJZAVMUGNRQU-LJQANCHMSA-N 2 1 383.536 4.023 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC000180171434 822632036 /nfs/dbraw/zinc/63/20/36/822632036.db2.gz OZNUMBREQNRQID-SEJPIABJSA-N 2 1 387.568 4.158 20 0 GIADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180176218 822632797 /nfs/dbraw/zinc/63/27/97/822632797.db2.gz AQOWXUVQCNYKRG-BHIFYINESA-N 2 1 388.559 4.006 20 0 GIADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180466945 822687398 /nfs/dbraw/zinc/68/73/98/822687398.db2.gz UQROLVDVZLFPLQ-JOCHJYFZSA-N 2 1 389.946 4.186 20 0 GIADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455931823 822751939 /nfs/dbraw/zinc/75/19/39/822751939.db2.gz PUYXXOUAZJSSEF-JOCHJYFZSA-N 2 1 386.584 4.211 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185352633 822769972 /nfs/dbraw/zinc/76/99/72/822769972.db2.gz GFJBJPYMYSBMLI-AWEZNQCLSA-N 2 1 377.326 4.457 20 0 GIADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404721 822785602 /nfs/dbraw/zinc/78/56/02/822785602.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 2 1 385.939 4.123 20 0 GIADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404721 822785603 /nfs/dbraw/zinc/78/56/03/822785603.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 2 1 385.939 4.123 20 0 GIADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404721 822785605 /nfs/dbraw/zinc/78/56/05/822785605.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 2 1 385.939 4.123 20 0 GIADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424020 822788175 /nfs/dbraw/zinc/78/81/75/822788175.db2.gz SNBPCQHPRRIHRC-IBGZPJMESA-N 2 1 379.331 4.281 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000052209973 822793050 /nfs/dbraw/zinc/79/30/50/822793050.db2.gz OIVVWZCGYBFALG-UHFFFAOYSA-N 2 1 395.975 4.121 20 0 GIADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000174526087 822801093 /nfs/dbraw/zinc/80/10/93/822801093.db2.gz FJRYUAAHLVDCOK-RXVVDRJESA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526087 822801097 /nfs/dbraw/zinc/80/10/97/822801097.db2.gz FJRYUAAHLVDCOK-RXVVDRJESA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526087 822801102 /nfs/dbraw/zinc/80/11/02/822801102.db2.gz FJRYUAAHLVDCOK-RXVVDRJESA-N 2 1 386.584 4.398 20 0 GIADMP CC[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665172 822808113 /nfs/dbraw/zinc/80/81/13/822808113.db2.gz MLVMVUVRSVQBGT-CDXJDZJCSA-N 2 1 391.987 4.150 20 0 GIADMP CC[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665172 822808117 /nfs/dbraw/zinc/80/81/17/822808117.db2.gz MLVMVUVRSVQBGT-CDXJDZJCSA-N 2 1 391.987 4.150 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671329 822808597 /nfs/dbraw/zinc/80/85/97/822808597.db2.gz SGDXMUDCLGOCQW-AJYBTWMASA-N 2 1 389.609 4.043 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671329 822808601 /nfs/dbraw/zinc/80/86/01/822808601.db2.gz SGDXMUDCLGOCQW-AJYBTWMASA-N 2 1 389.609 4.043 20 0 GIADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174598978 822810273 /nfs/dbraw/zinc/81/02/73/822810273.db2.gz YDSPLASNTGUNBT-ZNXRZULTSA-N 2 1 376.907 4.078 20 0 GIADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174598978 822810276 /nfs/dbraw/zinc/81/02/76/822810276.db2.gz YDSPLASNTGUNBT-ZNXRZULTSA-N 2 1 376.907 4.078 20 0 GIADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174599883 822810326 /nfs/dbraw/zinc/81/03/26/822810326.db2.gz DBCQTIDCJZVASC-YQQQUEKLSA-N 2 1 390.934 4.137 20 0 GIADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174599883 822810328 /nfs/dbraw/zinc/81/03/28/822810328.db2.gz DBCQTIDCJZVASC-YQQQUEKLSA-N 2 1 390.934 4.137 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697247 822811045 /nfs/dbraw/zinc/81/10/45/822811045.db2.gz ILCKMSXDXOZIEL-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697247 822811047 /nfs/dbraw/zinc/81/10/47/822811047.db2.gz ILCKMSXDXOZIEL-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728395 822815191 /nfs/dbraw/zinc/81/51/91/822815191.db2.gz WGVVLCQBGWVMLZ-VQIMIIECSA-N 2 1 380.532 4.024 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728395 822815195 /nfs/dbraw/zinc/81/51/95/822815195.db2.gz WGVVLCQBGWVMLZ-VQIMIIECSA-N 2 1 380.532 4.024 20 0 GIADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753599 822817874 /nfs/dbraw/zinc/81/78/74/822817874.db2.gz KWWPOQUDYRLKCO-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753599 822817877 /nfs/dbraw/zinc/81/78/77/822817877.db2.gz KWWPOQUDYRLKCO-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3sccc3OC)CC2)cs1 ZINC000186160365 822857042 /nfs/dbraw/zinc/85/70/42/822857042.db2.gz VAMKJBFDFBTBEN-CQSZACIVSA-N 2 1 379.595 4.338 20 0 GIADMP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372426 822883675 /nfs/dbraw/zinc/88/36/75/822883675.db2.gz SHRDBEDQHUAWEC-SFHVURJKSA-N 2 1 386.561 4.395 20 0 GIADMP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372426 822883681 /nfs/dbraw/zinc/88/36/81/822883681.db2.gz SHRDBEDQHUAWEC-SFHVURJKSA-N 2 1 386.561 4.395 20 0 GIADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222744 823016623 /nfs/dbraw/zinc/01/66/23/823016623.db2.gz FIMNPAFRINZNLC-NRFANRHFSA-N 2 1 391.987 4.104 20 0 GIADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570279412 823021863 /nfs/dbraw/zinc/02/18/63/823021863.db2.gz DPVADTOERRSDOB-TYABSZSSSA-N 2 1 390.506 4.393 20 0 GIADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570279412 823021865 /nfs/dbraw/zinc/02/18/65/823021865.db2.gz DPVADTOERRSDOB-TYABSZSSSA-N 2 1 390.506 4.393 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564149 /nfs/dbraw/zinc/56/41/49/823564149.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564152 /nfs/dbraw/zinc/56/41/52/823564152.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564154 /nfs/dbraw/zinc/56/41/54/823564154.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 2 1 399.604 4.148 20 0 GIADMP C[C@@H]1C[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411423729 823572569 /nfs/dbraw/zinc/57/25/69/823572569.db2.gz YLQZAIMASBEDDV-YGOYIFOWSA-N 2 1 397.994 4.387 20 0 GIADMP C[C@@H]1C[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411423729 823572570 /nfs/dbraw/zinc/57/25/70/823572570.db2.gz YLQZAIMASBEDDV-YGOYIFOWSA-N 2 1 397.994 4.387 20 0 GIADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000411438959 823574237 /nfs/dbraw/zinc/57/42/37/823574237.db2.gz DDLBNDRGRSPAQP-UHFFFAOYSA-N 2 1 377.532 4.242 20 0 GIADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000411438959 823574241 /nfs/dbraw/zinc/57/42/41/823574241.db2.gz DDLBNDRGRSPAQP-UHFFFAOYSA-N 2 1 377.532 4.242 20 0 GIADMP CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000411473841 823578942 /nfs/dbraw/zinc/57/89/42/823578942.db2.gz KRVLPPVRSJAFSR-QGZVFWFLSA-N 2 1 392.503 4.259 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512209 823582729 /nfs/dbraw/zinc/58/27/29/823582729.db2.gz APIIFRVKQLFXCE-GJZGRUSLSA-N 2 1 381.923 4.050 20 0 GIADMP CCOC1CC2(C1)CC[NH+](CCC(C)CC[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000411726050 823600433 /nfs/dbraw/zinc/60/04/33/823600433.db2.gz IXEPJAUCRFZZJG-UHFFFAOYSA-N 2 1 392.628 4.185 20 0 GIADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411755138 823602580 /nfs/dbraw/zinc/60/25/80/823602580.db2.gz RFFVJLQYNDZXQH-FQEVSTJZSA-N 2 1 398.378 4.023 20 0 GIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000062427097 823635195 /nfs/dbraw/zinc/63/51/95/823635195.db2.gz JWYGRGJKQMBLEY-IBGZPJMESA-N 2 1 378.520 4.261 20 0 GIADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473643 823644037 /nfs/dbraw/zinc/64/40/37/823644037.db2.gz VDTRNRIEMBMKTE-PKTZIBPZSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000461473643 823644041 /nfs/dbraw/zinc/64/40/41/823644041.db2.gz VDTRNRIEMBMKTE-PKTZIBPZSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000461473643 823644045 /nfs/dbraw/zinc/64/40/45/823644045.db2.gz VDTRNRIEMBMKTE-PKTZIBPZSA-N 2 1 397.607 4.060 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224107 823660746 /nfs/dbraw/zinc/66/07/46/823660746.db2.gz SSACIBHJHGAAGI-CEXWTWQISA-N 2 1 398.595 4.407 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464223 823678195 /nfs/dbraw/zinc/67/81/95/823678195.db2.gz VMRTXJKZVKTJKR-SBUREZEXSA-N 2 1 379.504 4.352 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000191516787 823694404 /nfs/dbraw/zinc/69/44/04/823694404.db2.gz BIWFRLMKSOVMPY-LJQANCHMSA-N 2 1 392.547 4.188 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000191516787 823694405 /nfs/dbraw/zinc/69/44/05/823694405.db2.gz BIWFRLMKSOVMPY-LJQANCHMSA-N 2 1 392.547 4.188 20 0 GIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000063917576 823711552 /nfs/dbraw/zinc/71/15/52/823711552.db2.gz OXAULOFKAWDMPP-HXUWFJFHSA-N 2 1 394.588 4.481 20 0 GIADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163769144 823746450 /nfs/dbraw/zinc/74/64/50/823746450.db2.gz LNUOHKUAMIFHRZ-UHFFFAOYSA-N 2 1 399.623 4.259 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517678 823754245 /nfs/dbraw/zinc/75/42/45/823754245.db2.gz HQIAWIIEPUPDOD-XMMPIXPASA-N 2 1 394.559 4.136 20 0 GIADMP CCOc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000163888250 823757692 /nfs/dbraw/zinc/75/76/92/823757692.db2.gz LZGNGLFFEORNLK-UHFFFAOYSA-N 2 1 381.520 4.237 20 0 GIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994569 823762474 /nfs/dbraw/zinc/76/24/74/823762474.db2.gz VUBPXHAJBRHZEU-RBUKOAKNSA-N 2 1 392.609 4.174 20 0 GIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994569 823762481 /nfs/dbraw/zinc/76/24/81/823762481.db2.gz VUBPXHAJBRHZEU-RBUKOAKNSA-N 2 1 392.609 4.174 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000163943901 823763703 /nfs/dbraw/zinc/76/37/03/823763703.db2.gz YGUHIURFYOOCSE-LEWJYISDSA-N 2 1 396.575 4.458 20 0 GIADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000164496813 823805376 /nfs/dbraw/zinc/80/53/76/823805376.db2.gz PZZJDZJQIKNLMW-SFHVURJKSA-N 2 1 392.609 4.318 20 0 GIADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000164586418 823810328 /nfs/dbraw/zinc/81/03/28/823810328.db2.gz SKZYKISFKCWPFK-YDHSSHFGSA-N 2 1 379.548 4.013 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000164602796 823811716 /nfs/dbraw/zinc/81/17/16/823811716.db2.gz NPHPNVRNKLNYRB-CVDCTZTESA-N 2 1 379.548 4.015 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000164628717 823813218 /nfs/dbraw/zinc/81/32/18/823813218.db2.gz ZSNRXCAQPXPAKH-KRWDZBQOSA-N 2 1 378.314 4.238 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164956065 823826815 /nfs/dbraw/zinc/82/68/15/823826815.db2.gz XOAMNLCGMIZCHZ-CDXJDZJCSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164956065 823826819 /nfs/dbraw/zinc/82/68/19/823826819.db2.gz XOAMNLCGMIZCHZ-CDXJDZJCSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330812 823843814 /nfs/dbraw/zinc/84/38/14/823843814.db2.gz ZEZXGAGIVZCJPD-XUZZJYLKSA-N 2 1 388.559 4.147 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330812 823843825 /nfs/dbraw/zinc/84/38/25/823843825.db2.gz ZEZXGAGIVZCJPD-XUZZJYLKSA-N 2 1 388.559 4.147 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330692 823844093 /nfs/dbraw/zinc/84/40/93/823844093.db2.gz ZEZXGAGIVZCJPD-QPPBQGQZSA-N 2 1 388.559 4.147 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330692 823844097 /nfs/dbraw/zinc/84/40/97/823844097.db2.gz ZEZXGAGIVZCJPD-QPPBQGQZSA-N 2 1 388.559 4.147 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901227 823898433 /nfs/dbraw/zinc/89/84/33/823898433.db2.gz INUKPIAQBCHXIR-FOIQADDNSA-N 2 1 384.395 4.278 20 0 GIADMP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000575066623 823903318 /nfs/dbraw/zinc/90/33/18/823903318.db2.gz ZZXMUHDFBBAMJS-QFIPXVFZSA-N 2 1 397.588 4.085 20 0 GIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126718902 823934752 /nfs/dbraw/zinc/93/47/52/823934752.db2.gz DGYKYBGKTNUOJD-HXUWFJFHSA-N 2 1 381.564 4.072 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126790796 823951951 /nfs/dbraw/zinc/95/19/51/823951951.db2.gz ZSIBZASLDKMAAW-ROUUACIJSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126790796 823951954 /nfs/dbraw/zinc/95/19/54/823951954.db2.gz ZSIBZASLDKMAAW-ROUUACIJSA-N 2 1 399.560 4.268 20 0 GIADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000126806635 823956181 /nfs/dbraw/zinc/95/61/81/823956181.db2.gz PJVJKYJAKPGHEP-MOPGFXCFSA-N 2 1 388.577 4.336 20 0 GIADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000126806635 823956187 /nfs/dbraw/zinc/95/61/87/823956187.db2.gz PJVJKYJAKPGHEP-MOPGFXCFSA-N 2 1 388.577 4.336 20 0 GIADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342627 823961788 /nfs/dbraw/zinc/96/17/88/823961788.db2.gz ITUBULANWGMBDZ-HIGZBPRKSA-N 2 1 379.523 4.190 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000414709350 824025529 /nfs/dbraw/zinc/02/55/29/824025529.db2.gz JUDRGQJGCOHERC-UHFFFAOYSA-N 2 1 384.568 4.059 20 0 GIADMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682037 823071598 /nfs/dbraw/zinc/07/15/98/823071598.db2.gz ORUJEVLJLBSLED-WOJBJXKFSA-N 2 1 384.951 4.203 20 0 GIADMP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682037 823071602 /nfs/dbraw/zinc/07/16/02/823071602.db2.gz ORUJEVLJLBSLED-WOJBJXKFSA-N 2 1 384.951 4.203 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000570766965 823083864 /nfs/dbraw/zinc/08/38/64/823083864.db2.gz DPPZSQACVSAOQJ-WIYYLYMNSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000570766965 823083870 /nfs/dbraw/zinc/08/38/70/823083870.db2.gz DPPZSQACVSAOQJ-WIYYLYMNSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000570766965 823083876 /nfs/dbraw/zinc/08/38/76/823083876.db2.gz DPPZSQACVSAOQJ-WIYYLYMNSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000570766965 823083879 /nfs/dbraw/zinc/08/38/79/823083879.db2.gz DPPZSQACVSAOQJ-WIYYLYMNSA-N 2 1 378.545 4.092 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056495158 823159135 /nfs/dbraw/zinc/15/91/35/823159135.db2.gz WTHCWDXMQQBWAC-UHFFFAOYSA-N 2 1 385.596 4.257 20 0 GIADMP COc1cccc(C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C2CC2)c1 ZINC000121340753 823166183 /nfs/dbraw/zinc/16/61/83/823166183.db2.gz DZKPILHZCXKCBK-HSZRJFAPSA-N 2 1 397.563 4.123 20 0 GIADMP COc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000571382864 823175518 /nfs/dbraw/zinc/17/55/18/823175518.db2.gz GJFAVIAHWRWFPC-UHFFFAOYSA-N 2 1 385.939 4.232 20 0 GIADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000571382864 823175522 /nfs/dbraw/zinc/17/55/22/823175522.db2.gz GJFAVIAHWRWFPC-UHFFFAOYSA-N 2 1 385.939 4.232 20 0 GIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176897 /nfs/dbraw/zinc/17/68/97/823176897.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176901 /nfs/dbraw/zinc/17/69/01/823176901.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176903 /nfs/dbraw/zinc/17/69/03/823176903.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176907 /nfs/dbraw/zinc/17/69/07/823176907.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 2 1 381.568 4.224 20 0 GIADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459396673 823182846 /nfs/dbraw/zinc/18/28/46/823182846.db2.gz CPJAFXFRUCBUSD-GFCCVEGCSA-N 2 1 391.338 4.199 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)cn1 ZINC000188134451 823191662 /nfs/dbraw/zinc/19/16/62/823191662.db2.gz OGWKAYIZQQOFDR-AWEZNQCLSA-N 2 1 385.309 4.059 20 0 GIADMP CC(C)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471461 823199221 /nfs/dbraw/zinc/19/92/21/823199221.db2.gz TZLSLNKGXBACDU-SFTDATJTSA-N 2 1 379.951 4.219 20 0 GIADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555506 823219441 /nfs/dbraw/zinc/21/94/41/823219441.db2.gz GCBMPJMAJGKKNE-UHFFFAOYSA-N 2 1 381.568 4.368 20 0 GIADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555506 823219443 /nfs/dbraw/zinc/21/94/43/823219443.db2.gz GCBMPJMAJGKKNE-UHFFFAOYSA-N 2 1 381.568 4.368 20 0 GIADMP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000571755339 823230540 /nfs/dbraw/zinc/23/05/40/823230540.db2.gz YIJZJXCPSVUBFP-KRWDZBQOSA-N 2 1 382.339 4.065 20 0 GIADMP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000571755340 823230685 /nfs/dbraw/zinc/23/06/85/823230685.db2.gz YIJZJXCPSVUBFP-QGZVFWFLSA-N 2 1 382.339 4.065 20 0 GIADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C2CCC2)c1 ZINC000409804003 823311727 /nfs/dbraw/zinc/31/17/27/823311727.db2.gz LEQXYPBDIVLIHS-UHFFFAOYSA-N 2 1 397.607 4.222 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000572364799 823327946 /nfs/dbraw/zinc/32/79/46/823327946.db2.gz QMOIXXWLSMMBES-QXUYBEEESA-N 2 1 377.532 4.042 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000572364799 823327950 /nfs/dbraw/zinc/32/79/50/823327950.db2.gz QMOIXXWLSMMBES-QXUYBEEESA-N 2 1 377.532 4.042 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460282142 823339177 /nfs/dbraw/zinc/33/91/77/823339177.db2.gz OTJCKBKVHKNBOD-HXUWFJFHSA-N 2 1 377.617 4.002 20 0 GIADMP c1c(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000022820790 818864215 /nfs/dbraw/zinc/86/42/15/818864215.db2.gz YCBLFLYSIJODPE-UHFFFAOYSA-N 2 1 386.543 4.315 20 0 GIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767507 823395482 /nfs/dbraw/zinc/39/54/82/823395482.db2.gz OAZCCKBWYNKGIS-MAUKXSAKSA-N 2 1 378.438 4.411 20 0 GIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572767507 823395487 /nfs/dbraw/zinc/39/54/87/823395487.db2.gz OAZCCKBWYNKGIS-MAUKXSAKSA-N 2 1 378.438 4.411 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2ccnc12 ZINC000572815138 823404607 /nfs/dbraw/zinc/40/46/07/823404607.db2.gz HGSFTXNIBLOGDZ-RXVVDRJESA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000572815138 823404610 /nfs/dbraw/zinc/40/46/10/823404610.db2.gz HGSFTXNIBLOGDZ-RXVVDRJESA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000572815138 823404612 /nfs/dbraw/zinc/40/46/12/823404612.db2.gz HGSFTXNIBLOGDZ-RXVVDRJESA-N 2 1 391.519 4.160 20 0 GIADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000573096739 823446762 /nfs/dbraw/zinc/44/67/62/823446762.db2.gz DTILYSDILUZQQB-KXTRFFEISA-N 2 1 383.555 4.461 20 0 GIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000123104678 823463040 /nfs/dbraw/zinc/46/30/40/823463040.db2.gz JWYDKMSDBJUKGB-OAHLLOKOSA-N 2 1 385.943 4.132 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000410345913 823468688 /nfs/dbraw/zinc/46/86/88/823468688.db2.gz TULBBYSUZMINOX-IBGZPJMESA-N 2 1 394.563 4.444 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484264 823473412 /nfs/dbraw/zinc/47/34/12/823473412.db2.gz LMFBUTSKFRMANC-IRXDYDNUSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000028899381 820370085 /nfs/dbraw/zinc/37/00/85/820370085.db2.gz JQFBJCSEJFVQHB-INIZCTEOSA-N 2 1 387.474 4.068 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505419 823479065 /nfs/dbraw/zinc/47/90/65/823479065.db2.gz OBFSITVWJHMCRF-IRXDYDNUSA-N 2 1 389.565 4.114 20 0 GIADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529863 823483711 /nfs/dbraw/zinc/48/37/11/823483711.db2.gz ZUQUESCJFFPGIN-HXUWFJFHSA-N 2 1 397.567 4.250 20 0 GIADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529863 823483714 /nfs/dbraw/zinc/48/37/14/823483714.db2.gz ZUQUESCJFFPGIN-HXUWFJFHSA-N 2 1 397.567 4.250 20 0 GIADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123454008 823510603 /nfs/dbraw/zinc/51/06/03/823510603.db2.gz IYCMDLXPPNHJIL-MNEFBYGVSA-N 2 1 399.501 4.029 20 0 GIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368358 823520485 /nfs/dbraw/zinc/52/04/85/823520485.db2.gz LMKAVXWHTZTIHW-CALCHBBNSA-N 2 1 387.955 4.209 20 0 GIADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107399 821636559 /nfs/dbraw/zinc/63/65/59/821636559.db2.gz GZIXATZYVGWYOH-FQEVSTJZSA-N 2 1 393.358 4.324 20 0 GIADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000181411695 821811911 /nfs/dbraw/zinc/81/19/11/821811911.db2.gz XBLBCFAIWNGCCF-ACRUOGEOSA-N 2 1 392.971 4.220 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258224 822172871 /nfs/dbraw/zinc/17/28/71/822172871.db2.gz GUQRGNQUAYMHQF-LOSJGSFVSA-N 2 1 390.502 4.272 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268456 822180006 /nfs/dbraw/zinc/18/00/06/822180006.db2.gz TVDKXXPGKKXLKN-QRWLVFNGSA-N 2 1 378.438 4.123 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000182270138 822180499 /nfs/dbraw/zinc/18/04/99/822180499.db2.gz JYKFUYLOTOUOHA-ZEQRLZLVSA-N 2 1 382.523 4.413 20 0 GIADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000182686484 822350982 /nfs/dbraw/zinc/35/09/82/822350982.db2.gz SETGNDXUZRMOGX-HXUWFJFHSA-N 2 1 387.568 4.030 20 0 GIADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178239870 822357483 /nfs/dbraw/zinc/35/74/83/822357483.db2.gz PSCQOKNVEAPHRC-QRWLVFNGSA-N 2 1 391.437 4.099 20 0 GIADMP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000182888098 822386584 /nfs/dbraw/zinc/38/65/84/822386584.db2.gz MPRXYJPGPKFYGR-QGZVFWFLSA-N 2 1 381.307 4.073 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178694972 822403375 /nfs/dbraw/zinc/40/33/75/822403375.db2.gz NZZQMDNIRMAWPR-AWEZNQCLSA-N 2 1 378.442 4.432 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000183140681 822429975 /nfs/dbraw/zinc/42/99/75/822429975.db2.gz SBBCZNZDLRBUGI-SFHVURJKSA-N 2 1 388.515 4.023 20 0 GIADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183145425 822430754 /nfs/dbraw/zinc/43/07/54/822430754.db2.gz MZFPPMJOVKPNIY-CQSZACIVSA-N 2 1 398.894 4.132 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145510 822431010 /nfs/dbraw/zinc/43/10/10/822431010.db2.gz NASRTQDREJRUMZ-ZIAGYGMSSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000183150152 822431677 /nfs/dbraw/zinc/43/16/77/822431677.db2.gz FCALXBWBERGXRI-OAHLLOKOSA-N 2 1 382.895 4.432 20 0 GIADMP Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)c1C ZINC000183157107 822433086 /nfs/dbraw/zinc/43/30/86/822433086.db2.gz QFUCJOPSNOSBPA-OAHLLOKOSA-N 2 1 382.533 4.457 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007945 822433802 /nfs/dbraw/zinc/43/38/02/822433802.db2.gz JUEBRGJROSXLKH-IBGZPJMESA-N 2 1 394.563 4.444 20 0 GIADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000179287935 822461228 /nfs/dbraw/zinc/46/12/28/822461228.db2.gz SPMGKTKUKZVZMC-UHFFFAOYSA-N 2 1 380.580 4.193 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(-c2ccccn2)n1 ZINC000179390050 822475734 /nfs/dbraw/zinc/47/57/34/822475734.db2.gz FPYYMNTWCOJZEC-UHFFFAOYSA-N 2 1 393.560 4.339 20 0 GIADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000179509692 822493486 /nfs/dbraw/zinc/49/34/86/822493486.db2.gz FTKGYXMGWKTYIY-LBPRGKRZSA-N 2 1 386.298 4.319 20 0 GIADMP COC[C@H](Cc1ccccc1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955811 822585273 /nfs/dbraw/zinc/58/52/73/822585273.db2.gz WSVWJGBTLLHOGR-QHCPKHFHSA-N 2 1 381.564 4.134 20 0 GIADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180019587 822597959 /nfs/dbraw/zinc/59/79/59/822597959.db2.gz IYQSJJJYWRYAIA-QHCPKHFHSA-N 2 1 378.495 4.034 20 0 GIADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509364 822647670 /nfs/dbraw/zinc/64/76/70/822647670.db2.gz QODXZUBUPUWBPQ-MOPGFXCFSA-N 2 1 392.609 4.318 20 0 GIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298783 822659008 /nfs/dbraw/zinc/65/90/08/822659008.db2.gz OOEUGPKCNOSBLH-QHCPKHFHSA-N 2 1 380.511 4.279 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298783 822659011 /nfs/dbraw/zinc/65/90/11/822659011.db2.gz OOEUGPKCNOSBLH-QHCPKHFHSA-N 2 1 380.511 4.279 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180416129 822678067 /nfs/dbraw/zinc/67/80/67/822678067.db2.gz QPVQKURNJRDEKT-QGZVFWFLSA-N 2 1 392.609 4.316 20 0 GIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745016 822680737 /nfs/dbraw/zinc/68/07/37/822680737.db2.gz NBJTVHRLIFCRNV-GOSISDBHSA-N 2 1 378.495 4.110 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000048750377 822681426 /nfs/dbraw/zinc/68/14/26/822681426.db2.gz VNXVJCVLUXGJHA-UHFFFAOYSA-N 2 1 382.895 4.277 20 0 GIADMP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575787 822705062 /nfs/dbraw/zinc/70/50/62/822705062.db2.gz HCTQHHHXWBCKCM-SQJMNOBHSA-N 2 1 378.560 4.483 20 0 GIADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000185165174 822744815 /nfs/dbraw/zinc/74/48/15/822744815.db2.gz CTMCGJVFZZGONQ-UHFFFAOYSA-N 2 1 393.453 4.004 20 0 GIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942359 822754428 /nfs/dbraw/zinc/75/44/28/822754428.db2.gz VDEWURGFHZGDIX-FRGLQRNOSA-N 2 1 392.547 4.193 20 0 GIADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784297 /nfs/dbraw/zinc/78/42/97/822784297.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784298 /nfs/dbraw/zinc/78/42/98/822784298.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784303 /nfs/dbraw/zinc/78/43/03/822784303.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784305 /nfs/dbraw/zinc/78/43/05/822784305.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 2 1 390.474 4.251 20 0 GIADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc2ccccc21 ZINC000185689507 822810396 /nfs/dbraw/zinc/81/03/96/822810396.db2.gz VTHWXEWVZRWYBK-IRFCIJBXSA-N 2 1 393.575 4.260 20 0 GIADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc2ccccc21 ZINC000185689507 822810398 /nfs/dbraw/zinc/81/03/98/822810398.db2.gz VTHWXEWVZRWYBK-IRFCIJBXSA-N 2 1 393.575 4.260 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710709 822812893 /nfs/dbraw/zinc/81/28/93/822812893.db2.gz HYFUIJISXNUJCA-IRXDYDNUSA-N 2 1 377.960 4.138 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710709 822812895 /nfs/dbraw/zinc/81/28/95/822812895.db2.gz HYFUIJISXNUJCA-IRXDYDNUSA-N 2 1 377.960 4.138 20 0 GIADMP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC(C)C ZINC000185725328 822814852 /nfs/dbraw/zinc/81/48/52/822814852.db2.gz DVZAVTSPSCPIFH-XMMPIXPASA-N 2 1 382.548 4.416 20 0 GIADMP C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728416 822815278 /nfs/dbraw/zinc/81/52/78/822815278.db2.gz WGVVLCQBGWVMLZ-LPHOPBHVSA-N 2 1 380.532 4.024 20 0 GIADMP C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728416 822815279 /nfs/dbraw/zinc/81/52/79/822815279.db2.gz WGVVLCQBGWVMLZ-LPHOPBHVSA-N 2 1 380.532 4.024 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836350 /nfs/dbraw/zinc/83/63/50/822836350.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 2 1 379.548 4.344 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836354 /nfs/dbraw/zinc/83/63/54/822836354.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 2 1 379.548 4.344 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836358 /nfs/dbraw/zinc/83/63/58/822836358.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 2 1 379.548 4.344 20 0 GIADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888396 /nfs/dbraw/zinc/88/83/96/822888396.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888401 /nfs/dbraw/zinc/88/84/01/822888401.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888404 /nfs/dbraw/zinc/88/84/04/822888404.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888408 /nfs/dbraw/zinc/88/84/08/822888408.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 2 1 392.543 4.430 20 0 GIADMP COc1cncc(/C=C\CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689994 822955813 /nfs/dbraw/zinc/95/58/13/822955813.db2.gz CZHXFBMIZQSDHJ-RRZSJFKKSA-N 2 1 379.548 4.384 20 0 GIADMP COc1cncc(/C=C\CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689994 822955815 /nfs/dbraw/zinc/95/58/15/822955815.db2.gz CZHXFBMIZQSDHJ-RRZSJFKKSA-N 2 1 379.548 4.384 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186949603 822985121 /nfs/dbraw/zinc/98/51/21/822985121.db2.gz IJZGEAHGHZCXGQ-CQSZACIVSA-N 2 1 392.316 4.430 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187125718 823014486 /nfs/dbraw/zinc/01/44/86/823014486.db2.gz NGINAWIRUCBPCC-LJQANCHMSA-N 2 1 391.559 4.260 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353870 823028252 /nfs/dbraw/zinc/02/82/52/823028252.db2.gz DLPQUEQYLQCGLV-CDXJDZJCSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353870 823028255 /nfs/dbraw/zinc/02/82/55/823028255.db2.gz DLPQUEQYLQCGLV-CDXJDZJCSA-N 2 1 381.549 4.063 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977424 823557482 /nfs/dbraw/zinc/55/74/82/823557482.db2.gz CQPVOEOYVVJKHY-IBGZPJMESA-N 2 1 392.547 4.243 20 0 GIADMP C[C@@H](CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000411507465 823582290 /nfs/dbraw/zinc/58/22/90/823582290.db2.gz ZRDODXMAFWLGCB-LQLSTCSOSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@H](CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000411507465 823582294 /nfs/dbraw/zinc/58/22/94/823582294.db2.gz ZRDODXMAFWLGCB-LQLSTCSOSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@H](CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000411507465 823582295 /nfs/dbraw/zinc/58/22/95/823582295.db2.gz ZRDODXMAFWLGCB-LQLSTCSOSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512205 823582845 /nfs/dbraw/zinc/58/28/45/823582845.db2.gz APIIFRVKQLFXCE-CABCVRRESA-N 2 1 381.923 4.050 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518419 823583702 /nfs/dbraw/zinc/58/37/02/823583702.db2.gz PGROBFCFGCTJJD-HOTGVXAUSA-N 2 1 397.485 4.277 20 0 GIADMP C[C@H](CC[NH+]1CCCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719334 823599704 /nfs/dbraw/zinc/59/97/04/823599704.db2.gz NMKCPJVZMVFGEO-FJPGZJACSA-N 2 1 384.572 4.303 20 0 GIADMP C[C@@H](CC[NH+]1CCCC[C@@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719334 823599708 /nfs/dbraw/zinc/59/97/08/823599708.db2.gz NMKCPJVZMVFGEO-FJPGZJACSA-N 2 1 384.572 4.303 20 0 GIADMP C[C@@H](CC[NH+]1CCCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719334 823599713 /nfs/dbraw/zinc/59/97/13/823599713.db2.gz NMKCPJVZMVFGEO-FJPGZJACSA-N 2 1 384.572 4.303 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000061558284 823603805 /nfs/dbraw/zinc/60/38/05/823603805.db2.gz FAZTUAZHTIZVDQ-UHFFFAOYSA-N 2 1 388.987 4.413 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000124579566 823608205 /nfs/dbraw/zinc/60/82/05/823608205.db2.gz HRPXGDZEFRKCCJ-KSZLIROESA-N 2 1 386.511 4.294 20 0 GIADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000062426533 823634892 /nfs/dbraw/zinc/63/48/92/823634892.db2.gz KUFUSHMAZCQRLZ-JOCHJYFZSA-N 2 1 382.548 4.486 20 0 GIADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000062426591 823634909 /nfs/dbraw/zinc/63/49/09/823634909.db2.gz RSRWQIFOWVRUNV-JOCHJYFZSA-N 2 1 382.548 4.486 20 0 GIADMP c1csc(C[NH+]2CCC(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000125464019 823678200 /nfs/dbraw/zinc/67/82/00/823678200.db2.gz HYQVEBBVCHERJW-UHFFFAOYSA-N 3 1 397.632 4.257 20 0 GIADMP Fc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451574 823733761 /nfs/dbraw/zinc/73/37/61/823733761.db2.gz BAHUUMYOVRANFT-QFIPXVFZSA-N 2 1 396.506 4.022 20 0 GIADMP Fc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451574 823733766 /nfs/dbraw/zinc/73/37/66/823733766.db2.gz BAHUUMYOVRANFT-QFIPXVFZSA-N 2 1 396.506 4.022 20 0 GIADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163955057 823765561 /nfs/dbraw/zinc/76/55/61/823765561.db2.gz LTVJYUYIOMHTFP-UQBPGWFLSA-N 2 1 394.559 4.199 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164978117 823827980 /nfs/dbraw/zinc/82/79/80/823827980.db2.gz OIWFQZYYISMIDT-CDXJDZJCSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164978117 823827987 /nfs/dbraw/zinc/82/79/87/823827987.db2.gz OIWFQZYYISMIDT-CDXJDZJCSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012524 823829774 /nfs/dbraw/zinc/82/97/74/823829774.db2.gz ANBFDSPWNYASPR-MDKPJZGXSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012524 823829781 /nfs/dbraw/zinc/82/97/81/823829781.db2.gz ANBFDSPWNYASPR-MDKPJZGXSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561932 823853815 /nfs/dbraw/zinc/85/38/15/823853815.db2.gz WAUMJAWNJRGPNS-OHUGHZGNSA-N 2 1 388.559 4.417 20 0 GIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)CCO1 ZINC000166303497 823874596 /nfs/dbraw/zinc/87/45/96/823874596.db2.gz WDUNMPRCLQYHQX-PBXXJUDPSA-N 2 1 394.559 4.165 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)CCO1 ZINC000166303497 823874608 /nfs/dbraw/zinc/87/46/08/823874608.db2.gz WDUNMPRCLQYHQX-PBXXJUDPSA-N 2 1 394.559 4.165 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664268 823880740 /nfs/dbraw/zinc/88/07/40/823880740.db2.gz CMAVNFFMHIOZTL-LSDHHAIUSA-N 2 1 397.910 4.297 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059449 823897769 /nfs/dbraw/zinc/89/77/69/823897769.db2.gz IPRVNMHVOAKTAF-UNMCSNQZSA-N 2 1 378.004 4.374 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)oc1C ZINC000168307139 823901843 /nfs/dbraw/zinc/90/18/43/823901843.db2.gz QGQBIQHPJDFVHH-UHFFFAOYSA-N 2 1 397.441 4.034 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C(C)C ZINC000126601787 823909088 /nfs/dbraw/zinc/90/90/88/823909088.db2.gz UHAXZFHRWGNSJW-FYYLOGMGSA-N 2 1 383.580 4.006 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(C)C ZINC000126601787 823909093 /nfs/dbraw/zinc/90/90/93/823909093.db2.gz UHAXZFHRWGNSJW-FYYLOGMGSA-N 2 1 383.580 4.006 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(C)C ZINC000126601787 823909101 /nfs/dbraw/zinc/90/91/01/823909101.db2.gz UHAXZFHRWGNSJW-FYYLOGMGSA-N 2 1 383.580 4.006 20 0 GIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414171947 823922924 /nfs/dbraw/zinc/92/29/24/823922924.db2.gz DNHOFFKPFXAEKV-JXFKEZNVSA-N 2 1 395.385 4.238 20 0 GIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)cc1 ZINC000575792051 823997736 /nfs/dbraw/zinc/99/77/36/823997736.db2.gz UQZMMTXNEZKQDE-RPWUZVMVSA-N 2 1 382.523 4.343 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CCCCC1 ZINC000414702359 824024727 /nfs/dbraw/zinc/02/47/27/824024727.db2.gz BBGVMGIQPZLILE-WGSAOQKQSA-N 2 1 386.584 4.338 20 0 GIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1C ZINC001164420740 718910765 /nfs/dbraw/zinc/91/07/65/718910765.db2.gz MCEZWLLSYCSRBN-UHFFFAOYSA-N 2 1 399.608 4.016 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1 ZINC001164627497 719048918 /nfs/dbraw/zinc/04/89/18/719048918.db2.gz VKULXEOAEPNDCW-JBRSBNLGSA-N 2 1 390.575 4.212 20 0 GIADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(OC(C)C)cc[nH+]2)CC3)cs1 ZINC001164693106 719809847 /nfs/dbraw/zinc/80/98/47/719809847.db2.gz QHCDTQVXCHQVGI-UHFFFAOYSA-N 2 1 386.565 4.269 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735079 720450908 /nfs/dbraw/zinc/45/09/08/720450908.db2.gz VSVMASNQPBHMKA-PKTZIBPZSA-N 2 1 399.542 4.083 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735079 720450910 /nfs/dbraw/zinc/45/09/10/720450910.db2.gz VSVMASNQPBHMKA-PKTZIBPZSA-N 2 1 399.542 4.083 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843157 720627432 /nfs/dbraw/zinc/62/74/32/720627432.db2.gz WZTABGTZKNPRJZ-BHIFYINESA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843157 720627455 /nfs/dbraw/zinc/62/74/55/720627455.db2.gz WZTABGTZKNPRJZ-BHIFYINESA-N 2 1 389.547 4.118 20 0 GIADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164791371 721493892 /nfs/dbraw/zinc/49/38/92/721493892.db2.gz BYPOXOJBDRMEMK-UHFFFAOYSA-N 2 1 376.548 4.236 20 0 GIADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164791371 721493894 /nfs/dbraw/zinc/49/38/94/721493894.db2.gz BYPOXOJBDRMEMK-UHFFFAOYSA-N 2 1 376.548 4.236 20 0 GIADMP Cc1[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905494 721720166 /nfs/dbraw/zinc/72/01/66/721720166.db2.gz GXTBWYSHHSKBGM-OAQYLSRUSA-N 2 1 397.473 4.004 20 0 GIADMP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165021590 721815101 /nfs/dbraw/zinc/81/51/01/721815101.db2.gz FBCCNKICEGEXNB-RBDMOPTHSA-N 2 1 375.520 4.003 20 0 GIADMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc2[nH]ccc21 ZINC001165026772 721821395 /nfs/dbraw/zinc/82/13/95/721821395.db2.gz QEPLTZAUTKVIKN-UCNVEGJOSA-N 2 1 375.520 4.003 20 0 GIADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2)cc1 ZINC001164938943 721927380 /nfs/dbraw/zinc/92/73/80/721927380.db2.gz CNFCTJPZDGMXJQ-UHFFFAOYSA-N 2 1 390.531 4.051 20 0 GIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165047075 721971888 /nfs/dbraw/zinc/97/18/88/721971888.db2.gz IKFVNWLLVJAWMD-IBGZPJMESA-N 2 1 376.976 4.176 20 0 GIADMP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000570592688 823059275 /nfs/dbraw/zinc/05/92/75/823059275.db2.gz GJTJRNOGCUZGPZ-XXTHSBEZSA-N 2 1 384.951 4.264 20 0 GIADMP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175911032 823070648 /nfs/dbraw/zinc/07/06/48/823070648.db2.gz KXUAPKCWUGGCNA-UHFFFAOYSA-N 2 1 399.604 4.005 20 0 GIADMP COc1ccc2oc([C@@H](C)[NH2+]Cc3ccncc3OCCC[NH+](C)C)c(C)c2c1 ZINC000570719831 823075576 /nfs/dbraw/zinc/07/55/76/823075576.db2.gz SSDVVSCACSLULU-QGZVFWFLSA-N 2 1 397.519 4.326 20 0 GIADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120860899 823078793 /nfs/dbraw/zinc/07/87/93/823078793.db2.gz ZQWCULKJTZZPLX-FQEVSTJZSA-N 2 1 397.563 4.127 20 0 GIADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000120860899 823078799 /nfs/dbraw/zinc/07/87/99/823078799.db2.gz ZQWCULKJTZZPLX-FQEVSTJZSA-N 2 1 397.563 4.127 20 0 GIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156226 823091531 /nfs/dbraw/zinc/09/15/31/823091531.db2.gz CBNKMAWIRDEROR-VQTJNVASSA-N 2 1 379.548 4.486 20 0 GIADMP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000056156181 823091711 /nfs/dbraw/zinc/09/17/11/823091711.db2.gz SIPVBDYJLFKMBF-OALUTQOASA-N 2 1 395.547 4.044 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000176186085 823147884 /nfs/dbraw/zinc/14/78/84/823147884.db2.gz YYJYUWKIVCVLKI-SFHVURJKSA-N 2 1 388.515 4.268 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccccc3F)CC2)cs1 ZINC000187998530 823169510 /nfs/dbraw/zinc/16/95/10/823169510.db2.gz DGNDMRPDPUAIKX-INIZCTEOSA-N 2 1 375.557 4.277 20 0 GIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009040 823171259 /nfs/dbraw/zinc/17/12/59/823171259.db2.gz MTPUYKLYEIVDJC-KBXCAEBGSA-N 2 1 379.913 4.482 20 0 GIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009040 823171262 /nfs/dbraw/zinc/17/12/62/823171262.db2.gz MTPUYKLYEIVDJC-KBXCAEBGSA-N 2 1 379.913 4.482 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176412 /nfs/dbraw/zinc/17/64/12/823176412.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176418 /nfs/dbraw/zinc/17/64/18/823176418.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176422 /nfs/dbraw/zinc/17/64/22/823176422.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 2 1 381.568 4.222 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176485 /nfs/dbraw/zinc/17/64/85/823176485.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176490 /nfs/dbraw/zinc/17/64/90/823176490.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176493 /nfs/dbraw/zinc/17/64/93/823176493.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 2 1 381.568 4.222 20 0 GIADMP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382831 823178885 /nfs/dbraw/zinc/17/88/85/823178885.db2.gz WJLDROBIJULISV-HXUWFJFHSA-N 2 1 393.579 4.368 20 0 GIADMP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382831 823178887 /nfs/dbraw/zinc/17/88/87/823178887.db2.gz WJLDROBIJULISV-HXUWFJFHSA-N 2 1 393.579 4.368 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc(O)c2Br)c1 ZINC000459393645 823181746 /nfs/dbraw/zinc/18/17/46/823181746.db2.gz MQLUNSPPYALGDU-UHFFFAOYSA-N 2 1 377.326 4.285 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000056629377 823185539 /nfs/dbraw/zinc/18/55/39/823185539.db2.gz UVJJPHDMLDXZCF-VCSGRIEYSA-N 2 1 395.551 4.049 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000056629377 823185544 /nfs/dbraw/zinc/18/55/44/823185544.db2.gz UVJJPHDMLDXZCF-VCSGRIEYSA-N 2 1 395.551 4.049 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459423936 823189620 /nfs/dbraw/zinc/18/96/20/823189620.db2.gz GCSVSVQYQBCYOS-FQEVSTJZSA-N 2 1 394.559 4.261 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434479 823191656 /nfs/dbraw/zinc/19/16/56/823191656.db2.gz OTESZCITSAXNDO-KKLQWCBXSA-N 2 1 399.604 4.146 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434479 823191660 /nfs/dbraw/zinc/19/16/60/823191660.db2.gz OTESZCITSAXNDO-KKLQWCBXSA-N 2 1 399.604 4.146 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccc(Br)cc3)CC2)[nH+]c1 ZINC000188220757 823205341 /nfs/dbraw/zinc/20/53/41/823205341.db2.gz KISCPVKESXNEMD-INIZCTEOSA-N 2 1 388.353 4.342 20 0 GIADMP O=C1CC[C@@H](C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517901 823209831 /nfs/dbraw/zinc/20/98/31/823209831.db2.gz GDHGNIFGKOOXEH-VWNXMTODSA-N 2 1 397.607 4.060 20 0 GIADMP CCc1nnc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523908 823210969 /nfs/dbraw/zinc/21/09/69/823210969.db2.gz AAERDKLTTXISDG-OAQYLSRUSA-N 2 1 382.552 4.289 20 0 GIADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000459729310 823257573 /nfs/dbraw/zinc/25/75/73/823257573.db2.gz IZCRSGNOEJRYEU-LJQANCHMSA-N 2 1 398.547 4.104 20 0 GIADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409634756 823268159 /nfs/dbraw/zinc/26/81/59/823268159.db2.gz FXGMJYPLKWWCQP-JOCHJYFZSA-N 2 1 399.966 4.245 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126459 823287037 /nfs/dbraw/zinc/28/70/37/823287037.db2.gz FVGGKAVCMDCHAK-UGKGYDQZSA-N 2 1 399.604 4.030 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126458 823287190 /nfs/dbraw/zinc/28/71/90/823287190.db2.gz FVGGKAVCMDCHAK-SIKLNZKXSA-N 2 1 399.604 4.030 20 0 GIADMP COCCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000572186073 823296558 /nfs/dbraw/zinc/29/65/58/823296558.db2.gz LFRVGKIFSITSCB-BKFWDETESA-N 2 1 394.559 4.387 20 0 GIADMP Cc1cnc(CC[N@H+](C)[C@H]2CCC[NH+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312384 /nfs/dbraw/zinc/31/23/84/823312384.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 2 1 394.607 4.282 20 0 GIADMP Cc1cnc(CC[NH+](C)[C@H]2CCC[N@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312391 /nfs/dbraw/zinc/31/23/91/823312391.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 2 1 394.607 4.282 20 0 GIADMP Cc1cnc(CC[NH+](C)[C@H]2CCC[N@@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312397 /nfs/dbraw/zinc/31/23/97/823312397.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 2 1 394.607 4.282 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+]3CCCC[C@H]3C)c2)cc1 ZINC000017317821 818509287 /nfs/dbraw/zinc/50/92/87/818509287.db2.gz VTRXUZDZGLMSTD-LJQANCHMSA-N 2 1 395.547 4.302 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)c2)cc1 ZINC000017317821 818509294 /nfs/dbraw/zinc/50/92/94/818509294.db2.gz VTRXUZDZGLMSTD-LJQANCHMSA-N 2 1 395.547 4.302 20 0 GIADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1Cl ZINC000122385636 823347180 /nfs/dbraw/zinc/34/71/80/823347180.db2.gz MBNPUGYYQCXONU-HNNXBMFYSA-N 2 1 392.927 4.148 20 0 GIADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483286 823347650 /nfs/dbraw/zinc/34/76/50/823347650.db2.gz XVUOAOMEVKKXBA-QGZVFWFLSA-N 2 1 380.923 4.234 20 0 GIADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483286 823347657 /nfs/dbraw/zinc/34/76/57/823347657.db2.gz XVUOAOMEVKKXBA-QGZVFWFLSA-N 2 1 380.923 4.234 20 0 GIADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102850 823358122 /nfs/dbraw/zinc/35/81/22/823358122.db2.gz WLBJBYMXTWELBK-IBGZPJMESA-N 2 1 398.551 4.134 20 0 GIADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102850 823358129 /nfs/dbraw/zinc/35/81/29/823358129.db2.gz WLBJBYMXTWELBK-IBGZPJMESA-N 2 1 398.551 4.134 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189282804 823386553 /nfs/dbraw/zinc/38/65/53/823386553.db2.gz KKSHFCICQSQKGQ-KRWDZBQOSA-N 2 1 389.478 4.415 20 0 GIADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000181409573 821810813 /nfs/dbraw/zinc/81/08/13/821810813.db2.gz IEEIZKPNJVHMAA-IPELMVKDSA-N 2 1 382.495 4.015 20 0 GIADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029146 822067639 /nfs/dbraw/zinc/06/76/39/822067639.db2.gz NOIHUURAQQCQIY-DBVUQKKJSA-N 2 1 386.536 4.250 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263161 822176077 /nfs/dbraw/zinc/17/60/77/822176077.db2.gz RFWPCDSHGQPNBE-QAPCUYQASA-N 2 1 394.437 4.003 20 0 GIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182267156 822179042 /nfs/dbraw/zinc/17/90/42/822179042.db2.gz FLHKRUACNXWQAY-URXFXBBRSA-N 2 1 394.559 4.380 20 0 GIADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178211523 822353852 /nfs/dbraw/zinc/35/38/52/822353852.db2.gz NTCMJCNUHRLZHU-GOSISDBHSA-N 2 1 386.609 4.009 20 0 GIADMP Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)CC2)nc(C)[nH+]1 ZINC000178615617 822396381 /nfs/dbraw/zinc/39/63/81/822396381.db2.gz SLHVAXJUJWXDCI-UHFFFAOYSA-N 2 1 380.467 4.251 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178784877 822409581 /nfs/dbraw/zinc/40/95/81/822409581.db2.gz LFZZVKHXRHAJRI-KRWDZBQOSA-N 2 1 378.314 4.238 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000178853720 822416407 /nfs/dbraw/zinc/41/64/07/822416407.db2.gz DLHMPNSDQQSPRW-UHFFFAOYSA-N 2 1 384.474 4.485 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142912 822430565 /nfs/dbraw/zinc/43/05/65/822430565.db2.gz RBFIDHNVMQZFMT-KGLIPLIRSA-N 2 1 384.430 4.137 20 0 GIADMP CCS[C@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389209 822475603 /nfs/dbraw/zinc/47/56/03/822475603.db2.gz DPQXWABDKFLHLH-MRXNPFEDSA-N 2 1 389.569 4.017 20 0 GIADMP CCS[C@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389209 822475605 /nfs/dbraw/zinc/47/56/05/822475605.db2.gz DPQXWABDKFLHLH-MRXNPFEDSA-N 2 1 389.569 4.017 20 0 GIADMP CCO[C@H](C)c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394828 822476610 /nfs/dbraw/zinc/47/66/10/822476610.db2.gz GEWLJEFGKIOTRV-QGZVFWFLSA-N 2 1 388.581 4.374 20 0 GIADMP CCO[C@H](C)c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394828 822476612 /nfs/dbraw/zinc/47/66/12/822476612.db2.gz GEWLJEFGKIOTRV-QGZVFWFLSA-N 2 1 388.581 4.374 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)oc1C ZINC000179429237 822481375 /nfs/dbraw/zinc/48/13/75/822481375.db2.gz ZGISBEMTHLTFRD-HNNXBMFYSA-N 2 1 388.581 4.190 20 0 GIADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1OC(F)F ZINC000179511339 822493677 /nfs/dbraw/zinc/49/36/77/822493677.db2.gz JAHRKBSBRRQKCP-CYBMUJFWSA-N 2 1 399.869 4.128 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682337 822510525 /nfs/dbraw/zinc/51/05/25/822510525.db2.gz QKVDQGOUZDMJSA-CVEARBPZSA-N 2 1 380.467 4.306 20 0 GIADMP COC[C@@H](Cc1ccccc1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955825 822585246 /nfs/dbraw/zinc/58/52/46/822585246.db2.gz WSVWJGBTLLHOGR-HSZRJFAPSA-N 2 1 381.564 4.134 20 0 GIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC000180172058 822631878 /nfs/dbraw/zinc/63/18/78/822631878.db2.gz GVKHYJTYVLYDAP-WINZOAQQSA-N 3 1 390.575 4.083 20 0 GIADMP c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]CC2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC000180172058 822631880 /nfs/dbraw/zinc/63/18/80/822631880.db2.gz GVKHYJTYVLYDAP-WINZOAQQSA-N 2 1 390.575 4.083 20 0 GIADMP C[C@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000048749226 822681211 /nfs/dbraw/zinc/68/12/11/822681211.db2.gz QKHSPIKNIIGOSV-QGZVFWFLSA-N 2 1 385.939 4.414 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)oc1C ZINC000180524085 822695794 /nfs/dbraw/zinc/69/57/94/822695794.db2.gz UDUXUJIIWSTVPX-DEOSSOPVSA-N 2 1 390.531 4.278 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c1 ZINC000174413821 822786837 /nfs/dbraw/zinc/78/68/37/822786837.db2.gz XHFAQXINPKSVDY-UHFFFAOYSA-N 2 1 376.504 4.399 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1)C1CC1 ZINC000456256676 822790785 /nfs/dbraw/zinc/79/07/85/822790785.db2.gz CRSIKCVMWCEREC-QHCPKHFHSA-N 2 1 377.532 4.472 20 0 GIADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000174526051 822800992 /nfs/dbraw/zinc/80/09/92/822800992.db2.gz FJRYUAAHLVDCOK-WIYYLYMNSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526051 822800995 /nfs/dbraw/zinc/80/09/95/822800995.db2.gz FJRYUAAHLVDCOK-WIYYLYMNSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526051 822800998 /nfs/dbraw/zinc/80/09/98/822800998.db2.gz FJRYUAAHLVDCOK-WIYYLYMNSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677945 822809260 /nfs/dbraw/zinc/80/92/60/822809260.db2.gz URZOVTGVGAFFBK-HRCADAONSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677945 822809262 /nfs/dbraw/zinc/80/92/62/822809262.db2.gz URZOVTGVGAFFBK-HRCADAONSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683158 822809687 /nfs/dbraw/zinc/80/96/87/822809687.db2.gz ABOOBTFWYLWHLB-AEFFLSMTSA-N 2 1 375.582 4.203 20 0 GIADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C)c1OCc1ccccn1 ZINC000174600501 822810478 /nfs/dbraw/zinc/81/04/78/822810478.db2.gz GFYJPSDHUYVVRU-NOTZXAQLSA-N 2 1 379.548 4.382 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710727 822812906 /nfs/dbraw/zinc/81/29/06/822812906.db2.gz HYFUIJISXNUJCA-SJORKVTESA-N 2 1 377.960 4.138 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710727 822812909 /nfs/dbraw/zinc/81/29/09/822812909.db2.gz HYFUIJISXNUJCA-SJORKVTESA-N 2 1 377.960 4.138 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739666 822816557 /nfs/dbraw/zinc/81/65/57/822816557.db2.gz BXIYCHGAOLLKOI-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739666 822816561 /nfs/dbraw/zinc/81/65/61/822816561.db2.gz BXIYCHGAOLLKOI-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765208 822818971 /nfs/dbraw/zinc/81/89/71/822818971.db2.gz UGPCVDNQWLNSNO-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765208 822818974 /nfs/dbraw/zinc/81/89/74/822818974.db2.gz UGPCVDNQWLNSNO-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186345671 822879220 /nfs/dbraw/zinc/87/92/20/822879220.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 2 1 380.532 4.286 20 0 GIADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186345671 822879223 /nfs/dbraw/zinc/87/92/23/822879223.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 2 1 380.532 4.286 20 0 GIADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186345671 822879226 /nfs/dbraw/zinc/87/92/26/822879226.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 2 1 380.532 4.286 20 0 GIADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186345671 822879230 /nfs/dbraw/zinc/87/92/30/822879230.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 2 1 380.532 4.286 20 0 GIADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186503321 822905859 /nfs/dbraw/zinc/90/58/59/822905859.db2.gz VFQUSOPRFQCPAS-SLFFLAALSA-N 2 1 395.385 4.003 20 0 GIADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928283 822986855 /nfs/dbraw/zinc/98/68/55/822986855.db2.gz AHBODLRVVJNTRQ-FVQBIDKESA-N 2 1 394.441 4.138 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187125735 823014565 /nfs/dbraw/zinc/01/45/65/823014565.db2.gz NGINAWIRUCBPCC-IBGZPJMESA-N 2 1 391.559 4.260 20 0 GIADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000060580880 823544547 /nfs/dbraw/zinc/54/45/47/823544547.db2.gz BJQGIDHWBKWYAV-DEOSSOPVSA-N 2 1 393.575 4.057 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123855306 823546242 /nfs/dbraw/zinc/54/62/42/823546242.db2.gz NZRUBRNBMJVPAQ-UWJYYQICSA-N 2 1 380.536 4.013 20 0 GIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951430 823554693 /nfs/dbraw/zinc/55/46/93/823554693.db2.gz PGLMUMQFWAABOL-MRXNPFEDSA-N 2 1 381.499 4.017 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951430 823554697 /nfs/dbraw/zinc/55/46/97/823554697.db2.gz PGLMUMQFWAABOL-MRXNPFEDSA-N 2 1 381.499 4.017 20 0 GIADMP CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000461014872 823559308 /nfs/dbraw/zinc/55/93/08/823559308.db2.gz JUJIXLJNHQJWSQ-UHFFFAOYSA-N 2 1 377.617 4.002 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000124050999 823563139 /nfs/dbraw/zinc/56/31/39/823563139.db2.gz DPPHMIJBZINONI-UHFFFAOYSA-N 2 1 397.567 4.486 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563584 /nfs/dbraw/zinc/56/35/84/823563584.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563585 /nfs/dbraw/zinc/56/35/85/823563585.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563586 /nfs/dbraw/zinc/56/35/86/823563586.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 2 1 393.575 4.087 20 0 GIADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411389695 823568895 /nfs/dbraw/zinc/56/88/95/823568895.db2.gz OPHNTLHGODMODB-QFIPXVFZSA-N 2 1 381.568 4.225 20 0 GIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411403214 823570588 /nfs/dbraw/zinc/57/05/88/823570588.db2.gz VXXGQCFOLUUGNK-UHFFFAOYSA-N 2 1 392.503 4.335 20 0 GIADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411403214 823570591 /nfs/dbraw/zinc/57/05/91/823570591.db2.gz VXXGQCFOLUUGNK-UHFFFAOYSA-N 2 1 392.503 4.335 20 0 GIADMP COc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1cccnc1 ZINC000060978697 823570908 /nfs/dbraw/zinc/57/09/08/823570908.db2.gz YGQHSZXHAGDPKT-BGYRXZFFSA-N 2 1 397.563 4.127 20 0 GIADMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1cccnc1 ZINC000060978697 823570912 /nfs/dbraw/zinc/57/09/12/823570912.db2.gz YGQHSZXHAGDPKT-BGYRXZFFSA-N 2 1 397.563 4.127 20 0 GIADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000061070936 823576900 /nfs/dbraw/zinc/57/69/00/823576900.db2.gz AQWLTJJQBKDFAU-OALUTQOASA-N 2 1 382.548 4.472 20 0 GIADMP CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000411473840 823578911 /nfs/dbraw/zinc/57/89/11/823578911.db2.gz KRVLPPVRSJAFSR-KRWDZBQOSA-N 2 1 392.503 4.259 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537542 823586195 /nfs/dbraw/zinc/58/61/95/823586195.db2.gz VTWMKXBHOKXFJX-CYGODWOOSA-N 2 1 399.966 4.415 20 0 GIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553277 823587840 /nfs/dbraw/zinc/58/78/40/823587840.db2.gz QVUPQYZEWFBSEU-PXNSSMCTSA-N 2 1 385.939 4.169 20 0 GIADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597763 823589881 /nfs/dbraw/zinc/58/98/81/823589881.db2.gz HXFDVKIOWVISMT-QGZVFWFLSA-N 2 1 387.387 4.052 20 0 GIADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411690794 823597243 /nfs/dbraw/zinc/59/72/43/823597243.db2.gz IEBAIIJYSSBEMJ-NOTZXAQLSA-N 2 1 378.564 4.317 20 0 GIADMP CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000061558241 823603793 /nfs/dbraw/zinc/60/37/93/823603793.db2.gz ZMQGKMAOHKLYIL-UHFFFAOYSA-N 2 1 399.373 4.068 20 0 GIADMP CC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000061558272 823603810 /nfs/dbraw/zinc/60/38/10/823603810.db2.gz ZNPXUBZWBOAHRR-UHFFFAOYSA-N 2 1 389.547 4.146 20 0 GIADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000190745934 823604741 /nfs/dbraw/zinc/60/47/41/823604741.db2.gz XJZHAHCZQHNOMY-UHFFFAOYSA-N 2 1 377.536 4.052 20 0 GIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125027605 823646211 /nfs/dbraw/zinc/64/62/11/823646211.db2.gz FIUVIWXTOTVIGV-GPUOULLFSA-N 2 1 392.591 4.027 20 0 GIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125027605 823646214 /nfs/dbraw/zinc/64/62/14/823646214.db2.gz FIUVIWXTOTVIGV-GPUOULLFSA-N 2 1 392.591 4.027 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498272 823691893 /nfs/dbraw/zinc/69/18/93/823691893.db2.gz OFGLLYDEBOIMGN-KRWDZBQOSA-N 2 1 390.959 4.455 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498272 823691899 /nfs/dbraw/zinc/69/18/99/823691899.db2.gz OFGLLYDEBOIMGN-KRWDZBQOSA-N 2 1 390.959 4.455 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000191505445 823692894 /nfs/dbraw/zinc/69/28/94/823692894.db2.gz RMNOJBNJDMGTOL-LJQANCHMSA-N 2 1 392.547 4.188 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000191505445 823692895 /nfs/dbraw/zinc/69/28/95/823692895.db2.gz RMNOJBNJDMGTOL-LJQANCHMSA-N 2 1 392.547 4.188 20 0 GIADMP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000063774038 823694922 /nfs/dbraw/zinc/69/49/22/823694922.db2.gz NNONHKNPUWFABV-DEOSSOPVSA-N 2 1 391.559 4.172 20 0 GIADMP CSc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000574328555 823703344 /nfs/dbraw/zinc/70/33/44/823703344.db2.gz SAXBGRXUYXVPNQ-UHFFFAOYSA-N 2 1 381.655 4.098 20 0 GIADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000191589009 823705216 /nfs/dbraw/zinc/70/52/16/823705216.db2.gz UBQNWMOGVYPZAN-UHFFFAOYSA-N 2 1 392.591 4.129 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574424232 823725648 /nfs/dbraw/zinc/72/56/48/823725648.db2.gz QNJKNEWVBDGEPI-UXGKSEPASA-N 2 1 391.987 4.102 20 0 GIADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574433741 823727825 /nfs/dbraw/zinc/72/78/25/823727825.db2.gz BSVIBHSUMZIFBK-HSZRJFAPSA-N 2 1 375.516 4.167 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733057 /nfs/dbraw/zinc/73/30/57/823733057.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733062 /nfs/dbraw/zinc/73/30/62/823733062.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733066 /nfs/dbraw/zinc/73/30/66/823733066.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 2 1 376.342 4.159 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163933902 823762655 /nfs/dbraw/zinc/76/26/55/823762655.db2.gz NAPABHOVLWDWRE-XMMPIXPASA-N 2 1 398.522 4.092 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962274 823766154 /nfs/dbraw/zinc/76/61/54/823766154.db2.gz SCASHISCQRGZDT-DEOSSOPVSA-N 2 1 398.522 4.092 20 0 GIADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163957453 823766372 /nfs/dbraw/zinc/76/63/72/823766372.db2.gz MSFUMWOQMSFACN-OAQYLSRUSA-N 2 1 388.577 4.479 20 0 GIADMP Clc1cc2c(cc1CN1CCC(CCCn3ccnc3)CC1)OCCO2 ZINC000574788909 823826398 /nfs/dbraw/zinc/82/63/98/823826398.db2.gz MALJTSQZEMRERB-UHFFFAOYSA-N 2 1 375.900 4.000 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324739 823843357 /nfs/dbraw/zinc/84/33/57/823843357.db2.gz ZNQFBVCIPIZPSW-CTNGQTDRSA-N 2 1 382.548 4.057 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000126395562 823856187 /nfs/dbraw/zinc/85/61/87/823856187.db2.gz JGVWIEYTSMHSMA-LSDHHAIUSA-N 2 1 377.517 4.467 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053507 823900925 /nfs/dbraw/zinc/90/09/25/823900925.db2.gz ODPLAAZJQLOHNJ-CQOQZXRMSA-N 2 1 394.584 4.477 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053507 823900931 /nfs/dbraw/zinc/90/09/31/823900931.db2.gz ODPLAAZJQLOHNJ-CQOQZXRMSA-N 2 1 394.584 4.477 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C1 ZINC000575084822 823907173 /nfs/dbraw/zinc/90/71/73/823907173.db2.gz HWZXGWYVTDJCTR-GOSISDBHSA-N 2 1 397.529 4.425 20 0 GIADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126662269 823921741 /nfs/dbraw/zinc/92/17/41/823921741.db2.gz JWGRCDQWLREZIR-KRWDZBQOSA-N 2 1 386.609 4.173 20 0 GIADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171669 823922153 /nfs/dbraw/zinc/92/21/53/823922153.db2.gz DKBHCUKWQJMPOK-STQMWFEESA-N 2 1 378.410 4.272 20 0 GIADMP CCOCc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217775 823942649 /nfs/dbraw/zinc/94/26/49/823942649.db2.gz AVAATORDKJFQGL-VWLOTQADSA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217775 823942658 /nfs/dbraw/zinc/94/26/58/823942658.db2.gz AVAATORDKJFQGL-VWLOTQADSA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217775 823942667 /nfs/dbraw/zinc/94/26/67/823942667.db2.gz AVAATORDKJFQGL-VWLOTQADSA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217775 823942676 /nfs/dbraw/zinc/94/26/76/823942676.db2.gz AVAATORDKJFQGL-VWLOTQADSA-N 2 1 394.559 4.330 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962641 824039357 /nfs/dbraw/zinc/03/93/57/824039357.db2.gz OFOAKIGNGHVLMA-IFMALSPDSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962641 824039360 /nfs/dbraw/zinc/03/93/60/824039360.db2.gz OFOAKIGNGHVLMA-IFMALSPDSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962641 824039365 /nfs/dbraw/zinc/03/93/65/824039365.db2.gz OFOAKIGNGHVLMA-IFMALSPDSA-N 2 1 390.506 4.170 20 0 GIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164387219 718803261 /nfs/dbraw/zinc/80/32/61/718803261.db2.gz JFCXQAPGKDOWHK-UHFFFAOYSA-N 2 1 399.608 4.016 20 0 GIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413134 718881858 /nfs/dbraw/zinc/88/18/58/718881858.db2.gz CDPBXKRMFXFWKH-ZWKOTPCHSA-N 2 1 396.501 4.282 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164838602 720573543 /nfs/dbraw/zinc/57/35/43/720573543.db2.gz OSAYRQLUZPEILX-QNWVGRARSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164838602 720573550 /nfs/dbraw/zinc/57/35/50/720573550.db2.gz OSAYRQLUZPEILX-QNWVGRARSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1ccc2c(C)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH+]c2c1C ZINC001164736075 720582783 /nfs/dbraw/zinc/58/27/83/720582783.db2.gz AGEKFESTIFMBDI-UHFFFAOYSA-N 2 1 389.547 4.015 20 0 GIADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164845348 720684103 /nfs/dbraw/zinc/68/41/03/720684103.db2.gz YLEQCNHBMDSCKB-JOCHJYFZSA-N 2 1 391.559 4.220 20 0 GIADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164845348 720684106 /nfs/dbraw/zinc/68/41/06/720684106.db2.gz YLEQCNHBMDSCKB-JOCHJYFZSA-N 2 1 391.559 4.220 20 0 GIADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164958043 722025105 /nfs/dbraw/zinc/02/51/05/722025105.db2.gz DUCJHORBKXNGQN-UHFFFAOYSA-N 2 1 384.955 4.353 20 0 GIADMP C[N@@H+](CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000120759695 823058526 /nfs/dbraw/zinc/05/85/26/823058526.db2.gz YLDJLUFOYLNUOZ-UHFFFAOYSA-N 2 1 391.987 4.189 20 0 GIADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573055 823056209 /nfs/dbraw/zinc/05/62/09/823056209.db2.gz FZDLVXRMCXOKNV-JOCHJYFZSA-N 2 1 375.516 4.143 20 0 GIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573055 823056213 /nfs/dbraw/zinc/05/62/13/823056213.db2.gz FZDLVXRMCXOKNV-JOCHJYFZSA-N 2 1 375.516 4.143 20 0 GIADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682034 823071753 /nfs/dbraw/zinc/07/17/53/823071753.db2.gz ORUJEVLJLBSLED-PMACEKPBSA-N 2 1 384.951 4.203 20 0 GIADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682034 823071754 /nfs/dbraw/zinc/07/17/54/823071754.db2.gz ORUJEVLJLBSLED-PMACEKPBSA-N 2 1 384.951 4.203 20 0 GIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083103 823129549 /nfs/dbraw/zinc/12/95/49/823129549.db2.gz BXBHPPUMZCUHHY-OAQYLSRUSA-N 2 1 380.532 4.381 20 0 GIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083103 823129552 /nfs/dbraw/zinc/12/95/52/823129552.db2.gz BXBHPPUMZCUHHY-OAQYLSRUSA-N 2 1 380.532 4.381 20 0 GIADMP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000459377339 823176932 /nfs/dbraw/zinc/17/69/32/823176932.db2.gz MHRLMZXUQRECES-UHFFFAOYSA-N 2 1 375.310 4.040 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000459395752 823182466 /nfs/dbraw/zinc/18/24/66/823182466.db2.gz BLTHBAABPPVCGZ-LJQANCHMSA-N 2 1 394.588 4.236 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000459395752 823182470 /nfs/dbraw/zinc/18/24/70/823182470.db2.gz BLTHBAABPPVCGZ-LJQANCHMSA-N 2 1 394.588 4.236 20 0 GIADMP C[C@@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1ccnc1 ZINC000121507322 823196826 /nfs/dbraw/zinc/19/68/26/823196826.db2.gz BOJDLSDHGUBLDI-CJNGLKHVSA-N 2 1 377.464 4.088 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121508681 823197065 /nfs/dbraw/zinc/19/70/65/823197065.db2.gz HDDILVHWUXPSMI-RYUDHWBXSA-N 2 1 389.393 4.381 20 0 GIADMP CCOc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1O ZINC000459483991 823201954 /nfs/dbraw/zinc/20/19/54/823201954.db2.gz NDJWGYLEAFCJJF-UHFFFAOYSA-N 2 1 389.927 4.188 20 0 GIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccc(Br)cc3)CC2)[nH+]1 ZINC000188208590 823203528 /nfs/dbraw/zinc/20/35/28/823203528.db2.gz NOFAOAMNHCPETM-INIZCTEOSA-N 2 1 388.353 4.342 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cscc3C(F)(F)F)CC2)oc1C ZINC000571604946 823206902 /nfs/dbraw/zinc/20/69/02/823206902.db2.gz QYRKFWZNTRLLFH-UHFFFAOYSA-N 2 1 387.471 4.374 20 0 GIADMP CCn1c(C)nnc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528863 823212530 /nfs/dbraw/zinc/21/25/30/823212530.db2.gz RBKKWLMNGIAUCV-HSZRJFAPSA-N 2 1 395.595 4.263 20 0 GIADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699809 823221307 /nfs/dbraw/zinc/22/13/07/823221307.db2.gz KXFNGODIPFTKSK-QGZVFWFLSA-N 2 1 398.016 4.165 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000188520526 823255420 /nfs/dbraw/zinc/25/54/20/823255420.db2.gz XTHNBEPKOXOLIJ-OAHLLOKOSA-N 2 1 380.458 4.106 20 0 GIADMP CC(C)OCC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000176748261 823283811 /nfs/dbraw/zinc/28/38/11/823283811.db2.gz QBDHZXUSCASZEA-UHFFFAOYSA-N 2 1 399.362 4.248 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000122113396 823308238 /nfs/dbraw/zinc/30/82/38/823308238.db2.gz VGAIQSXIKVTFLA-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[NH+]3CCC(C)CC3)c2)cc1 ZINC000015186030 818297698 /nfs/dbraw/zinc/29/76/98/818297698.db2.gz ZRIOGKVVXDCPMV-UHFFFAOYSA-N 2 1 395.547 4.159 20 0 GIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCc3ccccc3C2)cc1 ZINC000409881545 823335068 /nfs/dbraw/zinc/33/50/68/823335068.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 2 1 393.575 4.097 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000409881545 823335074 /nfs/dbraw/zinc/33/50/74/823335074.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 2 1 393.575 4.097 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000409881545 823335082 /nfs/dbraw/zinc/33/50/82/823335082.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 2 1 393.575 4.097 20 0 GIADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843948 823340567 /nfs/dbraw/zinc/34/05/67/823340567.db2.gz IBGGETSJTDLLEN-FQEVSTJZSA-N 2 1 379.548 4.166 20 0 GIADMP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889353 823345460 /nfs/dbraw/zinc/34/54/60/823345460.db2.gz LHKJOIIQDIQDSV-GOSISDBHSA-N 2 1 389.609 4.324 20 0 GIADMP Cc1ccc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2ccccc2)cc1 ZINC000572519773 823352765 /nfs/dbraw/zinc/35/27/65/823352765.db2.gz MFFWSYCVXBBWPA-XMMPIXPASA-N 2 1 375.516 4.210 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353735 /nfs/dbraw/zinc/35/37/35/823353735.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353741 /nfs/dbraw/zinc/35/37/41/823353741.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353750 /nfs/dbraw/zinc/35/37/50/823353750.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353758 /nfs/dbraw/zinc/35/37/58/823353758.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 2 1 397.588 4.414 20 0 GIADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000460346084 823360065 /nfs/dbraw/zinc/36/00/65/823360065.db2.gz FNWSUYYFUSIJGD-IRXDYDNUSA-N 2 1 385.939 4.025 20 0 GIADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000572659284 823377729 /nfs/dbraw/zinc/37/77/29/823377729.db2.gz AZLDDJOCUJMKAU-UHFFFAOYSA-N 2 1 385.515 4.337 20 0 GIADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000572659284 823377735 /nfs/dbraw/zinc/37/77/35/823377735.db2.gz AZLDDJOCUJMKAU-UHFFFAOYSA-N 2 1 385.515 4.337 20 0 GIADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310378 823391915 /nfs/dbraw/zinc/39/19/15/823391915.db2.gz CZBAJHCNKPJWTG-MSOLQXFVSA-N 2 1 390.877 4.216 20 0 GIADMP CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573097112 823446644 /nfs/dbraw/zinc/44/66/44/823446644.db2.gz HCQBNYJITXWCHD-QHCPKHFHSA-N 2 1 394.559 4.104 20 0 GIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000573106088 823448450 /nfs/dbraw/zinc/44/84/50/823448450.db2.gz QKMJRWGAYOHCNL-UHFFFAOYSA-N 2 1 379.548 4.405 20 0 GIADMP C[C@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419045 823491157 /nfs/dbraw/zinc/49/11/57/823491157.db2.gz UAGKKFYQLSRQSG-VDGAXYAQSA-N 2 1 387.618 4.252 20 0 GIADMP Cc1cccc(Cl)c1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189956008 823517736 /nfs/dbraw/zinc/51/77/36/823517736.db2.gz IGYXYQGYLSVDIK-QZTJIDSGSA-N 2 1 399.966 4.333 20 0 GIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)nc3ccccc23)[C@H](C)C1 ZINC000189993883 823523026 /nfs/dbraw/zinc/52/30/26/823523026.db2.gz KSYOAXDRFILCCL-VQIMIIECSA-N 2 1 375.944 4.115 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177837141 823534052 /nfs/dbraw/zinc/53/40/52/823534052.db2.gz LDGQXIYMBMVAFA-SFHVURJKSA-N 2 1 392.609 4.174 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000123742126 823536446 /nfs/dbraw/zinc/53/64/46/823536446.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000123742126 823536449 /nfs/dbraw/zinc/53/64/49/823536449.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123742126 823536453 /nfs/dbraw/zinc/53/64/53/823536453.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123742126 823536457 /nfs/dbraw/zinc/53/64/57/823536457.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641714 821379297 /nfs/dbraw/zinc/37/92/97/821379297.db2.gz LIBMNVBYBBJWOO-KXBFYZLASA-N 2 1 394.437 4.003 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000180753075 821434781 /nfs/dbraw/zinc/43/47/81/821434781.db2.gz ZVVZVTHLUTZIIW-SFHVURJKSA-N 2 1 388.515 4.154 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000181391002 821801455 /nfs/dbraw/zinc/80/14/55/821801455.db2.gz HDSOJBRAXNKPOG-ZDUSSCGKSA-N 2 1 388.512 4.124 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000181438739 821827434 /nfs/dbraw/zinc/82/74/34/821827434.db2.gz BFQQECBWSYPOSR-AWEZNQCLSA-N 2 1 377.326 4.370 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000181588395 821892401 /nfs/dbraw/zinc/89/24/01/821892401.db2.gz YVIYMBNKJSLGRD-OALUTQOASA-N 2 1 389.547 4.452 20 0 GIADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741037 821971329 /nfs/dbraw/zinc/97/13/29/821971329.db2.gz TZBGOJVJGSCCTE-WOJBJXKFSA-N 2 1 377.573 4.077 20 0 GIADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229065 822157106 /nfs/dbraw/zinc/15/71/06/822157106.db2.gz GDZLXBBGWISREA-NFBKMPQASA-N 2 1 388.502 4.408 20 0 GIADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229048 822157151 /nfs/dbraw/zinc/15/71/51/822157151.db2.gz GDZLXBBGWISREA-OFNKIYASSA-N 2 1 388.502 4.408 20 0 GIADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000182227751 822157212 /nfs/dbraw/zinc/15/72/12/822157212.db2.gz KEDOQXCHVYLVAJ-ISKFKSNPSA-N 2 1 382.548 4.139 20 0 GIADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)oc21 ZINC000182237420 822161156 /nfs/dbraw/zinc/16/11/56/822161156.db2.gz BCIPPXRWIHTGCP-DYESRHJHSA-N 2 1 394.515 4.249 20 0 GIADMP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182247423 822166703 /nfs/dbraw/zinc/16/67/03/822166703.db2.gz ZVVZLCXGSPPWAP-WMZHIEFXSA-N 2 1 382.548 4.281 20 0 GIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000182261514 822175210 /nfs/dbraw/zinc/17/52/10/822175210.db2.gz YOENWLRUJWHLFX-PZJWPPBQSA-N 2 1 390.474 4.096 20 0 GIADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182261645 822175370 /nfs/dbraw/zinc/17/53/70/822175370.db2.gz RFWPJVMEPXXPDO-XLIONFOSSA-N 2 1 378.516 4.413 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263142 822175831 /nfs/dbraw/zinc/17/58/31/822175831.db2.gz RFWPCDSHGQPNBE-YJBOKZPZSA-N 2 1 394.437 4.003 20 0 GIADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178239896 822357598 /nfs/dbraw/zinc/35/75/98/822357598.db2.gz PSCQOKNVEAPHRC-FOIQADDNSA-N 2 1 391.437 4.099 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)ccc1OC ZINC000182930531 822395142 /nfs/dbraw/zinc/39/51/42/822395142.db2.gz LGAOWEUEMLHIRC-GOSISDBHSA-N 2 1 380.536 4.344 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000178699608 822403783 /nfs/dbraw/zinc/40/37/83/822403783.db2.gz LPDBWQFKINFCMZ-SUMWQHHRSA-N 2 1 378.314 4.094 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140459 822429842 /nfs/dbraw/zinc/42/98/42/822429842.db2.gz BBAPELHLIQUOQF-ROUUACIJSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142886 822430573 /nfs/dbraw/zinc/43/05/73/822430573.db2.gz CGNHUODZRSNYCA-UONOGXRCSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495938 822490973 /nfs/dbraw/zinc/49/09/73/822490973.db2.gz MFOVERJEXBHLBH-JPYJTQIMSA-N 2 1 388.515 4.023 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682847 822510681 /nfs/dbraw/zinc/51/06/81/822510681.db2.gz UAOIITRDYQSQDI-WMZOPIPTSA-N 2 1 384.524 4.088 20 0 GIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719211 822516370 /nfs/dbraw/zinc/51/63/70/822516370.db2.gz JGVOWNQYJMRUBJ-WMLDXEAASA-N 2 1 380.355 4.078 20 0 GIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719211 822516373 /nfs/dbraw/zinc/51/63/73/822516373.db2.gz JGVOWNQYJMRUBJ-WMLDXEAASA-N 2 1 380.355 4.078 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180110455 822617513 /nfs/dbraw/zinc/61/75/13/822617513.db2.gz YEDOAJDEKTWDAB-QHCPKHFHSA-N 2 1 385.983 4.437 20 0 GIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139650 822624518 /nfs/dbraw/zinc/62/45/18/822624518.db2.gz CMWVTLRGSQLJNK-OOGWUDDOSA-N 2 1 378.520 4.023 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636827 /nfs/dbraw/zinc/63/68/27/822636827.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636828 /nfs/dbraw/zinc/63/68/28/822636828.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 2 1 376.342 4.159 20 0 GIADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000455858220 822738279 /nfs/dbraw/zinc/73/82/79/822738279.db2.gz PBYICVMYBATVOW-SGXKBVARSA-N 2 1 384.568 4.010 20 0 GIADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000185231619 822752399 /nfs/dbraw/zinc/75/23/99/822752399.db2.gz SOMVFYKFSINEHL-UHFFFAOYSA-N 2 1 393.362 4.209 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749646 822817519 /nfs/dbraw/zinc/81/75/19/822817519.db2.gz VGRXEPAAUDGJHK-DENIHFKCSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749646 822817522 /nfs/dbraw/zinc/81/75/22/822817522.db2.gz VGRXEPAAUDGJHK-DENIHFKCSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765021 822818872 /nfs/dbraw/zinc/81/88/72/822818872.db2.gz JOQZFKDPGNJLRH-CABCVRRESA-N 2 1 397.535 4.182 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765021 822818878 /nfs/dbraw/zinc/81/88/78/822818878.db2.gz JOQZFKDPGNJLRH-CABCVRRESA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764969 822818993 /nfs/dbraw/zinc/81/89/93/822818993.db2.gz JOQZFKDPGNJLRH-LSDHHAIUSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764969 822818997 /nfs/dbraw/zinc/81/89/97/822818997.db2.gz JOQZFKDPGNJLRH-LSDHHAIUSA-N 2 1 397.535 4.182 20 0 GIADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741587 822961764 /nfs/dbraw/zinc/96/17/64/822961764.db2.gz QCCMZFGGOGHLHM-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741587 822961765 /nfs/dbraw/zinc/96/17/65/822961765.db2.gz QCCMZFGGOGHLHM-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741587 822961769 /nfs/dbraw/zinc/96/17/69/822961769.db2.gz QCCMZFGGOGHLHM-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741587 822961771 /nfs/dbraw/zinc/96/17/71/822961771.db2.gz QCCMZFGGOGHLHM-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222745 823016529 /nfs/dbraw/zinc/01/65/29/823016529.db2.gz FIMNPAFRINZNLC-OAQYLSRUSA-N 2 1 391.987 4.104 20 0 GIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccncc3OCCC[NH+](C)C)o2)cc1 ZINC000570429440 823037040 /nfs/dbraw/zinc/03/70/40/823037040.db2.gz RDPBMBXAHIDUJY-UHFFFAOYSA-N 2 1 379.504 4.270 20 0 GIADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411153296 823552345 /nfs/dbraw/zinc/55/23/45/823552345.db2.gz IMPRXVUNKNGCBA-UHFFFAOYSA-N 2 1 379.548 4.360 20 0 GIADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411153296 823552347 /nfs/dbraw/zinc/55/23/47/823552347.db2.gz IMPRXVUNKNGCBA-UHFFFAOYSA-N 2 1 379.548 4.360 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568230 /nfs/dbraw/zinc/56/82/30/823568230.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568234 /nfs/dbraw/zinc/56/82/34/823568234.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568236 /nfs/dbraw/zinc/56/82/36/823568236.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 2 1 399.604 4.006 20 0 GIADMP Cn1cc(C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)c(C(F)(F)F)n1 ZINC000411399662 823570452 /nfs/dbraw/zinc/57/04/52/823570452.db2.gz RTAMRPVXKINBIR-UHFFFAOYSA-N 2 1 380.458 4.057 20 0 GIADMP Cn1cc(C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)c(C(F)(F)F)n1 ZINC000411399662 823570453 /nfs/dbraw/zinc/57/04/53/823570453.db2.gz RTAMRPVXKINBIR-UHFFFAOYSA-N 2 1 380.458 4.057 20 0 GIADMP C[C@@H]1C[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411423705 823572564 /nfs/dbraw/zinc/57/25/64/823572564.db2.gz YLQZAIMASBEDDV-CTUHWIOQSA-N 2 1 397.994 4.387 20 0 GIADMP C[C@@H]1C[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411423705 823572565 /nfs/dbraw/zinc/57/25/65/823572565.db2.gz YLQZAIMASBEDDV-CTUHWIOQSA-N 2 1 397.994 4.387 20 0 GIADMP CCCn1ccnc1CCC[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411632495 823592517 /nfs/dbraw/zinc/59/25/17/823592517.db2.gz QAZRIZSPKVQEHI-UHFFFAOYSA-N 2 1 387.915 4.104 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411632495 823592518 /nfs/dbraw/zinc/59/25/18/823592518.db2.gz QAZRIZSPKVQEHI-UHFFFAOYSA-N 2 1 387.915 4.104 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411632495 823592526 /nfs/dbraw/zinc/59/25/26/823592526.db2.gz QAZRIZSPKVQEHI-UHFFFAOYSA-N 2 1 387.915 4.104 20 0 GIADMP OC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1F ZINC000411665236 823595728 /nfs/dbraw/zinc/59/57/28/823595728.db2.gz FUDKRTMZRNXAAM-HXUWFJFHSA-N 2 1 376.903 4.288 20 0 GIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700028 823597851 /nfs/dbraw/zinc/59/78/51/823597851.db2.gz ZCCLJWAIPLVJRM-OAQYLSRUSA-N 2 1 383.511 4.045 20 0 GIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700028 823597857 /nfs/dbraw/zinc/59/78/57/823597857.db2.gz ZCCLJWAIPLVJRM-OAQYLSRUSA-N 2 1 383.511 4.045 20 0 GIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697580 823597909 /nfs/dbraw/zinc/59/79/09/823597909.db2.gz WDXOTHKIMZSGGA-OAQYLSRUSA-N 2 1 390.531 4.169 20 0 GIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697580 823597914 /nfs/dbraw/zinc/59/79/14/823597914.db2.gz WDXOTHKIMZSGGA-OAQYLSRUSA-N 2 1 390.531 4.169 20 0 GIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116327 823627661 /nfs/dbraw/zinc/62/76/61/823627661.db2.gz KHSYJXWFDXJKCF-GMAHTHKFSA-N 2 1 397.607 4.399 20 0 GIADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254849 823640283 /nfs/dbraw/zinc/64/02/83/823640283.db2.gz YSMLVUJTCLVOEU-KNQAVFIVSA-N 2 1 383.580 4.055 20 0 GIADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125028113 823646423 /nfs/dbraw/zinc/64/64/23/823646423.db2.gz FIUVIWXTOTVIGV-TUSQITKMSA-N 2 1 392.591 4.027 20 0 GIADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125028113 823646427 /nfs/dbraw/zinc/64/64/27/823646427.db2.gz FIUVIWXTOTVIGV-TUSQITKMSA-N 2 1 392.591 4.027 20 0 GIADMP c1ccc(OCc2ccncc2)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319736 823662107 /nfs/dbraw/zinc/66/21/07/823662107.db2.gz BNTWGCZAABCOQE-UHFFFAOYSA-N 2 1 379.548 4.405 20 0 GIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125546035 823684160 /nfs/dbraw/zinc/68/41/60/823684160.db2.gz BTNFLOSTIFNGGI-LJQANCHMSA-N 2 1 380.561 4.043 20 0 GIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125546035 823684163 /nfs/dbraw/zinc/68/41/63/823684163.db2.gz BTNFLOSTIFNGGI-LJQANCHMSA-N 2 1 380.561 4.043 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519546 823694795 /nfs/dbraw/zinc/69/47/95/823694795.db2.gz LWCAPVXFMZLHSG-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519546 823694796 /nfs/dbraw/zinc/69/47/96/823694796.db2.gz LWCAPVXFMZLHSG-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000461804864 823697853 /nfs/dbraw/zinc/69/78/53/823697853.db2.gz ZJSFNQWNWRLEDO-LJQANCHMSA-N 2 1 398.547 4.036 20 0 GIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063917599 823711385 /nfs/dbraw/zinc/71/13/85/823711385.db2.gz KWYYZLQMBWAGRU-SFHVURJKSA-N 2 1 380.561 4.422 20 0 GIADMP COC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000163505491 823716556 /nfs/dbraw/zinc/71/65/56/823716556.db2.gz MZQVIRJXYIZVQV-IBGZPJMESA-N 2 1 393.453 4.355 20 0 GIADMP COc1cc(OC)c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1Cl ZINC000163526145 823718337 /nfs/dbraw/zinc/71/83/37/823718337.db2.gz UPXLAARQDFYUSX-HNNXBMFYSA-N 2 1 389.927 4.380 20 0 GIADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1 ZINC000163567059 823722761 /nfs/dbraw/zinc/72/27/61/823722761.db2.gz QMBFKZNVUZJPTD-KRWDZBQOSA-N 2 1 395.526 4.407 20 0 GIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000163933384 823762223 /nfs/dbraw/zinc/76/22/23/823762223.db2.gz ACKJHLFTKSKKQV-GOSISDBHSA-N 2 1 388.577 4.397 20 0 GIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997343 823763093 /nfs/dbraw/zinc/76/30/93/823763093.db2.gz OMZOJSBXPMYWFN-QGZVFWFLSA-N 2 1 381.967 4.154 20 0 GIADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164066065 823774773 /nfs/dbraw/zinc/77/47/73/823774773.db2.gz WCADYSDLJLZLAE-GOSISDBHSA-N 2 1 383.536 4.193 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000164493092 823804940 /nfs/dbraw/zinc/80/49/40/823804940.db2.gz WEKCWUOBQDKUOT-UHFFFAOYSA-N 2 1 395.469 4.028 20 0 GIADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743937 823816155 /nfs/dbraw/zinc/81/61/55/823816155.db2.gz HAWKVTQBDIIUHC-OKZBNKHCSA-N 2 1 399.362 4.175 20 0 GIADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958561 823826671 /nfs/dbraw/zinc/82/66/71/823826671.db2.gz WCYUYICBMSBLSH-APWZRJJASA-N 2 1 390.622 4.155 20 0 GIADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958561 823826680 /nfs/dbraw/zinc/82/66/80/823826680.db2.gz WCYUYICBMSBLSH-APWZRJJASA-N 2 1 390.622 4.155 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000164988662 823828469 /nfs/dbraw/zinc/82/84/69/823828469.db2.gz RZTCXKZXVKATIC-FLMDEPPBSA-N 2 1 376.591 4.219 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000164988662 823828473 /nfs/dbraw/zinc/82/84/73/823828473.db2.gz RZTCXKZXVKATIC-FLMDEPPBSA-N 2 1 376.591 4.219 20 0 GIADMP C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413845586 823850262 /nfs/dbraw/zinc/85/02/62/823850262.db2.gz PCQAKEFEVXEZMD-OWCLPIDISA-N 2 1 393.959 4.013 20 0 GIADMP Cc1csc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC000166670080 823880831 /nfs/dbraw/zinc/88/08/31/823880831.db2.gz IEGPUDCSOGDIST-INIZCTEOSA-N 2 1 381.549 4.265 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000575023574 823891221 /nfs/dbraw/zinc/89/12/21/823891221.db2.gz QCVUTKTWMUIGKE-SFHVURJKSA-N 2 1 392.547 4.028 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059448 823897911 /nfs/dbraw/zinc/89/79/11/823897911.db2.gz IPRVNMHVOAKTAF-RBBKRZOGSA-N 2 1 378.004 4.374 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000414716683 824026115 /nfs/dbraw/zinc/02/61/15/824026115.db2.gz SNYFQXMAISHJLX-NRFANRHFSA-N 2 1 380.536 4.273 20 0 GIADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414850392 824041630 /nfs/dbraw/zinc/04/16/30/824041630.db2.gz SBGFAZOLCJZHKX-XMMPIXPASA-N 2 1 394.607 4.130 20 0 GIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC([NH3+])C4)CC3)c2c1C ZINC001164387215 718802242 /nfs/dbraw/zinc/80/22/42/718802242.db2.gz JBGOYEQORSORSD-UHFFFAOYSA-N 2 1 399.608 4.002 20 0 GIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1 ZINC001164427570 718946693 /nfs/dbraw/zinc/94/66/93/718946693.db2.gz FQFSTEJCZVVWOT-RJGXRXQPSA-N 2 1 376.548 4.094 20 0 GIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ccc2-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164681094 719620824 /nfs/dbraw/zinc/62/08/24/719620824.db2.gz AFUQLKMKCYHGLY-UHFFFAOYSA-N 2 1 395.938 4.074 20 0 GIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ccc2-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164681094 719620826 /nfs/dbraw/zinc/62/08/26/719620826.db2.gz AFUQLKMKCYHGLY-UHFFFAOYSA-N 2 1 395.938 4.074 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026158 721815549 /nfs/dbraw/zinc/81/55/49/721815549.db2.gz PIXMMAHZJFDBKN-BWAGFHJFSA-N 2 1 380.536 4.001 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995622 722204257 /nfs/dbraw/zinc/20/42/57/722204257.db2.gz OSASCPOJGZLUHW-HSZRJFAPSA-N 2 1 380.511 4.066 20 0 GIADMP COCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000570771131 823084753 /nfs/dbraw/zinc/08/47/53/823084753.db2.gz IPEFCEQAAUOOAH-UHFFFAOYSA-N 2 1 389.584 4.040 20 0 GIADMP CCC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000458960968 823111124 /nfs/dbraw/zinc/11/11/24/823111124.db2.gz HHMFSKLEEJQOPZ-NRFANRHFSA-N 2 1 394.648 4.039 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000459271223 823154444 /nfs/dbraw/zinc/15/44/44/823154444.db2.gz VXERXRYPGQRKSN-LJQANCHMSA-N 2 1 386.584 4.305 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000459271223 823154446 /nfs/dbraw/zinc/15/44/46/823154446.db2.gz VXERXRYPGQRKSN-LJQANCHMSA-N 2 1 386.584 4.305 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459271223 823154448 /nfs/dbraw/zinc/15/44/48/823154448.db2.gz VXERXRYPGQRKSN-LJQANCHMSA-N 2 1 386.584 4.305 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000459316671 823160358 /nfs/dbraw/zinc/16/03/58/823160358.db2.gz AQBFSYKOPUVBTK-MRXNPFEDSA-N 2 1 381.549 4.219 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459370277 823174818 /nfs/dbraw/zinc/17/48/18/823174818.db2.gz RFJFPFQKSWEGKN-UHFFFAOYSA-N 2 1 381.568 4.270 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459371519 823175054 /nfs/dbraw/zinc/17/50/54/823175054.db2.gz IGJOXDAILIAYDQ-FQEVSTJZSA-N 3 1 378.564 4.072 20 0 GIADMP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459401968 823184786 /nfs/dbraw/zinc/18/47/86/823184786.db2.gz OAEPLTDFTIHLBP-FQEVSTJZSA-N 2 1 389.421 4.369 20 0 GIADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413934 823187621 /nfs/dbraw/zinc/18/76/21/823187621.db2.gz YEGSFLQFTMYVBR-SFHVURJKSA-N 2 1 388.939 4.099 20 0 GIADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413934 823187624 /nfs/dbraw/zinc/18/76/24/823187624.db2.gz YEGSFLQFTMYVBR-SFHVURJKSA-N 2 1 388.939 4.099 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434481 823191467 /nfs/dbraw/zinc/19/14/67/823191467.db2.gz OTESZCITSAXNDO-RFWXGWTQSA-N 2 1 399.604 4.146 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434481 823191471 /nfs/dbraw/zinc/19/14/71/823191471.db2.gz OTESZCITSAXNDO-RFWXGWTQSA-N 2 1 399.604 4.146 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)cn1 ZINC000188134472 823191714 /nfs/dbraw/zinc/19/17/14/823191714.db2.gz OGWKAYIZQQOFDR-CQSZACIVSA-N 2 1 385.309 4.059 20 0 GIADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442388 823192740 /nfs/dbraw/zinc/19/27/40/823192740.db2.gz JKMAPBLJWXXAHZ-LAUBAEHRSA-N 2 1 395.513 4.305 20 0 GIADMP CCc1nnc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539937 823215577 /nfs/dbraw/zinc/21/55/77/823215577.db2.gz XCXCUNPFIXWDRY-QFIPXVFZSA-N 2 1 395.595 4.034 20 0 GIADMP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000176552842 823235378 /nfs/dbraw/zinc/23/53/78/823235378.db2.gz IKFBSBBNRAWRDA-UHFFFAOYSA-N 2 1 385.556 4.106 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)CC1 ZINC000571939972 823257509 /nfs/dbraw/zinc/25/75/09/823257509.db2.gz SFOMVLWUJXIGEQ-UHFFFAOYSA-N 2 1 399.510 4.221 20 0 GIADMP C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(-n2cncn2)cc1Cl ZINC000572209236 823300867 /nfs/dbraw/zinc/30/08/67/823300867.db2.gz SAYWJGOVYRGCKM-INIZCTEOSA-N 2 1 392.894 4.016 20 0 GIADMP C[NH+](C)Cc1ccnc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000176946787 823331421 /nfs/dbraw/zinc/33/14/21/823331421.db2.gz VQTSIRLUDPACQD-UHFFFAOYSA-N 2 1 388.515 4.028 20 0 GIADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1Cl ZINC000122385847 823347226 /nfs/dbraw/zinc/34/72/26/823347226.db2.gz MBNPUGYYQCXONU-OAHLLOKOSA-N 2 1 392.927 4.148 20 0 GIADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310439 823391769 /nfs/dbraw/zinc/39/17/69/823391769.db2.gz CZBAJHCNKPJWTG-ZWKOTPCHSA-N 2 1 390.877 4.216 20 0 GIADMP C[C@H](O)C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841352 823408140 /nfs/dbraw/zinc/40/81/40/823408140.db2.gz RCSJKSQWFOXUKU-NKKJXINNSA-N 2 1 378.560 4.328 20 0 GIADMP C[C@H](O)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841352 823408142 /nfs/dbraw/zinc/40/81/42/823408142.db2.gz RCSJKSQWFOXUKU-NKKJXINNSA-N 2 1 378.560 4.328 20 0 GIADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414490 /nfs/dbraw/zinc/41/44/90/823414490.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414491 /nfs/dbraw/zinc/41/44/91/823414491.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414492 /nfs/dbraw/zinc/41/44/92/823414492.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414493 /nfs/dbraw/zinc/41/44/93/823414493.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170683 823459539 /nfs/dbraw/zinc/45/95/39/823459539.db2.gz HRKTWNCUHKIDPL-IRLDBZIGSA-N 2 1 389.547 4.220 20 0 GIADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247750 823470544 /nfs/dbraw/zinc/47/05/44/823470544.db2.gz KVWJPMHUFAYFDX-NRFANRHFSA-N 2 1 380.532 4.033 20 0 GIADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247750 823470546 /nfs/dbraw/zinc/47/05/46/823470546.db2.gz KVWJPMHUFAYFDX-NRFANRHFSA-N 2 1 380.532 4.033 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@@H](C)O1 ZINC000177490238 823474812 /nfs/dbraw/zinc/47/48/12/823474812.db2.gz WCDHSTLKOXJAOQ-IAGOWNOFSA-N 2 1 389.565 4.114 20 0 GIADMP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030907153 820706834 /nfs/dbraw/zinc/70/68/34/820706834.db2.gz ARWSCLQDWVQIKK-IBGZPJMESA-N 2 1 392.572 4.234 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643978 821380067 /nfs/dbraw/zinc/38/00/67/821380067.db2.gz YICVAMGCYMEOKG-KDOFPFPSSA-N 2 1 379.331 4.411 20 0 GIADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180933168 821545198 /nfs/dbraw/zinc/54/51/98/821545198.db2.gz IOODDABTZWITBF-UHFFFAOYSA-N 2 1 395.469 4.083 20 0 GIADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995078 821581576 /nfs/dbraw/zinc/58/15/76/821581576.db2.gz GIQBBQSUHLGFJU-IBGZPJMESA-N 2 1 396.918 4.456 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995078 821581584 /nfs/dbraw/zinc/58/15/84/821581584.db2.gz GIQBBQSUHLGFJU-IBGZPJMESA-N 2 1 396.918 4.456 20 0 GIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)o2)cc1 ZINC000180996853 821583014 /nfs/dbraw/zinc/58/30/14/821583014.db2.gz RJZRXGFUANYPPF-QFIPXVFZSA-N 2 1 376.500 4.111 20 0 GIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)o2)cc1 ZINC000180996853 821583021 /nfs/dbraw/zinc/58/30/21/821583021.db2.gz RJZRXGFUANYPPF-QFIPXVFZSA-N 2 1 376.500 4.111 20 0 GIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000181409719 821810540 /nfs/dbraw/zinc/81/05/40/821810540.db2.gz ZAUCNNQCCZHPPW-FHWLQOOXSA-N 2 1 382.495 4.097 20 0 GIADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000181417914 821815831 /nfs/dbraw/zinc/81/58/31/821815831.db2.gz NCEOCQXTCREDGM-HKBOAZHASA-N 2 1 392.971 4.220 20 0 GIADMP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181659952 821928187 /nfs/dbraw/zinc/92/81/87/821928187.db2.gz NFWRIPXELKGYPX-XLIONFOSSA-N 2 1 397.544 4.084 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262053 822175459 /nfs/dbraw/zinc/17/54/59/822175459.db2.gz AJHYNEVYVFEYIK-UWJYYQICSA-N 2 1 393.556 4.228 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262053 822175466 /nfs/dbraw/zinc/17/54/66/822175466.db2.gz AJHYNEVYVFEYIK-UWJYYQICSA-N 2 1 393.556 4.228 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000182638701 822334469 /nfs/dbraw/zinc/33/44/69/822334469.db2.gz UTUMOTIRCVCHKQ-SFHVURJKSA-N 2 1 375.520 4.106 20 0 GIADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256866 822359530 /nfs/dbraw/zinc/35/95/30/822359530.db2.gz OIFLELGTCKXRIY-SFHVURJKSA-N 2 1 379.342 4.127 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000182825854 822373748 /nfs/dbraw/zinc/37/37/48/822373748.db2.gz MSRBXANKMWHZLL-RTBURBONSA-N 3 1 384.568 4.173 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000178500050 822385396 /nfs/dbraw/zinc/38/53/96/822385396.db2.gz LYKLTCHIKLEOKT-UHFFFAOYSA-N 2 1 383.511 4.431 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178695651 822403642 /nfs/dbraw/zinc/40/36/42/822403642.db2.gz WNOYRAZVFIEHQB-AWEZNQCLSA-N 2 1 394.441 4.312 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178784862 822409604 /nfs/dbraw/zinc/40/96/04/822409604.db2.gz LFZZVKHXRHAJRI-QGZVFWFLSA-N 2 1 378.314 4.238 20 0 GIADMP C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100621 822424415 /nfs/dbraw/zinc/42/44/15/822424415.db2.gz JEDABQCFPNBFPZ-UYAOXDASSA-N 2 1 393.616 4.266 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103035 822424706 /nfs/dbraw/zinc/42/47/06/822424706.db2.gz ZCBGWSQFPYVHLD-FXAWDEMLSA-N 2 1 399.583 4.438 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000183140662 822429737 /nfs/dbraw/zinc/42/97/37/822429737.db2.gz SBBCZNZDLRBUGI-GOSISDBHSA-N 2 1 388.515 4.023 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000183148856 822431471 /nfs/dbraw/zinc/43/14/71/822431471.db2.gz XSEHTMOGNMAPDQ-HNNXBMFYSA-N 2 1 382.895 4.432 20 0 GIADMP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183197053 822439858 /nfs/dbraw/zinc/43/98/58/822439858.db2.gz DFJCVRUEMHKYSK-FKAKGIQBSA-N 2 1 379.589 4.065 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000179395416 822476619 /nfs/dbraw/zinc/47/66/19/822476619.db2.gz WDMKVGAUOIHYEV-UHFFFAOYSA-N 2 1 395.482 4.009 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435167 822482213 /nfs/dbraw/zinc/48/22/13/822482213.db2.gz FRFDIMGGWSMLTN-XPIZARPCSA-N 2 1 383.565 4.141 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435167 822482214 /nfs/dbraw/zinc/48/22/14/822482214.db2.gz FRFDIMGGWSMLTN-XPIZARPCSA-N 2 1 383.565 4.141 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453319 822485179 /nfs/dbraw/zinc/48/51/79/822485179.db2.gz NXIMMXNPJRRCIC-UHFFFAOYSA-N 2 1 392.341 4.030 20 0 GIADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183550416 822493574 /nfs/dbraw/zinc/49/35/74/822493574.db2.gz GYBBIYSJIZROJY-DEOSSOPVSA-N 2 1 393.506 4.430 20 0 GIADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000183610814 822501033 /nfs/dbraw/zinc/50/10/33/822501033.db2.gz RSOBQSFRCKBRAA-RBUKOAKNSA-N 2 1 396.531 4.115 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674545 822509474 /nfs/dbraw/zinc/50/94/74/822509474.db2.gz UUATYXSIMFOSQF-ZIAGYGMSSA-N 2 1 384.430 4.137 20 0 GIADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687247 822511358 /nfs/dbraw/zinc/51/13/58/822511358.db2.gz VKSVIAQZRNJVFP-IRXDYDNUSA-N 2 1 392.503 4.176 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000183690219 822512105 /nfs/dbraw/zinc/51/21/05/822512105.db2.gz IAYYVGJSPRYZBS-GOSISDBHSA-N 2 1 397.544 4.004 20 0 GIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636183 822517322 /nfs/dbraw/zinc/51/73/22/822517322.db2.gz LOLLLPSRBCFBEX-SFHVURJKSA-N 2 1 378.495 4.062 20 0 GIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636183 822517325 /nfs/dbraw/zinc/51/73/25/822517325.db2.gz LOLLLPSRBCFBEX-SFHVURJKSA-N 2 1 378.495 4.062 20 0 GIADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)cc2)CC1 ZINC000046816405 822520687 /nfs/dbraw/zinc/52/06/87/822520687.db2.gz TVDTWCFYXFIQQI-XMMPIXPASA-N 2 1 391.559 4.028 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047306996 822564064 /nfs/dbraw/zinc/56/40/64/822564064.db2.gz ZGVLLMLCWCWUCN-UHFFFAOYSA-N 2 1 393.575 4.055 20 0 GIADMP CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184175466 822590972 /nfs/dbraw/zinc/59/09/72/822590972.db2.gz VXQGGIAPNMXZCX-DEOSSOPVSA-N 2 1 391.559 4.019 20 0 GIADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(OC)c1 ZINC000174452149 822791812 /nfs/dbraw/zinc/79/18/12/822791812.db2.gz MKGSSAIYHBDJMV-UHFFFAOYSA-N 2 1 380.488 4.219 20 0 GIADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174526629 822801206 /nfs/dbraw/zinc/80/12/06/822801206.db2.gz NAQNDFWNDSGIKZ-NRFANRHFSA-N 2 1 386.584 4.399 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663411 822808213 /nfs/dbraw/zinc/80/82/13/822808213.db2.gz PLGIATJFHKNLQM-CTNGQTDRSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663411 822808217 /nfs/dbraw/zinc/80/82/17/822808217.db2.gz PLGIATJFHKNLQM-CTNGQTDRSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677981 822809165 /nfs/dbraw/zinc/80/91/65/822809165.db2.gz URZOVTGVGAFFBK-JYJNAYRXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677981 822809169 /nfs/dbraw/zinc/80/91/69/822809169.db2.gz URZOVTGVGAFFBK-JYJNAYRXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697926 822811190 /nfs/dbraw/zinc/81/11/90/822811190.db2.gz HTPHQLYVOGISER-WFXMLNOXSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697926 822811193 /nfs/dbraw/zinc/81/11/93/822811193.db2.gz HTPHQLYVOGISER-WFXMLNOXSA-N 2 1 379.548 4.409 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710677 822812732 /nfs/dbraw/zinc/81/27/32/822812732.db2.gz HYFUIJISXNUJCA-DLBZAZTESA-N 2 1 377.960 4.138 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710677 822812736 /nfs/dbraw/zinc/81/27/36/822812736.db2.gz HYFUIJISXNUJCA-DLBZAZTESA-N 2 1 377.960 4.138 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722666 822814436 /nfs/dbraw/zinc/81/44/36/822814436.db2.gz QXZDEHOIYQIBEP-PMPSAXMXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722666 822814439 /nfs/dbraw/zinc/81/44/39/822814439.db2.gz QXZDEHOIYQIBEP-PMPSAXMXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725345 822814881 /nfs/dbraw/zinc/81/48/81/822814881.db2.gz KXCTXDWZOWUSNA-ABSDTBQOSA-N 2 1 389.971 4.078 20 0 GIADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725345 822814884 /nfs/dbraw/zinc/81/48/84/822814884.db2.gz KXCTXDWZOWUSNA-ABSDTBQOSA-N 2 1 389.971 4.078 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751920 822817755 /nfs/dbraw/zinc/81/77/55/822817755.db2.gz UGFOIUUYCMUXQO-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751920 822817757 /nfs/dbraw/zinc/81/77/57/822817757.db2.gz UGFOIUUYCMUXQO-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765245 822819049 /nfs/dbraw/zinc/81/90/49/822819049.db2.gz UGPCVDNQWLNSNO-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765245 822819052 /nfs/dbraw/zinc/81/90/52/822819052.db2.gz UGPCVDNQWLNSNO-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017289 822870052 /nfs/dbraw/zinc/87/00/52/822870052.db2.gz NCALHYGCWRYFGR-KRWDZBQOSA-N 2 1 399.604 4.275 20 0 GIADMP COc1cncc(/C=C/CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689991 822955715 /nfs/dbraw/zinc/95/57/15/822955715.db2.gz CZHXFBMIZQSDHJ-BVRWQAIYSA-N 2 1 379.548 4.384 20 0 GIADMP COc1cncc(/C=C/CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689991 822955716 /nfs/dbraw/zinc/95/57/16/822955716.db2.gz CZHXFBMIZQSDHJ-BVRWQAIYSA-N 2 1 379.548 4.384 20 0 GIADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961751 /nfs/dbraw/zinc/96/17/51/822961751.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961753 /nfs/dbraw/zinc/96/17/53/822961753.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961755 /nfs/dbraw/zinc/96/17/55/822961755.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961756 /nfs/dbraw/zinc/96/17/56/822961756.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP CCOc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(Br)c1OC ZINC000061003150 823572187 /nfs/dbraw/zinc/57/21/87/823572187.db2.gz LVDNZVVYPUCNRH-UHFFFAOYSA-N 2 1 399.373 4.255 20 0 GIADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000061285141 823589361 /nfs/dbraw/zinc/58/93/61/823589361.db2.gz OJAYBLCUYZDJQT-UHFFFAOYSA-N 2 1 395.572 4.084 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000062427100 823635185 /nfs/dbraw/zinc/63/51/85/823635185.db2.gz HBIZYPQZBGRZLG-SFHVURJKSA-N 2 1 380.561 4.421 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000062427019 823635204 /nfs/dbraw/zinc/63/52/04/823635204.db2.gz JZMOTJGBYVBMMS-FQEVSTJZSA-N 2 1 394.588 4.480 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479291 823689351 /nfs/dbraw/zinc/68/93/51/823689351.db2.gz CMBIQXCSPAOGAA-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479291 823689352 /nfs/dbraw/zinc/68/93/52/823689352.db2.gz CMBIQXCSPAOGAA-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823732988 /nfs/dbraw/zinc/73/29/88/823732988.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823732991 /nfs/dbraw/zinc/73/29/91/823732991.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823732996 /nfs/dbraw/zinc/73/29/96/823732996.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 2 1 376.342 4.159 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452191 823734227 /nfs/dbraw/zinc/73/42/27/823734227.db2.gz BEXAANIFUGRINX-LJQANCHMSA-N 2 1 389.465 4.430 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452191 823734232 /nfs/dbraw/zinc/73/42/32/823734232.db2.gz BEXAANIFUGRINX-LJQANCHMSA-N 2 1 389.465 4.430 20 0 GIADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574519324 823754186 /nfs/dbraw/zinc/75/41/86/823754186.db2.gz OGOXYZFIWGLPPJ-ICSRJNTNSA-N 2 1 393.531 4.127 20 0 GIADMP C[C@H](CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559130 823766077 /nfs/dbraw/zinc/76/60/77/823766077.db2.gz SMPJHAOYYOCPIY-RCZVLFRGSA-N 2 1 377.576 4.072 20 0 GIADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164065943 823774630 /nfs/dbraw/zinc/77/46/30/823774630.db2.gz WCADYSDLJLZLAE-SFHVURJKSA-N 2 1 383.536 4.193 20 0 GIADMP CCCCN(C(=O)CCn1cc[nH+]c1C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462005233 823791836 /nfs/dbraw/zinc/79/18/36/823791836.db2.gz HMHUWDOFFQHSNB-UHFFFAOYSA-N 2 1 376.589 4.335 20 0 GIADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164513537 823806813 /nfs/dbraw/zinc/80/68/13/823806813.db2.gz UPVUIQHIHRQKML-FQEVSTJZSA-N 2 1 397.563 4.182 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000164567757 823808909 /nfs/dbraw/zinc/80/89/09/823808909.db2.gz SCQBVQJUJKHYHJ-HXUWFJFHSA-N 2 1 391.559 4.321 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CCCn2ccnc2C)c1 ZINC000574745563 823817106 /nfs/dbraw/zinc/81/71/06/823817106.db2.gz HRMMTZNWUJFTRQ-UHFFFAOYSA-N 2 1 395.551 4.341 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000574745563 823817114 /nfs/dbraw/zinc/81/71/14/823817114.db2.gz HRMMTZNWUJFTRQ-UHFFFAOYSA-N 2 1 395.551 4.341 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000574745563 823817123 /nfs/dbraw/zinc/81/71/23/823817123.db2.gz HRMMTZNWUJFTRQ-UHFFFAOYSA-N 2 1 395.551 4.341 20 0 GIADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000165007203 823829835 /nfs/dbraw/zinc/82/98/35/823829835.db2.gz JGNWKUSRLZGCNG-SQVLJLFZSA-N 2 1 398.620 4.026 20 0 GIADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000165007203 823829843 /nfs/dbraw/zinc/82/98/43/823829843.db2.gz JGNWKUSRLZGCNG-SQVLJLFZSA-N 2 1 398.620 4.026 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307582 823843142 /nfs/dbraw/zinc/84/31/42/823843142.db2.gz RUHKPYIXYSRTEF-FPOVZHCZSA-N 2 1 380.532 4.063 20 0 GIADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c2ccccc12 ZINC000165447674 823849347 /nfs/dbraw/zinc/84/93/47/823849347.db2.gz SUQRBIFHVHHDLO-LJQANCHMSA-N 2 1 390.527 4.359 20 0 GIADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c2ccccc12 ZINC000165447674 823849353 /nfs/dbraw/zinc/84/93/53/823849353.db2.gz SUQRBIFHVHHDLO-LJQANCHMSA-N 2 1 390.527 4.359 20 0 GIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137289 823870541 /nfs/dbraw/zinc/87/05/41/823870541.db2.gz IWXVGEFTBSYSFK-RCZVLFRGSA-N 2 1 378.560 4.451 20 0 GIADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192195290 823898206 /nfs/dbraw/zinc/89/82/06/823898206.db2.gz AREXAQLNAAZDDH-UHFFFAOYSA-N 2 1 389.765 4.082 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901907 823898296 /nfs/dbraw/zinc/89/82/96/823898296.db2.gz FXVFFSKSURWXPG-SIFCLUCFSA-N 2 1 384.395 4.276 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053508 823900769 /nfs/dbraw/zinc/90/07/69/823900769.db2.gz ODPLAAZJQLOHNJ-GPXNEJASSA-N 2 1 394.584 4.477 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053508 823900777 /nfs/dbraw/zinc/90/07/77/823900777.db2.gz ODPLAAZJQLOHNJ-GPXNEJASSA-N 2 1 394.584 4.477 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053505 823900879 /nfs/dbraw/zinc/90/08/79/823900879.db2.gz ODPLAAZJQLOHNJ-AKFKNWHVSA-N 2 1 394.584 4.477 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053505 823900886 /nfs/dbraw/zinc/90/08/86/823900886.db2.gz ODPLAAZJQLOHNJ-AKFKNWHVSA-N 2 1 394.584 4.477 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194550 823926077 /nfs/dbraw/zinc/92/60/77/823926077.db2.gz WIPOQHJGLLTSHH-AGLNEOCTSA-N 2 1 398.572 4.106 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194550 823926082 /nfs/dbraw/zinc/92/60/82/823926082.db2.gz WIPOQHJGLLTSHH-AGLNEOCTSA-N 2 1 398.572 4.106 20 0 GIADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000414265123 823945731 /nfs/dbraw/zinc/94/57/31/823945731.db2.gz QTVIMIBDWHDNLQ-UHFFFAOYSA-N 2 1 378.438 4.136 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1OC ZINC000126858660 823968144 /nfs/dbraw/zinc/96/81/44/823968144.db2.gz ONTNDNIXOXVWQT-QZTJIDSGSA-N 2 1 388.577 4.466 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1OC ZINC000126858660 823968147 /nfs/dbraw/zinc/96/81/47/823968147.db2.gz ONTNDNIXOXVWQT-QZTJIDSGSA-N 2 1 388.577 4.466 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4c(cccc4OC)C3)CC2)cs1 ZINC000192442352 823994750 /nfs/dbraw/zinc/99/47/50/823994750.db2.gz DNNOOSOCTILEMD-IBGZPJMESA-N 2 1 399.604 4.073 20 0 GIADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997070 /nfs/dbraw/zinc/99/70/70/823997070.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997077 /nfs/dbraw/zinc/99/70/77/823997077.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997082 /nfs/dbraw/zinc/99/70/82/823997082.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997089 /nfs/dbraw/zinc/99/70/89/823997089.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 2 1 384.527 4.098 20 0 GIADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414790674 824036563 /nfs/dbraw/zinc/03/65/63/824036563.db2.gz PNXFRJOUXKKGPJ-UHFFFAOYSA-N 2 1 386.499 4.186 20 0 GIADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414845895 824041120 /nfs/dbraw/zinc/04/11/20/824041120.db2.gz UBILERMUOWFSRK-ZDUSSCGKSA-N 2 1 380.319 4.191 20 0 GIADMP Fc1ccc(C(C[NH2+]CCC[NH2+]Cc2cccnc2)c2ccc(F)cc2)cc1 ZINC000414862629 824043134 /nfs/dbraw/zinc/04/31/34/824043134.db2.gz VSAPJDPNYDWULR-UHFFFAOYSA-N 2 1 381.470 4.261 20 0 GIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948760 824053266 /nfs/dbraw/zinc/05/32/66/824053266.db2.gz YZVVHVRHFBKNDG-YJYMSZOUSA-N 2 1 392.330 4.333 20 0 GIADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515641 823048874 /nfs/dbraw/zinc/04/88/74/823048874.db2.gz MEXZRRDKKAHFTK-PMACEKPBSA-N 2 1 380.532 4.192 20 0 GIADMP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(Cl)cc1 ZINC000570592689 823059110 /nfs/dbraw/zinc/05/91/10/823059110.db2.gz GJTJRNOGCUZGPZ-YPIGPJMWSA-N 2 1 384.951 4.264 20 0 GIADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCc1ccncc1 ZINC000120858101 823078093 /nfs/dbraw/zinc/07/80/93/823078093.db2.gz HOUHTCRPHFBQSY-QFIPXVFZSA-N 2 1 397.563 4.127 20 0 GIADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000187536639 823084209 /nfs/dbraw/zinc/08/42/09/823084209.db2.gz YUXPLWAUDHGQTF-RBBKRZOGSA-N 2 1 382.573 4.197 20 0 GIADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000056156171 823091265 /nfs/dbraw/zinc/09/12/65/823091265.db2.gz RBWXAPUODYBYAV-ICSRJNTNSA-N 2 1 379.548 4.344 20 0 GIADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000187694438 823114734 /nfs/dbraw/zinc/11/47/34/823114734.db2.gz QHMNFBGKJGJBCZ-SJORKVTESA-N 2 1 384.524 4.088 20 0 GIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137465 823139478 /nfs/dbraw/zinc/13/94/78/823139478.db2.gz QKIIVIZGCRMCGN-BSIFCXSSSA-N 2 1 397.588 4.174 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459371528 823175147 /nfs/dbraw/zinc/17/51/47/823175147.db2.gz IHQDYNAADWWFME-HXUWFJFHSA-N 3 1 378.564 4.215 20 0 GIADMP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1Cl ZINC000459405060 823185575 /nfs/dbraw/zinc/18/55/75/823185575.db2.gz ATRICZBEMZEGFO-UHFFFAOYSA-N 2 1 382.379 4.174 20 0 GIADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442378 823192596 /nfs/dbraw/zinc/19/25/96/823192596.db2.gz JKMAPBLJWXXAHZ-DYESRHJHSA-N 2 1 395.513 4.305 20 0 GIADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(Br)c1O ZINC000459441813 823192704 /nfs/dbraw/zinc/19/27/04/823192704.db2.gz OYZDGRJXHXWQCI-UHFFFAOYSA-N 2 1 397.357 4.050 20 0 GIADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442391 823192735 /nfs/dbraw/zinc/19/27/35/823192735.db2.gz JKMAPBLJWXXAHZ-UWJYYQICSA-N 2 1 395.513 4.305 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000571533569 823197277 /nfs/dbraw/zinc/19/72/77/823197277.db2.gz VWOSYRRYXXDUJW-LJQANCHMSA-N 2 1 381.564 4.015 20 0 GIADMP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471456 823199231 /nfs/dbraw/zinc/19/92/31/823199231.db2.gz TZLSLNKGXBACDU-NHCUHLMSSA-N 2 1 379.951 4.219 20 0 GIADMP Clc1cc(Cl)cc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459476698 823200453 /nfs/dbraw/zinc/20/04/53/823200453.db2.gz HAVGRQXFINHFTA-UHFFFAOYSA-N 2 1 382.379 4.174 20 0 GIADMP O=C1CC[C@H](C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517896 823209739 /nfs/dbraw/zinc/20/97/39/823209739.db2.gz GDHGNIFGKOOXEH-UPVQGACJSA-N 2 1 397.607 4.060 20 0 GIADMP Clc1ccc(CC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581297 823224976 /nfs/dbraw/zinc/22/49/76/823224976.db2.gz BUCSVKNVTLHKJH-QFIPXVFZSA-N 2 1 398.978 4.401 20 0 GIADMP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC2CC[NH+](C3CC3)CC2)c1 ZINC000459722995 823256823 /nfs/dbraw/zinc/25/68/23/823256823.db2.gz AJHOBUUDMGAZJW-LOSJGSFVSA-N 2 1 393.550 4.010 20 0 GIADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726695 823257186 /nfs/dbraw/zinc/25/71/86/823257186.db2.gz GNAUPFYZEHAUPJ-HNNXBMFYSA-N 2 1 379.957 4.197 20 0 GIADMP CC[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC000572327281 823321582 /nfs/dbraw/zinc/32/15/82/823321582.db2.gz AIWKLOFDPJFJRI-RUZDIDTESA-N 2 1 396.550 4.300 20 0 GIADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889349 823345443 /nfs/dbraw/zinc/34/54/43/823345443.db2.gz LHKJOIIQDIQDSV-SFHVURJKSA-N 2 1 389.609 4.324 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCc3ccc(F)cc3F)CC2)oc1C ZINC000572548791 823358916 /nfs/dbraw/zinc/35/89/16/823358916.db2.gz PXXRWMMGXLMNOC-OAHLLOKOSA-N 2 1 391.506 4.393 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccc2n1 ZINC000189242671 823380846 /nfs/dbraw/zinc/38/08/46/823380846.db2.gz VSIROSOXYYDRHM-BGYRXZFFSA-N 2 1 389.543 4.442 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2ccnc12 ZINC000572815137 823404591 /nfs/dbraw/zinc/40/45/91/823404591.db2.gz HGSFTXNIBLOGDZ-NQIIRXRSSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000572815137 823404594 /nfs/dbraw/zinc/40/45/94/823404594.db2.gz HGSFTXNIBLOGDZ-NQIIRXRSSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000572815137 823404596 /nfs/dbraw/zinc/40/45/96/823404596.db2.gz HGSFTXNIBLOGDZ-NQIIRXRSSA-N 2 1 391.519 4.160 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000123043554 823452543 /nfs/dbraw/zinc/45/25/43/823452543.db2.gz CYMWBVVHLFKBFV-KRWDZBQOSA-N 2 1 395.938 4.367 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170682 823459326 /nfs/dbraw/zinc/45/93/26/823459326.db2.gz HRKTWNCUHKIDPL-IFMALSPDSA-N 2 1 389.547 4.220 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1c(F)cccc1F ZINC000028899403 820369894 /nfs/dbraw/zinc/36/98/94/820369894.db2.gz ZMWFYBUAIIZCTL-INIZCTEOSA-N 2 1 387.474 4.068 20 0 GIADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000190048672 823530470 /nfs/dbraw/zinc/53/04/70/823530470.db2.gz YGQOYRAIHIJAAD-NRFANRHFSA-N 2 1 397.529 4.130 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000180753056 821434729 /nfs/dbraw/zinc/43/47/29/821434729.db2.gz ZVVZVTHLUTZIIW-GOSISDBHSA-N 2 1 388.515 4.154 20 0 GIADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Oc4ccccc4)o3)CC2)nc(C)[nH+]1 ZINC000180995081 821581707 /nfs/dbraw/zinc/58/17/07/821581707.db2.gz SGWZUVOKFBKPQR-UHFFFAOYSA-N 2 1 378.476 4.237 20 0 GIADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000181417875 821815956 /nfs/dbraw/zinc/81/59/56/821815956.db2.gz NCEOCQXTCREDGM-NJYVYQBISA-N 2 1 392.971 4.220 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000181601470 821897915 /nfs/dbraw/zinc/89/79/15/821897915.db2.gz WNEHAEZIXDXTCF-SFHVURJKSA-N 2 1 379.504 4.447 20 0 GIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2o1 ZINC000181733231 821967509 /nfs/dbraw/zinc/96/75/09/821967509.db2.gz HBEAQFPAUCRXFU-RHSMWYFYSA-N 2 1 395.341 4.083 20 0 GIADMP CCCCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741015 821971519 /nfs/dbraw/zinc/97/15/19/821971519.db2.gz TZBGOJVJGSCCTE-PMACEKPBSA-N 2 1 377.573 4.077 20 0 GIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260216 822173982 /nfs/dbraw/zinc/17/39/82/822173982.db2.gz POFSHNVLVNEUGG-UPVQGACJSA-N 2 1 394.559 4.380 20 0 GIADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266172 822177986 /nfs/dbraw/zinc/17/79/86/822177986.db2.gz JZZUFIPHWJMFEA-JXFKEZNVSA-N 2 1 388.939 4.156 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266119 822178279 /nfs/dbraw/zinc/17/82/79/822178279.db2.gz FAGIFOSGXFLFMA-BEFAXECRSA-N 2 1 392.515 4.419 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc12 ZINC000182270848 822181334 /nfs/dbraw/zinc/18/13/34/822181334.db2.gz DUYNYIXUBZLBLW-RXVVDRJESA-N 2 1 390.527 4.266 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc12 ZINC000182270879 822181491 /nfs/dbraw/zinc/18/14/91/822181491.db2.gz DUYNYIXUBZLBLW-NQIIRXRSSA-N 2 1 390.527 4.266 20 0 GIADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182273411 822181980 /nfs/dbraw/zinc/18/19/80/822181980.db2.gz JSVMHYULUGLPLZ-KXBFYZLASA-N 2 1 387.593 4.166 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000182312864 822198954 /nfs/dbraw/zinc/19/89/54/822198954.db2.gz VVEDDZWLQDXSIW-LJQANCHMSA-N 3 1 375.601 4.308 20 0 GIADMP C[N@@H+](CCCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000453420120 822360389 /nfs/dbraw/zinc/36/03/89/822360389.db2.gz ZEIXPTSRRMXDKU-FQEVSTJZSA-N 2 1 395.385 4.381 20 0 GIADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000182761109 822363654 /nfs/dbraw/zinc/36/36/54/822363654.db2.gz MVJMJFULIHOFAY-UHFFFAOYSA-N 2 1 399.501 4.478 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142942 822430515 /nfs/dbraw/zinc/43/05/15/822430515.db2.gz RBFIDHNVMQZFMT-ZIAGYGMSSA-N 2 1 384.430 4.137 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007942 822433839 /nfs/dbraw/zinc/43/38/39/822433839.db2.gz JUEBRGJROSXLKH-LJQANCHMSA-N 2 1 394.563 4.444 20 0 GIADMP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179526905 822497369 /nfs/dbraw/zinc/49/73/69/822497369.db2.gz ACPVFQYHCLEAFP-UONOGXRCSA-N 2 1 377.248 4.184 20 0 GIADMP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000179526905 822497370 /nfs/dbraw/zinc/49/73/70/822497370.db2.gz ACPVFQYHCLEAFP-UONOGXRCSA-N 2 1 377.248 4.184 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672157 822508973 /nfs/dbraw/zinc/50/89/73/822508973.db2.gz DDSFQDGASXQDDN-OPAMFIHVSA-N 2 1 399.922 4.062 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672291 822509003 /nfs/dbraw/zinc/50/90/03/822509003.db2.gz WBRPAPGVZCWKJS-QZTJIDSGSA-N 2 1 376.504 4.475 20 0 GIADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183673111 822509195 /nfs/dbraw/zinc/50/91/95/822509195.db2.gz HAYVGXDYZPYXRW-HOTGVXAUSA-N 2 1 390.487 4.061 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682828 822510665 /nfs/dbraw/zinc/51/06/65/822510665.db2.gz UAOIITRDYQSQDI-AEFFLSMTSA-N 2 1 384.524 4.088 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682862 822510685 /nfs/dbraw/zinc/51/06/85/822510685.db2.gz UAOIITRDYQSQDI-SJLPKXTDSA-N 2 1 384.524 4.088 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000183690197 822512022 /nfs/dbraw/zinc/51/20/22/822512022.db2.gz IAYYVGJSPRYZBS-SFHVURJKSA-N 2 1 397.544 4.004 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183765581 822524993 /nfs/dbraw/zinc/52/49/93/822524993.db2.gz GKXHIJXKCXHMNY-RRWXTXHCSA-N 2 1 384.486 4.102 20 0 GIADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000179698464 822529973 /nfs/dbraw/zinc/52/99/73/822529973.db2.gz BEWCLRYQUODYCO-UHFFFAOYSA-N 2 1 391.556 4.415 20 0 GIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956300 822585464 /nfs/dbraw/zinc/58/54/64/822585464.db2.gz PTVOQNWBBOVLKZ-JYWFKMLOSA-N 2 1 379.951 4.219 20 0 GIADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccc(F)cc2C1 ZINC000184520307 822650005 /nfs/dbraw/zinc/65/00/05/822650005.db2.gz DTFNKVRCRKDVAN-HSZRJFAPSA-N 2 1 387.543 4.006 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180298734 822658949 /nfs/dbraw/zinc/65/89/49/822658949.db2.gz YCUVTSFNRBYEOK-UHFFFAOYSA-N 2 1 389.584 4.452 20 0 GIADMP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000455835291 822733905 /nfs/dbraw/zinc/73/39/05/822733905.db2.gz ACFMCGUMDHSOIZ-ZQMYSKGWSA-N 2 1 392.547 4.020 20 0 GIADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000185180545 822746321 /nfs/dbraw/zinc/74/63/21/822746321.db2.gz DMDIPCQMMDJSJL-UHFFFAOYSA-N 2 1 397.526 4.349 20 0 GIADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc21 ZINC000455918343 822749171 /nfs/dbraw/zinc/74/91/71/822749171.db2.gz LBUITSYMHYAXEH-QHCPKHFHSA-N 2 1 398.595 4.355 20 0 GIADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000455939958 822753786 /nfs/dbraw/zinc/75/37/86/822753786.db2.gz UAOZBFDLQCKKIZ-ODOSVJCGSA-N 2 1 392.547 4.020 20 0 GIADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424038 822788241 /nfs/dbraw/zinc/78/82/41/822788241.db2.gz SNBPCQHPRRIHRC-LJQANCHMSA-N 2 1 379.331 4.281 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675549 822809090 /nfs/dbraw/zinc/80/90/90/822809090.db2.gz QJBMFTWZAKTGJO-PMACEKPBSA-N 2 1 395.547 4.055 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675549 822809093 /nfs/dbraw/zinc/80/90/93/822809093.db2.gz QJBMFTWZAKTGJO-PMACEKPBSA-N 2 1 395.547 4.055 20 0 GIADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000174598313 822810188 /nfs/dbraw/zinc/81/01/88/822810188.db2.gz VKXORALDDXRONH-BRTIRZTQSA-N 2 1 387.531 4.039 20 0 GIADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003227 822868797 /nfs/dbraw/zinc/86/87/97/822868797.db2.gz KCAMPINJHMAIAF-YADHBBJMSA-N 2 1 379.548 4.099 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897174 /nfs/dbraw/zinc/89/71/74/822897174.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 1 399.373 4.019 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897179 /nfs/dbraw/zinc/89/71/79/822897179.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 1 399.373 4.019 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000569255098 822897250 /nfs/dbraw/zinc/89/72/50/822897250.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 1 399.373 4.019 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000569255098 822897254 /nfs/dbraw/zinc/89/72/54/822897254.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 1 399.373 4.019 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000569451756 822925234 /nfs/dbraw/zinc/92/52/34/822925234.db2.gz CDWGPJRUISJFPL-XXBNENTESA-N 2 1 379.548 4.157 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961672 822987829 /nfs/dbraw/zinc/98/78/29/822987829.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961672 822987831 /nfs/dbraw/zinc/98/78/31/822987831.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961672 822987834 /nfs/dbraw/zinc/98/78/34/822987834.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961672 822987837 /nfs/dbraw/zinc/98/78/37/822987837.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 2 1 391.559 4.081 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000570066587 823002339 /nfs/dbraw/zinc/00/23/39/823002339.db2.gz AIYAVDLKRGGHIK-WDSOQIARSA-N 2 1 394.401 4.107 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000570066587 823002342 /nfs/dbraw/zinc/00/23/42/823002342.db2.gz AIYAVDLKRGGHIK-WDSOQIARSA-N 2 1 394.401 4.107 20 0 GIADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000570322595 823025719 /nfs/dbraw/zinc/02/57/19/823025719.db2.gz DHUPJYKPBXOVNT-YNEXMFEJSA-N 2 1 386.580 4.390 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123854645 823546089 /nfs/dbraw/zinc/54/60/89/823546089.db2.gz NZRUBRNBMJVPAQ-DYESRHJHSA-N 2 1 380.536 4.013 20 0 GIADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262499 823560862 /nfs/dbraw/zinc/56/08/62/823560862.db2.gz HQTKFEQSTCATCX-JOCHJYFZSA-N 2 1 385.596 4.047 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000461107080 823578813 /nfs/dbraw/zinc/57/88/13/823578813.db2.gz IQTTVMMYPKNZPR-ZFNNOLHJSA-N 2 1 386.580 4.245 20 0 GIADMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411511031 823582631 /nfs/dbraw/zinc/58/26/31/823582631.db2.gz HVUOGMXWZRVMDZ-NRFANRHFSA-N 2 1 377.536 4.346 20 0 GIADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000411547341 823587326 /nfs/dbraw/zinc/58/73/26/823587326.db2.gz BZCRUXBCZVNLEX-UYAOXDASSA-N 2 1 397.588 4.237 20 0 GIADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000411560643 823588139 /nfs/dbraw/zinc/58/81/39/823588139.db2.gz YESWQTDYJHBLKF-DEOSSOPVSA-N 2 1 392.522 4.424 20 0 GIADMP CN1CC[C@@H](C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1cccnc1 ZINC000411577862 823589045 /nfs/dbraw/zinc/58/90/45/823589045.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 2 1 392.591 4.192 20 0 GIADMP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411702401 823597977 /nfs/dbraw/zinc/59/79/77/823597977.db2.gz QESIUXVNJCAUJE-PKTZIBPZSA-N 2 1 376.548 4.226 20 0 GIADMP CC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000061558271 823603813 /nfs/dbraw/zinc/60/38/13/823603813.db2.gz BJXZCTPZWOQFCA-UHFFFAOYSA-N 2 1 389.547 4.146 20 0 GIADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3C)CC2)nc(C)[nH+]1 ZINC000191014927 823638338 /nfs/dbraw/zinc/63/83/38/823638338.db2.gz CAZVWELBAKQRGD-UHFFFAOYSA-N 2 1 378.442 4.179 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191224037 823660777 /nfs/dbraw/zinc/66/07/77/823660777.db2.gz YFBGKSFRLNMZGD-CEXWTWQISA-N 2 1 384.568 4.232 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491361 823690566 /nfs/dbraw/zinc/69/05/66/823690566.db2.gz LTJOGTKMZBVNRT-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491361 823690567 /nfs/dbraw/zinc/69/05/67/823690567.db2.gz LTJOGTKMZBVNRT-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744795 /nfs/dbraw/zinc/74/47/95/823744795.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744804 /nfs/dbraw/zinc/74/48/04/823744804.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744813 /nfs/dbraw/zinc/74/48/13/823744813.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 2 1 380.532 4.190 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163779683 823748162 /nfs/dbraw/zinc/74/81/62/823748162.db2.gz RQJCMMLJKUUWBI-QGZVFWFLSA-N 2 1 395.526 4.407 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163933119 823761991 /nfs/dbraw/zinc/76/19/91/823761991.db2.gz SCTKBFFKSHIPOH-GOSISDBHSA-N 2 1 386.511 4.166 20 0 GIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997601 823763158 /nfs/dbraw/zinc/76/31/58/823763158.db2.gz OMZOJSBXPMYWFN-KRWDZBQOSA-N 2 1 381.967 4.154 20 0 GIADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1 ZINC000163947691 823764171 /nfs/dbraw/zinc/76/41/71/823764171.db2.gz ZGMKBAVUHPZXIE-DEOSSOPVSA-N 2 1 382.548 4.417 20 0 GIADMP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000164017706 823770816 /nfs/dbraw/zinc/77/08/16/823770816.db2.gz AGSDUWZZNIATPU-NRFANRHFSA-N 2 1 395.591 4.464 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc([S@](C)=O)cc1 ZINC000164511215 823805736 /nfs/dbraw/zinc/80/57/36/823805736.db2.gz LCLSWEDADCKMAR-KWMCUTETSA-N 2 1 396.556 4.500 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523613 823806526 /nfs/dbraw/zinc/80/65/26/823806526.db2.gz ZNHRFQMYWMLAAQ-QGZVFWFLSA-N 2 1 378.472 4.491 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000164628615 823813268 /nfs/dbraw/zinc/81/32/68/823813268.db2.gz ZSNRXCAQPXPAKH-QGZVFWFLSA-N 2 1 378.314 4.238 20 0 GIADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180428 823932826 /nfs/dbraw/zinc/93/28/26/823932826.db2.gz VGYAFLMFMQNKCY-GGAORHGYSA-N 2 1 389.543 4.271 20 0 GIADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180428 823932835 /nfs/dbraw/zinc/93/28/35/823932835.db2.gz VGYAFLMFMQNKCY-GGAORHGYSA-N 2 1 389.543 4.271 20 0 GIADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000575219176 823943472 /nfs/dbraw/zinc/94/34/72/823943472.db2.gz XPCBYOWUQMEJEB-GBHCCQNKSA-N 2 1 397.651 4.406 20 0 GIADMP Fc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342625 823961846 /nfs/dbraw/zinc/96/18/46/823961846.db2.gz ITUBULANWGMBDZ-CJTFWIGWSA-N 2 1 379.523 4.190 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853106 823966883 /nfs/dbraw/zinc/96/68/83/823966883.db2.gz AWXDWRIZQIDATI-RBUKOAKNSA-N 2 1 380.561 4.497 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853106 823966896 /nfs/dbraw/zinc/96/68/96/823966896.db2.gz AWXDWRIZQIDATI-RBUKOAKNSA-N 2 1 380.561 4.497 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000414703010 824025085 /nfs/dbraw/zinc/02/50/85/824025085.db2.gz BSEHXDLGIBGOMM-WMQCIHAUSA-N 2 1 384.568 4.042 20 0 GIADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414845893 824041145 /nfs/dbraw/zinc/04/11/45/824041145.db2.gz UBILERMUOWFSRK-CYBMUJFWSA-N 2 1 380.319 4.191 20 0 GIADMP FC(F)(F)c1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc(C(F)(F)F)c1 ZINC000414878508 824044319 /nfs/dbraw/zinc/04/43/19/824044319.db2.gz NYEXXWIYXWWRFD-UHFFFAOYSA-N 2 1 391.359 4.389 20 0 GIADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948758 824053413 /nfs/dbraw/zinc/05/34/13/824053413.db2.gz YZVVHVRHFBKNDG-DJJJIMSYSA-N 2 1 392.330 4.333 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359994431 206276718 /nfs/dbraw/zinc/27/67/18/206276718.db2.gz BMGOROQQRIOKNT-PXNSSMCTSA-N 2 1 383.502 4.046 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000359994431 206276723 /nfs/dbraw/zinc/27/67/23/206276723.db2.gz BMGOROQQRIOKNT-PXNSSMCTSA-N 2 1 383.502 4.046 20 0 GIADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681198 719621396 /nfs/dbraw/zinc/62/13/96/719621396.db2.gz CMFHXAHOCFZWCR-UHFFFAOYSA-N 2 1 395.938 4.074 20 0 GIADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681198 719621399 /nfs/dbraw/zinc/62/13/99/719621399.db2.gz CMFHXAHOCFZWCR-UHFFFAOYSA-N 2 1 395.938 4.074 20 0 GIADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164845349 720682947 /nfs/dbraw/zinc/68/29/47/720682947.db2.gz YLEQCNHBMDSCKB-QFIPXVFZSA-N 2 1 391.559 4.220 20 0 GIADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164845349 720682958 /nfs/dbraw/zinc/68/29/58/720682958.db2.gz YLEQCNHBMDSCKB-QFIPXVFZSA-N 2 1 391.559 4.220 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839787 720696593 /nfs/dbraw/zinc/69/65/93/720696593.db2.gz BVGPHEDZFZBTKT-NRFANRHFSA-N 2 1 395.547 4.129 20 0 GIADMP Cc1[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc2[nH]ccc21 ZINC001164910170 721759226 /nfs/dbraw/zinc/75/92/26/721759226.db2.gz PFTITVOCAZNKEP-UHFFFAOYSA-N 2 1 387.487 4.054 20 0 GIADMP Cc1[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc2[nH]ccc21 ZINC001164910170 721759231 /nfs/dbraw/zinc/75/92/31/721759231.db2.gz PFTITVOCAZNKEP-UHFFFAOYSA-N 2 1 387.487 4.054 20 0 GIADMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc2[nH]ccc21 ZINC001165026773 721821154 /nfs/dbraw/zinc/82/11/54/721821154.db2.gz QEPLTZAUTKVIKN-WEYGHZABSA-N 2 1 375.520 4.003 20 0 GIADMP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000570592687 823059068 /nfs/dbraw/zinc/05/90/68/823059068.db2.gz GJTJRNOGCUZGPZ-XBYSBRQOSA-N 2 1 384.951 4.264 20 0 GIADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154017 823090558 /nfs/dbraw/zinc/09/05/58/823090558.db2.gz NLDZBBMBYMVDOH-DVECYGJZSA-N 2 1 391.559 4.028 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154017 823090565 /nfs/dbraw/zinc/09/05/65/823090565.db2.gz NLDZBBMBYMVDOH-DVECYGJZSA-N 2 1 391.559 4.028 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000175995050 823091121 /nfs/dbraw/zinc/09/11/21/823091121.db2.gz XUSUHCBSHXAISX-INIZCTEOSA-N 2 1 377.492 4.125 20 0 GIADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCCOc1ccc(C)cc1 ZINC000121196422 823136613 /nfs/dbraw/zinc/13/66/13/823136613.db2.gz CYCBOCMOXXSELN-UHFFFAOYSA-N 2 1 398.547 4.035 20 0 GIADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225657 823142260 /nfs/dbraw/zinc/14/22/60/823142260.db2.gz TZNCJEDZZWGSQP-WMZHIEFXSA-N 2 1 394.563 4.265 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000459271220 823154475 /nfs/dbraw/zinc/15/44/75/823154475.db2.gz VXERXRYPGQRKSN-IBGZPJMESA-N 2 1 386.584 4.305 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000459271220 823154476 /nfs/dbraw/zinc/15/44/76/823154476.db2.gz VXERXRYPGQRKSN-IBGZPJMESA-N 2 1 386.584 4.305 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459271220 823154477 /nfs/dbraw/zinc/15/44/77/823154477.db2.gz VXERXRYPGQRKSN-IBGZPJMESA-N 2 1 386.584 4.305 20 0 GIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301286 823158743 /nfs/dbraw/zinc/15/87/43/823158743.db2.gz CMCMVMDRGDMZHD-UHFFFAOYSA-N 2 1 381.568 4.365 20 0 GIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301286 823158749 /nfs/dbraw/zinc/15/87/49/823158749.db2.gz CMCMVMDRGDMZHD-UHFFFAOYSA-N 2 1 381.568 4.365 20 0 GIADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000571427860 823181256 /nfs/dbraw/zinc/18/12/56/823181256.db2.gz PYXWPAQAQUQOID-ICDZXHCJSA-N 2 1 394.607 4.250 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000459449612 823194649 /nfs/dbraw/zinc/19/46/49/823194649.db2.gz SYPMSPIREQUVPY-BJKOFHAPSA-N 2 1 394.559 4.138 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459476023 823200340 /nfs/dbraw/zinc/20/03/40/823200340.db2.gz DZGZPZWUCGRUOX-UHFFFAOYSA-N 2 1 395.576 4.325 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C\c3ccc(F)cc3)CC2)c1C ZINC000571569349 823201732 /nfs/dbraw/zinc/20/17/32/823201732.db2.gz ZLVRUFGIKCYIPU-WAYWQWQTSA-N 2 1 397.538 4.456 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C\c3ccc(F)cc3)CC2)c1C ZINC000571569349 823201734 /nfs/dbraw/zinc/20/17/34/823201734.db2.gz ZLVRUFGIKCYIPU-WAYWQWQTSA-N 2 1 397.538 4.456 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121586005 823211418 /nfs/dbraw/zinc/21/14/18/823211418.db2.gz DJOUWIYUDGTUQR-RBUKOAKNSA-N 2 1 397.567 4.053 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121586005 823211421 /nfs/dbraw/zinc/21/14/21/823211421.db2.gz DJOUWIYUDGTUQR-RBUKOAKNSA-N 2 1 397.567 4.053 20 0 GIADMP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257529 /nfs/dbraw/zinc/25/75/29/823257529.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257536 /nfs/dbraw/zinc/25/75/36/823257536.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257540 /nfs/dbraw/zinc/25/75/40/823257540.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 1 393.550 4.010 20 0 GIADMP CCCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459735897 823258444 /nfs/dbraw/zinc/25/84/44/823258444.db2.gz PYJYBUSXYZZCOY-OAHLLOKOSA-N 2 1 399.373 4.068 20 0 GIADMP CCCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459735895 823258487 /nfs/dbraw/zinc/25/84/87/823258487.db2.gz PYJYBUSXYZZCOY-HNNXBMFYSA-N 2 1 399.373 4.068 20 0 GIADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000572319342 823319343 /nfs/dbraw/zinc/31/93/43/823319343.db2.gz QKUMITGGXYOQCN-UHFFFAOYSA-N 2 1 379.479 4.118 20 0 GIADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000572330297 823321918 /nfs/dbraw/zinc/32/19/18/823321918.db2.gz KAMNEFXOENCOCZ-UHFFFAOYSA-N 2 1 394.563 4.152 20 0 GIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000572330297 823321922 /nfs/dbraw/zinc/32/19/22/823321922.db2.gz KAMNEFXOENCOCZ-UHFFFAOYSA-N 2 1 394.563 4.152 20 0 GIADMP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000017314064 818508475 /nfs/dbraw/zinc/50/84/75/818508475.db2.gz JHKKYHLKGPZLNG-UHFFFAOYSA-N 2 1 388.559 4.345 20 0 GIADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017313951 818508749 /nfs/dbraw/zinc/50/87/49/818508749.db2.gz OUQXOKNGNHCWJS-UHFFFAOYSA-N 2 1 380.923 4.377 20 0 GIADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OCc1cccnc1 ZINC000176992886 823344887 /nfs/dbraw/zinc/34/48/87/823344887.db2.gz ACNYAELKBJVCEW-UHFFFAOYSA-N 2 1 395.547 4.166 20 0 GIADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483285 823347788 /nfs/dbraw/zinc/34/77/88/823347788.db2.gz XVUOAOMEVKKXBA-KRWDZBQOSA-N 2 1 380.923 4.234 20 0 GIADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483285 823347793 /nfs/dbraw/zinc/34/77/93/823347793.db2.gz XVUOAOMEVKKXBA-KRWDZBQOSA-N 2 1 380.923 4.234 20 0 GIADMP CCc1oc2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020936634 818641760 /nfs/dbraw/zinc/64/17/60/818641760.db2.gz JPZOFTDLORHYGG-LJQANCHMSA-N 2 1 383.561 4.135 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc(C)[nH+]1 ZINC000122565717 823373884 /nfs/dbraw/zinc/37/38/84/823373884.db2.gz GUGSDYSYZPISOC-QFIPXVFZSA-N 2 1 392.547 4.054 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000025702859 820016333 /nfs/dbraw/zinc/01/63/33/820016333.db2.gz NCCRSPRNEFXNNZ-OAHLLOKOSA-N 2 1 398.576 4.294 20 0 GIADMP COc1ccc2oc(C[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2c1 ZINC000123060586 823455495 /nfs/dbraw/zinc/45/54/95/823455495.db2.gz RNZYIEORHJMHFM-HDICACEKSA-N 2 1 394.515 4.340 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC000410356302 823472061 /nfs/dbraw/zinc/47/20/61/823472061.db2.gz BHYISUYSCPTPFU-PWRODBHTSA-N 2 1 375.516 4.179 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@@H](C)O1 ZINC000177484279 823473441 /nfs/dbraw/zinc/47/34/41/823473441.db2.gz LMFBUTSKFRMANC-IAGOWNOFSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505404 823479030 /nfs/dbraw/zinc/47/90/30/823479030.db2.gz OBFSITVWJHMCRF-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505404 823479035 /nfs/dbraw/zinc/47/90/35/823479035.db2.gz OBFSITVWJHMCRF-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509246 823479333 /nfs/dbraw/zinc/47/93/33/823479333.db2.gz RSDDTQFIFONKDB-OALUTQOASA-N 2 1 383.536 4.053 20 0 GIADMP c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907272 820707096 /nfs/dbraw/zinc/70/70/96/820707096.db2.gz PKGJVPPETXKEEA-NRFANRHFSA-N 2 1 386.543 4.172 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000043391178 821401267 /nfs/dbraw/zinc/40/12/67/821401267.db2.gz PIMVVPJMRCFCLU-UHFFFAOYSA-N 2 1 384.568 4.199 20 0 GIADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000180738455 821426504 /nfs/dbraw/zinc/42/65/04/821426504.db2.gz LCXITEOTPCVEMB-ZWKOTPCHSA-N 2 1 387.593 4.413 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)on1 ZINC000181150076 821665093 /nfs/dbraw/zinc/66/50/93/821665093.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)on1 ZINC000181150076 821665098 /nfs/dbraw/zinc/66/50/98/821665098.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)on1 ZINC000181150076 821665101 /nfs/dbraw/zinc/66/51/01/821665101.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 2 1 391.515 4.420 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)on1 ZINC000181150076 821665103 /nfs/dbraw/zinc/66/51/03/821665103.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 2 1 391.515 4.420 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416753 821814355 /nfs/dbraw/zinc/81/43/55/821814355.db2.gz LPZZSNPZQWPJKM-AGRHKRQWSA-N 2 1 399.348 4.007 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235470 822159863 /nfs/dbraw/zinc/15/98/63/822159863.db2.gz ZUZVTWOCUHTVHV-FYYLOGMGSA-N 2 1 392.543 4.179 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243351 822164216 /nfs/dbraw/zinc/16/42/16/822164216.db2.gz QEHKIWGTKRFSAA-XMSQKQJNSA-N 2 1 375.516 4.042 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266721 822178394 /nfs/dbraw/zinc/17/83/94/822178394.db2.gz FGFCNFPNWRQAFK-AVRDEDQJSA-N 2 1 376.500 4.364 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1OC ZINC000177969502 822262006 /nfs/dbraw/zinc/26/20/06/822262006.db2.gz YACOTSNMQMXGNK-LJQANCHMSA-N 2 1 382.548 4.199 20 0 GIADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253814 822359108 /nfs/dbraw/zinc/35/91/08/822359108.db2.gz ADAVJAVFWXIOTE-GOSISDBHSA-N 2 1 379.342 4.127 20 0 GIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616791 822396485 /nfs/dbraw/zinc/39/64/85/822396485.db2.gz ZBUDKKUWWXUXCK-HRAATJIYSA-N 2 1 386.536 4.373 20 0 GIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616791 822396490 /nfs/dbraw/zinc/39/64/90/822396490.db2.gz ZBUDKKUWWXUXCK-HRAATJIYSA-N 2 1 386.536 4.373 20 0 GIADMP COCCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000178699708 822403884 /nfs/dbraw/zinc/40/38/84/822403884.db2.gz ODDURQIXGAQDLJ-HNAYVOBHSA-N 2 1 394.357 4.348 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800695 822411476 /nfs/dbraw/zinc/41/14/76/822411476.db2.gz GSFBJEJNXNQDKQ-DYESRHJHSA-N 2 1 390.543 4.299 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800656 822411541 /nfs/dbraw/zinc/41/15/41/822411541.db2.gz GSFBJEJNXNQDKQ-UWJYYQICSA-N 2 1 390.543 4.299 20 0 GIADMP C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100601 822424452 /nfs/dbraw/zinc/42/44/52/822424452.db2.gz JEDABQCFPNBFPZ-AZUAARDMSA-N 2 1 393.616 4.266 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136476 822429048 /nfs/dbraw/zinc/42/90/48/822429048.db2.gz DNOKEXODFQVWNI-IRXDYDNUSA-N 2 1 394.494 4.018 20 0 GIADMP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183141329 822430104 /nfs/dbraw/zinc/43/01/04/822430104.db2.gz UWBZHZRWKKRQEC-SJORKVTESA-N 2 1 392.503 4.257 20 0 GIADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183145448 822430763 /nfs/dbraw/zinc/43/07/63/822430763.db2.gz MZFPPMJOVKPNIY-AWEZNQCLSA-N 2 1 398.894 4.132 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151088 822431932 /nfs/dbraw/zinc/43/19/32/822431932.db2.gz PTJUADOHUVJSKY-JKSUJKDBSA-N 2 1 380.467 4.306 20 0 GIADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185259 822437504 /nfs/dbraw/zinc/43/75/04/822437504.db2.gz HKWCPJNUYKKQCL-YESZJQIVSA-N 2 1 376.541 4.016 20 0 GIADMP CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388651 822475573 /nfs/dbraw/zinc/47/55/73/822475573.db2.gz SSSPUGWNMPAXEB-UHFFFAOYSA-N 2 1 394.563 4.129 20 0 GIADMP Cc1ccc2c(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1 ZINC000179392802 822476197 /nfs/dbraw/zinc/47/61/97/822476197.db2.gz JWAPIAGJDXFKCX-UHFFFAOYSA-N 2 1 391.515 4.235 20 0 GIADMP CCO[C@@H](C)c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394814 822476592 /nfs/dbraw/zinc/47/65/92/822476592.db2.gz GEWLJEFGKIOTRV-KRWDZBQOSA-N 2 1 388.581 4.374 20 0 GIADMP CCO[C@@H](C)c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394814 822476594 /nfs/dbraw/zinc/47/65/94/822476594.db2.gz GEWLJEFGKIOTRV-KRWDZBQOSA-N 2 1 388.581 4.374 20 0 GIADMP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000454499493 822485551 /nfs/dbraw/zinc/48/55/51/822485551.db2.gz FNVGBYMBFQWINE-SFHVURJKSA-N 2 1 383.540 4.003 20 0 GIADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000183610832 822500979 /nfs/dbraw/zinc/50/09/79/822500979.db2.gz RSOBQSFRCKBRAA-MOPGFXCFSA-N 2 1 396.531 4.115 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682321 822510496 /nfs/dbraw/zinc/51/04/96/822510496.db2.gz QKVDQGOUZDMJSA-HZPDHXFCSA-N 2 1 380.467 4.306 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083857 822575609 /nfs/dbraw/zinc/57/56/09/822575609.db2.gz OCOIIWWHVQGIEA-QEEYODRMSA-N 2 1 384.395 4.276 20 0 GIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113083 822617889 /nfs/dbraw/zinc/61/78/89/822617889.db2.gz VBGXMCRGWYQFCS-HSZRJFAPSA-N 2 1 380.511 4.279 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113083 822617892 /nfs/dbraw/zinc/61/78/92/822617892.db2.gz VBGXMCRGWYQFCS-HSZRJFAPSA-N 2 1 380.511 4.279 20 0 GIADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171234 822632056 /nfs/dbraw/zinc/63/20/56/822632056.db2.gz XEVCRSBYVQQWHL-MFXLTOHQSA-N 2 1 388.914 4.298 20 0 GIADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180176185 822632829 /nfs/dbraw/zinc/63/28/29/822632829.db2.gz AQOWXUVQCNYKRG-FDFHNCONSA-N 2 1 388.559 4.006 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000048750366 822681360 /nfs/dbraw/zinc/68/13/60/822681360.db2.gz OWEWNMNNBNNNOJ-UHFFFAOYSA-N 2 1 389.478 4.363 20 0 GIADMP Clc1cccc(-c2noc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000174397242 822783917 /nfs/dbraw/zinc/78/39/17/822783917.db2.gz MARYWQRNTARIKY-UHFFFAOYSA-N 2 1 396.922 4.187 20 0 GIADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000174453375 822791993 /nfs/dbraw/zinc/79/19/93/822791993.db2.gz NLEOREAUBKDGMO-UHFFFAOYSA-N 2 1 389.906 4.107 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677962 822809270 /nfs/dbraw/zinc/80/92/70/822809270.db2.gz URZOVTGVGAFFBK-OWCLPIDISA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677962 822809272 /nfs/dbraw/zinc/80/92/72/822809272.db2.gz URZOVTGVGAFFBK-OWCLPIDISA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689548 822810465 /nfs/dbraw/zinc/81/04/65/822810465.db2.gz VTHWXEWVZRWYBK-SVFBPWRDSA-N 2 1 393.575 4.260 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689548 822810468 /nfs/dbraw/zinc/81/04/68/822810468.db2.gz VTHWXEWVZRWYBK-SVFBPWRDSA-N 2 1 393.575 4.260 20 0 GIADMP COC(=O)c1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000569484403 822928440 /nfs/dbraw/zinc/92/84/40/822928440.db2.gz GWCWOWSNOSPRGN-UHFFFAOYSA-N 2 1 396.531 4.015 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000569511735 822932370 /nfs/dbraw/zinc/93/23/70/822932370.db2.gz JWBFQGCZBFICJL-ACDBMABISA-N 2 1 389.465 4.428 20 0 GIADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CC12CCOCC2 ZINC000569811056 822971774 /nfs/dbraw/zinc/97/17/74/822971774.db2.gz UOGUPAWUKMRFOQ-INIZCTEOSA-N 2 1 376.953 4.256 20 0 GIADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000569833792 822974171 /nfs/dbraw/zinc/97/41/71/822974171.db2.gz DRTOZEAQUQLWNW-UHFFFAOYSA-N 2 1 380.532 4.192 20 0 GIADMP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968667 822990905 /nfs/dbraw/zinc/99/09/05/822990905.db2.gz JVZXNQTWSQRKHP-IBGZPJMESA-N 2 1 385.577 4.194 20 0 GIADMP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968667 822990907 /nfs/dbraw/zinc/99/09/07/822990907.db2.gz JVZXNQTWSQRKHP-IBGZPJMESA-N 2 1 385.577 4.194 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353872 823028148 /nfs/dbraw/zinc/02/81/48/823028148.db2.gz DLPQUEQYLQCGLV-MDKPJZGXSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353872 823028152 /nfs/dbraw/zinc/02/81/52/823028152.db2.gz DLPQUEQYLQCGLV-MDKPJZGXSA-N 2 1 381.549 4.063 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000570438798 823038584 /nfs/dbraw/zinc/03/85/84/823038584.db2.gz KCARZDYDRXJEAW-GOSISDBHSA-N 2 1 375.520 4.335 20 0 GIADMP O=C(c1ccccc1)N1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411147778 823551761 /nfs/dbraw/zinc/55/17/61/823551761.db2.gz JIYQORPGEPTABQ-UHFFFAOYSA-N 2 1 391.559 4.021 20 0 GIADMP O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411147778 823551763 /nfs/dbraw/zinc/55/17/63/823551763.db2.gz JIYQORPGEPTABQ-UHFFFAOYSA-N 2 1 391.559 4.021 20 0 GIADMP c1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428497 823573226 /nfs/dbraw/zinc/57/32/26/823573226.db2.gz PSADEMIDTOYTAS-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428497 823573227 /nfs/dbraw/zinc/57/32/27/823573227.db2.gz PSADEMIDTOYTAS-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428497 823573228 /nfs/dbraw/zinc/57/32/28/823573228.db2.gz PSADEMIDTOYTAS-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP CC(CC[NH+]1CCC2(CCOCC2)[C@H]1C)CC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000411523139 823584502 /nfs/dbraw/zinc/58/45/02/823584502.db2.gz GRNFTMBWNHVENH-FGZHOGPDSA-N 2 1 392.628 4.185 20 0 GIADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632704 823612805 /nfs/dbraw/zinc/61/28/05/823612805.db2.gz MTPURZHOVGMUIY-GQIGUUNPSA-N 2 1 385.577 4.228 20 0 GIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000062427054 823635131 /nfs/dbraw/zinc/63/51/31/823635131.db2.gz RQFDPSSQPJFHFR-SFHVURJKSA-N 2 1 385.939 4.412 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000062427054 823635132 /nfs/dbraw/zinc/63/51/32/823635132.db2.gz RQFDPSSQPJFHFR-SFHVURJKSA-N 2 1 385.939 4.412 20 0 GIADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000191188127 823657543 /nfs/dbraw/zinc/65/75/43/823657543.db2.gz SKISEDROCKJXMI-UHFFFAOYSA-N 2 1 392.547 4.441 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464643 823678250 /nfs/dbraw/zinc/67/82/50/823678250.db2.gz VMRTXJKZVKTJKR-GAJHUEQPSA-N 2 1 379.504 4.352 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482570 823689800 /nfs/dbraw/zinc/68/98/00/823689800.db2.gz IPHNJAATMCSLKC-SFHVURJKSA-N 2 1 378.520 4.338 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482570 823689802 /nfs/dbraw/zinc/68/98/02/823689802.db2.gz IPHNJAATMCSLKC-SFHVURJKSA-N 2 1 378.520 4.338 20 0 GIADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000125653684 823693867 /nfs/dbraw/zinc/69/38/67/823693867.db2.gz CUFPIXVCUXGMHV-RTBURBONSA-N 2 1 392.609 4.176 20 0 GIADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cnn1-c1ccc(F)cc1 ZINC000163477352 823713941 /nfs/dbraw/zinc/71/39/41/823713941.db2.gz LIYJJUCXQAWGNO-QGZVFWFLSA-N 2 1 393.510 4.343 20 0 GIADMP C[C@@H](CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559133 823765976 /nfs/dbraw/zinc/76/59/76/823765976.db2.gz SMPJHAOYYOCPIY-WIOPSUGQSA-N 2 1 377.576 4.072 20 0 GIADMP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000164017816 823770785 /nfs/dbraw/zinc/77/07/85/823770785.db2.gz AGSDUWZZNIATPU-OAQYLSRUSA-N 2 1 395.591 4.464 20 0 GIADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000164028522 823771798 /nfs/dbraw/zinc/77/17/98/823771798.db2.gz VNXVURMPJYNVGL-SFHVURJKSA-N 2 1 383.536 4.194 20 0 GIADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000461962811 823773683 /nfs/dbraw/zinc/77/36/83/823773683.db2.gz XQUAUSQLYRQAAQ-SFHVURJKSA-N 2 1 385.556 4.005 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335275 823844539 /nfs/dbraw/zinc/84/45/39/823844539.db2.gz XWLPFEQIRJURHB-IFMALSPDSA-N 2 1 391.559 4.029 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561785 823853636 /nfs/dbraw/zinc/85/36/36/823853636.db2.gz WAUMJAWNJRGPNS-UMEGOILYSA-N 2 1 388.559 4.417 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000126395150 823856103 /nfs/dbraw/zinc/85/61/03/823856103.db2.gz JGVWIEYTSMHSMA-HUUCEWRRSA-N 2 1 377.517 4.467 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1)C1CC1 ZINC000413898832 823862391 /nfs/dbraw/zinc/86/23/91/823862391.db2.gz HKGRLVAHZSNFQN-UHFFFAOYSA-N 2 1 399.510 4.003 20 0 GIADMP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000165981919 823867490 /nfs/dbraw/zinc/86/74/90/823867490.db2.gz VRIRLCPIHQKAQT-IRLDBZIGSA-N 2 1 397.607 4.058 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000166066258 823869104 /nfs/dbraw/zinc/86/91/04/823869104.db2.gz VUOOWZDPHJEZHP-QGZVFWFLSA-N 2 1 382.552 4.259 20 0 GIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414171948 823922797 /nfs/dbraw/zinc/92/27/97/823922797.db2.gz DNHOFFKPFXAEKV-OXJNMPFZSA-N 2 1 395.385 4.238 20 0 GIADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1F ZINC000126683271 823926445 /nfs/dbraw/zinc/92/64/45/823926445.db2.gz ZLTAPGYSRPAENQ-QGZVFWFLSA-N 2 1 387.568 4.146 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791511 823952480 /nfs/dbraw/zinc/95/24/80/823952480.db2.gz ZSIBZASLDKMAAW-QZTJIDSGSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791511 823952491 /nfs/dbraw/zinc/95/24/91/823952491.db2.gz ZSIBZASLDKMAAW-QZTJIDSGSA-N 2 1 399.560 4.268 20 0 GIADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000575331829 823957058 /nfs/dbraw/zinc/95/70/58/823957058.db2.gz WCTIPNSXEAWAQW-NRFANRHFSA-N 2 1 394.519 4.014 20 0 GIADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000414780413 824035373 /nfs/dbraw/zinc/03/53/73/824035373.db2.gz BAEXTPDHLSWMBS-UHFFFAOYSA-N 2 1 395.330 4.423 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039287 /nfs/dbraw/zinc/03/92/87/824039287.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039292 /nfs/dbraw/zinc/03/92/92/824039292.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039295 /nfs/dbraw/zinc/03/92/95/824039295.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 2 1 390.506 4.170 20 0 GIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942424 824052877 /nfs/dbraw/zinc/05/28/77/824052877.db2.gz DKBZPDKBMUCDPX-XJKSGUPXSA-N 2 1 392.330 4.476 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001164627499 719048745 /nfs/dbraw/zinc/04/87/45/719048745.db2.gz VKULXEOAEPNDCW-VDKIKQQVSA-N 2 1 390.575 4.212 20 0 GIADMP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)[nH]1 ZINC001164759825 721043590 /nfs/dbraw/zinc/04/35/90/721043590.db2.gz QSRRBISYVYQNCN-UHFFFAOYSA-N 2 1 389.547 4.457 20 0 GIADMP C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120823154 823071521 /nfs/dbraw/zinc/07/15/21/823071521.db2.gz VAOOFNWLFCWUSB-GBXCKJPGSA-N 2 1 381.564 4.115 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766962 823084062 /nfs/dbraw/zinc/08/40/62/823084062.db2.gz DPPZSQACVSAOQJ-GHTZIAJQSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766962 823084070 /nfs/dbraw/zinc/08/40/70/823084070.db2.gz DPPZSQACVSAOQJ-GHTZIAJQSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766962 823084075 /nfs/dbraw/zinc/08/40/75/823084075.db2.gz DPPZSQACVSAOQJ-GHTZIAJQSA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766962 823084082 /nfs/dbraw/zinc/08/40/82/823084082.db2.gz DPPZSQACVSAOQJ-GHTZIAJQSA-N 2 1 378.545 4.092 20 0 GIADMP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000056156216 823091383 /nfs/dbraw/zinc/09/13/83/823091383.db2.gz PRVIGQYALDWWEK-MOPGFXCFSA-N 2 1 395.547 4.186 20 0 GIADMP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ncc[nH]2)cc1 ZINC000187901012 823155182 /nfs/dbraw/zinc/15/51/82/823155182.db2.gz VOBLIJMOXYWMNL-FQEVSTJZSA-N 2 1 384.524 4.202 20 0 GIADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307928 823163309 /nfs/dbraw/zinc/16/33/09/823163309.db2.gz VCILBDYMBUNPBW-BULWUCQVSA-N 2 1 376.610 4.099 20 0 GIADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000459357168 823170471 /nfs/dbraw/zinc/17/04/71/823170471.db2.gz JKONHMFHRPJGJX-UHFFFAOYSA-N 2 1 376.903 4.034 20 0 GIADMP COCCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459389896 823180923 /nfs/dbraw/zinc/18/09/23/823180923.db2.gz ARIORTMKBWPAML-UHFFFAOYSA-N 2 1 382.548 4.261 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000121483126 823192635 /nfs/dbraw/zinc/19/26/35/823192635.db2.gz FUVDHSIRLYWCIA-LRDDRELGSA-N 2 1 380.355 4.417 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121508844 823197295 /nfs/dbraw/zinc/19/72/95/823197295.db2.gz HDDILVHWUXPSMI-NEPJUHHUSA-N 2 1 389.393 4.381 20 0 GIADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000459729307 823257566 /nfs/dbraw/zinc/25/75/66/823257566.db2.gz IZCRSGNOEJRYEU-IBGZPJMESA-N 2 1 398.547 4.104 20 0 GIADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409634757 823268173 /nfs/dbraw/zinc/26/81/73/823268173.db2.gz FXGMJYPLKWWCQP-QFIPXVFZSA-N 2 1 399.966 4.245 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000460035896 823281528 /nfs/dbraw/zinc/28/15/28/823281528.db2.gz YIUYWUOSPJBDQE-UHFFFAOYSA-N 2 1 392.425 4.012 20 0 GIADMP Cc1cnc(CC[N@H+](C)[C@@H]2CCC[NH+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312425 /nfs/dbraw/zinc/31/24/25/823312425.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 2 1 394.607 4.282 20 0 GIADMP Cc1cnc(CC[NH+](C)[C@@H]2CCC[N@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312428 /nfs/dbraw/zinc/31/24/28/823312428.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 2 1 394.607 4.282 20 0 GIADMP Cc1cnc(CC[NH+](C)[C@@H]2CCC[N@@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312431 /nfs/dbraw/zinc/31/24/31/823312431.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 2 1 394.607 4.282 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000122204024 823321145 /nfs/dbraw/zinc/32/11/45/823321145.db2.gz XDUNICGUYOHMHH-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP C[C@H](O)[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929179 823329657 /nfs/dbraw/zinc/32/96/57/823329657.db2.gz XLQWUFWDSAZAFM-NBGIEHNGSA-N 2 1 398.566 4.052 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000460357973 823363133 /nfs/dbraw/zinc/36/31/33/823363133.db2.gz JMBXAMPWCIWXCF-YPGOJHLTSA-N 2 1 385.939 4.025 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000460357973 823363139 /nfs/dbraw/zinc/36/31/39/823363139.db2.gz JMBXAMPWCIWXCF-YPGOJHLTSA-N 2 1 385.939 4.025 20 0 GIADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767214 823408643 /nfs/dbraw/zinc/40/86/43/823408643.db2.gz UVUSEBUWEXPCQT-KRWDZBQOSA-N 2 1 377.532 4.015 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1)C(C)C ZINC000177231647 823405791 /nfs/dbraw/zinc/40/57/91/823405791.db2.gz BZOJPTWUWCVUPL-UHFFFAOYSA-N 2 1 385.596 4.444 20 0 GIADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767214 823408646 /nfs/dbraw/zinc/40/86/46/823408646.db2.gz UVUSEBUWEXPCQT-KRWDZBQOSA-N 2 1 377.532 4.015 20 0 GIADMP NC(=O)[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025501773 819991797 /nfs/dbraw/zinc/99/17/97/819991797.db2.gz WOIMCRXZMOOAKS-RUZDIDTESA-N 2 1 399.538 4.266 20 0 GIADMP CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573097111 823446709 /nfs/dbraw/zinc/44/67/09/823446709.db2.gz HCQBNYJITXWCHD-HSZRJFAPSA-N 2 1 394.559 4.104 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364691 820089534 /nfs/dbraw/zinc/08/95/34/820089534.db2.gz OOVZTRTWZNJHFF-ZWKOTPCHSA-N 2 1 399.966 4.160 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000028899366 820369978 /nfs/dbraw/zinc/36/99/78/820369978.db2.gz AQSIAWZGSSSNPG-MRXNPFEDSA-N 2 1 387.474 4.068 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc21 ZINC000410363329 823474852 /nfs/dbraw/zinc/47/48/52/823474852.db2.gz WFEZREXNAHZECG-MZADTFQBSA-N 2 1 375.516 4.464 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000177846205 823535583 /nfs/dbraw/zinc/53/55/83/823535583.db2.gz KDYIBIVEVFWKKW-GOSISDBHSA-N 2 1 388.515 4.268 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643742 821379665 /nfs/dbraw/zinc/37/96/65/821379665.db2.gz WMBBUBJKLPVFNJ-KDOFPFPSSA-N 2 1 379.331 4.411 20 0 GIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000180996873 821582918 /nfs/dbraw/zinc/58/29/18/821582918.db2.gz RJZRXGFUANYPPF-JOCHJYFZSA-N 2 1 376.500 4.111 20 0 GIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000180996873 821582924 /nfs/dbraw/zinc/58/29/24/821582924.db2.gz RJZRXGFUANYPPF-JOCHJYFZSA-N 2 1 376.500 4.111 20 0 GIADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)oc21 ZINC000181541782 821874329 /nfs/dbraw/zinc/87/43/29/821874329.db2.gz ATXLXGOIXVPGPC-GOSISDBHSA-N 2 1 393.531 4.040 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000181588433 821892122 /nfs/dbraw/zinc/89/21/22/821892122.db2.gz YVIYMBNKJSLGRD-RBUKOAKNSA-N 2 1 389.547 4.452 20 0 GIADMP COc1cccc2cc([C@@H](C)[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)oc21 ZINC000181863170 822019843 /nfs/dbraw/zinc/01/98/43/822019843.db2.gz KNZOABVMKRAQBR-OAHLLOKOSA-N 2 1 380.492 4.168 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241152 822162738 /nfs/dbraw/zinc/16/27/38/822162738.db2.gz GVRYPUUESIDFHM-OXQOHEQNSA-N 2 1 390.474 4.096 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000177969024 822262086 /nfs/dbraw/zinc/26/20/86/822262086.db2.gz VDBLXMQRJBAPTC-FQEVSTJZSA-N 2 1 382.548 4.070 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000178270576 822361520 /nfs/dbraw/zinc/36/15/20/822361520.db2.gz KTFLRYQIPHOSBS-UHFFFAOYSA-N 2 1 383.511 4.431 20 0 GIADMP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000182888078 822386540 /nfs/dbraw/zinc/38/65/40/822386540.db2.gz MPRXYJPGPKFYGR-KRWDZBQOSA-N 2 1 381.307 4.073 20 0 GIADMP Cc1cc(Br)c(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000453595330 822390649 /nfs/dbraw/zinc/39/06/49/822390649.db2.gz VUWRRFKECYPFKB-UHFFFAOYSA-N 2 1 380.355 4.281 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3Br)CC2)nc(C)[nH+]1 ZINC000178696076 822403623 /nfs/dbraw/zinc/40/36/23/822403623.db2.gz GCUNCRSAKYXCBC-CQSZACIVSA-N 2 1 389.341 4.176 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000178699623 822403849 /nfs/dbraw/zinc/40/38/49/822403849.db2.gz LPDBWQFKINFCMZ-CXAGYDPISA-N 2 1 378.314 4.094 20 0 GIADMP C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100662 822424512 /nfs/dbraw/zinc/42/45/12/822424512.db2.gz JEDABQCFPNBFPZ-QUCCMNQESA-N 2 1 393.616 4.266 20 0 GIADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137633 822429334 /nfs/dbraw/zinc/42/93/34/822429334.db2.gz NBJUZUHOLGVOBS-ZKMPZPQNSA-N 2 1 391.559 4.078 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140328 822429816 /nfs/dbraw/zinc/42/98/16/822429816.db2.gz XIHVCMQRIWSBSY-MSOLQXFVSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000183150004 822431618 /nfs/dbraw/zinc/43/16/18/822431618.db2.gz XFYBXWSZDALPIV-SFHVURJKSA-N 2 1 390.531 4.417 20 0 GIADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183152788 822432114 /nfs/dbraw/zinc/43/21/14/822432114.db2.gz ARYPWPNEIUXNAC-CVEARBPZSA-N 2 1 390.487 4.061 20 0 GIADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393295 822476288 /nfs/dbraw/zinc/47/62/88/822476288.db2.gz DGXZCQDPIZKVNW-GOSISDBHSA-N 2 1 398.526 4.095 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672120 822508981 /nfs/dbraw/zinc/50/89/81/822508981.db2.gz DDSFQDGASXQDDN-ZHRRBRCNSA-N 2 1 399.922 4.062 20 0 GIADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183673092 822509215 /nfs/dbraw/zinc/50/92/15/822509215.db2.gz HAYVGXDYZPYXRW-CVEARBPZSA-N 2 1 390.487 4.061 20 0 GIADMP CCCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680824 822510518 /nfs/dbraw/zinc/51/05/18/822510518.db2.gz OVJRHPPBIAWFHL-UZLBHIALSA-N 2 1 395.507 4.325 20 0 GIADMP CCCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680793 822510553 /nfs/dbraw/zinc/51/05/53/822510553.db2.gz OVJRHPPBIAWFHL-JXFKEZNVSA-N 2 1 395.507 4.325 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000183940181 822550783 /nfs/dbraw/zinc/55/07/83/822550783.db2.gz YISJVQKVUAVMRJ-UHFFFAOYSA-N 2 1 397.567 4.298 20 0 GIADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180022426 822598540 /nfs/dbraw/zinc/59/85/40/822598540.db2.gz SEYRWLPVMRIGTA-QHCPKHFHSA-N 2 1 380.511 4.280 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000180072500 822609693 /nfs/dbraw/zinc/60/96/93/822609693.db2.gz VVGLHUVASXNKRM-OAHLLOKOSA-N 2 1 386.927 4.018 20 0 GIADMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637499 /nfs/dbraw/zinc/63/74/99/822637499.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637501 /nfs/dbraw/zinc/63/75/01/822637501.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637502 /nfs/dbraw/zinc/63/75/02/822637502.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 2 1 380.561 4.103 20 0 GIADMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637503 /nfs/dbraw/zinc/63/75/03/822637503.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 2 1 380.561 4.103 20 0 GIADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000455858218 822738229 /nfs/dbraw/zinc/73/82/29/822738229.db2.gz PBYICVMYBATVOW-AQOAWAETSA-N 2 1 384.568 4.010 20 0 GIADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000185282308 822759241 /nfs/dbraw/zinc/75/92/41/822759241.db2.gz VJRKHIDVHVNFPU-OAHLLOKOSA-N 2 1 379.913 4.312 20 0 GIADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000185282308 822759242 /nfs/dbraw/zinc/75/92/42/822759242.db2.gz VJRKHIDVHVNFPU-OAHLLOKOSA-N 2 1 379.913 4.312 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678464 822809367 /nfs/dbraw/zinc/80/93/67/822809367.db2.gz OMLJSIFXKBKYCJ-CMKODMSKSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678464 822809371 /nfs/dbraw/zinc/80/93/71/822809371.db2.gz OMLJSIFXKBKYCJ-CMKODMSKSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185707000 822812455 /nfs/dbraw/zinc/81/24/55/822812455.db2.gz JKHXHFWGBKRZJN-KKUMJFAQSA-N 2 1 381.923 4.049 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185707000 822812457 /nfs/dbraw/zinc/81/24/57/822812457.db2.gz JKHXHFWGBKRZJN-KKUMJFAQSA-N 2 1 381.923 4.049 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710691 822812879 /nfs/dbraw/zinc/81/28/79/822812879.db2.gz HYFUIJISXNUJCA-IAGOWNOFSA-N 2 1 377.960 4.138 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710691 822812882 /nfs/dbraw/zinc/81/28/82/822812882.db2.gz HYFUIJISXNUJCA-IAGOWNOFSA-N 2 1 377.960 4.138 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736722 822816056 /nfs/dbraw/zinc/81/60/56/822816056.db2.gz JRBUJSPEGGUIOC-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185736722 822816060 /nfs/dbraw/zinc/81/60/60/822816060.db2.gz JRBUJSPEGGUIOC-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749686 822817384 /nfs/dbraw/zinc/81/73/84/822817384.db2.gz VGRXEPAAUDGJHK-KNQAVFIVSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749686 822817386 /nfs/dbraw/zinc/81/73/86/822817386.db2.gz VGRXEPAAUDGJHK-KNQAVFIVSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751743 822817737 /nfs/dbraw/zinc/81/77/37/822817737.db2.gz PFBSRMFQWRTWGM-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751726 822817679 /nfs/dbraw/zinc/81/76/79/822817679.db2.gz PFBSRMFQWRTWGM-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751726 822817683 /nfs/dbraw/zinc/81/76/83/822817683.db2.gz PFBSRMFQWRTWGM-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751743 822817735 /nfs/dbraw/zinc/81/77/35/822817735.db2.gz PFBSRMFQWRTWGM-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000174767828 822834521 /nfs/dbraw/zinc/83/45/21/822834521.db2.gz GUYHUZKQEOXIPB-UHFFFAOYSA-N 2 1 393.531 4.265 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NCc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000569223445 822894433 /nfs/dbraw/zinc/89/44/33/822894433.db2.gz XBZVCVGQZTWUOL-UHFFFAOYSA-N 2 1 380.536 4.232 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000569305427 822904844 /nfs/dbraw/zinc/90/48/44/822904844.db2.gz MMKFTYNLPKPOFE-UHFFFAOYSA-N 2 1 381.442 4.286 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590614 822918966 /nfs/dbraw/zinc/91/89/66/822918966.db2.gz KGWSZDKHVDHTLL-MRXNPFEDSA-N 2 1 388.353 4.366 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CCC(C)C)CC2)CC1 ZINC000569470916 822927116 /nfs/dbraw/zinc/92/71/16/822927116.db2.gz PZPSBHFIUJMNHW-UHFFFAOYSA-N 2 1 385.596 4.410 20 0 GIADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000186678932 822935642 /nfs/dbraw/zinc/93/56/42/822935642.db2.gz GUAOGKJBNGIOOP-MRXNPFEDSA-N 2 1 397.966 4.100 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961718 822987880 /nfs/dbraw/zinc/98/78/80/822987880.db2.gz ZYFMEYLYFTUYDT-XXBNENTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961718 822987881 /nfs/dbraw/zinc/98/78/81/822987881.db2.gz ZYFMEYLYFTUYDT-XXBNENTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961718 822987883 /nfs/dbraw/zinc/98/78/83/822987883.db2.gz ZYFMEYLYFTUYDT-XXBNENTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961718 822987885 /nfs/dbraw/zinc/98/78/85/822987885.db2.gz ZYFMEYLYFTUYDT-XXBNENTESA-N 2 1 391.559 4.081 20 0 GIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000570009351 822996253 /nfs/dbraw/zinc/99/62/53/822996253.db2.gz ZELGUKUOLTVMIK-UHFFFAOYSA-N 2 1 378.520 4.304 20 0 GIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000570009351 822996258 /nfs/dbraw/zinc/99/62/58/822996258.db2.gz ZELGUKUOLTVMIK-UHFFFAOYSA-N 2 1 378.520 4.304 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353871 823028236 /nfs/dbraw/zinc/02/82/36/823028236.db2.gz DLPQUEQYLQCGLV-DJPFJPOOSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353871 823028237 /nfs/dbraw/zinc/02/82/37/823028237.db2.gz DLPQUEQYLQCGLV-DJPFJPOOSA-N 2 1 381.549 4.063 20 0 GIADMP O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411181855 823555136 /nfs/dbraw/zinc/55/51/36/823555136.db2.gz GPKLTQOVVOFYNX-UHFFFAOYSA-N 2 1 397.588 4.082 20 0 GIADMP O=C(c1ccsc1)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411181855 823555140 /nfs/dbraw/zinc/55/51/40/823555140.db2.gz GPKLTQOVVOFYNX-UHFFFAOYSA-N 2 1 397.588 4.082 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000461107077 823578826 /nfs/dbraw/zinc/57/88/26/823578826.db2.gz IQTTVMMYPKNZPR-MRWXXAKJSA-N 2 1 386.580 4.245 20 0 GIADMP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514754 823583212 /nfs/dbraw/zinc/58/32/12/823583212.db2.gz GRIDNLJFPSAIIK-DOTOQJQBSA-N 2 1 388.943 4.175 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517679 823583657 /nfs/dbraw/zinc/58/36/57/823583657.db2.gz NHTFBZJIKQFXOP-AZUAARDMSA-N 2 1 379.548 4.411 20 0 GIADMP CN1CC[C@@H](C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1cccnc1 ZINC000411580271 823589211 /nfs/dbraw/zinc/58/92/11/823589211.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 2 1 392.591 4.192 20 0 GIADMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1Br ZINC000061556881 823603640 /nfs/dbraw/zinc/60/36/40/823603640.db2.gz VNZCXYXFEKCFQG-UHFFFAOYSA-N 2 1 377.326 4.069 20 0 GIADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254856 823640393 /nfs/dbraw/zinc/64/03/93/823640393.db2.gz YSMLVUJTCLVOEU-UGKGYDQZSA-N 2 1 383.580 4.055 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224126 823660674 /nfs/dbraw/zinc/66/06/74/823660674.db2.gz SSACIBHJHGAAGI-OTWHNJEPSA-N 2 1 398.595 4.407 20 0 GIADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(Br)o3)cc2)CC1 ZINC000191438797 823685268 /nfs/dbraw/zinc/68/52/68/823685268.db2.gz GDUNCCWPMBHECR-UHFFFAOYSA-N 2 1 392.341 4.432 20 0 GIADMP Brc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)c1 ZINC000191490191 823690573 /nfs/dbraw/zinc/69/05/73/823690573.db2.gz HRJXBJSSGKVAOW-HXUWFJFHSA-N 2 1 393.369 4.133 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508351 823693217 /nfs/dbraw/zinc/69/32/17/823693217.db2.gz JVFBCPQPRKUOGD-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508351 823693218 /nfs/dbraw/zinc/69/32/18/823693218.db2.gz JVFBCPQPRKUOGD-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3OC(F)F)CC2)[nH+]c1 ZINC000163533878 823718976 /nfs/dbraw/zinc/71/89/76/823718976.db2.gz XCPQZIDJZKZUKM-CQSZACIVSA-N 2 1 379.426 4.450 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000163696125 823738687 /nfs/dbraw/zinc/73/86/87/823738687.db2.gz CAOKUNMVUBAWBW-LJQANCHMSA-N 2 1 398.547 4.342 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000163696125 823738693 /nfs/dbraw/zinc/73/86/93/823738693.db2.gz CAOKUNMVUBAWBW-LJQANCHMSA-N 2 1 398.547 4.342 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000163943785 823763866 /nfs/dbraw/zinc/76/38/66/823763866.db2.gz YGUHIURFYOOCSE-NHCUHLMSSA-N 2 1 396.575 4.458 20 0 GIADMP Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163958576 823766298 /nfs/dbraw/zinc/76/62/98/823766298.db2.gz CCLPPXMTZDLADH-SFHVURJKSA-N 2 1 388.577 4.397 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000164567881 823808881 /nfs/dbraw/zinc/80/88/81/823808881.db2.gz SCQBVQJUJKHYHJ-FQEVSTJZSA-N 2 1 391.559 4.321 20 0 GIADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822921 /nfs/dbraw/zinc/82/29/21/823822921.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 2 1 388.559 4.349 20 0 GIADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822927 /nfs/dbraw/zinc/82/29/27/823822927.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 2 1 388.559 4.349 20 0 GIADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822928 /nfs/dbraw/zinc/82/29/28/823822928.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 2 1 388.559 4.349 20 0 GIADMP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295001 823832589 /nfs/dbraw/zinc/83/25/89/823832589.db2.gz DQKFINHQZKVRJP-XZOQPEGZSA-N 2 1 386.486 4.092 20 0 GIADMP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877791 823849226 /nfs/dbraw/zinc/84/92/26/823849226.db2.gz UQVDMDKAEFLLAM-DEOSSOPVSA-N 2 1 386.543 4.218 20 0 GIADMP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877791 823849236 /nfs/dbraw/zinc/84/92/36/823849236.db2.gz UQVDMDKAEFLLAM-DEOSSOPVSA-N 2 1 386.543 4.218 20 0 GIADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877613 823849462 /nfs/dbraw/zinc/84/94/62/823849462.db2.gz QPMFPIIMVHZEEQ-VWNXMTODSA-N 2 1 393.575 4.085 20 0 GIADMP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877606 823849685 /nfs/dbraw/zinc/84/96/85/823849685.db2.gz QPMFPIIMVHZEEQ-ISKFKSNPSA-N 2 1 393.575 4.085 20 0 GIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000165599387 823855424 /nfs/dbraw/zinc/85/54/24/823855424.db2.gz YIGQVUKMZWCTGN-OAHLLOKOSA-N 2 1 381.442 4.209 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669146 823880794 /nfs/dbraw/zinc/88/07/94/823880794.db2.gz NVNNYOQCMKQJFD-DLBZAZTESA-N 2 1 386.503 4.482 20 0 GIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027288 823892439 /nfs/dbraw/zinc/89/24/39/823892439.db2.gz YNDYDZWBAGUASS-MRXNPFEDSA-N 2 1 388.353 4.161 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081962 823904758 /nfs/dbraw/zinc/90/47/58/823904758.db2.gz FHPGKWXASBPRLK-RTBURBONSA-N 2 1 377.573 4.075 20 0 GIADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000575219177 823943732 /nfs/dbraw/zinc/94/37/32/823943732.db2.gz XPCBYOWUQMEJEB-JKILAOHISA-N 2 1 397.651 4.406 20 0 GIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996973 /nfs/dbraw/zinc/99/69/73/823996973.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996977 /nfs/dbraw/zinc/99/69/77/823996977.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996982 /nfs/dbraw/zinc/99/69/82/823996982.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996986 /nfs/dbraw/zinc/99/69/86/823996986.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 2 1 384.527 4.098 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414716212 824026058 /nfs/dbraw/zinc/02/60/58/824026058.db2.gz RVMQKZDSJJSFQA-HSZRJFAPSA-N 2 1 384.568 4.059 20 0 GIADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805170 824037743 /nfs/dbraw/zinc/03/77/43/824037743.db2.gz AEXVPDDYKJRYOR-DGCLKSJQSA-N 2 1 379.854 4.183 20 0 GIADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854236 824042538 /nfs/dbraw/zinc/04/25/38/824042538.db2.gz USPHTXAZSIQYJN-DGCLKSJQSA-N 2 1 379.854 4.039 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000359993919 206276704 /nfs/dbraw/zinc/27/67/04/206276704.db2.gz ABUNZSFTUFHYCY-AWEZNQCLSA-N 2 1 398.448 4.387 20 0 GIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1 ZINC001164386909 718815902 /nfs/dbraw/zinc/81/59/02/718815902.db2.gz BVVVPTZPJNBEPS-PKOBYXMFSA-N 2 1 396.501 4.139 20 0 GIADMP Cc1ccc(C[NH+]2CCC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)CC2)cc1 ZINC001164765240 721041161 /nfs/dbraw/zinc/04/11/61/721041161.db2.gz OIUVCRXUEZDREJ-UHFFFAOYSA-N 2 1 391.563 4.242 20 0 GIADMP Cc1[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905491 721720970 /nfs/dbraw/zinc/72/09/70/721720970.db2.gz GXTBWYSHHSKBGM-NRFANRHFSA-N 2 1 397.473 4.004 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026161 721815326 /nfs/dbraw/zinc/81/53/26/721815326.db2.gz PIXMMAHZJFDBKN-NYVOZVTQSA-N 2 1 380.536 4.001 20 0 GIADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000570503069 823047353 /nfs/dbraw/zinc/04/73/53/823047353.db2.gz KLNWBIBHAIXKNA-VHYCJAOWSA-N 2 1 383.555 4.461 20 0 GIADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000570503068 823047484 /nfs/dbraw/zinc/04/74/84/823047484.db2.gz KLNWBIBHAIXKNA-KXTRFFEISA-N 2 1 383.555 4.461 20 0 GIADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCC(F)(F)F ZINC000120815997 823070086 /nfs/dbraw/zinc/07/00/86/823070086.db2.gz MWQAGGXENDGEEZ-QGZVFWFLSA-N 2 1 388.474 4.094 20 0 GIADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682036 823071535 /nfs/dbraw/zinc/07/15/35/823071535.db2.gz ORUJEVLJLBSLED-VQTJNVASSA-N 2 1 384.951 4.203 20 0 GIADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682036 823071538 /nfs/dbraw/zinc/07/15/38/823071538.db2.gz ORUJEVLJLBSLED-VQTJNVASSA-N 2 1 384.951 4.203 20 0 GIADMP C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120823310 823071554 /nfs/dbraw/zinc/07/15/54/823071554.db2.gz VAOOFNWLFCWUSB-HYBUGGRVSA-N 2 1 381.564 4.115 20 0 GIADMP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156217 823091479 /nfs/dbraw/zinc/09/14/79/823091479.db2.gz PRVIGQYALDWWEK-OALUTQOASA-N 2 1 395.547 4.186 20 0 GIADMP CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000187694382 823114479 /nfs/dbraw/zinc/11/44/79/823114479.db2.gz QHMNFBGKJGJBCZ-DLBZAZTESA-N 2 1 384.524 4.088 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000121578536 823209829 /nfs/dbraw/zinc/20/98/29/823209829.db2.gz SJODQKSTPIJOBZ-LJQANCHMSA-N 2 1 397.567 4.053 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)on1 ZINC000571754869 823230277 /nfs/dbraw/zinc/23/02/77/823230277.db2.gz ZJVQCNVKFYUDOB-QGZVFWFLSA-N 2 1 391.515 4.467 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924225 823254891 /nfs/dbraw/zinc/25/48/91/823254891.db2.gz FMSOJGLNSZNPBI-JTHBVZDNSA-N 2 1 393.575 4.407 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924225 823254893 /nfs/dbraw/zinc/25/48/93/823254893.db2.gz FMSOJGLNSZNPBI-JTHBVZDNSA-N 2 1 393.575 4.407 20 0 GIADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000409634661 823268228 /nfs/dbraw/zinc/26/82/28/823268228.db2.gz DMOUVJBYBGJHJS-QFIPXVFZSA-N 2 1 399.966 4.245 20 0 GIADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409635039 823268420 /nfs/dbraw/zinc/26/84/20/823268420.db2.gz IATUPVOJALPXTM-OAQYLSRUSA-N 2 1 387.955 4.101 20 0 GIADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000057843724 823340672 /nfs/dbraw/zinc/34/06/72/823340672.db2.gz YDGHOLXQIWYCSP-UHFFFAOYSA-N 2 1 379.548 4.086 20 0 GIADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000057843724 823340679 /nfs/dbraw/zinc/34/06/79/823340679.db2.gz YDGHOLXQIWYCSP-UHFFFAOYSA-N 2 1 379.548 4.086 20 0 GIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843942 823340705 /nfs/dbraw/zinc/34/07/05/823340705.db2.gz IBGGETSJTDLLEN-HXUWFJFHSA-N 2 1 379.548 4.166 20 0 GIADMP C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000017314094 818508500 /nfs/dbraw/zinc/50/85/00/818508500.db2.gz ZNOZRFXRNCUJOA-UHFFFAOYSA-N 2 1 394.950 4.436 20 0 GIADMP Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2ccccc2)cc1 ZINC000572519770 823352948 /nfs/dbraw/zinc/35/29/48/823352948.db2.gz MFFWSYCVXBBWPA-DEOSSOPVSA-N 2 1 375.516 4.210 20 0 GIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000022820531 818864098 /nfs/dbraw/zinc/86/40/98/818864098.db2.gz ATDCXOYFXJYYKV-UHFFFAOYSA-N 2 1 376.504 4.157 20 0 GIADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2n1 ZINC000189271039 823384212 /nfs/dbraw/zinc/38/42/12/823384212.db2.gz XCZJDUWCILYMBM-BGYRXZFFSA-N 2 1 389.543 4.442 20 0 GIADMP Clc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000058470704 823396430 /nfs/dbraw/zinc/39/64/30/823396430.db2.gz KJOKEGAXNRPLOO-UHFFFAOYSA-N 2 1 388.943 4.478 20 0 GIADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000177323571 823433486 /nfs/dbraw/zinc/43/34/86/823433486.db2.gz IDRFSZYTIOEUCS-FRIKZZABSA-N 2 1 399.579 4.171 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655248 823468234 /nfs/dbraw/zinc/46/82/34/823468234.db2.gz LESHAWYNTIAUMD-QFIPXVFZSA-N 2 1 397.563 4.038 20 0 GIADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529853 823483616 /nfs/dbraw/zinc/48/36/16/823483616.db2.gz ZUQUESCJFFPGIN-FQEVSTJZSA-N 2 1 397.567 4.250 20 0 GIADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529853 823483622 /nfs/dbraw/zinc/48/36/22/823483622.db2.gz ZUQUESCJFFPGIN-FQEVSTJZSA-N 2 1 397.567 4.250 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000123741374 823536237 /nfs/dbraw/zinc/53/62/37/823536237.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000123741374 823536239 /nfs/dbraw/zinc/53/62/39/823536239.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741374 823536242 /nfs/dbraw/zinc/53/62/42/823536242.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741374 823536244 /nfs/dbraw/zinc/53/62/44/823536244.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 2 1 381.520 4.222 20 0 GIADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995426 821582393 /nfs/dbraw/zinc/58/23/93/821582393.db2.gz IUELRIQOJSWDPN-GOSISDBHSA-N 2 1 398.453 4.081 20 0 GIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995426 821582398 /nfs/dbraw/zinc/58/23/98/821582398.db2.gz IUELRIQOJSWDPN-GOSISDBHSA-N 2 1 398.453 4.081 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425558 821820137 /nfs/dbraw/zinc/82/01/37/821820137.db2.gz XOMMBZLRLXUYNY-QOKNQOGYSA-N 2 1 393.622 4.436 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425558 821820139 /nfs/dbraw/zinc/82/01/39/821820139.db2.gz XOMMBZLRLXUYNY-QOKNQOGYSA-N 2 1 393.622 4.436 20 0 GIADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774904 821987808 /nfs/dbraw/zinc/98/78/08/821987808.db2.gz DELJBHWYZMARAX-KUHUBIRLSA-N 2 1 399.348 4.130 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263560 822176791 /nfs/dbraw/zinc/17/67/91/822176791.db2.gz OMYZGZXTYHIIQX-QAPCUYQASA-N 2 1 378.438 4.123 20 0 GIADMP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182267780 822179119 /nfs/dbraw/zinc/17/91/19/822179119.db2.gz RGWGQOCZODUGOA-UWJYYQICSA-N 2 1 394.515 4.249 20 0 GIADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178254992 822359127 /nfs/dbraw/zinc/35/91/27/822359127.db2.gz YBRMCEVITCVICK-GOSISDBHSA-N 2 1 379.342 4.127 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391619 822374591 /nfs/dbraw/zinc/37/45/91/822374591.db2.gz OKBFJAFWNOYOOV-KRWDZBQOSA-N 2 1 376.516 4.169 20 0 GIADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)cc2)c1 ZINC000178523074 822387652 /nfs/dbraw/zinc/38/76/52/822387652.db2.gz KMURWBWFPNIJJY-FQEVSTJZSA-N 2 1 382.548 4.071 20 0 GIADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)cc2)c1 ZINC000178523063 822387752 /nfs/dbraw/zinc/38/77/52/822387752.db2.gz KMURWBWFPNIJJY-HXUWFJFHSA-N 2 1 382.548 4.071 20 0 GIADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000453608005 822392147 /nfs/dbraw/zinc/39/21/47/822392147.db2.gz YIXYLHJTMOVVEA-UHFFFAOYSA-N 2 1 377.273 4.015 20 0 GIADMP COCCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000178699719 822403906 /nfs/dbraw/zinc/40/39/06/822403906.db2.gz ODDURQIXGAQDLJ-DNVCBOLYSA-N 2 1 394.357 4.348 20 0 GIADMP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183137009 822429321 /nfs/dbraw/zinc/42/93/21/822429321.db2.gz LKDNXHJQGJJEGL-PCCBWWKXSA-N 2 1 382.552 4.016 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140272 822429823 /nfs/dbraw/zinc/42/98/23/822429823.db2.gz XIHVCMQRIWSBSY-ZWKOTPCHSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142728 822430259 /nfs/dbraw/zinc/43/02/59/822430259.db2.gz GHZZJCLMIOSRGN-QZTJIDSGSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000183148160 822431269 /nfs/dbraw/zinc/43/12/69/822431269.db2.gz HXYWZWFAFLQHRM-CYBMUJFWSA-N 2 1 386.858 4.263 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191139 822438594 /nfs/dbraw/zinc/43/85/94/822438594.db2.gz GDXWTIORQFIZDL-SVFBPWRDSA-N 2 1 396.579 4.303 20 0 GIADMP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1)C1CCCCC1 ZINC000454235126 822441864 /nfs/dbraw/zinc/44/18/64/822441864.db2.gz ZTFGLLOPJFUZAN-UHFFFAOYSA-N 2 1 386.584 4.447 20 0 GIADMP C[NH+](CCCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000454235126 822441867 /nfs/dbraw/zinc/44/18/67/822441867.db2.gz ZTFGLLOPJFUZAN-UHFFFAOYSA-N 2 1 386.584 4.447 20 0 GIADMP C[NH+](CCCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000454235126 822441871 /nfs/dbraw/zinc/44/18/71/822441871.db2.gz ZTFGLLOPJFUZAN-UHFFFAOYSA-N 2 1 386.584 4.447 20 0 GIADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388523 822475593 /nfs/dbraw/zinc/47/55/93/822475593.db2.gz RWGDNULKCKVYOW-SFHVURJKSA-N 2 1 391.519 4.431 20 0 GIADMP Cc1nc2ccccc2nc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390706 822475863 /nfs/dbraw/zinc/47/58/63/822475863.db2.gz UJGWELXUPVEJAC-UHFFFAOYSA-N 2 1 375.520 4.072 20 0 GIADMP CCn1c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2c1cccc2F ZINC000179392082 822476029 /nfs/dbraw/zinc/47/60/29/822476029.db2.gz QTXJOLPIULDMAW-UHFFFAOYSA-N 2 1 395.526 4.329 20 0 GIADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397061 822476810 /nfs/dbraw/zinc/47/68/10/822476810.db2.gz ZHAGUGAOKXOWHK-LJQANCHMSA-N 2 1 394.563 4.210 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183493839 822485388 /nfs/dbraw/zinc/48/53/88/822485388.db2.gz DHYRLMAFVLMTKY-HXUWFJFHSA-N 2 1 375.557 4.018 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495927 822490915 /nfs/dbraw/zinc/49/09/15/822490915.db2.gz MFOVERJEXBHLBH-FDDCHVKYSA-N 2 1 388.515 4.023 20 0 GIADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183689595 822511895 /nfs/dbraw/zinc/51/18/95/822511895.db2.gz GGJFNYRNSHKPPP-HOTGVXAUSA-N 2 1 390.487 4.061 20 0 GIADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183706920 822514704 /nfs/dbraw/zinc/51/47/04/822514704.db2.gz PUGTXTYOZXFJTD-IRXDYDNUSA-N 2 1 393.487 4.144 20 0 GIADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncc(Br)c1 ZINC000183733725 822518475 /nfs/dbraw/zinc/51/84/75/822518475.db2.gz GPQKZLNQXHWDFR-HZPDHXFCSA-N 2 1 388.353 4.090 20 0 GIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183765596 822524986 /nfs/dbraw/zinc/52/49/86/822524986.db2.gz GKXHIJXKCXHMNY-GQOXECLESA-N 2 1 384.486 4.102 20 0 GIADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756216 822544222 /nfs/dbraw/zinc/54/42/22/822544222.db2.gz UWAFQTMVWXBYJP-RDPSFJRHSA-N 2 1 378.564 4.390 20 0 GIADMP CCc1cccc(C)c1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184755585 822686442 /nfs/dbraw/zinc/68/64/42/822686442.db2.gz DDWGWNXIAIBGCL-WOJBJXKFSA-N 2 1 393.575 4.242 20 0 GIADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000455939953 822753779 /nfs/dbraw/zinc/75/37/79/822753779.db2.gz UAOZBFDLQCKKIZ-OAOOKAIFSA-N 2 1 392.547 4.020 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671371 822808770 /nfs/dbraw/zinc/80/87/70/822808770.db2.gz SGDXMUDCLGOCQW-DOADOZAASA-N 2 1 389.609 4.043 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671371 822808773 /nfs/dbraw/zinc/80/87/73/822808773.db2.gz SGDXMUDCLGOCQW-DOADOZAASA-N 2 1 389.609 4.043 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683103 822809717 /nfs/dbraw/zinc/80/97/17/822809717.db2.gz ABOOBTFWYLWHLB-FUHWJXTLSA-N 2 1 375.582 4.203 20 0 GIADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccccc1 ZINC000174600710 822810528 /nfs/dbraw/zinc/81/05/28/822810528.db2.gz GRVFVTJVSPBCHB-FRIKZZABSA-N 2 1 380.532 4.379 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739685 822816506 /nfs/dbraw/zinc/81/65/06/822816506.db2.gz BXIYCHGAOLLKOI-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739685 822816510 /nfs/dbraw/zinc/81/65/10/822816510.db2.gz BXIYCHGAOLLKOI-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000174931943 822857649 /nfs/dbraw/zinc/85/76/49/822857649.db2.gz UKLGSMCMJVSBLF-IBGZPJMESA-N 2 1 399.922 4.181 20 0 GIADMP CC(CC[NH+]1CC[C@H](c2cccnc2)C1)CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000569336969 822908856 /nfs/dbraw/zinc/90/88/56/822908856.db2.gz VLOASOAQWKBGOA-ZEQRLZLVSA-N 2 1 378.564 4.172 20 0 GIADMP CCOc1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000569410816 822918606 /nfs/dbraw/zinc/91/86/06/822918606.db2.gz JZSHEFOBVLKZDH-UHFFFAOYSA-N 2 1 397.563 4.202 20 0 GIADMP CCOc1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000569410816 822918608 /nfs/dbraw/zinc/91/86/08/822918608.db2.gz JZSHEFOBVLKZDH-UHFFFAOYSA-N 2 1 397.563 4.202 20 0 GIADMP COc1cncc(/C=C\CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689995 822955718 /nfs/dbraw/zinc/95/57/18/822955718.db2.gz CZHXFBMIZQSDHJ-TZCKBEDOSA-N 2 1 379.548 4.384 20 0 GIADMP COc1cncc(/C=C\CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689995 822955720 /nfs/dbraw/zinc/95/57/20/822955720.db2.gz CZHXFBMIZQSDHJ-TZCKBEDOSA-N 2 1 379.548 4.384 20 0 GIADMP [NH3+][C@@H](CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)CC1CCCCC1 ZINC000569728250 822959623 /nfs/dbraw/zinc/95/96/23/822959623.db2.gz RNPUJWJFYIWMFW-FQEVSTJZSA-N 2 1 389.609 4.252 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823563997 /nfs/dbraw/zinc/56/39/97/823563997.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823563998 /nfs/dbraw/zinc/56/39/98/823563998.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823564000 /nfs/dbraw/zinc/56/40/00/823564000.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 2 1 399.604 4.148 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564094 /nfs/dbraw/zinc/56/40/94/823564094.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564098 /nfs/dbraw/zinc/56/40/98/823564098.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564103 /nfs/dbraw/zinc/56/41/03/823564103.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 2 1 399.604 4.148 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124123538 823569611 /nfs/dbraw/zinc/56/96/11/823569611.db2.gz RMNGWUDPUCVZCL-OAQYLSRUSA-N 2 1 377.467 4.102 20 0 GIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000061029112 823574324 /nfs/dbraw/zinc/57/43/24/823574324.db2.gz NENHXXBMEBELBA-FQEVSTJZSA-N 2 1 389.547 4.288 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000061029112 823574326 /nfs/dbraw/zinc/57/43/26/823574326.db2.gz NENHXXBMEBELBA-FQEVSTJZSA-N 2 1 389.547 4.288 20 0 GIADMP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1F ZINC000411665231 823595733 /nfs/dbraw/zinc/59/57/33/823595733.db2.gz FUDKRTMZRNXAAM-FQEVSTJZSA-N 2 1 376.903 4.288 20 0 GIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190778050 823607565 /nfs/dbraw/zinc/60/75/65/823607565.db2.gz NGUIPEKUXCFMOB-UHFFFAOYSA-N 2 1 381.314 4.053 20 0 GIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000461383629 823627168 /nfs/dbraw/zinc/62/71/68/823627168.db2.gz FCEAKJCLFFHJCH-UHFFFAOYSA-N 2 1 379.539 4.252 20 0 GIADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)F)cc1 ZINC000461383629 823627170 /nfs/dbraw/zinc/62/71/70/823627170.db2.gz FCEAKJCLFFHJCH-UHFFFAOYSA-N 3 1 379.539 4.252 20 0 GIADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)F)cc1 ZINC000461383629 823627172 /nfs/dbraw/zinc/62/71/72/823627172.db2.gz FCEAKJCLFFHJCH-UHFFFAOYSA-N 3 1 379.539 4.252 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000191280174 823666762 /nfs/dbraw/zinc/66/67/62/823666762.db2.gz FRFKYPAZNWUOJL-INIZCTEOSA-N 2 1 389.613 4.354 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000125498834 823680994 /nfs/dbraw/zinc/68/09/94/823680994.db2.gz MGZJNQYUDLBNAL-OAQYLSRUSA-N 2 1 396.535 4.038 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000163556369 823721533 /nfs/dbraw/zinc/72/15/33/823721533.db2.gz HBLAWFANSMGBQA-QGZVFWFLSA-N 2 1 395.526 4.407 20 0 GIADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1 ZINC000163567186 823722925 /nfs/dbraw/zinc/72/29/25/823722925.db2.gz QMBFKZNVUZJPTD-QGZVFWFLSA-N 2 1 395.526 4.407 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000163677863 823736062 /nfs/dbraw/zinc/73/60/62/823736062.db2.gz HDXAZZVEJVDBEM-IBGZPJMESA-N 2 1 398.547 4.200 20 0 GIADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486446 823745038 /nfs/dbraw/zinc/74/50/38/823745038.db2.gz FXUCBGCTLNKLHP-VXKWHMMOSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486446 823745042 /nfs/dbraw/zinc/74/50/42/823745042.db2.gz FXUCBGCTLNKLHP-VXKWHMMOSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486446 823745048 /nfs/dbraw/zinc/74/50/48/823745048.db2.gz FXUCBGCTLNKLHP-VXKWHMMOSA-N 2 1 380.532 4.190 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970318 823766598 /nfs/dbraw/zinc/76/65/98/823766598.db2.gz SDHOVTWWOKTSMI-GOSISDBHSA-N 2 1 386.511 4.166 20 0 GIADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163966254 823766873 /nfs/dbraw/zinc/76/68/73/823766873.db2.gz SNLXYJVWDRSQJA-HXUWFJFHSA-N 2 1 382.548 4.335 20 0 GIADMP CC[C@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562335 823767474 /nfs/dbraw/zinc/76/74/74/823767474.db2.gz CIHPWJCCVHZCDM-WZONZLPQSA-N 2 1 390.531 4.269 20 0 GIADMP CC[C@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562335 823767481 /nfs/dbraw/zinc/76/74/81/823767481.db2.gz CIHPWJCCVHZCDM-WZONZLPQSA-N 2 1 390.531 4.269 20 0 GIADMP CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562334 823767658 /nfs/dbraw/zinc/76/76/58/823767658.db2.gz CIHPWJCCVHZCDM-MBSDFSHPSA-N 2 1 390.531 4.269 20 0 GIADMP CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562334 823767663 /nfs/dbraw/zinc/76/76/63/823767663.db2.gz CIHPWJCCVHZCDM-MBSDFSHPSA-N 2 1 390.531 4.269 20 0 GIADMP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461977481 823779457 /nfs/dbraw/zinc/77/94/57/823779457.db2.gz NWWKKWXQKFOXBU-QHCPKHFHSA-N 2 1 385.596 4.010 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318285 823843125 /nfs/dbraw/zinc/84/31/25/823843125.db2.gz WRAOJIXADMBYJS-UNMCSNQZSA-N 2 1 391.559 4.029 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561689 823853406 /nfs/dbraw/zinc/85/34/06/823853406.db2.gz WAUMJAWNJRGPNS-RNHFSVANSA-N 2 1 388.559 4.417 20 0 GIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324336 823875333 /nfs/dbraw/zinc/87/53/33/823875333.db2.gz RQOGNSFAOLBTKN-XUVXKRRUSA-N 2 1 383.502 4.305 20 0 GIADMP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166470042 823878648 /nfs/dbraw/zinc/87/86/48/823878648.db2.gz ADDXALFKXKPFLU-BDTNDASRSA-N 2 1 380.532 4.204 20 0 GIADMP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1Cl ZINC000166605533 823880028 /nfs/dbraw/zinc/88/00/28/823880028.db2.gz KXRMFZBJCLTMPK-QZTJIDSGSA-N 2 1 382.379 4.174 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664627 823880405 /nfs/dbraw/zinc/88/04/05/823880405.db2.gz CMAVNFFMHIOZTL-CABCVRRESA-N 2 1 397.910 4.297 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830667 823961468 /nfs/dbraw/zinc/96/14/68/823961468.db2.gz KVHUEBYFLGQLOI-ZWKOTPCHSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830667 823961472 /nfs/dbraw/zinc/96/14/72/823961472.db2.gz KVHUEBYFLGQLOI-ZWKOTPCHSA-N 2 1 399.560 4.268 20 0 GIADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837766 824008788 /nfs/dbraw/zinc/00/87/88/824008788.db2.gz NEEDRUAELZHWQY-QHCPKHFHSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837766 824008791 /nfs/dbraw/zinc/00/87/91/824008791.db2.gz NEEDRUAELZHWQY-QHCPKHFHSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837766 824008793 /nfs/dbraw/zinc/00/87/93/824008793.db2.gz NEEDRUAELZHWQY-QHCPKHFHSA-N 2 1 392.572 4.247 20 0 GIADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837766 824008795 /nfs/dbraw/zinc/00/87/95/824008795.db2.gz NEEDRUAELZHWQY-QHCPKHFHSA-N 2 1 392.572 4.247 20 0 GIADMP COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000575878235 824017977 /nfs/dbraw/zinc/01/79/77/824017977.db2.gz AIILBQCSFBCYEB-KRWDZBQOSA-N 2 1 396.560 4.364 20 0 GIADMP COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000575878235 824017984 /nfs/dbraw/zinc/01/79/84/824017984.db2.gz AIILBQCSFBCYEB-KRWDZBQOSA-N 2 1 396.560 4.364 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883497 824018985 /nfs/dbraw/zinc/01/89/85/824018985.db2.gz VSDINERARKKYRX-FTRWYGJKSA-N 2 1 388.353 4.405 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883497 824018992 /nfs/dbraw/zinc/01/89/92/824018992.db2.gz VSDINERARKKYRX-FTRWYGJKSA-N 2 1 388.353 4.405 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000414702403 824024774 /nfs/dbraw/zinc/02/47/74/824024774.db2.gz BJUZHOZKGAWISH-HXUWFJFHSA-N 2 1 398.595 4.305 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714576 824025438 /nfs/dbraw/zinc/02/54/38/824025438.db2.gz QJDMPLYMSGQOIG-VQTJNVASSA-N 2 1 398.595 4.305 20 0 GIADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414719853 824026655 /nfs/dbraw/zinc/02/66/55/824026655.db2.gz ZXKGFDTXBUTHLA-PMSBKCLSSA-N 2 1 384.568 4.198 20 0 GIADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854234 824042658 /nfs/dbraw/zinc/04/26/58/824042658.db2.gz USPHTXAZSIQYJN-AAEUAGOBSA-N 2 1 379.854 4.039 20 0 GIADMP O=C(Nc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1Cl ZINC000414912007 824049093 /nfs/dbraw/zinc/04/90/93/824049093.db2.gz XKZXXOIDAHJOHQ-MRXNPFEDSA-N 2 1 392.330 4.477 20 0 GIADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948759 824053331 /nfs/dbraw/zinc/05/33/31/824053331.db2.gz YZVVHVRHFBKNDG-ORAYPTAESA-N 2 1 392.330 4.333 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026167 721815531 /nfs/dbraw/zinc/81/55/31/721815531.db2.gz PIXMMAHZJFDBKN-YUXAGFNASA-N 2 1 380.536 4.001 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356937 823048974 /nfs/dbraw/zinc/04/89/74/823048974.db2.gz GSTVWWGNAIZDLL-WIYYLYMNSA-N 2 1 379.548 4.500 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356937 823048979 /nfs/dbraw/zinc/04/89/79/823048979.db2.gz GSTVWWGNAIZDLL-WIYYLYMNSA-N 2 1 379.548 4.500 20 0 GIADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCCOc1cccc(C)c1 ZINC000121194135 823136107 /nfs/dbraw/zinc/13/61/07/823136107.db2.gz QFKQTQXUQCTXIB-UHFFFAOYSA-N 2 1 398.547 4.035 20 0 GIADMP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459381314 823178271 /nfs/dbraw/zinc/17/82/71/823178271.db2.gz BWOZKOADDYZOSM-UHFFFAOYSA-N 2 1 379.552 4.024 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405277 823185616 /nfs/dbraw/zinc/18/56/16/823185616.db2.gz FEEUIMPAMMFZML-LEWJYISDSA-N 2 1 393.575 4.227 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000121502352 823195708 /nfs/dbraw/zinc/19/57/08/823195708.db2.gz YSUQDMXANNDYLN-SUMWQHHRSA-N 2 1 378.314 4.094 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000176412318 823202782 /nfs/dbraw/zinc/20/27/82/823202782.db2.gz DFWLSGGCJKHCIN-UHFFFAOYSA-N 2 1 397.567 4.393 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924221 823254957 /nfs/dbraw/zinc/25/49/57/823254957.db2.gz FMSOJGLNSZNPBI-FYYLOGMGSA-N 2 1 393.575 4.407 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924221 823254960 /nfs/dbraw/zinc/25/49/60/823254960.db2.gz FMSOJGLNSZNPBI-FYYLOGMGSA-N 2 1 393.575 4.407 20 0 GIADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000571950957 823259369 /nfs/dbraw/zinc/25/93/69/823259369.db2.gz OOMBJQATDHMMHJ-UHFFFAOYSA-N 2 1 393.575 4.087 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126457 823287145 /nfs/dbraw/zinc/28/71/45/823287145.db2.gz FVGGKAVCMDCHAK-KNQAVFIVSA-N 2 1 399.604 4.030 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CC2)CC1 ZINC000572132420 823288314 /nfs/dbraw/zinc/28/83/14/823288314.db2.gz DPKFDIXOFAMSNV-UHFFFAOYSA-N 2 1 398.551 4.086 20 0 GIADMP Cc1nc2ccc(C[NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)cc2s1 ZINC000572220816 823303776 /nfs/dbraw/zinc/30/37/76/823303776.db2.gz XOMQHHSQGYBCQJ-UHFFFAOYSA-N 2 1 384.549 4.211 20 0 GIADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000122214894 823322718 /nfs/dbraw/zinc/32/27/18/823322718.db2.gz FQUCFOROZUUMLE-UHFFFAOYSA-N 2 1 394.510 4.002 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000122214894 823322724 /nfs/dbraw/zinc/32/27/24/823322724.db2.gz FQUCFOROZUUMLE-UHFFFAOYSA-N 2 1 394.510 4.002 20 0 GIADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844002 823340532 /nfs/dbraw/zinc/34/05/32/823340532.db2.gz QFOHHJWJAHREIM-NRFANRHFSA-N 2 1 393.575 4.474 20 0 GIADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671143 823379348 /nfs/dbraw/zinc/37/93/48/823379348.db2.gz ROXPQGCJGQDXPQ-QFBILLFUSA-N 2 1 390.474 4.297 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000572719362 823388369 /nfs/dbraw/zinc/38/83/69/823388369.db2.gz XOGSAWRLDWRIKN-IERDGZPVSA-N 2 1 376.504 4.084 20 0 GIADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC000572841317 823408017 /nfs/dbraw/zinc/40/80/17/823408017.db2.gz OHWLWBOUDQBSAL-RTWAWAEBSA-N 2 1 388.515 4.099 20 0 GIADMP C[NH+]1CCC([NH2+]CCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000177262235 823413064 /nfs/dbraw/zinc/41/30/64/823413064.db2.gz NHQWLGKZHXVPTD-UHFFFAOYSA-N 2 1 394.950 4.419 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1F ZINC000573054710 823441179 /nfs/dbraw/zinc/44/11/79/823441179.db2.gz XCPKVVSDVLBAJZ-UHFFFAOYSA-N 2 1 386.858 4.092 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100719 823447448 /nfs/dbraw/zinc/44/74/48/823447448.db2.gz IOCNIIKOVVATHO-KGVIQGDOSA-N 2 1 377.532 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100719 823447449 /nfs/dbraw/zinc/44/74/49/823447449.db2.gz IOCNIIKOVVATHO-KGVIQGDOSA-N 2 1 377.532 4.275 20 0 GIADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177509340 823479658 /nfs/dbraw/zinc/47/96/58/823479658.db2.gz RERBDNQHSULWBI-OTWHNJEPSA-N 2 1 398.551 4.009 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377483 823521522 /nfs/dbraw/zinc/52/15/22/823521522.db2.gz IVVBUEJEHZUCSL-IBGZPJMESA-N 2 1 397.538 4.305 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177837152 823534162 /nfs/dbraw/zinc/53/41/62/823534162.db2.gz LDGQXIYMBMVAFA-GOSISDBHSA-N 2 1 392.609 4.174 20 0 GIADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000042229105 821288608 /nfs/dbraw/zinc/28/86/08/821288608.db2.gz MIWNFUVDBNKHBQ-QGZVFWFLSA-N 2 1 378.545 4.175 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640466 821378984 /nfs/dbraw/zinc/37/89/84/821378984.db2.gz KCMBSDLSABLQJB-QRWLVFNGSA-N 2 1 378.438 4.123 20 0 GIADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000043391379 821401161 /nfs/dbraw/zinc/40/11/61/821401161.db2.gz YHJMYBDALXZRIZ-OAQYLSRUSA-N 2 1 398.551 4.469 20 0 GIADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000043391379 821401165 /nfs/dbraw/zinc/40/11/65/821401165.db2.gz YHJMYBDALXZRIZ-OAQYLSRUSA-N 2 1 398.551 4.469 20 0 GIADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423506 /nfs/dbraw/zinc/42/35/06/821423506.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423512 /nfs/dbraw/zinc/42/35/12/821423512.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423517 /nfs/dbraw/zinc/42/35/17/821423517.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423521 /nfs/dbraw/zinc/42/35/21/821423521.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 2 1 386.561 4.252 20 0 GIADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000180985032 821574903 /nfs/dbraw/zinc/57/49/03/821574903.db2.gz STFNICSUKMPJFD-JOCHJYFZSA-N 2 1 376.500 4.193 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000180985032 821574909 /nfs/dbraw/zinc/57/49/09/821574909.db2.gz STFNICSUKMPJFD-JOCHJYFZSA-N 2 1 376.500 4.193 20 0 GIADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000181211483 821699625 /nfs/dbraw/zinc/69/96/25/821699625.db2.gz QZTPRLHXPYVGRV-QGZVFWFLSA-N 2 1 385.508 4.069 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000181390986 821801386 /nfs/dbraw/zinc/80/13/86/821801386.db2.gz HDSOJBRAXNKPOG-CYBMUJFWSA-N 2 1 388.512 4.124 20 0 GIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3ccccc3s2)CC1 ZINC000181627340 821911240 /nfs/dbraw/zinc/91/12/40/821911240.db2.gz PUHGNDPDXNJFCA-INIZCTEOSA-N 2 1 398.551 4.428 20 0 GIADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740333 821971377 /nfs/dbraw/zinc/97/13/77/821971377.db2.gz LIKDRLCIJXJHGR-WOJBJXKFSA-N 2 1 377.573 4.077 20 0 GIADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740297 821971461 /nfs/dbraw/zinc/97/14/61/821971461.db2.gz LIKDRLCIJXJHGR-UXHICEINSA-N 2 1 377.573 4.077 20 0 GIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225078 822155596 /nfs/dbraw/zinc/15/55/96/822155596.db2.gz DIJPIXMNSGGPBE-FYYLOGMGSA-N 2 1 382.548 4.201 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000182225568 822155724 /nfs/dbraw/zinc/15/57/24/822155724.db2.gz HJOYLKGJFKXUHW-NQIIRXRSSA-N 2 1 386.536 4.109 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244190 822164794 /nfs/dbraw/zinc/16/47/94/822164794.db2.gz PMGGIWNHSDXVGW-HNAYVOBHSA-N 2 1 376.903 4.287 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244190 822164800 /nfs/dbraw/zinc/16/48/00/822164800.db2.gz PMGGIWNHSDXVGW-HNAYVOBHSA-N 2 1 376.903 4.287 20 0 GIADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244795 822165881 /nfs/dbraw/zinc/16/58/81/822165881.db2.gz VUBHVLAGSGYZQY-VWNXMTODSA-N 2 1 394.559 4.264 20 0 GIADMP CCOC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000182421453 822236810 /nfs/dbraw/zinc/23/68/10/822236810.db2.gz JJLACYDGDKEWJH-UHFFFAOYSA-N 2 1 384.520 4.123 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)cc1C[NH+]1CCCCC1 ZINC000182539380 822290980 /nfs/dbraw/zinc/29/09/80/822290980.db2.gz FVGPDRPQGDMYBM-KRWDZBQOSA-N 2 1 382.504 4.261 20 0 GIADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178239881 822357510 /nfs/dbraw/zinc/35/75/10/822357510.db2.gz PSCQOKNVEAPHRC-MGPUTAFESA-N 2 1 391.437 4.099 20 0 GIADMP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCO2)c1 ZINC000453407908 822358664 /nfs/dbraw/zinc/35/86/64/822358664.db2.gz DXLINUBPSODCNR-ZSYZGHEHSA-N 2 1 382.573 4.468 20 0 GIADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000045193079 822369458 /nfs/dbraw/zinc/36/94/58/822369458.db2.gz YUYWDSHHKDNXCY-UHFFFAOYSA-N 3 1 399.623 4.296 20 0 GIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616781 822396398 /nfs/dbraw/zinc/39/63/98/822396398.db2.gz ZBUDKKUWWXUXCK-IIBYNOLFSA-N 2 1 386.536 4.373 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616781 822396400 /nfs/dbraw/zinc/39/64/00/822396400.db2.gz ZBUDKKUWWXUXCK-IIBYNOLFSA-N 2 1 386.536 4.373 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178695244 822403345 /nfs/dbraw/zinc/40/33/45/822403345.db2.gz YQZARMYKCQZGBN-CQSZACIVSA-N 2 1 376.451 4.014 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140292 822429828 /nfs/dbraw/zinc/42/98/28/822429828.db2.gz XIHVCMQRIWSBSY-ROUUACIJSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142839 822430248 /nfs/dbraw/zinc/43/02/48/822430248.db2.gz CGNHUODZRSNYCA-KGLIPLIRSA-N 2 1 384.430 4.137 20 0 GIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000183141523 822430298 /nfs/dbraw/zinc/43/02/98/822430298.db2.gz FZDOQHKYTTXDTJ-RBQRNVLBSA-N 2 1 392.547 4.129 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145475 822430731 /nfs/dbraw/zinc/43/07/31/822430731.db2.gz NASRTQDREJRUMZ-KGLIPLIRSA-N 2 1 384.430 4.137 20 0 GIADMP Clc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000183171354 822435267 /nfs/dbraw/zinc/43/52/67/822435267.db2.gz FZWXLGQXXJTARO-VQTJNVASSA-N 2 1 382.379 4.174 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672171 822508937 /nfs/dbraw/zinc/50/89/37/822508937.db2.gz DDSFQDGASXQDDN-KSFYIVLOSA-N 2 1 399.922 4.062 20 0 GIADMP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183673139 822509222 /nfs/dbraw/zinc/50/92/22/822509222.db2.gz HAYVGXDYZPYXRW-JKSUJKDBSA-N 2 1 390.487 4.061 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000183678849 822510042 /nfs/dbraw/zinc/51/00/42/822510042.db2.gz YXQOGEVXBQEXHY-OAHLLOKOSA-N 2 1 382.895 4.432 20 0 GIADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688098 822511561 /nfs/dbraw/zinc/51/15/61/822511561.db2.gz AHWCOJPIYMNZJN-IRXDYDNUSA-N 2 1 376.504 4.421 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000047571379 822592447 /nfs/dbraw/zinc/59/24/47/822592447.db2.gz UBAXTBCNJXQKKR-UHFFFAOYSA-N 2 1 395.551 4.147 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180023667 822598957 /nfs/dbraw/zinc/59/89/57/822598957.db2.gz XONZOOLOJVCLCZ-QHCPKHFHSA-N 2 1 380.511 4.280 20 0 GIADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000047977110 822623588 /nfs/dbraw/zinc/62/35/88/822623588.db2.gz UGQZFUPZLRXVCS-HSZRJFAPSA-N 2 1 399.604 4.008 20 0 GIADMP COc1ccc(OC)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000174452504 822791801 /nfs/dbraw/zinc/79/18/01/822791801.db2.gz FAGBWLJMWQICDO-UHFFFAOYSA-N 2 1 380.488 4.219 20 0 GIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706868 822812350 /nfs/dbraw/zinc/81/23/50/822812350.db2.gz JFOQZDDXJYQDNT-LVCYWYKZSA-N 2 1 385.596 4.381 20 0 GIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706868 822812353 /nfs/dbraw/zinc/81/23/53/822812353.db2.gz JFOQZDDXJYQDNT-LVCYWYKZSA-N 2 1 385.596 4.381 20 0 GIADMP C[C@@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768833 822819530 /nfs/dbraw/zinc/81/95/30/822819530.db2.gz QIMHUDGQHOKTOY-CVEARBPZSA-N 2 1 381.358 4.071 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3csc(C(C)C)n3)CC2)oc1C ZINC000186334183 822877611 /nfs/dbraw/zinc/87/76/11/822877611.db2.gz HVWOUGZHSJWQHZ-OAHLLOKOSA-N 2 1 376.570 4.434 20 0 GIADMP COC(=O)c1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000569150286 822884243 /nfs/dbraw/zinc/88/42/43/822884243.db2.gz YUAPSHYIZPNNAT-MIJOPJBOSA-N 2 1 384.545 4.381 20 0 GIADMP COC(=O)c1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000569150286 822884248 /nfs/dbraw/zinc/88/42/48/822884248.db2.gz YUAPSHYIZPNNAT-MIJOPJBOSA-N 2 1 384.545 4.381 20 0 GIADMP C[C@H]1CC[C@@](C)(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000457633273 822899207 /nfs/dbraw/zinc/89/92/07/822899207.db2.gz ONYFQRYZGYQSKA-CYFREDJKSA-N 2 1 391.644 4.104 20 0 GIADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928284 822986875 /nfs/dbraw/zinc/98/68/75/822986875.db2.gz AHBODLRVVJNTRQ-KBMXLJTQSA-N 2 1 394.441 4.138 20 0 GIADMP Clc1ccc(Cc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000570097839 823005565 /nfs/dbraw/zinc/00/55/65/823005565.db2.gz LSMLGKRGRKFJQI-LJQANCHMSA-N 2 1 375.969 4.351 20 0 GIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)cc3F)CC2)[nH+]1 ZINC000187217463 823026330 /nfs/dbraw/zinc/02/63/30/823026330.db2.gz BAZDHIRXXASCPW-ZDUSSCGKSA-N 2 1 393.304 4.006 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000187247631 823030217 /nfs/dbraw/zinc/03/02/17/823030217.db2.gz GFKGHMWHVZTONV-UHFFFAOYSA-N 2 1 388.515 4.219 20 0 GIADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000124005760 823559208 /nfs/dbraw/zinc/55/92/08/823559208.db2.gz YDXCZYUACZYUAG-HDICACEKSA-N 2 1 394.515 4.340 20 0 GIADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000124005760 823559210 /nfs/dbraw/zinc/55/92/10/823559210.db2.gz YDXCZYUACZYUAG-HDICACEKSA-N 2 1 394.515 4.340 20 0 GIADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248283 823560364 /nfs/dbraw/zinc/56/03/64/823560364.db2.gz ATHWVXUHVXUKAX-XZOQPEGZSA-N 2 1 383.967 4.141 20 0 GIADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262500 823560872 /nfs/dbraw/zinc/56/08/72/823560872.db2.gz HQTKFEQSTCATCX-QFIPXVFZSA-N 2 1 385.596 4.047 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2)cc1 ZINC000061003158 823572369 /nfs/dbraw/zinc/57/23/69/823572369.db2.gz UFZICEKRMBDFCV-UHFFFAOYSA-N 2 1 395.547 4.346 20 0 GIADMP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514427 823583171 /nfs/dbraw/zinc/58/31/71/823583171.db2.gz GBQQNKZWTJPOLB-RDJZCZTQSA-N 2 1 388.943 4.175 20 0 GIADMP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514428 823583290 /nfs/dbraw/zinc/58/32/90/823583290.db2.gz GBQQNKZWTJPOLB-WBVHZDCISA-N 2 1 388.943 4.175 20 0 GIADMP CSc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411547337 823587382 /nfs/dbraw/zinc/58/73/82/823587382.db2.gz BZCRUXBCZVNLEX-ICSRJNTNSA-N 2 1 397.588 4.237 20 0 GIADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)cs2)cs1 ZINC000124436605 823596662 /nfs/dbraw/zinc/59/66/62/823596662.db2.gz JVQJBWAKNHCYHM-OAHLLOKOSA-N 2 1 392.638 4.104 20 0 GIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124493814 823601214 /nfs/dbraw/zinc/60/12/14/823601214.db2.gz YLWALPXMYUNZAC-KRWDZBQOSA-N 2 1 386.609 4.043 20 0 GIADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc(Br)c1OC ZINC000061558237 823603796 /nfs/dbraw/zinc/60/37/96/823603796.db2.gz HEKAGSZLNYIRIH-UHFFFAOYSA-N 2 1 399.373 4.068 20 0 GIADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614773 823611324 /nfs/dbraw/zinc/61/13/24/823611324.db2.gz BZCFOZBEYUYDJB-FUHIMQAGSA-N 2 1 399.604 4.482 20 0 GIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc2)c1 ZINC000062426868 823635255 /nfs/dbraw/zinc/63/52/55/823635255.db2.gz RSOZGCUKIJYZFT-IBGZPJMESA-N 2 1 384.520 4.316 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464031 823678210 /nfs/dbraw/zinc/67/82/10/823678210.db2.gz VMRTXJKZVKTJKR-HXOBKFHXSA-N 2 1 379.504 4.352 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473135 823689017 /nfs/dbraw/zinc/68/90/17/823689017.db2.gz OBEBPEVYRFSXIT-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473135 823689018 /nfs/dbraw/zinc/68/90/18/823689018.db2.gz OBEBPEVYRFSXIT-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492469 823690760 /nfs/dbraw/zinc/69/07/60/823690760.db2.gz BBKVKSIBLRMBFG-SFHVURJKSA-N 2 1 378.520 4.338 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492469 823690763 /nfs/dbraw/zinc/69/07/63/823690763.db2.gz BBKVKSIBLRMBFG-SFHVURJKSA-N 2 1 378.520 4.338 20 0 GIADMP COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)ccc1OC(F)F ZINC000163471774 823713376 /nfs/dbraw/zinc/71/33/76/823713376.db2.gz XHFLVWAMKHUHDU-OAHLLOKOSA-N 2 1 391.462 4.320 20 0 GIADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823744993 /nfs/dbraw/zinc/74/49/93/823744993.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823745001 /nfs/dbraw/zinc/74/50/01/823745001.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 2 1 380.532 4.190 20 0 GIADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823745012 /nfs/dbraw/zinc/74/50/12/823745012.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 2 1 380.532 4.190 20 0 GIADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574519325 823754023 /nfs/dbraw/zinc/75/40/23/823754023.db2.gz OGOXYZFIWGLPPJ-QUCCMNQESA-N 2 1 393.531 4.127 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000125964136 823754905 /nfs/dbraw/zinc/75/49/05/823754905.db2.gz CXFWWBYYOBIXHL-UHFFFAOYSA-N 2 1 381.495 4.042 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163934029 823762775 /nfs/dbraw/zinc/76/27/75/823762775.db2.gz NAPABHOVLWDWRE-DEOSSOPVSA-N 2 1 398.522 4.092 20 0 GIADMP Clc1sccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586330 823772855 /nfs/dbraw/zinc/77/28/55/823772855.db2.gz BWFRUGDBUYGPDS-LJQANCHMSA-N 2 1 390.980 4.420 20 0 GIADMP Clc1sccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586330 823772859 /nfs/dbraw/zinc/77/28/59/823772859.db2.gz BWFRUGDBUYGPDS-LJQANCHMSA-N 2 1 390.980 4.420 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511452 823806166 /nfs/dbraw/zinc/80/61/66/823806166.db2.gz LCLSWEDADCKMAR-WRHNGFHOSA-N 2 1 396.556 4.500 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(Br)c1OC ZINC000574725564 823810497 /nfs/dbraw/zinc/81/04/97/823810497.db2.gz GBKIXHFIVGBHLL-UHFFFAOYSA-N 2 1 380.330 4.129 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(Br)c1OC ZINC000574725564 823810501 /nfs/dbraw/zinc/81/05/01/823810501.db2.gz GBKIXHFIVGBHLL-UHFFFAOYSA-N 2 1 380.330 4.129 20 0 GIADMP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113587 823832077 /nfs/dbraw/zinc/83/20/77/823832077.db2.gz TXZJOQITIGZSBF-XLIONFOSSA-N 2 1 383.502 4.162 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118209 823834222 /nfs/dbraw/zinc/83/42/22/823834222.db2.gz DUYRHDZHMFYCOO-PMACEKPBSA-N 2 1 384.486 4.432 20 0 GIADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297347 823842729 /nfs/dbraw/zinc/84/27/29/823842729.db2.gz KXPAZUWKPQIKQG-PZJWPPBQSA-N 2 1 382.548 4.227 20 0 GIADMP Fc1ccc(CN2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000165360435 823845632 /nfs/dbraw/zinc/84/56/32/823845632.db2.gz FUSURYMSGKJBOM-UHFFFAOYSA-N 2 1 395.566 4.087 20 0 GIADMP c1cc2c(s1)CCN([C@@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871276 /nfs/dbraw/zinc/87/12/76/823871276.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 1 381.589 4.064 20 0 GIADMP c1cnn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466693 823878060 /nfs/dbraw/zinc/87/80/60/823878060.db2.gz WELITOZONCIFDQ-DNQXCXABSA-N 2 1 386.543 4.315 20 0 GIADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126509795 823887687 /nfs/dbraw/zinc/88/76/87/823887687.db2.gz DVNPKPCDBXUZEM-WZYMTQMTSA-N 2 1 383.458 4.027 20 0 GIADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126509795 823887688 /nfs/dbraw/zinc/88/76/88/823887688.db2.gz DVNPKPCDBXUZEM-WZYMTQMTSA-N 2 1 383.458 4.027 20 0 GIADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180427 823932957 /nfs/dbraw/zinc/93/29/57/823932957.db2.gz VGYAFLMFMQNKCY-FYYLOGMGSA-N 2 1 389.543 4.271 20 0 GIADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180427 823932967 /nfs/dbraw/zinc/93/29/67/823932967.db2.gz VGYAFLMFMQNKCY-FYYLOGMGSA-N 2 1 389.543 4.271 20 0 GIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1SC ZINC000126723067 823936004 /nfs/dbraw/zinc/93/60/04/823936004.db2.gz OYXKGIAHISRGJJ-SFHVURJKSA-N 2 1 399.604 4.015 20 0 GIADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000414252833 823941731 /nfs/dbraw/zinc/94/17/31/823941731.db2.gz SXIASJOJDJOFAV-XTKMRXRUSA-N 2 1 396.579 4.013 20 0 GIADMP CN(c1ccccc1C[N@H+](Cc1ccc(O)cc1)CC1CC1)C1CC[NH+](C)CC1 ZINC000575218860 823942814 /nfs/dbraw/zinc/94/28/14/823942814.db2.gz MIZAYNIWAWGADK-UHFFFAOYSA-N 2 1 393.575 4.335 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791305 823952098 /nfs/dbraw/zinc/95/20/98/823952098.db2.gz ZSIBZASLDKMAAW-ZWKOTPCHSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791305 823952107 /nfs/dbraw/zinc/95/21/07/823952107.db2.gz ZSIBZASLDKMAAW-ZWKOTPCHSA-N 2 1 399.560 4.268 20 0 GIADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000126807048 823956281 /nfs/dbraw/zinc/95/62/81/823956281.db2.gz PJVJKYJAKPGHEP-RTBURBONSA-N 2 1 388.577 4.336 20 0 GIADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000126807048 823956292 /nfs/dbraw/zinc/95/62/92/823956292.db2.gz PJVJKYJAKPGHEP-RTBURBONSA-N 2 1 388.577 4.336 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126846997 823965173 /nfs/dbraw/zinc/96/51/73/823965173.db2.gz WTUDDAQIRSQSSA-TZPNTHKFSA-N 2 1 376.591 4.048 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126846997 823965179 /nfs/dbraw/zinc/96/51/79/823965179.db2.gz WTUDDAQIRSQSSA-TZPNTHKFSA-N 2 1 376.591 4.048 20 0 GIADMP Cc1ccc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414453944 823988069 /nfs/dbraw/zinc/98/80/69/823988069.db2.gz CGCDQBHGRLRIDG-DEOSSOPVSA-N 2 1 378.564 4.442 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883498 824019133 /nfs/dbraw/zinc/01/91/33/824019133.db2.gz VSDINERARKKYRX-GQIGUUNPSA-N 2 1 388.353 4.405 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883498 824019141 /nfs/dbraw/zinc/01/91/41/824019141.db2.gz VSDINERARKKYRX-GQIGUUNPSA-N 2 1 388.353 4.405 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000414703008 824025144 /nfs/dbraw/zinc/02/51/44/824025144.db2.gz BSEHXDLGIBGOMM-DZFGPLHGSA-N 2 1 384.568 4.042 20 0 GIADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359994433 206277547 /nfs/dbraw/zinc/27/75/47/206277547.db2.gz BMGOROQQRIOKNT-YLJYHZDGSA-N 2 1 383.502 4.046 20 0 GIADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000359994433 206277550 /nfs/dbraw/zinc/27/75/50/206277550.db2.gz BMGOROQQRIOKNT-YLJYHZDGSA-N 2 1 383.502 4.046 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164791363 721496622 /nfs/dbraw/zinc/49/66/22/721496622.db2.gz BRAZOBVVZLFMDF-UHFFFAOYSA-N 2 1 375.520 4.147 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)[nH+]1 ZINC001164909599 721755956 /nfs/dbraw/zinc/75/59/56/721755956.db2.gz JLRUESKDLJIHDW-UHFFFAOYSA-N 2 1 387.487 4.054 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)[nH+]1 ZINC001164909599 721755963 /nfs/dbraw/zinc/75/59/63/721755963.db2.gz JLRUESKDLJIHDW-UHFFFAOYSA-N 2 1 387.487 4.054 20 0 GIADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515642 823048726 /nfs/dbraw/zinc/04/87/26/823048726.db2.gz MEXZRRDKKAHFTK-UXHICEINSA-N 2 1 380.532 4.192 20 0 GIADMP C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120796907 823066159 /nfs/dbraw/zinc/06/61/59/823066159.db2.gz HYUCLYSAYKQMEL-YKSBVNFPSA-N 2 1 381.564 4.115 20 0 GIADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984584 823097634 /nfs/dbraw/zinc/09/76/34/823097634.db2.gz GMZOCELXPYDGKQ-KRWDZBQOSA-N 2 1 388.531 4.304 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984584 823097635 /nfs/dbraw/zinc/09/76/35/823097635.db2.gz GMZOCELXPYDGKQ-KRWDZBQOSA-N 2 1 388.531 4.304 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984584 823097642 /nfs/dbraw/zinc/09/76/42/823097642.db2.gz GMZOCELXPYDGKQ-KRWDZBQOSA-N 2 1 388.531 4.304 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187745957 823124320 /nfs/dbraw/zinc/12/43/20/823124320.db2.gz HUBBZQJXURYSKJ-KRWDZBQOSA-N 2 1 396.535 4.399 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176440 /nfs/dbraw/zinc/17/64/40/823176440.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176443 /nfs/dbraw/zinc/17/64/43/823176443.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176448 /nfs/dbraw/zinc/17/64/48/823176448.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 2 1 381.568 4.222 20 0 GIADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000571427862 823181332 /nfs/dbraw/zinc/18/13/32/823181332.db2.gz PYXWPAQAQUQOID-QLBJFCOMSA-N 2 1 394.607 4.250 20 0 GIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431446 823190725 /nfs/dbraw/zinc/19/07/25/823190725.db2.gz RDTKRCBAINXYLE-IBGZPJMESA-N 2 1 381.568 4.270 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000571533568 823197298 /nfs/dbraw/zinc/19/72/98/823197298.db2.gz VWOSYRRYXXDUJW-IBGZPJMESA-N 2 1 381.564 4.015 20 0 GIADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699808 823221183 /nfs/dbraw/zinc/22/11/83/823221183.db2.gz KXFNGODIPFTKSK-KRWDZBQOSA-N 2 1 398.016 4.165 20 0 GIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)CC1 ZINC000459552111 823218779 /nfs/dbraw/zinc/21/87/79/823218779.db2.gz RCKICOBJRGKESK-FQEVSTJZSA-N 2 1 393.579 4.224 20 0 GIADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121662597 823225153 /nfs/dbraw/zinc/22/51/53/823225153.db2.gz UXESHFFBUUAQMZ-HNNXBMFYSA-N 2 1 376.932 4.039 20 0 GIADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726696 823257275 /nfs/dbraw/zinc/25/72/75/823257275.db2.gz GNAUPFYZEHAUPJ-OAHLLOKOSA-N 2 1 379.957 4.197 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459746225 823259585 /nfs/dbraw/zinc/25/95/85/823259585.db2.gz ZDBPWKSDVOLWAC-GOSISDBHSA-N 2 1 384.568 4.135 20 0 GIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291353 823314392 /nfs/dbraw/zinc/31/43/92/823314392.db2.gz KHYWENGFEYQDGC-GOSISDBHSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291353 823314402 /nfs/dbraw/zinc/31/44/02/823314402.db2.gz KHYWENGFEYQDGC-GOSISDBHSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291353 823314406 /nfs/dbraw/zinc/31/44/06/823314406.db2.gz KHYWENGFEYQDGC-GOSISDBHSA-N 2 1 396.560 4.103 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291353 823314418 /nfs/dbraw/zinc/31/44/18/823314418.db2.gz KHYWENGFEYQDGC-GOSISDBHSA-N 2 1 396.560 4.103 20 0 GIADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326096 823320711 /nfs/dbraw/zinc/32/07/11/823320711.db2.gz ATNDVIGVMVKJFM-ZRCGQRJVSA-N 2 1 378.601 4.080 20 0 GIADMP CC1(C)CC[C@H](C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326096 823320717 /nfs/dbraw/zinc/32/07/17/823320717.db2.gz ATNDVIGVMVKJFM-ZRCGQRJVSA-N 2 1 378.601 4.080 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000572364731 823328107 /nfs/dbraw/zinc/32/81/07/823328107.db2.gz QMOIXXWLSMMBES-FKEBYFGASA-N 2 1 377.532 4.042 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000572364731 823328114 /nfs/dbraw/zinc/32/81/14/823328114.db2.gz QMOIXXWLSMMBES-FKEBYFGASA-N 2 1 377.532 4.042 20 0 GIADMP C[C@@H](O)[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929155 823329672 /nfs/dbraw/zinc/32/96/72/823329672.db2.gz XLQWUFWDSAZAFM-NLFFAJNJSA-N 2 1 398.566 4.052 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1Br ZINC000122303397 823335120 /nfs/dbraw/zinc/33/51/20/823335120.db2.gz PIBUVMXFGFIFJP-HNNXBMFYSA-N 2 1 377.326 4.240 20 0 GIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000057843874 823340497 /nfs/dbraw/zinc/34/04/97/823340497.db2.gz ILFNWHOSECNUPN-UHFFFAOYSA-N 2 1 382.533 4.142 20 0 GIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000057843874 823340504 /nfs/dbraw/zinc/34/05/04/823340504.db2.gz ILFNWHOSECNUPN-UHFFFAOYSA-N 2 1 382.533 4.142 20 0 GIADMP CCOc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000057888693 823345318 /nfs/dbraw/zinc/34/53/18/823345318.db2.gz UVLGJQGTMCFWGB-UHFFFAOYSA-N 2 1 398.551 4.223 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460390934 823373671 /nfs/dbraw/zinc/37/36/71/823373671.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 2 1 393.373 4.269 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460390934 823373678 /nfs/dbraw/zinc/37/36/78/823373678.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 2 1 393.373 4.269 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189282788 823386525 /nfs/dbraw/zinc/38/65/25/823386525.db2.gz KKSHFCICQSQKGQ-QGZVFWFLSA-N 2 1 389.478 4.415 20 0 GIADMP C[C@H](O)C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841353 823408066 /nfs/dbraw/zinc/40/80/66/823408066.db2.gz RCSJKSQWFOXUKU-OYDLWJJNSA-N 2 1 378.560 4.328 20 0 GIADMP C[C@H](O)C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841353 823408069 /nfs/dbraw/zinc/40/80/69/823408069.db2.gz RCSJKSQWFOXUKU-OYDLWJJNSA-N 2 1 378.560 4.328 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371465 823447664 /nfs/dbraw/zinc/44/76/64/823447664.db2.gz POXLOFNZVMRORZ-APWZRJJASA-N 2 1 393.597 4.120 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371465 823447667 /nfs/dbraw/zinc/44/76/67/823447667.db2.gz POXLOFNZVMRORZ-APWZRJJASA-N 2 1 393.597 4.120 20 0 GIADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000190048650 823530515 /nfs/dbraw/zinc/53/05/15/823530515.db2.gz YGQOYRAIHIJAAD-OAQYLSRUSA-N 2 1 397.529 4.130 20 0 GIADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180987090 821575782 /nfs/dbraw/zinc/57/57/82/821575782.db2.gz AVWLOTBDOIDLEN-JOCHJYFZSA-N 2 1 394.490 4.332 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180987090 821575789 /nfs/dbraw/zinc/57/57/89/821575789.db2.gz AVWLOTBDOIDLEN-JOCHJYFZSA-N 2 1 394.490 4.332 20 0 GIADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180988698 821577138 /nfs/dbraw/zinc/57/71/38/821577138.db2.gz OXBONKYIXREFQL-NRFANRHFSA-N 2 1 392.499 4.318 20 0 GIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180988698 821577144 /nfs/dbraw/zinc/57/71/44/821577144.db2.gz OXBONKYIXREFQL-NRFANRHFSA-N 2 1 392.499 4.318 20 0 GIADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107420 821636484 /nfs/dbraw/zinc/63/64/84/821636484.db2.gz GZIXATZYVGWYOH-HXUWFJFHSA-N 2 1 393.358 4.324 20 0 GIADMP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201904 821694030 /nfs/dbraw/zinc/69/40/30/821694030.db2.gz FZZSSHJTJPOQNP-PKOBYXMFSA-N 2 1 391.563 4.429 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)cc1)C(C)C ZINC000181662796 821929917 /nfs/dbraw/zinc/92/99/17/821929917.db2.gz UKSXFOGYQAOUNF-SIKLNZKXSA-N 2 1 385.596 4.300 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1)C(C)C ZINC000181662796 821929922 /nfs/dbraw/zinc/92/99/22/821929922.db2.gz UKSXFOGYQAOUNF-SIKLNZKXSA-N 2 1 385.596 4.300 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1)C(C)C ZINC000181662796 821929932 /nfs/dbraw/zinc/92/99/32/821929932.db2.gz UKSXFOGYQAOUNF-SIKLNZKXSA-N 2 1 385.596 4.300 20 0 GIADMP COc1ccccc1[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263787 822176714 /nfs/dbraw/zinc/17/67/14/822176714.db2.gz DYKQASOVTFYCAH-DHLKQENFSA-N 2 1 394.559 4.283 20 0 GIADMP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182267762 822179080 /nfs/dbraw/zinc/17/90/80/822179080.db2.gz RGWGQOCZODUGOA-UTKZUKDTSA-N 2 1 394.515 4.249 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000182270118 822180452 /nfs/dbraw/zinc/18/04/52/822180452.db2.gz JYKFUYLOTOUOHA-BJKOFHAPSA-N 2 1 382.523 4.413 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000177979794 822267840 /nfs/dbraw/zinc/26/78/40/822267840.db2.gz ZHSYQOJVHWRQRI-UHFFFAOYSA-N 2 1 391.559 4.449 20 0 GIADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178167795 822339385 /nfs/dbraw/zinc/33/93/85/822339385.db2.gz HGODJKZIWMWGHG-LJQANCHMSA-N 2 1 387.568 4.000 20 0 GIADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000182686463 822351171 /nfs/dbraw/zinc/35/11/71/822351171.db2.gz SETGNDXUZRMOGX-FQEVSTJZSA-N 2 1 387.568 4.030 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000182825836 822373856 /nfs/dbraw/zinc/37/38/56/822373856.db2.gz MSRBXANKMWHZLL-RBUKOAKNSA-N 3 1 384.568 4.173 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000178699653 822403821 /nfs/dbraw/zinc/40/38/21/822403821.db2.gz LPDBWQFKINFCMZ-DYVFJYSZSA-N 2 1 378.314 4.094 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101530 822424480 /nfs/dbraw/zinc/42/44/80/822424480.db2.gz DJMKOMBEJBSSBG-FPOVZHCZSA-N 2 1 379.548 4.403 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000183144259 822430533 /nfs/dbraw/zinc/43/05/33/822430533.db2.gz UHXUPYWSTFCYRF-CYBMUJFWSA-N 2 1 386.858 4.263 20 0 GIADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183152808 822432234 /nfs/dbraw/zinc/43/22/34/822432234.db2.gz ARYPWPNEIUXNAC-HOTGVXAUSA-N 2 1 390.487 4.061 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183190975 822438688 /nfs/dbraw/zinc/43/86/88/822438688.db2.gz MSDPVXLURZEDRV-NLWGTHIKSA-N 2 1 390.568 4.024 20 0 GIADMP C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191260 822438950 /nfs/dbraw/zinc/43/89/50/822438950.db2.gz YGBLUOQBJFFECZ-KVZCDSOOSA-N 2 1 381.564 4.062 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391521 822476106 /nfs/dbraw/zinc/47/61/06/822476106.db2.gz DYIXPVHJUCWLCH-FQEVSTJZSA-N 2 1 394.563 4.264 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000183689279 822511902 /nfs/dbraw/zinc/51/19/02/822511902.db2.gz RSUFKJFDGMEIAS-SFHVURJKSA-N 2 1 388.515 4.027 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nc4ccccc4n3C)CC2)cs1 ZINC000180108446 822616748 /nfs/dbraw/zinc/61/67/48/822616748.db2.gz OXLUVBVSCGFRCI-MRXNPFEDSA-N 2 1 397.592 4.155 20 0 GIADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OCc1cccnc1 ZINC000184331448 822616861 /nfs/dbraw/zinc/61/68/61/822616861.db2.gz GGSJZAVMUGNRQU-IBGZPJMESA-N 2 1 383.536 4.023 20 0 GIADMP COc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C(C)C)cc1 ZINC000180109159 822617021 /nfs/dbraw/zinc/61/70/21/822617021.db2.gz LMEPKZPGQWOKMG-HSZRJFAPSA-N 2 1 385.552 4.499 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180113039 822617897 /nfs/dbraw/zinc/61/78/97/822617897.db2.gz NKLLZGBQNUGITN-UHFFFAOYSA-N 2 1 389.584 4.452 20 0 GIADMP CN(c1ccccc1C[N@@H+](CCC(F)(F)F)CC1CC1)C1CC[NH+](C)CC1 ZINC000180537509 822698214 /nfs/dbraw/zinc/69/82/14/822698214.db2.gz QSGOVACTLYRZFN-UHFFFAOYSA-N 2 1 383.502 4.381 20 0 GIADMP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575825 822705130 /nfs/dbraw/zinc/70/51/30/822705130.db2.gz HCTQHHHXWBCKCM-PXDATVDWSA-N 2 1 378.560 4.483 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000174451919 822791576 /nfs/dbraw/zinc/79/15/76/822791576.db2.gz GWZZOAQMAMMZAH-UHFFFAOYSA-N 2 1 386.499 4.387 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675567 822809007 /nfs/dbraw/zinc/80/90/07/822809007.db2.gz QJBMFTWZAKTGJO-UXHICEINSA-N 2 1 395.547 4.055 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675567 822809010 /nfs/dbraw/zinc/80/90/10/822809010.db2.gz QJBMFTWZAKTGJO-UXHICEINSA-N 2 1 395.547 4.055 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683142 822809804 /nfs/dbraw/zinc/80/98/04/822809804.db2.gz ABOOBTFWYLWHLB-WMZOPIPTSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707014 822812383 /nfs/dbraw/zinc/81/23/83/822812383.db2.gz JKHXHFWGBKRZJN-ILXRZTDVSA-N 2 1 381.923 4.049 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707014 822812386 /nfs/dbraw/zinc/81/23/86/822812386.db2.gz JKHXHFWGBKRZJN-ILXRZTDVSA-N 2 1 381.923 4.049 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722632 822814394 /nfs/dbraw/zinc/81/43/94/822814394.db2.gz QXZDEHOIYQIBEP-OWCLPIDISA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722632 822814396 /nfs/dbraw/zinc/81/43/96/822814396.db2.gz QXZDEHOIYQIBEP-OWCLPIDISA-N 2 1 397.485 4.275 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728435 822815210 /nfs/dbraw/zinc/81/52/10/822815210.db2.gz WGVVLCQBGWVMLZ-APWZRJJASA-N 2 1 380.532 4.024 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728435 822815213 /nfs/dbraw/zinc/81/52/13/822815213.db2.gz WGVVLCQBGWVMLZ-APWZRJJASA-N 2 1 380.532 4.024 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736681 822816162 /nfs/dbraw/zinc/81/61/62/822816162.db2.gz JRBUJSPEGGUIOC-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185736681 822816165 /nfs/dbraw/zinc/81/61/65/822816165.db2.gz JRBUJSPEGGUIOC-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739702 822816607 /nfs/dbraw/zinc/81/66/07/822816607.db2.gz BXIYCHGAOLLKOI-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739702 822816609 /nfs/dbraw/zinc/81/66/09/822816609.db2.gz BXIYCHGAOLLKOI-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765004 822818949 /nfs/dbraw/zinc/81/89/49/822818949.db2.gz JOQZFKDPGNJLRH-GJZGRUSLSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765004 822818953 /nfs/dbraw/zinc/81/89/53/822818953.db2.gz JOQZFKDPGNJLRH-GJZGRUSLSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393414 822887018 /nfs/dbraw/zinc/88/70/18/822887018.db2.gz VIQDSFCZZKJYBP-PGRDOPGGSA-N 2 1 380.532 4.474 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010823 822997289 /nfs/dbraw/zinc/99/72/89/822997289.db2.gz BIIRSYCOLHSIQR-UZLBHIALSA-N 2 1 375.944 4.115 20 0 GIADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248280 823560309 /nfs/dbraw/zinc/56/03/09/823560309.db2.gz ATHWVXUHVXUKAX-DHIUTWEWSA-N 2 1 383.967 4.141 20 0 GIADMP Cc1ccc2ncc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)cc2c1 ZINC000411313779 823563988 /nfs/dbraw/zinc/56/39/88/823563988.db2.gz YFNBVDZDTNGKNV-UHFFFAOYSA-N 2 1 394.607 4.171 20 0 GIADMP Cc1ccc2ncc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000411313779 823563990 /nfs/dbraw/zinc/56/39/90/823563990.db2.gz YFNBVDZDTNGKNV-UHFFFAOYSA-N 3 1 394.607 4.171 20 0 GIADMP Cc1ccc2ncc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000411313779 823563991 /nfs/dbraw/zinc/56/39/91/823563991.db2.gz YFNBVDZDTNGKNV-UHFFFAOYSA-N 3 1 394.607 4.171 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000461107078 823578790 /nfs/dbraw/zinc/57/87/90/823578790.db2.gz IQTTVMMYPKNZPR-RYXOHYEVSA-N 2 1 386.580 4.245 20 0 GIADMP C[C@@H](CC[NH+]1CCC2(CCOCC2)[C@@H]1C)CC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000411523138 823584549 /nfs/dbraw/zinc/58/45/49/823584549.db2.gz GRNFTMBWNHVENH-DKUWSORSSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@H](CC[NH+]1CCC2(CCOCC2)[C@H]1C)CC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000411523138 823584551 /nfs/dbraw/zinc/58/45/51/823584551.db2.gz GRNFTMBWNHVENH-DKUWSORSSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@H](CC[NH+]1CCC2(CCOCC2)[C@H]1C)CC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000411523138 823584553 /nfs/dbraw/zinc/58/45/53/823584553.db2.gz GRNFTMBWNHVENH-DKUWSORSSA-N 2 1 392.628 4.185 20 0 GIADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124500213 823601877 /nfs/dbraw/zinc/60/18/77/823601877.db2.gz JSQKJGVGIMBMGO-UHFFFAOYSA-N 2 1 390.163 4.174 20 0 GIADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574305 823607650 /nfs/dbraw/zinc/60/76/50/823607650.db2.gz CPFHOTLFPLUEKF-IXDOHACOSA-N 2 1 387.593 4.474 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000124621709 823612008 /nfs/dbraw/zinc/61/20/08/823612008.db2.gz WNBCIVPHVBOZCM-OYRHEFFESA-N 2 1 393.575 4.054 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000124639871 823613327 /nfs/dbraw/zinc/61/33/27/823613327.db2.gz GGFLXUCEOPKZAZ-OTWHNJEPSA-N 2 1 398.547 4.164 20 0 GIADMP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000190994572 823636165 /nfs/dbraw/zinc/63/61/65/823636165.db2.gz WJCOAAVXYSZSJF-NOTZXAQLSA-N 2 1 378.564 4.211 20 0 GIADMP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000190994572 823636166 /nfs/dbraw/zinc/63/61/66/823636166.db2.gz WJCOAAVXYSZSJF-NOTZXAQLSA-N 2 1 378.564 4.211 20 0 GIADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC000412245924 823639357 /nfs/dbraw/zinc/63/93/57/823639357.db2.gz OBALPOJKGJTARQ-UHFFFAOYSA-N 2 1 398.576 4.148 20 0 GIADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC000412245924 823639359 /nfs/dbraw/zinc/63/93/59/823639359.db2.gz OBALPOJKGJTARQ-UHFFFAOYSA-N 2 1 398.576 4.148 20 0 GIADMP FC(F)(F)c1ccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000125294760 823665737 /nfs/dbraw/zinc/66/57/37/823665737.db2.gz UIGSIBKCKZDRGO-AWEZNQCLSA-N 2 1 379.426 4.166 20 0 GIADMP Brc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)c1 ZINC000191490202 823690552 /nfs/dbraw/zinc/69/05/52/823690552.db2.gz HRJXBJSSGKVAOW-FQEVSTJZSA-N 2 1 393.369 4.133 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CCS2 ZINC000191501356 823692149 /nfs/dbraw/zinc/69/21/49/823692149.db2.gz GKLNJYQJQFLUSZ-HTAPYJJXSA-N 2 1 398.572 4.243 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CCS2 ZINC000191501356 823692152 /nfs/dbraw/zinc/69/21/52/823692152.db2.gz GKLNJYQJQFLUSZ-HTAPYJJXSA-N 2 1 398.572 4.243 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508332 823693223 /nfs/dbraw/zinc/69/32/23/823693223.db2.gz JVFBCPQPRKUOGD-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508332 823693224 /nfs/dbraw/zinc/69/32/24/823693224.db2.gz JVFBCPQPRKUOGD-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000125653192 823693684 /nfs/dbraw/zinc/69/36/84/823693684.db2.gz CUFPIXVCUXGMHV-OALUTQOASA-N 2 1 392.609 4.176 20 0 GIADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125653504 823693739 /nfs/dbraw/zinc/69/37/39/823693739.db2.gz CUFPIXVCUXGMHV-RBUKOAKNSA-N 2 1 392.609 4.176 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519570 823694771 /nfs/dbraw/zinc/69/47/71/823694771.db2.gz LWCAPVXFMZLHSG-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519570 823694772 /nfs/dbraw/zinc/69/47/72/823694772.db2.gz LWCAPVXFMZLHSG-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461790975 823695873 /nfs/dbraw/zinc/69/58/73/823695873.db2.gz LDWLWRVSSVSJGC-KRWDZBQOSA-N 2 1 383.511 4.142 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000163686661 823736615 /nfs/dbraw/zinc/73/66/15/823736615.db2.gz NFYCOILDUSPOJS-IBGZPJMESA-N 2 1 398.547 4.342 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125897168 823739819 /nfs/dbraw/zinc/73/98/19/823739819.db2.gz YZUSEWJKRRXFIO-BBWFWOEESA-N 2 1 399.501 4.380 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517677 823753986 /nfs/dbraw/zinc/75/39/86/823753986.db2.gz HQIAWIIEPUPDOD-DEOSSOPVSA-N 2 1 394.559 4.136 20 0 GIADMP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163956429 823765479 /nfs/dbraw/zinc/76/54/79/823765479.db2.gz DAEUWCREBGPWLL-IBGZPJMESA-N 2 1 398.547 4.036 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C/c3ccccc3)CC2)c1C ZINC000574558531 823765668 /nfs/dbraw/zinc/76/56/68/823765668.db2.gz LBLLDVAJBRXTQN-DHZHZOJOSA-N 2 1 379.548 4.317 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C/c3ccccc3)CC2)c1C ZINC000574558531 823765676 /nfs/dbraw/zinc/76/56/76/823765676.db2.gz LBLLDVAJBRXTQN-DHZHZOJOSA-N 2 1 379.548 4.317 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000164683630 823816169 /nfs/dbraw/zinc/81/61/69/823816169.db2.gz PQNIERWUGIFNSG-KRWDZBQOSA-N 2 1 378.314 4.238 20 0 GIADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c2ccccc12 ZINC000165447801 823849315 /nfs/dbraw/zinc/84/93/15/823849315.db2.gz SUQRBIFHVHHDLO-IBGZPJMESA-N 2 1 390.527 4.359 20 0 GIADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c2ccccc12 ZINC000165447801 823849326 /nfs/dbraw/zinc/84/93/26/823849326.db2.gz SUQRBIFHVHHDLO-IBGZPJMESA-N 2 1 390.527 4.359 20 0 GIADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901114 823898268 /nfs/dbraw/zinc/89/82/68/823898268.db2.gz INUKPIAQBCHXIR-QRWLVFNGSA-N 2 1 384.395 4.278 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839168 823963517 /nfs/dbraw/zinc/96/35/17/823963517.db2.gz XUFANAKTFSQJOK-RBUKOAKNSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839168 823963524 /nfs/dbraw/zinc/96/35/24/823963524.db2.gz XUFANAKTFSQJOK-RBUKOAKNSA-N 2 1 397.588 4.438 20 0 GIADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414850389 824041691 /nfs/dbraw/zinc/04/16/91/824041691.db2.gz SBGFAZOLCJZHKX-DEOSSOPVSA-N 2 1 394.607 4.130 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164838601 720574048 /nfs/dbraw/zinc/57/40/48/720574048.db2.gz OSAYRQLUZPEILX-MQSCRBSSSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164838601 720574052 /nfs/dbraw/zinc/57/40/52/720574052.db2.gz OSAYRQLUZPEILX-MQSCRBSSSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908906 721709940 /nfs/dbraw/zinc/70/99/40/721709940.db2.gz ZKXGPYDASDPYLX-NRFANRHFSA-N 2 1 397.473 4.004 20 0 GIADMP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000570631129 823064404 /nfs/dbraw/zinc/06/44/04/823064404.db2.gz WIWIUAZJITYCGP-GOSISDBHSA-N 2 1 397.538 4.484 20 0 GIADMP C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120822791 823071423 /nfs/dbraw/zinc/07/14/23/823071423.db2.gz VAOOFNWLFCWUSB-RDPSFJRHSA-N 2 1 381.564 4.115 20 0 GIADMP COc1ccc2oc([C@H](C)[NH2+]Cc3ccncc3OCCC[NH+](C)C)c(C)c2c1 ZINC000570719827 823075772 /nfs/dbraw/zinc/07/57/72/823075772.db2.gz SSDVVSCACSLULU-KRWDZBQOSA-N 2 1 397.519 4.326 20 0 GIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154636 823090881 /nfs/dbraw/zinc/09/08/81/823090881.db2.gz JQSMXWCXKPVEFV-DVECYGJZSA-N 2 1 391.559 4.171 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154636 823090887 /nfs/dbraw/zinc/09/08/87/823090887.db2.gz JQSMXWCXKPVEFV-DVECYGJZSA-N 2 1 391.559 4.171 20 0 GIADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000570818504 823091340 /nfs/dbraw/zinc/09/13/40/823091340.db2.gz CEBGDPWAQSEBEX-BJKOFHAPSA-N 2 1 392.543 4.422 20 0 GIADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156227 823091603 /nfs/dbraw/zinc/09/16/03/823091603.db2.gz CBNKMAWIRDEROR-PMACEKPBSA-N 2 1 379.548 4.486 20 0 GIADMP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187837240 823143306 /nfs/dbraw/zinc/14/33/06/823143306.db2.gz ZHQVTIGYGKRYAA-QFIPXVFZSA-N 2 1 378.495 4.140 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459371521 823175136 /nfs/dbraw/zinc/17/51/36/823175136.db2.gz IGJOXDAILIAYDQ-HXUWFJFHSA-N 3 1 378.564 4.072 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459378977 823177680 /nfs/dbraw/zinc/17/76/80/823177680.db2.gz SANACBSPGMPRLJ-HXUWFJFHSA-N 3 1 378.564 4.072 20 0 GIADMP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382829 823178890 /nfs/dbraw/zinc/17/88/90/823178890.db2.gz WJLDROBIJULISV-FQEVSTJZSA-N 2 1 393.579 4.368 20 0 GIADMP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382829 823178892 /nfs/dbraw/zinc/17/88/92/823178892.db2.gz WJLDROBIJULISV-FQEVSTJZSA-N 2 1 393.579 4.368 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459405278 823185413 /nfs/dbraw/zinc/18/54/13/823185413.db2.gz FEEUIMPAMMFZML-NHCUHLMSSA-N 2 1 393.575 4.227 20 0 GIADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)ccc1O ZINC000459431542 823190781 /nfs/dbraw/zinc/19/07/81/823190781.db2.gz LULPGLZOPYOQRP-UHFFFAOYSA-N 2 1 380.488 4.306 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000459449613 823194624 /nfs/dbraw/zinc/19/46/24/823194624.db2.gz SYPMSPIREQUVPY-DNQXCXABSA-N 2 1 394.559 4.138 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121584003 823211129 /nfs/dbraw/zinc/21/11/29/823211129.db2.gz GPNTWJWHUDDINF-RBUKOAKNSA-N 2 1 397.567 4.196 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121584003 823211130 /nfs/dbraw/zinc/21/11/30/823211130.db2.gz GPNTWJWHUDDINF-RBUKOAKNSA-N 2 1 397.567 4.196 20 0 GIADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000188278790 823213262 /nfs/dbraw/zinc/21/32/62/823213262.db2.gz QUVHVSDNIBMXPO-QGZVFWFLSA-N 2 1 395.385 4.005 20 0 GIADMP COc1cc(OC)cc(Oc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000459536065 823214417 /nfs/dbraw/zinc/21/44/17/823214417.db2.gz APSUUDGWAHKOMO-UHFFFAOYSA-N 2 1 382.504 4.213 20 0 GIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000121650185 823222449 /nfs/dbraw/zinc/22/24/49/823222449.db2.gz NWCBEVYSBQCEJN-QGZVFWFLSA-N 2 1 383.511 4.142 20 0 GIADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121790004 823252086 /nfs/dbraw/zinc/25/20/86/823252086.db2.gz YTVHTIKJJIXULY-XMMPIXPASA-N 2 1 392.543 4.011 20 0 GIADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000409634659 823268210 /nfs/dbraw/zinc/26/82/10/823268210.db2.gz DMOUVJBYBGJHJS-JOCHJYFZSA-N 2 1 399.966 4.245 20 0 GIADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126456 823287137 /nfs/dbraw/zinc/28/71/37/823287137.db2.gz FVGGKAVCMDCHAK-DENIHFKCSA-N 2 1 399.604 4.030 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132877 823288123 /nfs/dbraw/zinc/28/81/23/823288123.db2.gz QEPRDDVSIVUXPB-PKTZIBPZSA-N 2 1 397.607 4.025 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000122133010 823311071 /nfs/dbraw/zinc/31/10/71/823311071.db2.gz YPQSKCFCSJLCIU-UHFFFAOYSA-N 2 1 385.552 4.220 20 0 GIADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889330 823345262 /nfs/dbraw/zinc/34/52/62/823345262.db2.gz QDWYZIAWMVDCCR-SFHVURJKSA-N 2 1 375.532 4.049 20 0 GIADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020936641 818641695 /nfs/dbraw/zinc/64/16/95/818641695.db2.gz JPZOFTDLORHYGG-IBGZPJMESA-N 2 1 383.561 4.135 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189090368 823355861 /nfs/dbraw/zinc/35/58/61/823355861.db2.gz XXXKLWBIGABZTN-UHFFFAOYSA-N 2 1 380.511 4.201 20 0 GIADMP COc1cccc(C[N@H+](C)CCCc2c[nH+]cn2C)c1OCc1ccccc1F ZINC000572659266 823377668 /nfs/dbraw/zinc/37/76/68/823377668.db2.gz AHZQROCEAOYFKR-UHFFFAOYSA-N 2 1 397.494 4.211 20 0 GIADMP COc1cccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1OCc1ccccc1F ZINC000572659266 823377675 /nfs/dbraw/zinc/37/76/75/823377675.db2.gz AHZQROCEAOYFKR-UHFFFAOYSA-N 2 1 397.494 4.211 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000122723039 823400583 /nfs/dbraw/zinc/40/05/83/823400583.db2.gz LGFKJRXODYWIMC-HOTGVXAUSA-N 2 1 385.474 4.277 20 0 GIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767415 823408686 /nfs/dbraw/zinc/40/86/86/823408686.db2.gz UVUSEBUWEXPCQT-QGZVFWFLSA-N 2 1 377.532 4.015 20 0 GIADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767415 823408689 /nfs/dbraw/zinc/40/86/89/823408689.db2.gz UVUSEBUWEXPCQT-QGZVFWFLSA-N 2 1 377.532 4.015 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177261071 823412709 /nfs/dbraw/zinc/41/27/09/823412709.db2.gz AOXOEICKJKBXHA-UHFFFAOYSA-N 2 1 375.557 4.016 20 0 GIADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000026304135 820080425 /nfs/dbraw/zinc/08/04/25/820080425.db2.gz FGKUPISDSFYTKN-UHFFFAOYSA-N 2 1 376.548 4.276 20 0 GIADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000026310604 820080830 /nfs/dbraw/zinc/08/08/30/820080830.db2.gz AHJGCYRXMFFCBT-FQEVSTJZSA-N 2 1 399.535 4.226 20 0 GIADMP Cc1cccc2oc(CC[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)nc21 ZINC000410359782 823473741 /nfs/dbraw/zinc/47/37/41/823473741.db2.gz OQMHWJHMKDUQPT-UHFFFAOYSA-N 2 1 381.495 4.115 20 0 GIADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177503525 823478268 /nfs/dbraw/zinc/47/82/68/823478268.db2.gz MWLPDTCYSYPDID-KURKYZTESA-N 2 1 377.573 4.244 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C[C@@H](C)O1 ZINC000177512335 823479906 /nfs/dbraw/zinc/47/99/06/823479906.db2.gz TZBCJDBBXMIKPM-RTBURBONSA-N 2 1 383.536 4.053 20 0 GIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000030907096 820705875 /nfs/dbraw/zinc/70/58/75/820705875.db2.gz CJZRJZKYMVJNPC-SFHVURJKSA-N 2 1 376.504 4.015 20 0 GIADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000123629223 823527500 /nfs/dbraw/zinc/52/75/00/823527500.db2.gz YPHROGCIXANHDF-QGZVFWFLSA-N 2 1 379.976 4.338 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000123741917 823536522 /nfs/dbraw/zinc/53/65/22/823536522.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000123741917 823536525 /nfs/dbraw/zinc/53/65/25/823536525.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741917 823536528 /nfs/dbraw/zinc/53/65/28/823536528.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741917 823536532 /nfs/dbraw/zinc/53/65/32/823536532.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641732 821379544 /nfs/dbraw/zinc/37/95/44/821379544.db2.gz LIBMNVBYBBJWOO-BEFAXECRSA-N 2 1 394.437 4.003 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000180861325 821499383 /nfs/dbraw/zinc/49/93/83/821499383.db2.gz WQMRTZYTBAAJAE-OAHLLOKOSA-N 2 1 377.467 4.100 20 0 GIADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000181409621 821810620 /nfs/dbraw/zinc/81/06/20/821810620.db2.gz IEEIZKPNJVHMAA-SNRMKQJTSA-N 2 1 382.495 4.015 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)CC2)oc1C ZINC000182077476 822083902 /nfs/dbraw/zinc/08/39/02/822083902.db2.gz PFRZQIQRECUXAM-HXUWFJFHSA-N 2 1 387.499 4.146 20 0 GIADMP Cc1cc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260791 822174557 /nfs/dbraw/zinc/17/45/57/822174557.db2.gz SDCXJIGWOQACSI-AVRDEDQJSA-N 2 1 378.516 4.467 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261591 822175165 /nfs/dbraw/zinc/17/51/65/822175165.db2.gz QAERRZZPCWGCDD-XUZZJYLKSA-N 2 1 382.523 4.413 20 0 GIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267946 822179062 /nfs/dbraw/zinc/17/90/62/822179062.db2.gz ORJDKRTZRTYEAT-AZUAARDMSA-N 2 1 390.474 4.096 20 0 GIADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177980054 822268120 /nfs/dbraw/zinc/26/81/20/822268120.db2.gz MEZNMWHJZGESPH-GOSISDBHSA-N 2 1 383.536 4.042 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3sc(C)nc3C)CC2)cs1 ZINC000178092514 822315714 /nfs/dbraw/zinc/31/57/14/822315714.db2.gz TXAZAKMBLLYIKL-ZDUSSCGKSA-N 2 1 378.611 4.342 20 0 GIADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243087 822357912 /nfs/dbraw/zinc/35/79/12/822357912.db2.gz GMAKQVXHNWCQCF-IBGZPJMESA-N 2 1 383.502 4.132 20 0 GIADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243087 822357915 /nfs/dbraw/zinc/35/79/15/822357915.db2.gz GMAKQVXHNWCQCF-IBGZPJMESA-N 2 1 383.502 4.132 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)ccc1OC ZINC000182930547 822395077 /nfs/dbraw/zinc/39/50/77/822395077.db2.gz LGAOWEUEMLHIRC-SFHVURJKSA-N 2 1 380.536 4.344 20 0 GIADMP Cc1ccc(NC2CC[NH+](C(C)(C)C)CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182968224 822401556 /nfs/dbraw/zinc/40/15/56/822401556.db2.gz NPRVBGAJHFKWCF-UHFFFAOYSA-N 2 1 386.584 4.094 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151106 822431956 /nfs/dbraw/zinc/43/19/56/822431956.db2.gz PTJUADOHUVJSKY-HOTGVXAUSA-N 2 1 380.467 4.306 20 0 GIADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156890 822432742 /nfs/dbraw/zinc/43/27/42/822432742.db2.gz LQZNKXJMEPLULT-IAGOWNOFSA-N 2 1 392.503 4.257 20 0 GIADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183368834 822464570 /nfs/dbraw/zinc/46/45/70/822464570.db2.gz SWYGXKIECXFCDD-QHCPKHFHSA-N 2 1 379.479 4.040 20 0 GIADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394648 822476558 /nfs/dbraw/zinc/47/65/58/822476558.db2.gz SEGBJJRLSIPURL-INIZCTEOSA-N 2 1 397.548 4.493 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000183674367 822509448 /nfs/dbraw/zinc/50/94/48/822509448.db2.gz YIXABKJHKBSKEN-HRAATJIYSA-N 2 1 399.922 4.062 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000183674327 822509462 /nfs/dbraw/zinc/50/94/62/822509462.db2.gz YIXABKJHKBSKEN-KKSFZXQISA-N 2 1 399.922 4.062 20 0 GIADMP COc1ccc2c(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc(=O)oc2c1 ZINC000183676074 822509586 /nfs/dbraw/zinc/50/95/86/822509586.db2.gz HYXYWGFMERODSR-HNNXBMFYSA-N 2 1 389.455 4.147 20 0 GIADMP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183689630 822511762 /nfs/dbraw/zinc/51/17/62/822511762.db2.gz GGJFNYRNSHKPPP-JKSUJKDBSA-N 2 1 390.487 4.061 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1)C1CCOCC1 ZINC000180088596 822612861 /nfs/dbraw/zinc/61/28/61/822612861.db2.gz SQBNBFFCRCJYIJ-VWLOTQADSA-N 2 1 394.559 4.417 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)cs1 ZINC000180108430 822616796 /nfs/dbraw/zinc/61/67/96/822616796.db2.gz OXLUVBVSCGFRCI-INIZCTEOSA-N 2 1 397.592 4.155 20 0 GIADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139631 822624542 /nfs/dbraw/zinc/62/45/42/822624542.db2.gz CMWVTLRGSQLJNK-OARUMGJZSA-N 2 1 378.520 4.023 20 0 GIADMP Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC000180149067 822626934 /nfs/dbraw/zinc/62/69/34/822626934.db2.gz ILUVKEYEXCTUPH-CWAQXLGLSA-N 2 1 390.575 4.144 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180157693 822629188 /nfs/dbraw/zinc/62/91/88/822629188.db2.gz AVSUPZGZCUGICM-QHCPKHFHSA-N 2 1 380.511 4.280 20 0 GIADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402086 822676033 /nfs/dbraw/zinc/67/60/33/822676033.db2.gz CDIVQVCGNQKUAS-XLIONFOSSA-N 2 1 378.532 4.297 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464345 822686862 /nfs/dbraw/zinc/68/68/62/822686862.db2.gz NSZUDDLNJLVYQC-AEFFLSMTSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464345 822686864 /nfs/dbraw/zinc/68/68/64/822686864.db2.gz NSZUDDLNJLVYQC-AEFFLSMTSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455891568 822743402 /nfs/dbraw/zinc/74/34/02/822743402.db2.gz BUZPQGDGLCSLRX-DNVFCKCGSA-N 2 1 398.595 4.354 20 0 GIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455905323 822746066 /nfs/dbraw/zinc/74/60/66/822746066.db2.gz HFJDOSZIQNYJMA-SVMVAKDDSA-N 2 1 386.584 4.115 20 0 GIADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc21 ZINC000455918342 822749193 /nfs/dbraw/zinc/74/91/93/822749193.db2.gz LBUITSYMHYAXEH-HSZRJFAPSA-N 2 1 398.595 4.355 20 0 GIADMP Clc1ccc(-c2noc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000174373323 822780115 /nfs/dbraw/zinc/78/01/15/822780115.db2.gz SVNLHNRECAQATM-UHFFFAOYSA-N 2 1 396.922 4.187 20 0 GIADMP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000174450048 822791242 /nfs/dbraw/zinc/79/12/42/822791242.db2.gz XFMXNRDWGLJTSU-UHFFFAOYSA-N 2 1 377.488 4.160 20 0 GIADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000174526060 822801028 /nfs/dbraw/zinc/80/10/28/822801028.db2.gz FJRYUAAHLVDCOK-GHTZIAJQSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526060 822801030 /nfs/dbraw/zinc/80/10/30/822801030.db2.gz FJRYUAAHLVDCOK-GHTZIAJQSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526060 822801033 /nfs/dbraw/zinc/80/10/33/822801033.db2.gz FJRYUAAHLVDCOK-GHTZIAJQSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000174526074 822801077 /nfs/dbraw/zinc/80/10/77/822801077.db2.gz FJRYUAAHLVDCOK-NQIIRXRSSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526074 822801080 /nfs/dbraw/zinc/80/10/80/822801080.db2.gz FJRYUAAHLVDCOK-NQIIRXRSSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000174526074 822801083 /nfs/dbraw/zinc/80/10/83/822801083.db2.gz FJRYUAAHLVDCOK-NQIIRXRSSA-N 2 1 386.584 4.398 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678500 822809415 /nfs/dbraw/zinc/80/94/15/822809415.db2.gz OMLJSIFXKBKYCJ-BJLQDIEVSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678500 822809419 /nfs/dbraw/zinc/80/94/19/822809419.db2.gz OMLJSIFXKBKYCJ-BJLQDIEVSA-N 2 1 379.548 4.409 20 0 GIADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748326 822817306 /nfs/dbraw/zinc/81/73/06/822817306.db2.gz SZPRKQKRLXHXIS-JAXLGGSGSA-N 2 1 385.596 4.055 20 0 GIADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748326 822817310 /nfs/dbraw/zinc/81/73/10/822817310.db2.gz SZPRKQKRLXHXIS-JAXLGGSGSA-N 2 1 385.596 4.055 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751898 822817588 /nfs/dbraw/zinc/81/75/88/822817588.db2.gz UGFOIUUYCMUXQO-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751898 822817590 /nfs/dbraw/zinc/81/75/90/822817590.db2.gz UGFOIUUYCMUXQO-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000174892149 822851573 /nfs/dbraw/zinc/85/15/73/822851573.db2.gz QOHVPQAFWCXFDD-SVFBPWRDSA-N 2 1 388.600 4.020 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017290 822869989 /nfs/dbraw/zinc/86/99/89/822869989.db2.gz NCALHYGCWRYFGR-QGZVFWFLSA-N 2 1 399.604 4.275 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590631 822918950 /nfs/dbraw/zinc/91/89/50/822918950.db2.gz KGWSZDKHVDHTLL-INIZCTEOSA-N 2 1 388.353 4.366 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000570066586 823002398 /nfs/dbraw/zinc/00/23/98/823002398.db2.gz AIYAVDLKRGGHIK-UHOSZYNNSA-N 2 1 394.401 4.107 20 0 GIADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000570066586 823002402 /nfs/dbraw/zinc/00/24/02/823002402.db2.gz AIYAVDLKRGGHIK-UHOSZYNNSA-N 2 1 394.401 4.107 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC000187206905 823024703 /nfs/dbraw/zinc/02/47/03/823024703.db2.gz MMSCLUKJSQAFEM-UHFFFAOYSA-N 2 1 375.516 4.499 20 0 GIADMP Clc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC000570351614 823028007 /nfs/dbraw/zinc/02/80/07/823028007.db2.gz SHCKCFHSSMQYLK-UHFFFAOYSA-N 2 1 394.950 4.476 20 0 GIADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1 ZINC000124005991 823559307 /nfs/dbraw/zinc/55/93/07/823559307.db2.gz YDXCZYUACZYUAG-ROUUACIJSA-N 2 1 394.515 4.340 20 0 GIADMP C[N@H+](Cc1ccc(-c2ncco2)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411427539 823573007 /nfs/dbraw/zinc/57/30/07/823573007.db2.gz PAGYZFHPQRAZJZ-UHFFFAOYSA-N 2 1 380.467 4.224 20 0 GIADMP CCc1oc2ccccc2c1C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000061070239 823576774 /nfs/dbraw/zinc/57/67/74/823576774.db2.gz DEFIMTVOEKBDBM-UHFFFAOYSA-N 2 1 391.559 4.423 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512318 823582854 /nfs/dbraw/zinc/58/28/54/823582854.db2.gz APIIFRVKQLFXCE-LSDHHAIUSA-N 2 1 381.923 4.050 20 0 GIADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124379287 823591668 /nfs/dbraw/zinc/59/16/68/823591668.db2.gz OJPPKUHDZKYIMC-FQEVSTJZSA-N 2 1 395.591 4.286 20 0 GIADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000190810672 823611975 /nfs/dbraw/zinc/61/19/75/823611975.db2.gz APTRAZOYULFCIF-UHFFFAOYSA-N 2 1 378.438 4.136 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000191146654 823653698 /nfs/dbraw/zinc/65/36/98/823653698.db2.gz YQGMAKHIVURQPN-CEXWTWQISA-N 2 1 384.568 4.232 20 0 GIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000191456049 823687265 /nfs/dbraw/zinc/68/72/65/823687265.db2.gz SSKBJTYEVNBKAE-FQEVSTJZSA-N 2 1 394.401 4.002 20 0 GIADMP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000191462088 823687716 /nfs/dbraw/zinc/68/77/16/823687716.db2.gz ODZGVDWVIMBGFN-VWLOTQADSA-N 2 1 377.576 4.050 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471132 823688747 /nfs/dbraw/zinc/68/87/47/823688747.db2.gz VJDMSXVFPJILDE-DLBZAZTESA-N 2 1 390.959 4.077 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471132 823688749 /nfs/dbraw/zinc/68/87/49/823688749.db2.gz VJDMSXVFPJILDE-DLBZAZTESA-N 2 1 390.959 4.077 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472821 823688793 /nfs/dbraw/zinc/68/87/93/823688793.db2.gz FSWRMHADZQMWOQ-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472821 823688794 /nfs/dbraw/zinc/68/87/94/823688794.db2.gz FSWRMHADZQMWOQ-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491713 823690722 /nfs/dbraw/zinc/69/07/22/823690722.db2.gz CMIBQKYSZLKMTO-OAHLLOKOSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491713 823690723 /nfs/dbraw/zinc/69/07/23/823690723.db2.gz CMIBQKYSZLKMTO-OAHLLOKOSA-N 2 1 396.457 4.204 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@H]3CCc4cc(Br)ccc43)CC2)[nH+]c1 ZINC000163459431 823711781 /nfs/dbraw/zinc/71/17/81/823711781.db2.gz CQHJJIAAZNJKFB-IBGZPJMESA-N 2 1 386.337 4.398 20 0 GIADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000461867351 823728608 /nfs/dbraw/zinc/72/86/08/823728608.db2.gz QIMKUSQAGWYOPZ-SFHVURJKSA-N 2 1 377.598 4.075 20 0 GIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163972410 823767508 /nfs/dbraw/zinc/76/75/08/823767508.db2.gz IJXJLDAPNUTAQW-HXUWFJFHSA-N 2 1 382.548 4.335 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581139 823771501 /nfs/dbraw/zinc/77/15/01/823771501.db2.gz BBWFHTZTSIXALF-SFHVURJKSA-N 2 1 397.563 4.149 20 0 GIADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963808 823827342 /nfs/dbraw/zinc/82/73/42/823827342.db2.gz HMHQZGCAAHZEQE-XUZZJYLKSA-N 2 1 397.632 4.428 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307842 823843203 /nfs/dbraw/zinc/84/32/03/823843203.db2.gz RUHKPYIXYSRTEF-PZJWPPBQSA-N 2 1 380.532 4.063 20 0 GIADMP COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000167640226 823894053 /nfs/dbraw/zinc/89/40/53/823894053.db2.gz LGAKUZNSCVZXHI-GOSISDBHSA-N 2 1 379.504 4.365 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901808 823898334 /nfs/dbraw/zinc/89/83/34/823898334.db2.gz FXVFFSKSURWXPG-SXGZJXTBSA-N 2 1 384.395 4.276 20 0 GIADMP CC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000575066622 823903349 /nfs/dbraw/zinc/90/33/49/823903349.db2.gz ZZXMUHDFBBAMJS-JOCHJYFZSA-N 2 1 397.588 4.085 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C(C)C ZINC000126602000 823908983 /nfs/dbraw/zinc/90/89/83/823908983.db2.gz UHAXZFHRWGNSJW-GGAORHGYSA-N 2 1 383.580 4.006 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(C)C ZINC000126602000 823908993 /nfs/dbraw/zinc/90/89/93/823908993.db2.gz UHAXZFHRWGNSJW-GGAORHGYSA-N 2 1 383.580 4.006 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(C)C ZINC000126602000 823909002 /nfs/dbraw/zinc/90/90/02/823909002.db2.gz UHAXZFHRWGNSJW-GGAORHGYSA-N 2 1 383.580 4.006 20 0 GIADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000414108304 823911881 /nfs/dbraw/zinc/91/18/81/823911881.db2.gz GFDAXRFAWKCVKG-SFHVURJKSA-N 2 1 379.504 4.036 20 0 GIADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199015 823927197 /nfs/dbraw/zinc/92/71/97/823927197.db2.gz XCAYNXWRKGEHOX-VQTJNVASSA-N 2 1 392.547 4.296 20 0 GIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1SC ZINC000126723308 823936044 /nfs/dbraw/zinc/93/60/44/823936044.db2.gz OYXKGIAHISRGJJ-GOSISDBHSA-N 2 1 399.604 4.015 20 0 GIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000414293129 823953155 /nfs/dbraw/zinc/95/31/55/823953155.db2.gz VKHJPYMZHAVPSH-UHFFFAOYSA-N 2 1 380.511 4.450 20 0 GIADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(Cl)cccc2SC(C)C)CC1 ZINC000192472554 824004573 /nfs/dbraw/zinc/00/45/73/824004573.db2.gz UMQSIPJYYGZRSA-UHFFFAOYSA-N 2 1 384.033 4.348 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714577 824025715 /nfs/dbraw/zinc/02/57/15/824025715.db2.gz QJDMPLYMSGQOIG-WOJBJXKFSA-N 2 1 398.595 4.305 20 0 GIADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854238 824042691 /nfs/dbraw/zinc/04/26/91/824042691.db2.gz USPHTXAZSIQYJN-WCQYABFASA-N 2 1 379.854 4.039 20 0 GIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942423 824052808 /nfs/dbraw/zinc/05/28/08/824052808.db2.gz DKBZPDKBMUCDPX-CZUORRHYSA-N 2 1 392.330 4.476 20 0 GIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@@H]21 ZINC001165026469 721809265 /nfs/dbraw/zinc/80/92/65/721809265.db2.gz QSGYZFKGTJPADI-IEIRFRATSA-N 2 1 376.548 4.092 20 0 GIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@@H]21 ZINC001165026469 721809267 /nfs/dbraw/zinc/80/92/67/721809267.db2.gz QSGYZFKGTJPADI-IEIRFRATSA-N 2 1 376.548 4.092 20 0 GIADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165050037 721971932 /nfs/dbraw/zinc/97/19/32/721971932.db2.gz YKYHNWUXBPXVQV-NRFANRHFSA-N 2 1 389.547 4.324 20 0 GIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792338 823065008 /nfs/dbraw/zinc/06/50/08/823065008.db2.gz KIYWUWMQXMEPCK-IBGZPJMESA-N 2 1 380.561 4.091 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734152 823078232 /nfs/dbraw/zinc/07/82/32/823078232.db2.gz PNBZDNXWVUUYFL-HKUYNNGSSA-N 2 1 378.442 4.175 20 0 GIADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734152 823078234 /nfs/dbraw/zinc/07/82/34/823078234.db2.gz PNBZDNXWVUUYFL-HKUYNNGSSA-N 2 1 378.442 4.175 20 0 GIADMP C[N@@H+](Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000570811509 823090741 /nfs/dbraw/zinc/09/07/41/823090741.db2.gz FSABGQQKMOJFCT-UHFFFAOYSA-N 2 1 392.547 4.376 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845166 823094655 /nfs/dbraw/zinc/09/46/55/823094655.db2.gz GJTJULNBVUNRAB-AZUAARDMSA-N 2 1 397.966 4.241 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845166 823094658 /nfs/dbraw/zinc/09/46/58/823094658.db2.gz GJTJULNBVUNRAB-AZUAARDMSA-N 2 1 397.966 4.241 20 0 GIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137467 823139376 /nfs/dbraw/zinc/13/93/76/823139376.db2.gz QKIIVIZGCRMCGN-OZOXKJRCSA-N 2 1 397.588 4.174 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201661 823147749 /nfs/dbraw/zinc/14/77/49/823147749.db2.gz PZEAPTCWYRXJGU-GOSISDBHSA-N 2 1 387.325 4.493 20 0 GIADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171669 /nfs/dbraw/zinc/17/16/69/823171669.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 2 1 381.568 4.366 20 0 GIADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171672 /nfs/dbraw/zinc/17/16/72/823171672.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 2 1 381.568 4.366 20 0 GIADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171674 /nfs/dbraw/zinc/17/16/74/823171674.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 2 1 381.568 4.366 20 0 GIADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171676 /nfs/dbraw/zinc/17/16/76/823171676.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 2 1 381.568 4.366 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccccc3F)CC2)cs1 ZINC000187998561 823169547 /nfs/dbraw/zinc/16/95/47/823169547.db2.gz DGNDMRPDPUAIKX-MRXNPFEDSA-N 2 1 375.557 4.277 20 0 GIADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391576 823176566 /nfs/dbraw/zinc/17/65/66/823176566.db2.gz FZPZYXBEDNUASF-SFHVURJKSA-N 2 1 377.960 4.257 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459394260 823182040 /nfs/dbraw/zinc/18/20/40/823182040.db2.gz RSSAAQCGPOZEBC-UHFFFAOYSA-N 2 1 377.326 4.286 20 0 GIADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000459401263 823184451 /nfs/dbraw/zinc/18/44/51/823184451.db2.gz LTDDDTONDXDULL-CQSZACIVSA-N 2 1 376.220 4.008 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000121502530 823195919 /nfs/dbraw/zinc/19/59/19/823195919.db2.gz YSUQDMXANNDYLN-CXAGYDPISA-N 2 1 378.314 4.094 20 0 GIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457733 823196087 /nfs/dbraw/zinc/19/60/87/823196087.db2.gz YGOQLHHMYXXDPL-OAHLLOKOSA-N 2 1 399.373 4.011 20 0 GIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457733 823196091 /nfs/dbraw/zinc/19/60/91/823196091.db2.gz YGOQLHHMYXXDPL-OAHLLOKOSA-N 2 1 399.373 4.011 20 0 GIADMP COCCNc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000571891283 823250447 /nfs/dbraw/zinc/25/04/47/823250447.db2.gz RZVAKZIKLXGHHM-UHFFFAOYSA-N 2 1 381.564 4.278 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccc(C)c3)CC(C)C)CC2)CC1 ZINC000572011962 823269212 /nfs/dbraw/zinc/26/92/12/823269212.db2.gz INFZZIXUAMFGPO-UHFFFAOYSA-N 2 1 399.623 4.176 20 0 GIADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764508 823299900 /nfs/dbraw/zinc/29/99/00/823299900.db2.gz CHJOZSJZABRXGU-MSOLQXFVSA-N 2 1 383.536 4.497 20 0 GIADMP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000572278983 823312045 /nfs/dbraw/zinc/31/20/45/823312045.db2.gz MKRDFQRTINZIOX-SFHVURJKSA-N 2 1 379.907 4.446 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000122314220 823336741 /nfs/dbraw/zinc/33/67/41/823336741.db2.gz GMCRPYQFVJBIBY-AOIWGVFYSA-N 2 1 380.598 4.205 20 0 GIADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1OCc1ccncc1 ZINC000176993055 823345125 /nfs/dbraw/zinc/34/51/25/823345125.db2.gz QHCFMPDVEDOCFR-UHFFFAOYSA-N 2 1 395.547 4.166 20 0 GIADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1OC ZINC000572519095 823353004 /nfs/dbraw/zinc/35/30/04/823353004.db2.gz YRUKJLOSMQXLPI-FRIKZZABSA-N 2 1 380.532 4.297 20 0 GIADMP O=C([C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)N1CCCCC1 ZINC000021702856 818728166 /nfs/dbraw/zinc/72/81/66/818728166.db2.gz IKJBSSIQAXQMEI-DEOSSOPVSA-N 2 1 391.559 4.126 20 0 GIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398249 823408293 /nfs/dbraw/zinc/40/82/93/823408293.db2.gz VRFGHJCTRYUMRO-LJQANCHMSA-N 2 1 398.856 4.215 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979056 823429357 /nfs/dbraw/zinc/42/93/57/823429357.db2.gz QXBYVGBVDVOJLZ-UPVQGACJSA-N 2 1 378.560 4.468 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979056 823429361 /nfs/dbraw/zinc/42/93/61/823429361.db2.gz QXBYVGBVDVOJLZ-UPVQGACJSA-N 2 1 378.560 4.468 20 0 GIADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000026304071 820080375 /nfs/dbraw/zinc/08/03/75/820080375.db2.gz XBUVVOUKDVQZAK-UHFFFAOYSA-N 2 1 392.547 4.225 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170684 823459400 /nfs/dbraw/zinc/45/94/00/823459400.db2.gz HRKTWNCUHKIDPL-RBBKRZOGSA-N 2 1 389.547 4.220 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC000410356301 823472091 /nfs/dbraw/zinc/47/20/91/823472091.db2.gz BHYISUYSCPTPFU-PCCBWWKXSA-N 2 1 375.516 4.179 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512305 823479949 /nfs/dbraw/zinc/47/99/49/823479949.db2.gz TZBCJDBBXMIKPM-KDURUIRLSA-N 2 1 383.536 4.053 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512305 823479953 /nfs/dbraw/zinc/47/99/53/823479953.db2.gz TZBCJDBBXMIKPM-KDURUIRLSA-N 2 1 383.536 4.053 20 0 GIADMP Cc1c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)sc2nc(C)nc(C)c12 ZINC000030630982 820653590 /nfs/dbraw/zinc/65/35/90/820653590.db2.gz WNOLCPCXLPBVTC-UHFFFAOYSA-N 2 1 380.561 4.155 20 0 GIADMP Cc1c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)sc2nc(C)nc(C)c12 ZINC000030630982 820653601 /nfs/dbraw/zinc/65/36/01/820653601.db2.gz WNOLCPCXLPBVTC-UHFFFAOYSA-N 2 1 380.561 4.155 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425600 821819969 /nfs/dbraw/zinc/81/99/69/821819969.db2.gz XOMMBZLRLXUYNY-GMBSWORKSA-N 2 1 393.622 4.436 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425600 821819984 /nfs/dbraw/zinc/81/99/84/821819984.db2.gz XOMMBZLRLXUYNY-GMBSWORKSA-N 2 1 393.622 4.436 20 0 GIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CCO1 ZINC000181996658 822057067 /nfs/dbraw/zinc/05/70/67/822057067.db2.gz QWZUASCMASYMEW-VGOFRKELSA-N 2 1 384.495 4.050 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CCO1 ZINC000181996658 822057080 /nfs/dbraw/zinc/05/70/80/822057080.db2.gz QWZUASCMASYMEW-VGOFRKELSA-N 2 1 384.495 4.050 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000182225549 822155620 /nfs/dbraw/zinc/15/56/20/822155620.db2.gz HJOYLKGJFKXUHW-WIYYLYMNSA-N 2 1 386.536 4.109 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243333 822164237 /nfs/dbraw/zinc/16/42/37/822164237.db2.gz QEHKIWGTKRFSAA-PGRDOPGGSA-N 2 1 375.516 4.042 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266098 822178013 /nfs/dbraw/zinc/17/80/13/822178013.db2.gz FAGIFOSGXFLFMA-KXBFYZLASA-N 2 1 392.515 4.419 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266740 822178028 /nfs/dbraw/zinc/17/80/28/822178028.db2.gz FGFCNFPNWRQAFK-GCJKJVERSA-N 2 1 376.500 4.364 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269321 822180623 /nfs/dbraw/zinc/18/06/23/822180623.db2.gz LMTFXENDFZALSA-YOEHRIQHSA-N 2 1 379.331 4.411 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000182312881 822199100 /nfs/dbraw/zinc/19/91/00/822199100.db2.gz VVEDDZWLQDXSIW-IBGZPJMESA-N 3 1 375.601 4.308 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)CCO4)CC2)cs1 ZINC000178092402 822315829 /nfs/dbraw/zinc/31/58/29/822315829.db2.gz SROFQDIEQJXHFC-INIZCTEOSA-N 2 1 385.577 4.203 20 0 GIADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Br)c1OC(F)F)C1CC1 ZINC000453601653 822391317 /nfs/dbraw/zinc/39/13/17/822391317.db2.gz UXIGBQDIRNLJFO-UHFFFAOYSA-N 2 1 377.273 4.015 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101505 822424526 /nfs/dbraw/zinc/42/45/26/822424526.db2.gz DJMKOMBEJBSSBG-TZIWHRDSSA-N 2 1 379.548 4.403 20 0 GIADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137671 822429326 /nfs/dbraw/zinc/42/93/26/822429326.db2.gz NBJUZUHOLGVOBS-PZUNEJSGSA-N 2 1 391.559 4.078 20 0 GIADMP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183141265 822430108 /nfs/dbraw/zinc/43/01/08/822430108.db2.gz UWBZHZRWKKRQEC-DLBZAZTESA-N 2 1 392.503 4.257 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000183143785 822430558 /nfs/dbraw/zinc/43/05/58/822430558.db2.gz OWKUOJNHTKTTOS-QYZOEREBSA-N 2 1 390.531 4.140 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183152184 822432069 /nfs/dbraw/zinc/43/20/69/822432069.db2.gz AOUMGMBWWXLEQL-ULQDDVLXSA-N 2 1 394.494 4.236 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179223877 822453567 /nfs/dbraw/zinc/45/35/67/822453567.db2.gz AVQMQVAJZVQULG-ZDUSSCGKSA-N 2 1 398.370 4.087 20 0 GIADMP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388471 822475588 /nfs/dbraw/zinc/47/55/88/822475588.db2.gz YVXMVUFSTLBKEE-GOSISDBHSA-N 2 1 391.519 4.431 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)oc1C ZINC000179429248 822481513 /nfs/dbraw/zinc/48/15/13/822481513.db2.gz ZGISBEMTHLTFRD-OAHLLOKOSA-N 2 1 388.581 4.190 20 0 GIADMP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179526898 822497387 /nfs/dbraw/zinc/49/73/87/822497387.db2.gz ACPVFQYHCLEAFP-ZIAGYGMSSA-N 2 1 377.248 4.184 20 0 GIADMP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000179526898 822497388 /nfs/dbraw/zinc/49/73/88/822497388.db2.gz ACPVFQYHCLEAFP-ZIAGYGMSSA-N 2 1 377.248 4.184 20 0 GIADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000183610796 822501005 /nfs/dbraw/zinc/50/10/05/822501005.db2.gz RSOBQSFRCKBRAA-OALUTQOASA-N 2 1 396.531 4.115 20 0 GIADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687266 822511286 /nfs/dbraw/zinc/51/12/86/822511286.db2.gz VKSVIAQZRNJVFP-IAGOWNOFSA-N 2 1 392.503 4.176 20 0 GIADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688135 822511616 /nfs/dbraw/zinc/51/16/16/822511616.db2.gz AHWCOJPIYMNZJN-SJORKVTESA-N 2 1 376.504 4.421 20 0 GIADMP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183689616 822511888 /nfs/dbraw/zinc/51/18/88/822511888.db2.gz GGJFNYRNSHKPPP-HZPDHXFCSA-N 2 1 390.487 4.061 20 0 GIADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183706939 822514652 /nfs/dbraw/zinc/51/46/52/822514652.db2.gz PUGTXTYOZXFJTD-IAGOWNOFSA-N 2 1 393.487 4.144 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180060935 822606535 /nfs/dbraw/zinc/60/65/35/822606535.db2.gz IBVMSTAMIWEODM-UZLBHIALSA-N 2 1 375.520 4.168 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180060935 822606538 /nfs/dbraw/zinc/60/65/38/822606538.db2.gz IBVMSTAMIWEODM-UZLBHIALSA-N 2 1 375.520 4.168 20 0 GIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113066 822617913 /nfs/dbraw/zinc/61/79/13/822617913.db2.gz VBGXMCRGWYQFCS-QHCPKHFHSA-N 2 1 380.511 4.279 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113066 822617915 /nfs/dbraw/zinc/61/79/15/822617915.db2.gz VBGXMCRGWYQFCS-QHCPKHFHSA-N 2 1 380.511 4.279 20 0 GIADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000184509383 822647718 /nfs/dbraw/zinc/64/77/18/822647718.db2.gz QODXZUBUPUWBPQ-RBUKOAKNSA-N 2 1 392.609 4.318 20 0 GIADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509341 822647786 /nfs/dbraw/zinc/64/77/86/822647786.db2.gz QODXZUBUPUWBPQ-OALUTQOASA-N 2 1 392.609 4.318 20 0 GIADMP C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000048749224 822681131 /nfs/dbraw/zinc/68/11/31/822681131.db2.gz QKHSPIKNIIGOSV-KRWDZBQOSA-N 2 1 385.939 4.414 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000049799435 822710206 /nfs/dbraw/zinc/71/02/06/822710206.db2.gz DPBIGGIPVYAYBZ-UHFFFAOYSA-N 2 1 397.567 4.442 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000174452419 822791753 /nfs/dbraw/zinc/79/17/53/822791753.db2.gz JFIQPYGOWYODPZ-UHFFFAOYSA-N 2 1 387.483 4.455 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000052209932 822793094 /nfs/dbraw/zinc/79/30/94/822793094.db2.gz FTGXTQARPMBKAI-UHFFFAOYSA-N 2 1 385.474 4.088 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000052209932 822793096 /nfs/dbraw/zinc/79/30/96/822793096.db2.gz FTGXTQARPMBKAI-UHFFFAOYSA-N 2 1 385.474 4.088 20 0 GIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516960 822799884 /nfs/dbraw/zinc/79/98/84/822799884.db2.gz BJGZHSHSGRNPJF-UTKZUKDTSA-N 2 1 378.495 4.251 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674184 822808886 /nfs/dbraw/zinc/80/88/86/822808886.db2.gz MPUZWJCWVAVYNI-HUUCEWRRSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674184 822808889 /nfs/dbraw/zinc/80/88/89/822808889.db2.gz MPUZWJCWVAVYNI-HUUCEWRRSA-N 2 1 397.535 4.182 20 0 GIADMP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC(C)C ZINC000185725308 822814954 /nfs/dbraw/zinc/81/49/54/822814954.db2.gz DVZAVTSPSCPIFH-DEOSSOPVSA-N 2 1 382.548 4.416 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751781 822817600 /nfs/dbraw/zinc/81/76/00/822817600.db2.gz PFBSRMFQWRTWGM-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751781 822817603 /nfs/dbraw/zinc/81/76/03/822817603.db2.gz PFBSRMFQWRTWGM-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751940 822817709 /nfs/dbraw/zinc/81/77/09/822817709.db2.gz UGFOIUUYCMUXQO-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751940 822817712 /nfs/dbraw/zinc/81/77/12/822817712.db2.gz UGFOIUUYCMUXQO-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765227 822818981 /nfs/dbraw/zinc/81/89/81/822818981.db2.gz UGPCVDNQWLNSNO-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765227 822818983 /nfs/dbraw/zinc/81/89/83/822818983.db2.gz UGPCVDNQWLNSNO-ZIAGYGMSSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791163 822831375 /nfs/dbraw/zinc/83/13/75/822831375.db2.gz MVYJQKNYUJFTHX-MRXNPFEDSA-N 2 1 393.959 4.016 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186282200 822869888 /nfs/dbraw/zinc/86/98/88/822869888.db2.gz JYIVWKNXPMZPLB-UHFFFAOYSA-N 2 1 389.975 4.079 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186282200 822869891 /nfs/dbraw/zinc/86/98/91/822869891.db2.gz JYIVWKNXPMZPLB-UHFFFAOYSA-N 2 1 389.975 4.079 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000569014689 822869956 /nfs/dbraw/zinc/86/99/56/822869956.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000569014689 822869960 /nfs/dbraw/zinc/86/99/60/822869960.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000569014689 822869964 /nfs/dbraw/zinc/86/99/64/822869964.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000569014689 822869965 /nfs/dbraw/zinc/86/99/65/822869965.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 2 1 386.971 4.119 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000175216430 822906532 /nfs/dbraw/zinc/90/65/32/822906532.db2.gz QOXRSNJDLPPAQR-NRFANRHFSA-N 2 1 397.567 4.393 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000175216430 822906535 /nfs/dbraw/zinc/90/65/35/822906535.db2.gz QOXRSNJDLPPAQR-NRFANRHFSA-N 2 1 397.567 4.393 20 0 GIADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000569420388 822920785 /nfs/dbraw/zinc/92/07/85/822920785.db2.gz LIVUUHKOVAWNHA-UHFFFAOYSA-N 2 1 385.939 4.231 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836627 822974259 /nfs/dbraw/zinc/97/42/59/822974259.db2.gz XHTVQZRZWKWBML-WOJBJXKFSA-N 2 1 389.547 4.493 20 0 GIADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928282 822986887 /nfs/dbraw/zinc/98/68/87/822986887.db2.gz AHBODLRVVJNTRQ-BMFZPTHFSA-N 2 1 394.441 4.138 20 0 GIADMP c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411281654 823561993 /nfs/dbraw/zinc/56/19/93/823561993.db2.gz ASJFYNBPRNZHRH-QFIPXVFZSA-N 2 1 389.547 4.095 20 0 GIADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380358 823567649 /nfs/dbraw/zinc/56/76/49/823567649.db2.gz ANVOVELRQFZMFG-JOCHJYFZSA-N 2 1 381.568 4.225 20 0 GIADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380359 823567677 /nfs/dbraw/zinc/56/76/77/823567677.db2.gz ANVOVELRQFZMFG-QFIPXVFZSA-N 2 1 381.568 4.225 20 0 GIADMP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000061016443 823573046 /nfs/dbraw/zinc/57/30/46/823573046.db2.gz CEZBXRAPHYBBJD-UHFFFAOYSA-N 2 1 378.520 4.405 20 0 GIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411497363 823581479 /nfs/dbraw/zinc/58/14/79/823581479.db2.gz ZBGHVBJXNYAIQQ-JOCHJYFZSA-N 2 1 377.536 4.202 20 0 GIADMP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514426 823583108 /nfs/dbraw/zinc/58/31/08/823583108.db2.gz GBQQNKZWTJPOLB-NVXWUHKLSA-N 2 1 388.943 4.175 20 0 GIADMP CC(CC[NH+]1CCC2(CCOCC2)[C@@H]1C)CC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000411523140 823584529 /nfs/dbraw/zinc/58/45/29/823584529.db2.gz GRNFTMBWNHVENH-VXKWHMMOSA-N 2 1 392.628 4.185 20 0 GIADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411547333 823587212 /nfs/dbraw/zinc/58/72/12/823587212.db2.gz BZCRUXBCZVNLEX-AZUAARDMSA-N 2 1 397.588 4.237 20 0 GIADMP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411706705 823598367 /nfs/dbraw/zinc/59/83/67/823598367.db2.gz YCVMHVXTRGJNKW-PKTZIBPZSA-N 2 1 376.548 4.226 20 0 GIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124500714 823601896 /nfs/dbraw/zinc/60/18/96/823601896.db2.gz XDDOCIYTKNLIOZ-UHFFFAOYSA-N 2 1 390.163 4.176 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000124598157 823609777 /nfs/dbraw/zinc/60/97/77/823609777.db2.gz LPOGVIBEROBEGJ-NXMSCROESA-N 2 1 380.532 4.082 20 0 GIADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)O[C@H](C)C2 ZINC000062426588 823634981 /nfs/dbraw/zinc/63/49/81/823634981.db2.gz PHNYDKUBISEJBS-UYAOXDASSA-N 2 1 380.532 4.020 20 0 GIADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)O[C@H](C)C2 ZINC000062426588 823634984 /nfs/dbraw/zinc/63/49/84/823634984.db2.gz PHNYDKUBISEJBS-UYAOXDASSA-N 2 1 380.532 4.020 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OCC4CC4)cc3)CC2)oc1C ZINC000191010564 823638108 /nfs/dbraw/zinc/63/81/08/823638108.db2.gz KZTDNTJDWYCQSZ-UHFFFAOYSA-N 2 1 383.536 4.082 20 0 GIADMP CC(C)C[NH+]1CCC(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000063647497 823686595 /nfs/dbraw/zinc/68/65/95/823686595.db2.gz LZBZJRLAPSTTLB-UHFFFAOYSA-N 2 1 382.552 4.361 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508418 823693230 /nfs/dbraw/zinc/69/32/30/823693230.db2.gz POCRVYSOCKSJGE-INIZCTEOSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508418 823693231 /nfs/dbraw/zinc/69/32/31/823693231.db2.gz POCRVYSOCKSJGE-INIZCTEOSA-N 2 1 385.487 4.416 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(Br)ccc43)CC2)[nH+]c1 ZINC000163459313 823711453 /nfs/dbraw/zinc/71/14/53/823711453.db2.gz CQHJJIAAZNJKFB-LJQANCHMSA-N 2 1 386.337 4.398 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000163677734 823736119 /nfs/dbraw/zinc/73/61/19/823736119.db2.gz HDXAZZVEJVDBEM-LJQANCHMSA-N 2 1 398.547 4.200 20 0 GIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000163966746 823766636 /nfs/dbraw/zinc/76/66/36/823766636.db2.gz JDDNVGWGCSLEPD-RUZDIDTESA-N 2 1 394.559 4.262 20 0 GIADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000461962808 823773536 /nfs/dbraw/zinc/77/35/36/823773536.db2.gz XQUAUSQLYRQAAQ-GOSISDBHSA-N 2 1 385.556 4.005 20 0 GIADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041571 823808705 /nfs/dbraw/zinc/80/87/05/823808705.db2.gz VMJIYKXDQIEYGJ-JOCHJYFZSA-N 2 1 382.548 4.370 20 0 GIADMP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113588 823832163 /nfs/dbraw/zinc/83/21/63/823832163.db2.gz TXZJOQITIGZSBF-YLJYHZDGSA-N 2 1 383.502 4.162 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307949 823843526 /nfs/dbraw/zinc/84/35/26/823843526.db2.gz RUHKPYIXYSRTEF-TZIWHRDSSA-N 2 1 380.532 4.063 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000126395377 823855956 /nfs/dbraw/zinc/85/59/56/823855956.db2.gz JGVWIEYTSMHSMA-GJZGRUSLSA-N 2 1 377.517 4.467 20 0 GIADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(OC)c1Cl ZINC000574961075 823872816 /nfs/dbraw/zinc/87/28/16/823872816.db2.gz GDQPRAXJUMHWKB-UHFFFAOYSA-N 2 1 376.928 4.441 20 0 GIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(OC)c1Cl ZINC000574961075 823872821 /nfs/dbraw/zinc/87/28/21/823872821.db2.gz GDQPRAXJUMHWKB-UHFFFAOYSA-N 2 1 376.928 4.441 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664505 823880731 /nfs/dbraw/zinc/88/07/31/823880731.db2.gz CMAVNFFMHIOZTL-HUUCEWRRSA-N 2 1 397.910 4.297 20 0 GIADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000167876815 823897522 /nfs/dbraw/zinc/89/75/22/823897522.db2.gz NZLSOABAMQLKKX-JTAQYXEDSA-N 2 1 380.580 4.011 20 0 GIADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000167876815 823897527 /nfs/dbraw/zinc/89/75/27/823897527.db2.gz NZLSOABAMQLKKX-JTAQYXEDSA-N 2 1 380.580 4.011 20 0 GIADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1C(F)(F)F ZINC000414258776 823943868 /nfs/dbraw/zinc/94/38/68/823943868.db2.gz MEAHNNLMFLRHRZ-UHFFFAOYSA-N 2 1 378.438 4.136 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000126806432 823955941 /nfs/dbraw/zinc/95/59/41/823955941.db2.gz PJVJKYJAKPGHEP-OALUTQOASA-N 2 1 388.577 4.336 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000126806432 823955947 /nfs/dbraw/zinc/95/59/47/823955947.db2.gz PJVJKYJAKPGHEP-OALUTQOASA-N 2 1 388.577 4.336 20 0 GIADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000575809751 824001472 /nfs/dbraw/zinc/00/14/72/824001472.db2.gz ZTNVMNXXCORHEN-UHFFFAOYSA-N 2 1 377.532 4.133 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822586 824004212 /nfs/dbraw/zinc/00/42/12/824004212.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822586 824004216 /nfs/dbraw/zinc/00/42/16/824004216.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822586 824004224 /nfs/dbraw/zinc/00/42/24/824004224.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822586 824004229 /nfs/dbraw/zinc/00/42/29/824004229.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 2 1 389.543 4.023 20 0 GIADMP CC[NH2+]CC1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000414703511 824025241 /nfs/dbraw/zinc/02/52/41/824025241.db2.gz CHUPQRHBDFEYFK-UHFFFAOYSA-N 2 1 386.584 4.305 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000414713370 824025607 /nfs/dbraw/zinc/02/56/07/824025607.db2.gz OZSOVBQHGFKZFN-UHFFFAOYSA-N 2 1 398.595 4.449 20 0 GIADMP Cc1ccccc1-c1ccc(C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)s1 ZINC000414749000 824032778 /nfs/dbraw/zinc/03/27/78/824032778.db2.gz PFGNEJACPVOUGI-IBGZPJMESA-N 2 1 399.604 4.131 20 0 GIADMP Cc1ccccc1-c1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)s1 ZINC000414749001 824032839 /nfs/dbraw/zinc/03/28/39/824032839.db2.gz PFGNEJACPVOUGI-LJQANCHMSA-N 2 1 399.604 4.131 20 0 GIADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414790666 824036650 /nfs/dbraw/zinc/03/66/50/824036650.db2.gz PNBRDWZXRJGTNO-UHFFFAOYSA-N 2 1 394.437 4.135 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413127 718881249 /nfs/dbraw/zinc/88/12/49/718881249.db2.gz CDPBXKRMFXFWKH-MSOLQXFVSA-N 2 1 396.501 4.282 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164843880 720696239 /nfs/dbraw/zinc/69/62/39/720696239.db2.gz RSEIONCNTPLJIZ-FQEVSTJZSA-N 2 1 390.531 4.131 20 0 GIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@H]21 ZINC001165026471 721809110 /nfs/dbraw/zinc/80/91/10/721809110.db2.gz QSGYZFKGTJPADI-KJXAQDMKSA-N 2 1 376.548 4.092 20 0 GIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@H]21 ZINC001165026471 721809111 /nfs/dbraw/zinc/80/91/11/721809111.db2.gz QSGYZFKGTJPADI-KJXAQDMKSA-N 2 1 376.548 4.092 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357039 823048789 /nfs/dbraw/zinc/04/87/89/823048789.db2.gz OYGLLODBWARIKQ-HOCLYGCPSA-N 2 1 381.358 4.200 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357039 823048782 /nfs/dbraw/zinc/04/87/82/823048782.db2.gz OYGLLODBWARIKQ-HOCLYGCPSA-N 2 1 381.358 4.200 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356976 823048936 /nfs/dbraw/zinc/04/89/36/823048936.db2.gz GSTVWWGNAIZDLL-NQIIRXRSSA-N 2 1 379.548 4.500 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356976 823048941 /nfs/dbraw/zinc/04/89/41/823048941.db2.gz GSTVWWGNAIZDLL-NQIIRXRSSA-N 2 1 379.548 4.500 20 0 GIADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OCc1cccnc1 ZINC000120760309 823058550 /nfs/dbraw/zinc/05/85/50/823058550.db2.gz WLKLSUCVINVZRF-NRFANRHFSA-N 2 1 397.563 4.127 20 0 GIADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCC(F)(F)F ZINC000120816163 823069956 /nfs/dbraw/zinc/06/99/56/823069956.db2.gz MWQAGGXENDGEEZ-KRWDZBQOSA-N 2 1 388.474 4.094 20 0 GIADMP OC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682035 823071551 /nfs/dbraw/zinc/07/15/51/823071551.db2.gz ORUJEVLJLBSLED-UXHICEINSA-N 2 1 384.951 4.203 20 0 GIADMP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682035 823071555 /nfs/dbraw/zinc/07/15/55/823071555.db2.gz ORUJEVLJLBSLED-UXHICEINSA-N 2 1 384.951 4.203 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000459405859 823185815 /nfs/dbraw/zinc/18/58/15/823185815.db2.gz FLJSHDFFLWZWRG-UHFFFAOYSA-N 2 1 381.549 4.044 20 0 GIADMP COc1ccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1OC ZINC000459413882 823187729 /nfs/dbraw/zinc/18/77/29/823187729.db2.gz XXHDJERRALPIFA-QFIPXVFZSA-N 2 1 380.532 4.204 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434482 823191615 /nfs/dbraw/zinc/19/16/15/823191615.db2.gz OTESZCITSAXNDO-XQFWAAQXSA-N 2 1 399.604 4.146 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434482 823191618 /nfs/dbraw/zinc/19/16/18/823191618.db2.gz OTESZCITSAXNDO-XQFWAAQXSA-N 2 1 399.604 4.146 20 0 GIADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442390 823192712 /nfs/dbraw/zinc/19/27/12/823192712.db2.gz JKMAPBLJWXXAHZ-UTKZUKDTSA-N 2 1 395.513 4.305 20 0 GIADMP C[C@@H](CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCCC1 ZINC000459490560 823203328 /nfs/dbraw/zinc/20/33/28/823203328.db2.gz WPZXLIWFFDOFKR-IBGZPJMESA-N 2 1 381.568 4.414 20 0 GIADMP O=C1CC[C@@H](C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517880 823209701 /nfs/dbraw/zinc/20/97/01/823209701.db2.gz GDHGNIFGKOOXEH-ISKFKSNPSA-N 2 1 397.607 4.060 20 0 GIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000121650026 823222554 /nfs/dbraw/zinc/22/25/54/823222554.db2.gz NWCBEVYSBQCEJN-KRWDZBQOSA-N 2 1 383.511 4.142 20 0 GIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)CC1 ZINC000459552112 823218852 /nfs/dbraw/zinc/21/88/52/823218852.db2.gz RCKICOBJRGKESK-HXUWFJFHSA-N 2 1 393.579 4.224 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000176587276 823242801 /nfs/dbraw/zinc/24/28/01/823242801.db2.gz GVMPOFAGVBTDOW-UHFFFAOYSA-N 2 1 387.568 4.194 20 0 GIADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121789696 823251758 /nfs/dbraw/zinc/25/17/58/823251758.db2.gz QYDADVWOQJYYFR-XMMPIXPASA-N 2 1 392.543 4.011 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132876 823288211 /nfs/dbraw/zinc/28/82/11/823288211.db2.gz QEPRDDVSIVUXPB-GOTSBHOMSA-N 2 1 397.607 4.025 20 0 GIADMP CC1(C)CC[C@H](C[NH+]2CCCC3(CCC[N@H+](C[C@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326095 823320576 /nfs/dbraw/zinc/32/05/76/823320576.db2.gz ATNDVIGVMVKJFM-VJOPYQGCSA-N 2 1 378.601 4.080 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000572364798 823328055 /nfs/dbraw/zinc/32/80/55/823328055.db2.gz QMOIXXWLSMMBES-KGSLCBSSSA-N 2 1 377.532 4.042 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000572364798 823328059 /nfs/dbraw/zinc/32/80/59/823328059.db2.gz QMOIXXWLSMMBES-KGSLCBSSSA-N 2 1 377.532 4.042 20 0 GIADMP Clc1cccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000057889166 823345186 /nfs/dbraw/zinc/34/51/86/823345186.db2.gz NTLMLQKBSIAYHM-UHFFFAOYSA-N 2 1 388.943 4.478 20 0 GIADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)cc1 ZINC000409946003 823350257 /nfs/dbraw/zinc/35/02/57/823350257.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)cc1 ZINC000409946003 823350264 /nfs/dbraw/zinc/35/02/64/823350264.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000409946003 823350269 /nfs/dbraw/zinc/35/02/69/823350269.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 2 1 399.604 4.157 20 0 GIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000409946003 823350273 /nfs/dbraw/zinc/35/02/73/823350273.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 2 1 399.604 4.157 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460361355 823363949 /nfs/dbraw/zinc/36/39/49/823363949.db2.gz HBPALQNLVKEFQN-ROUUACIJSA-N 2 1 399.966 4.333 20 0 GIADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310394 823391936 /nfs/dbraw/zinc/39/19/36/823391936.db2.gz CZBAJHCNKPJWTG-ROUUACIJSA-N 2 1 390.877 4.216 20 0 GIADMP COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000572972073 823428358 /nfs/dbraw/zinc/42/83/58/823428358.db2.gz NMULNTRSDCVYJB-QFIPXVFZSA-N 2 1 393.531 4.252 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000180643818 821380147 /nfs/dbraw/zinc/38/01/47/821380147.db2.gz XONNVDXLJZVANF-UIOOFZCWSA-N 2 1 386.539 4.327 20 0 GIADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000180738438 821426454 /nfs/dbraw/zinc/42/64/54/821426454.db2.gz LCXITEOTPCVEMB-QZTJIDSGSA-N 2 1 387.593 4.413 20 0 GIADMP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181659914 821928539 /nfs/dbraw/zinc/92/85/39/821928539.db2.gz NFWRIPXELKGYPX-PXNSSMCTSA-N 2 1 397.544 4.084 20 0 GIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CCO1 ZINC000181996681 822057542 /nfs/dbraw/zinc/05/75/42/822057542.db2.gz QWZUASCMASYMEW-HTAPYJJXSA-N 2 1 384.495 4.050 20 0 GIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CCO1 ZINC000181996681 822057553 /nfs/dbraw/zinc/05/75/53/822057553.db2.gz QWZUASCMASYMEW-HTAPYJJXSA-N 2 1 384.495 4.050 20 0 GIADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182237014 822160507 /nfs/dbraw/zinc/16/05/07/822160507.db2.gz GGWKYZJSUHTFRM-OXQOHEQNSA-N 2 1 388.939 4.156 20 0 GIADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244810 822165778 /nfs/dbraw/zinc/16/57/78/822165778.db2.gz VUBHVLAGSGYZQY-ISKFKSNPSA-N 2 1 394.559 4.264 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979142 822267216 /nfs/dbraw/zinc/26/72/16/822267216.db2.gz DOXSGARMGATSLK-KRWDZBQOSA-N 2 1 383.536 4.345 20 0 GIADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177979627 822268059 /nfs/dbraw/zinc/26/80/59/822268059.db2.gz PDBJRURXCQOJLG-GOSISDBHSA-N 2 1 383.536 4.042 20 0 GIADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178167808 822339364 /nfs/dbraw/zinc/33/93/64/822339364.db2.gz HGODJKZIWMWGHG-IBGZPJMESA-N 2 1 387.568 4.000 20 0 GIADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243075 822357831 /nfs/dbraw/zinc/35/78/31/822357831.db2.gz GMAKQVXHNWCQCF-LJQANCHMSA-N 2 1 383.502 4.132 20 0 GIADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243075 822357834 /nfs/dbraw/zinc/35/78/34/822357834.db2.gz GMAKQVXHNWCQCF-LJQANCHMSA-N 2 1 383.502 4.132 20 0 GIADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCS2 ZINC000178255881 822359357 /nfs/dbraw/zinc/35/93/57/822359357.db2.gz IEPFHJSYROWHPR-QGZVFWFLSA-N 2 1 381.383 4.450 20 0 GIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183129021 822428262 /nfs/dbraw/zinc/42/82/62/822428262.db2.gz RXMHNGBTBABSCG-YFNKSVMNSA-N 2 1 377.532 4.035 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151124 822431910 /nfs/dbraw/zinc/43/19/10/822431910.db2.gz PTJUADOHUVJSKY-HZPDHXFCSA-N 2 1 380.467 4.306 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000046372764 822467017 /nfs/dbraw/zinc/46/70/17/822467017.db2.gz DOVQKDOGMAISGY-SFHVURJKSA-N 2 1 383.540 4.051 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000046372764 822467018 /nfs/dbraw/zinc/46/70/18/822467018.db2.gz DOVQKDOGMAISGY-SFHVURJKSA-N 2 1 383.540 4.051 20 0 GIADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388392 822475213 /nfs/dbraw/zinc/47/52/13/822475213.db2.gz WRFMKGUKSGPZLH-HXUWFJFHSA-N 2 1 394.563 4.264 20 0 GIADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391396 822475794 /nfs/dbraw/zinc/47/57/94/822475794.db2.gz SXPXHLFCVQJQDM-GOSISDBHSA-N 2 1 398.526 4.095 20 0 GIADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000179511514 822493667 /nfs/dbraw/zinc/49/36/67/822493667.db2.gz SVORVCGHTKLMKO-QHCPKHFHSA-N 2 1 379.479 4.040 20 0 GIADMP CSc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183671938 822508826 /nfs/dbraw/zinc/50/88/26/822508826.db2.gz HUYIVFTYYDOZPW-OAHLLOKOSA-N 2 1 380.517 4.192 20 0 GIADMP CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183685508 822511167 /nfs/dbraw/zinc/51/11/67/822511167.db2.gz NSNWFOWYHVGWJZ-HNNXBMFYSA-N 2 1 380.517 4.192 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083805 822575670 /nfs/dbraw/zinc/57/56/70/822575670.db2.gz OCOIIWWHVQGIEA-SXGZJXTBSA-N 2 1 384.395 4.276 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180109984 822617300 /nfs/dbraw/zinc/61/73/00/822617300.db2.gz KKOTZPURSMYVNM-RUZDIDTESA-N 2 1 379.592 4.400 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464297 822686897 /nfs/dbraw/zinc/68/68/97/822686897.db2.gz NSZUDDLNJLVYQC-FUHWJXTLSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464297 822686895 /nfs/dbraw/zinc/68/68/95/822686895.db2.gz NSZUDDLNJLVYQC-FUHWJXTLSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942366 822754393 /nfs/dbraw/zinc/75/43/93/822754393.db2.gz VDEWURGFHZGDIX-ODOSVJCGSA-N 2 1 392.547 4.193 20 0 GIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942365 822754445 /nfs/dbraw/zinc/75/44/45/822754445.db2.gz VDEWURGFHZGDIX-OAOOKAIFSA-N 2 1 392.547 4.193 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663393 822808078 /nfs/dbraw/zinc/80/80/78/822808078.db2.gz PLGIATJFHKNLQM-FPOVZHCZSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663393 822808081 /nfs/dbraw/zinc/80/80/81/822808081.db2.gz PLGIATJFHKNLQM-FPOVZHCZSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678516 822809398 /nfs/dbraw/zinc/80/93/98/822809398.db2.gz OMLJSIFXKBKYCJ-HBFSDRIKSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678516 822809401 /nfs/dbraw/zinc/80/94/01/822809401.db2.gz OMLJSIFXKBKYCJ-HBFSDRIKSA-N 2 1 379.548 4.409 20 0 GIADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCc1cccs1 ZINC000174600458 822810445 /nfs/dbraw/zinc/81/04/45/822810445.db2.gz ABSLGOMRRJVSPT-YQQQUEKLSA-N 2 1 386.561 4.441 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722648 822814479 /nfs/dbraw/zinc/81/44/79/822814479.db2.gz QXZDEHOIYQIBEP-JYJNAYRXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722648 822814482 /nfs/dbraw/zinc/81/44/82/822814482.db2.gz QXZDEHOIYQIBEP-JYJNAYRXSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725305 822814932 /nfs/dbraw/zinc/81/49/32/822814932.db2.gz KXCTXDWZOWUSNA-SQGPQFPESA-N 2 1 389.971 4.078 20 0 GIADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725305 822814936 /nfs/dbraw/zinc/81/49/36/822814936.db2.gz KXCTXDWZOWUSNA-SQGPQFPESA-N 2 1 389.971 4.078 20 0 GIADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748363 822817338 /nfs/dbraw/zinc/81/73/38/822817338.db2.gz SZPRKQKRLXHXIS-RZUBCFFCSA-N 2 1 385.596 4.055 20 0 GIADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748363 822817341 /nfs/dbraw/zinc/81/73/41/822817341.db2.gz SZPRKQKRLXHXIS-RZUBCFFCSA-N 2 1 385.596 4.055 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749624 822817468 /nfs/dbraw/zinc/81/74/68/822817468.db2.gz VGRXEPAAUDGJHK-SIKLNZKXSA-N 2 1 383.580 4.055 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749624 822817471 /nfs/dbraw/zinc/81/74/71/822817471.db2.gz VGRXEPAAUDGJHK-SIKLNZKXSA-N 2 1 383.580 4.055 20 0 GIADMP CC[NH+]1CCC(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000175215953 822906546 /nfs/dbraw/zinc/90/65/46/822906546.db2.gz NILNLVVEKFCCTF-UHFFFAOYSA-N 2 1 397.567 4.298 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175216370 822906648 /nfs/dbraw/zinc/90/66/48/822906648.db2.gz MWLMKLKUKZSWAS-XLIONFOSSA-N 2 1 383.540 4.001 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000175216370 822906653 /nfs/dbraw/zinc/90/66/53/822906653.db2.gz MWLMKLKUKZSWAS-XLIONFOSSA-N 2 1 383.540 4.001 20 0 GIADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000175217357 822906895 /nfs/dbraw/zinc/90/68/95/822906895.db2.gz AMJSACJWXNWTRT-FQEVSTJZSA-N 2 1 383.540 4.003 20 0 GIADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386526 822914429 /nfs/dbraw/zinc/91/44/29/822914429.db2.gz HXFXBISIUCEGGO-UPVQGACJSA-N 2 1 394.559 4.169 20 0 GIADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386526 822914432 /nfs/dbraw/zinc/91/44/32/822914432.db2.gz HXFXBISIUCEGGO-UPVQGACJSA-N 2 1 394.559 4.169 20 0 GIADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000055043151 822933712 /nfs/dbraw/zinc/93/37/12/822933712.db2.gz MMVYARVPQKCLBF-UHFFFAOYSA-N 2 1 390.506 4.395 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836626 822974322 /nfs/dbraw/zinc/97/43/22/822974322.db2.gz XHTVQZRZWKWBML-VQTJNVASSA-N 2 1 389.547 4.493 20 0 GIADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCS2 ZINC000186944780 822984471 /nfs/dbraw/zinc/98/44/71/822984471.db2.gz DCVUAGABTGIXQQ-QFIPXVFZSA-N 2 1 382.573 4.462 20 0 GIADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928285 822986914 /nfs/dbraw/zinc/98/69/14/822986914.db2.gz AHBODLRVVJNTRQ-VNQPRFMTSA-N 2 1 394.441 4.138 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000570369726 823030179 /nfs/dbraw/zinc/03/01/79/823030179.db2.gz XUTGOVOLHCDCRI-QGZVFWFLSA-N 2 1 384.467 4.013 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564046 /nfs/dbraw/zinc/56/40/46/823564046.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564051 /nfs/dbraw/zinc/56/40/51/823564051.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 2 1 399.604 4.148 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564055 /nfs/dbraw/zinc/56/40/55/823564055.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 2 1 399.604 4.148 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568144 /nfs/dbraw/zinc/56/81/44/823568144.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568145 /nfs/dbraw/zinc/56/81/45/823568145.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568146 /nfs/dbraw/zinc/56/81/46/823568146.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 2 1 399.604 4.006 20 0 GIADMP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514756 823583261 /nfs/dbraw/zinc/58/32/61/823583261.db2.gz GRIDNLJFPSAIIK-RDJZCZTQSA-N 2 1 388.943 4.175 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411631581 823592648 /nfs/dbraw/zinc/59/26/48/823592648.db2.gz MXXHLAGWCWAOIN-UHFFFAOYSA-N 2 1 397.350 4.493 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411631581 823592651 /nfs/dbraw/zinc/59/26/51/823592651.db2.gz MXXHLAGWCWAOIN-UHFFFAOYSA-N 2 1 397.350 4.493 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000062426991 823635227 /nfs/dbraw/zinc/63/52/27/823635227.db2.gz VBLSBDAOCJRCPI-QFIPXVFZSA-N 2 1 388.559 4.418 20 0 GIADMP Cc1csc(N2CCC([NH2+]C3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)n1 ZINC000125067915 823649630 /nfs/dbraw/zinc/64/96/30/823649630.db2.gz PZPLZXOGTSJDRQ-GOSISDBHSA-N 2 1 384.593 4.236 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000125196090 823658341 /nfs/dbraw/zinc/65/83/41/823658341.db2.gz NPRKQSRCJLRDTB-RBUKOAKNSA-N 2 1 375.520 4.144 20 0 GIADMP FC(F)(F)c1ccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000125295001 823665705 /nfs/dbraw/zinc/66/57/05/823665705.db2.gz UIGSIBKCKZDRGO-CQSZACIVSA-N 2 1 379.426 4.166 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492484 823690858 /nfs/dbraw/zinc/69/08/58/823690858.db2.gz BBKVKSIBLRMBFG-GOSISDBHSA-N 2 1 378.520 4.338 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492484 823690861 /nfs/dbraw/zinc/69/08/61/823690861.db2.gz BBKVKSIBLRMBFG-GOSISDBHSA-N 2 1 378.520 4.338 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CCS2 ZINC000191501341 823692011 /nfs/dbraw/zinc/69/20/11/823692011.db2.gz GKLNJYQJQFLUSZ-VGOFRKELSA-N 2 1 398.572 4.243 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CCS2 ZINC000191501341 823692013 /nfs/dbraw/zinc/69/20/13/823692013.db2.gz GKLNJYQJQFLUSZ-VGOFRKELSA-N 2 1 398.572 4.243 20 0 GIADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000125653367 823693728 /nfs/dbraw/zinc/69/37/28/823693728.db2.gz CUFPIXVCUXGMHV-MOPGFXCFSA-N 2 1 392.609 4.176 20 0 GIADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125672535 823695472 /nfs/dbraw/zinc/69/54/72/823695472.db2.gz QHJXIMRNBSOMEC-UHFFFAOYSA-N 2 1 388.581 4.050 20 0 GIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[C@H](c4ccccc4)O3)CC2)cc1 ZINC000574362987 823708840 /nfs/dbraw/zinc/70/88/40/823708840.db2.gz UQZMMTXNEZKQDE-DNQXCXABSA-N 2 1 382.523 4.343 20 0 GIADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163955127 823765516 /nfs/dbraw/zinc/76/55/16/823765516.db2.gz LTVJYUYIOMHTFP-CLOONOSVSA-N 2 1 394.559 4.199 20 0 GIADMP C[C@@H](CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559124 823766434 /nfs/dbraw/zinc/76/64/34/823766434.db2.gz SMPJHAOYYOCPIY-DHLKQENFSA-N 2 1 377.576 4.072 20 0 GIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000163966859 823766825 /nfs/dbraw/zinc/76/68/25/823766825.db2.gz JDDNVGWGCSLEPD-VWLOTQADSA-N 2 1 394.559 4.262 20 0 GIADMP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163966372 823766865 /nfs/dbraw/zinc/76/68/65/823766865.db2.gz SNLXYJVWDRSQJA-FQEVSTJZSA-N 2 1 382.548 4.335 20 0 GIADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041345 823772560 /nfs/dbraw/zinc/77/25/60/823772560.db2.gz HTUIPHFQGKSJQN-SFHVURJKSA-N 2 1 395.547 4.194 20 0 GIADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000164586306 823810408 /nfs/dbraw/zinc/81/04/08/823810408.db2.gz SKZYKISFKCWPFK-MSYCTHLASA-N 2 1 379.548 4.013 20 0 GIADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743938 823816170 /nfs/dbraw/zinc/81/61/70/823816170.db2.gz HAWKVTQBDIIUHC-RCCFBDPRSA-N 2 1 399.362 4.175 20 0 GIADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297221 823842415 /nfs/dbraw/zinc/84/24/15/823842415.db2.gz KXPAZUWKPQIKQG-TZIWHRDSSA-N 2 1 382.548 4.227 20 0 GIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137042 823870561 /nfs/dbraw/zinc/87/05/61/823870561.db2.gz IWXVGEFTBSYSFK-WIOPSUGQSA-N 2 1 378.560 4.451 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059446 823898009 /nfs/dbraw/zinc/89/80/09/823898009.db2.gz IPRVNMHVOAKTAF-IFMALSPDSA-N 2 1 378.004 4.374 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076210 823903400 /nfs/dbraw/zinc/90/34/00/823903400.db2.gz YBKVNKFREURFER-UNMCSNQZSA-N 2 1 378.004 4.374 20 0 GIADMP CCOc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OC ZINC000168812637 823906372 /nfs/dbraw/zinc/90/63/72/823906372.db2.gz JVKZMNSHZYXXFI-UHFFFAOYSA-N 2 1 386.511 4.030 20 0 GIADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414200365 823927552 /nfs/dbraw/zinc/92/75/52/823927552.db2.gz XUFYSKFDHNHZPQ-NLWGTHIKSA-N 2 1 378.532 4.156 20 0 GIADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180430 823933073 /nfs/dbraw/zinc/93/30/73/823933073.db2.gz VGYAFLMFMQNKCY-JTHBVZDNSA-N 2 1 389.543 4.271 20 0 GIADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180430 823933080 /nfs/dbraw/zinc/93/30/80/823933080.db2.gz VGYAFLMFMQNKCY-JTHBVZDNSA-N 2 1 389.543 4.271 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852638 823966769 /nfs/dbraw/zinc/96/67/69/823966769.db2.gz AWXDWRIZQIDATI-OALUTQOASA-N 2 1 380.561 4.497 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852638 823966777 /nfs/dbraw/zinc/96/67/77/823966777.db2.gz AWXDWRIZQIDATI-OALUTQOASA-N 2 1 380.561 4.497 20 0 GIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780162 823970220 /nfs/dbraw/zinc/97/02/20/823970220.db2.gz JCAILIOUWYIOQT-HDICACEKSA-N 2 1 385.577 4.131 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)cs1 ZINC000192442350 823994548 /nfs/dbraw/zinc/99/45/48/823994548.db2.gz DNNOOSOCTILEMD-LJQANCHMSA-N 2 1 399.604 4.073 20 0 GIADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790625 823997024 /nfs/dbraw/zinc/99/70/24/823997024.db2.gz PZPFTZLQCZTKMR-BJKOFHAPSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790625 823997031 /nfs/dbraw/zinc/99/70/31/823997031.db2.gz PZPFTZLQCZTKMR-BJKOFHAPSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790625 823997039 /nfs/dbraw/zinc/99/70/39/823997039.db2.gz PZPFTZLQCZTKMR-BJKOFHAPSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790625 823997043 /nfs/dbraw/zinc/99/70/43/823997043.db2.gz PZPFTZLQCZTKMR-BJKOFHAPSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735080 720450311 /nfs/dbraw/zinc/45/03/11/720450311.db2.gz VSVMASNQPBHMKA-XZOQPEGZSA-N 2 1 399.542 4.083 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735080 720450319 /nfs/dbraw/zinc/45/03/19/720450319.db2.gz VSVMASNQPBHMKA-XZOQPEGZSA-N 2 1 399.542 4.083 20 0 GIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@H]21 ZINC001165026474 721809308 /nfs/dbraw/zinc/80/93/08/721809308.db2.gz QSGYZFKGTJPADI-XKCSPQBFSA-N 2 1 376.548 4.092 20 0 GIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@H]21 ZINC001165026474 721809310 /nfs/dbraw/zinc/80/93/10/721809310.db2.gz QSGYZFKGTJPADI-XKCSPQBFSA-N 2 1 376.548 4.092 20 0 GIADMP COc1ccc2c[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2c1 ZINC001164955838 722020032 /nfs/dbraw/zinc/02/00/32/722020032.db2.gz OSNHLRJCKHFUBQ-UHFFFAOYSA-N 2 1 388.515 4.131 20 0 GIADMP COc1ccc2c[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc2c1 ZINC001164955838 722020036 /nfs/dbraw/zinc/02/00/36/722020036.db2.gz OSNHLRJCKHFUBQ-UHFFFAOYSA-N 2 1 388.515 4.131 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356959 823048830 /nfs/dbraw/zinc/04/88/30/823048830.db2.gz GSTVWWGNAIZDLL-RXVVDRJESA-N 2 1 379.548 4.500 20 0 GIADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356959 823048836 /nfs/dbraw/zinc/04/88/36/823048836.db2.gz GSTVWWGNAIZDLL-RXVVDRJESA-N 2 1 379.548 4.500 20 0 GIADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106874 /nfs/dbraw/zinc/10/68/74/823106874.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 2 1 378.564 4.143 20 0 GIADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106877 /nfs/dbraw/zinc/10/68/77/823106877.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 2 1 378.564 4.143 20 0 GIADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106880 /nfs/dbraw/zinc/10/68/80/823106880.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 2 1 378.564 4.143 20 0 GIADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106882 /nfs/dbraw/zinc/10/68/82/823106882.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 2 1 378.564 4.143 20 0 GIADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106885 /nfs/dbraw/zinc/10/68/85/823106885.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 2 1 378.564 4.143 20 0 GIADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459324327 823161395 /nfs/dbraw/zinc/16/13/95/823161395.db2.gz JPVQUIZKBAMGQU-UHFFFAOYSA-N 2 1 381.568 4.366 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459324327 823161399 /nfs/dbraw/zinc/16/13/99/823161399.db2.gz JPVQUIZKBAMGQU-UHFFFAOYSA-N 2 1 381.568 4.366 20 0 GIADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163551 /nfs/dbraw/zinc/16/35/51/823163551.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 2 1 393.579 4.224 20 0 GIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163558 /nfs/dbraw/zinc/16/35/58/823163558.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 2 1 393.579 4.224 20 0 GIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163562 /nfs/dbraw/zinc/16/35/62/823163562.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 2 1 393.579 4.224 20 0 GIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163567 /nfs/dbraw/zinc/16/35/67/823163567.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 2 1 393.579 4.224 20 0 GIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179300 /nfs/dbraw/zinc/17/93/00/823179300.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 2 1 381.568 4.365 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179303 /nfs/dbraw/zinc/17/93/03/823179303.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179305 /nfs/dbraw/zinc/17/93/05/823179305.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179307 /nfs/dbraw/zinc/17/93/07/823179307.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 2 1 381.568 4.365 20 0 GIADMP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c(C(F)(F)F)c2)n1 ZINC000459386872 823179974 /nfs/dbraw/zinc/17/99/74/823179974.db2.gz BSDLHBQJXIFGTA-UHFFFAOYSA-N 2 1 392.469 4.224 20 0 GIADMP Oc1cccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1Br ZINC000459393093 823181722 /nfs/dbraw/zinc/18/17/22/823181722.db2.gz VIDOQFYMLOERKL-CQSZACIVSA-N 2 1 395.366 4.218 20 0 GIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCCS2 ZINC000188115120 823188587 /nfs/dbraw/zinc/18/85/87/823188587.db2.gz NQRSTQVLLKQAEN-FQEVSTJZSA-N 2 1 398.576 4.288 20 0 GIADMP c1cnn(Cc2ccc(-c3ccccc3C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000459412425 823187346 /nfs/dbraw/zinc/18/73/46/823187346.db2.gz VQIKZRYUNPSOJZ-UHFFFAOYSA-N 2 1 386.543 4.315 20 0 GIADMP C[C@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1ccnc1 ZINC000121507448 823196804 /nfs/dbraw/zinc/19/68/04/823196804.db2.gz BOJDLSDHGUBLDI-BBRMVZONSA-N 2 1 377.464 4.088 20 0 GIADMP CCc1nnc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539936 823215645 /nfs/dbraw/zinc/21/56/45/823215645.db2.gz XCXCUNPFIXWDRY-JOCHJYFZSA-N 2 1 395.595 4.034 20 0 GIADMP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000459729073 823257441 /nfs/dbraw/zinc/25/74/41/823257441.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257449 /nfs/dbraw/zinc/25/74/49/823257449.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257453 /nfs/dbraw/zinc/25/74/53/823257453.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 1 393.550 4.010 20 0 GIADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000572001359 823267923 /nfs/dbraw/zinc/26/79/23/823267923.db2.gz PZPRNRUIBJOKIX-UHFFFAOYSA-N 2 1 389.952 4.100 20 0 GIADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844000 823340449 /nfs/dbraw/zinc/34/04/49/823340449.db2.gz QFOHHJWJAHREIM-OAQYLSRUSA-N 2 1 393.575 4.474 20 0 GIADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000176992474 823344929 /nfs/dbraw/zinc/34/49/29/823344929.db2.gz JFZLMPCJFOERLT-UHFFFAOYSA-N 2 1 388.506 4.264 20 0 GIADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523037 823353728 /nfs/dbraw/zinc/35/37/28/823353728.db2.gz SHUPIOXXBHYJKW-GOSISDBHSA-N 2 1 394.950 4.293 20 0 GIADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523037 823353734 /nfs/dbraw/zinc/35/37/34/823353734.db2.gz SHUPIOXXBHYJKW-GOSISDBHSA-N 2 1 394.950 4.293 20 0 GIADMP CC[C@@H](CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000572540557 823357617 /nfs/dbraw/zinc/35/76/17/823357617.db2.gz GDXNDQSCKMBSEW-NRFANRHFSA-N 2 1 399.623 4.225 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122467250 823358648 /nfs/dbraw/zinc/35/86/48/823358648.db2.gz QCIRORNFRBNCOW-QMMLZNLJSA-N 2 1 387.568 4.247 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000177101234 823371187 /nfs/dbraw/zinc/37/11/87/823371187.db2.gz VVALYCJJCKOILC-HXUWFJFHSA-N 2 1 398.595 4.401 20 0 GIADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646711 823374566 /nfs/dbraw/zinc/37/45/66/823374566.db2.gz HEMSQILPNVJUFJ-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646711 823374571 /nfs/dbraw/zinc/37/45/71/823374571.db2.gz HEMSQILPNVJUFJ-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646711 823374576 /nfs/dbraw/zinc/37/45/76/823374576.db2.gz HEMSQILPNVJUFJ-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646711 823374583 /nfs/dbraw/zinc/37/45/83/823374583.db2.gz HEMSQILPNVJUFJ-XMMPIXPASA-N 2 1 380.532 4.110 20 0 GIADMP COc1nc2ccccc2cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000572702143 823385552 /nfs/dbraw/zinc/38/55/52/823385552.db2.gz LKEHRHQWWXWDKB-UHFFFAOYSA-N 2 1 376.504 4.156 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177214033 823401239 /nfs/dbraw/zinc/40/12/39/823401239.db2.gz YKLLOSPTBFZVSF-UHFFFAOYSA-N 2 1 375.557 4.016 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100718 823447443 /nfs/dbraw/zinc/44/74/43/823447443.db2.gz IOCNIIKOVVATHO-FGSXEWAUSA-N 2 1 377.532 4.275 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100718 823447444 /nfs/dbraw/zinc/44/74/44/823447444.db2.gz IOCNIIKOVVATHO-FGSXEWAUSA-N 2 1 377.532 4.275 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000123043759 823452537 /nfs/dbraw/zinc/45/25/37/823452537.db2.gz CYMWBVVHLFKBFV-QGZVFWFLSA-N 2 1 395.938 4.367 20 0 GIADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475805 823471499 /nfs/dbraw/zinc/47/14/99/823471499.db2.gz YJIACTFZVIZABQ-RDPSFJRHSA-N 2 1 391.559 4.065 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1c(F)cccc1F ZINC000028899398 820369639 /nfs/dbraw/zinc/36/96/39/820369639.db2.gz ZMWFYBUAIIZCTL-MRXNPFEDSA-N 2 1 387.474 4.068 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490201 823474756 /nfs/dbraw/zinc/47/47/56/823474756.db2.gz WCDHSTLKOXJAOQ-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490201 823474759 /nfs/dbraw/zinc/47/47/59/823474759.db2.gz WCDHSTLKOXJAOQ-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@@H](C)O1 ZINC000177506141 823479099 /nfs/dbraw/zinc/47/90/99/823479099.db2.gz VBMJQTQVYUEOGE-IAGOWNOFSA-N 2 1 389.565 4.114 20 0 GIADMP Brc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000030907067 820706160 /nfs/dbraw/zinc/70/61/60/820706160.db2.gz QJDWTHDPDHZQET-AWEZNQCLSA-N 2 1 375.310 4.283 20 0 GIADMP Brc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)cc1 ZINC000030907067 820706165 /nfs/dbraw/zinc/70/61/65/820706165.db2.gz QJDWTHDPDHZQET-AWEZNQCLSA-N 2 1 375.310 4.283 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)CCO2 ZINC000177751387 823520598 /nfs/dbraw/zinc/52/05/98/823520598.db2.gz WLOXUEIXJDVRDH-OTWHNJEPSA-N 2 1 380.532 4.082 20 0 GIADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123566502 823522038 /nfs/dbraw/zinc/52/20/38/823522038.db2.gz GMVDACFQOLAPKF-INIZCTEOSA-N 2 1 390.959 4.429 20 0 GIADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423540 /nfs/dbraw/zinc/42/35/40/821423540.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423543 /nfs/dbraw/zinc/42/35/43/821423543.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423549 /nfs/dbraw/zinc/42/35/49/821423549.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 2 1 386.561 4.252 20 0 GIADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423553 /nfs/dbraw/zinc/42/35/53/821423553.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 2 1 386.561 4.252 20 0 GIADMP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201924 821694199 /nfs/dbraw/zinc/69/41/99/821694199.db2.gz FZZSSHJTJPOQNP-HKUYNNGSSA-N 2 1 391.563 4.429 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000181417291 821814943 /nfs/dbraw/zinc/81/49/43/821814943.db2.gz GGWQRYQEOUVYGC-ZNDGOPKYSA-N 2 1 399.604 4.487 20 0 GIADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740314 821971431 /nfs/dbraw/zinc/97/14/31/821971431.db2.gz LIKDRLCIJXJHGR-PMACEKPBSA-N 2 1 377.573 4.077 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182131049 822109120 /nfs/dbraw/zinc/10/91/20/822109120.db2.gz LTESPTNLAPNYHN-NRFANRHFSA-N 2 1 385.596 4.060 20 0 GIADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182236844 822160535 /nfs/dbraw/zinc/16/05/35/822160535.db2.gz MOFGOMSSNPPWNS-AUSIDOKSSA-N 2 1 382.548 4.283 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-c2ccncc2)c1 ZINC000182264218 822177465 /nfs/dbraw/zinc/17/74/65/822177465.db2.gz ADTJUOUGJVGYAK-CLOONOSVSA-N 2 1 387.527 4.166 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268296 822179851 /nfs/dbraw/zinc/17/98/51/822179851.db2.gz YJSXLWRNFFAYSV-GMAHTHKFSA-N 2 1 392.543 4.179 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978097 822266463 /nfs/dbraw/zinc/26/64/63/822266463.db2.gz HEVGGELNRXQNDT-GOSISDBHSA-N 2 1 381.520 4.334 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000177994127 822274306 /nfs/dbraw/zinc/27/43/06/822274306.db2.gz ZVBJUNWEPANLIL-SFHVURJKSA-N 2 1 388.515 4.154 20 0 GIADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000178002525 822277824 /nfs/dbraw/zinc/27/78/24/822277824.db2.gz MOQABIGRTAKUPS-IBGZPJMESA-N 2 1 386.584 4.257 20 0 GIADMP CC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000178002525 822277831 /nfs/dbraw/zinc/27/78/31/822277831.db2.gz MOQABIGRTAKUPS-IBGZPJMESA-N 2 1 386.584 4.257 20 0 GIADMP CC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000178002525 822277839 /nfs/dbraw/zinc/27/78/39/822277839.db2.gz MOQABIGRTAKUPS-IBGZPJMESA-N 2 1 386.584 4.257 20 0 GIADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569393 822307057 /nfs/dbraw/zinc/30/70/57/822307057.db2.gz VJYGWFWDHQHPDR-LATSOQNDSA-N 2 1 381.486 4.009 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCSc4c(F)cccc43)CC2)oc1C ZINC000178105929 822321932 /nfs/dbraw/zinc/32/19/32/822321932.db2.gz HITQQLPOIUELOF-LJQANCHMSA-N 2 1 389.540 4.469 20 0 GIADMP CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000045462895 822388755 /nfs/dbraw/zinc/38/87/55/822388755.db2.gz LLRQMTFFDODYSM-UHFFFAOYSA-N 2 1 397.567 4.297 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178695226 822403427 /nfs/dbraw/zinc/40/34/27/822403427.db2.gz YQZARMYKCQZGBN-AWEZNQCLSA-N 2 1 376.451 4.014 20 0 GIADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807099 822415273 /nfs/dbraw/zinc/41/52/73/822415273.db2.gz MYEMLSQHLZCABB-UHFFFAOYSA-N 2 1 385.596 4.338 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000183148877 822431447 /nfs/dbraw/zinc/43/14/47/822431447.db2.gz XSEHTMOGNMAPDQ-OAHLLOKOSA-N 2 1 382.895 4.432 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183152982 822432212 /nfs/dbraw/zinc/43/22/12/822432212.db2.gz ALHSHBHMPGMYGH-IRXDYDNUSA-N 2 1 399.498 4.407 20 0 GIADMP C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191241 822438719 /nfs/dbraw/zinc/43/87/19/822438719.db2.gz YGBLUOQBJFFECZ-BBFQFKIHSA-N 2 1 381.564 4.062 20 0 GIADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391573 822476159 /nfs/dbraw/zinc/47/61/59/822476159.db2.gz HALNBGJJXAYPMU-HXUWFJFHSA-N 2 1 394.563 4.264 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672263 822508917 /nfs/dbraw/zinc/50/89/17/822508917.db2.gz WBRPAPGVZCWKJS-ZWKOTPCHSA-N 2 1 376.504 4.475 20 0 GIADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676444 822509837 /nfs/dbraw/zinc/50/98/37/822509837.db2.gz IYDPASDSUUMAQJ-QGZVFWFLSA-N 2 1 394.494 4.019 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682305 822510425 /nfs/dbraw/zinc/51/04/25/822510425.db2.gz QKVDQGOUZDMJSA-HOTGVXAUSA-N 2 1 380.467 4.306 20 0 GIADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183689582 822511867 /nfs/dbraw/zinc/51/18/67/822511867.db2.gz GGJFNYRNSHKPPP-CVEARBPZSA-N 2 1 390.487 4.061 20 0 GIADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180019574 822597841 /nfs/dbraw/zinc/59/78/41/822597841.db2.gz IYQSJJJYWRYAIA-HSZRJFAPSA-N 2 1 378.495 4.034 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464329 822686880 /nfs/dbraw/zinc/68/68/80/822686880.db2.gz NSZUDDLNJLVYQC-WMZOPIPTSA-N 2 1 375.582 4.203 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464329 822686882 /nfs/dbraw/zinc/68/68/82/822686882.db2.gz NSZUDDLNJLVYQC-WMZOPIPTSA-N 2 1 375.582 4.203 20 0 GIADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180468109 822687425 /nfs/dbraw/zinc/68/74/25/822687425.db2.gz JVAWAUILCNOYTI-JOCHJYFZSA-N 2 1 389.946 4.186 20 0 GIADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455922501 822750048 /nfs/dbraw/zinc/75/00/48/822750048.db2.gz MCLVEHQVQCUNLJ-QFIPXVFZSA-N 2 1 380.536 4.009 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000174451957 822791791 /nfs/dbraw/zinc/79/17/91/822791791.db2.gz WUSQCIOUCOVSML-UHFFFAOYSA-N 2 1 386.499 4.387 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2)cc1 ZINC000174599239 822810339 /nfs/dbraw/zinc/81/03/39/822810339.db2.gz RSLNMBWPLWHPAF-FRIKZZABSA-N 2 1 393.531 4.052 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2)cc1 ZINC000174599239 822810342 /nfs/dbraw/zinc/81/03/42/822810342.db2.gz RSLNMBWPLWHPAF-FRIKZZABSA-N 2 1 393.531 4.052 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711734 822813019 /nfs/dbraw/zinc/81/30/19/822813019.db2.gz FNBLVYYLOIQXLA-JENIJYKNSA-N 2 1 391.987 4.102 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711734 822813022 /nfs/dbraw/zinc/81/30/22/822813022.db2.gz FNBLVYYLOIQXLA-JENIJYKNSA-N 2 1 391.987 4.102 20 0 GIADMP C[C@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768775 822819426 /nfs/dbraw/zinc/81/94/26/822819426.db2.gz QIMHUDGQHOKTOY-JKSUJKDBSA-N 2 1 381.358 4.071 20 0 GIADMP C[C@H](CC[NH+]1CC[C@@H](c2cccnc2)C1)CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000569336968 822908796 /nfs/dbraw/zinc/90/87/96/822908796.db2.gz VLOASOAQWKBGOA-GCORVILKSA-N 2 1 378.564 4.172 20 0 GIADMP C[C@@H](CC[NH+]1CC[C@H](c2cccnc2)C1)CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569336968 822908801 /nfs/dbraw/zinc/90/88/01/822908801.db2.gz VLOASOAQWKBGOA-GCORVILKSA-N 2 1 378.564 4.172 20 0 GIADMP C[C@@H](CC[NH+]1CC[C@H](c2cccnc2)C1)CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569336968 822908805 /nfs/dbraw/zinc/90/88/05/822908805.db2.gz VLOASOAQWKBGOA-GCORVILKSA-N 2 1 378.564 4.172 20 0 GIADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386524 822914410 /nfs/dbraw/zinc/91/44/10/822914410.db2.gz HXFXBISIUCEGGO-ISKFKSNPSA-N 2 1 394.559 4.169 20 0 GIADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386524 822914412 /nfs/dbraw/zinc/91/44/12/822914412.db2.gz HXFXBISIUCEGGO-ISKFKSNPSA-N 2 1 394.559 4.169 20 0 GIADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000186678909 822935699 /nfs/dbraw/zinc/93/56/99/822935699.db2.gz GUAOGKJBNGIOOP-INIZCTEOSA-N 2 1 397.966 4.100 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1)C1CC1 ZINC000458283922 822978127 /nfs/dbraw/zinc/97/81/27/822978127.db2.gz JCXNNSZHKFYFCE-UHFFFAOYSA-N 2 1 399.510 4.003 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186949586 822985102 /nfs/dbraw/zinc/98/51/02/822985102.db2.gz IJZGEAHGHZCXGQ-AWEZNQCLSA-N 2 1 392.316 4.430 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000187206939 823024809 /nfs/dbraw/zinc/02/48/09/823024809.db2.gz NMAQMCVCWIACFY-UHFFFAOYSA-N 2 1 377.326 4.199 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977638 823557453 /nfs/dbraw/zinc/55/74/53/823557453.db2.gz CQPVOEOYVVJKHY-LJQANCHMSA-N 2 1 392.547 4.243 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000123989477 823558213 /nfs/dbraw/zinc/55/82/13/823558213.db2.gz CYPIUGZKPZIZMZ-UHFFFAOYSA-N 2 1 377.532 4.061 20 0 GIADMP CC(CC[NH+](C)C1CC[NH+](C(C)C)CC1)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000411230209 823559032 /nfs/dbraw/zinc/55/90/32/823559032.db2.gz UZAOUFMYUZCPET-UHFFFAOYSA-N 4 1 394.692 4.012 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411424231 823572779 /nfs/dbraw/zinc/57/27/79/823572779.db2.gz LDYWOPWWGPQKDZ-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514425 823583012 /nfs/dbraw/zinc/58/30/12/823583012.db2.gz GBQQNKZWTJPOLB-DOTOQJQBSA-N 2 1 388.943 4.175 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518421 823583822 /nfs/dbraw/zinc/58/38/22/823583822.db2.gz PGROBFCFGCTJJD-JKSUJKDBSA-N 2 1 397.485 4.277 20 0 GIADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCN(CC(F)(F)F)CC1 ZINC000411810571 823607034 /nfs/dbraw/zinc/60/70/34/823607034.db2.gz QUVFTMCPJGVCJY-UHFFFAOYSA-N 2 1 383.502 4.131 20 0 GIADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000191070218 823644992 /nfs/dbraw/zinc/64/49/92/823644992.db2.gz VODQUEROUZREPL-OAQYLSRUSA-N 2 1 392.465 4.260 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000191280188 823666777 /nfs/dbraw/zinc/66/67/77/823666777.db2.gz FRFKYPAZNWUOJL-MRXNPFEDSA-N 2 1 389.613 4.354 20 0 GIADMP CC(C)N(C)c1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000191438818 823685285 /nfs/dbraw/zinc/68/52/85/823685285.db2.gz JPBQPPAWEZKUBW-UHFFFAOYSA-N 2 1 395.595 4.316 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473150 823689000 /nfs/dbraw/zinc/68/90/00/823689000.db2.gz OBEBPEVYRFSXIT-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473150 823689002 /nfs/dbraw/zinc/68/90/02/823689002.db2.gz OBEBPEVYRFSXIT-MRXNPFEDSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498291 823691813 /nfs/dbraw/zinc/69/18/13/823691813.db2.gz OFGLLYDEBOIMGN-QGZVFWFLSA-N 2 1 390.959 4.455 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498291 823691814 /nfs/dbraw/zinc/69/18/14/823691814.db2.gz OFGLLYDEBOIMGN-QGZVFWFLSA-N 2 1 390.959 4.455 20 0 GIADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163957346 823766007 /nfs/dbraw/zinc/76/60/07/823766007.db2.gz MSFUMWOQMSFACN-NRFANRHFSA-N 2 1 388.577 4.479 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163970798 823767418 /nfs/dbraw/zinc/76/74/18/823767418.db2.gz QNASUROEAHPCDM-LJQANCHMSA-N 2 1 398.547 4.036 20 0 GIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000163976713 823768002 /nfs/dbraw/zinc/76/80/02/823768002.db2.gz FYKIISWDHYCUIE-GOSISDBHSA-N 2 1 386.536 4.182 20 0 GIADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461982759 823782350 /nfs/dbraw/zinc/78/23/50/823782350.db2.gz HMLTXCWMSJNUAB-XMMPIXPASA-N 2 1 393.575 4.265 20 0 GIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000191863845 823798563 /nfs/dbraw/zinc/79/85/63/823798563.db2.gz LJXXNDPIVZSJNA-URXFXBBRSA-N 2 1 382.523 4.200 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000164602695 823811833 /nfs/dbraw/zinc/81/18/33/823811833.db2.gz NPHPNVRNKLNYRB-XXBNENTESA-N 2 1 379.548 4.015 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000126224323 823815558 /nfs/dbraw/zinc/81/55/58/823815558.db2.gz ZMJGGJCDJSKZJI-AXHZCLLHSA-N 2 1 389.547 4.137 20 0 GIADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958444 823826747 /nfs/dbraw/zinc/82/67/47/823826747.db2.gz WCYUYICBMSBLSH-LPHOPBHVSA-N 2 1 390.622 4.155 20 0 GIADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958444 823826753 /nfs/dbraw/zinc/82/67/53/823826753.db2.gz WCYUYICBMSBLSH-LPHOPBHVSA-N 2 1 390.622 4.155 20 0 GIADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000462107858 823829561 /nfs/dbraw/zinc/82/95/61/823829561.db2.gz BGGNWVJHLGLJDH-UHFFFAOYSA-N 2 1 388.474 4.083 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561580 823853889 /nfs/dbraw/zinc/85/38/89/823853889.db2.gz WAUMJAWNJRGPNS-FHAGJXEFSA-N 2 1 388.559 4.417 20 0 GIADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000167163506 823887749 /nfs/dbraw/zinc/88/77/49/823887749.db2.gz BNTWJTPVHNWFKB-FQEVSTJZSA-N 2 1 386.580 4.297 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1F ZINC000168163977 823900830 /nfs/dbraw/zinc/90/08/30/823900830.db2.gz BJQLASYDAHRAJC-UHFFFAOYSA-N 2 1 379.357 4.350 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081955 823904423 /nfs/dbraw/zinc/90/44/23/823904423.db2.gz FHPGKWXASBPRLK-OALUTQOASA-N 2 1 377.573 4.075 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846789 823965471 /nfs/dbraw/zinc/96/54/71/823965471.db2.gz WTUDDAQIRSQSSA-LEHBWIKQSA-N 2 1 376.591 4.048 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846789 823965477 /nfs/dbraw/zinc/96/54/77/823965477.db2.gz WTUDDAQIRSQSSA-LEHBWIKQSA-N 2 1 376.591 4.048 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879578 823972503 /nfs/dbraw/zinc/97/25/03/823972503.db2.gz OHLGKQPFVXPZNT-OALUTQOASA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879578 823972512 /nfs/dbraw/zinc/97/25/12/823972512.db2.gz OHLGKQPFVXPZNT-OALUTQOASA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822585 824003929 /nfs/dbraw/zinc/00/39/29/824003929.db2.gz PWKNLKVEKJHXHU-WMZHIEFXSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822585 824003935 /nfs/dbraw/zinc/00/39/35/824003935.db2.gz PWKNLKVEKJHXHU-WMZHIEFXSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822585 824003944 /nfs/dbraw/zinc/00/39/44/824003944.db2.gz PWKNLKVEKJHXHU-WMZHIEFXSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822585 824003946 /nfs/dbraw/zinc/00/39/46/824003946.db2.gz PWKNLKVEKJHXHU-WMZHIEFXSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822583 824004255 /nfs/dbraw/zinc/00/42/55/824004255.db2.gz PWKNLKVEKJHXHU-AUSIDOKSSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822583 824004260 /nfs/dbraw/zinc/00/42/60/824004260.db2.gz PWKNLKVEKJHXHU-AUSIDOKSSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822583 824004267 /nfs/dbraw/zinc/00/42/67/824004267.db2.gz PWKNLKVEKJHXHU-AUSIDOKSSA-N 2 1 389.543 4.023 20 0 GIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822583 824004274 /nfs/dbraw/zinc/00/42/74/824004274.db2.gz PWKNLKVEKJHXHU-AUSIDOKSSA-N 2 1 389.543 4.023 20 0 GIADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1c(F)cccc1Cl ZINC000414790069 824036525 /nfs/dbraw/zinc/03/65/25/824036525.db2.gz ORSKEXIIWNIMFT-UHFFFAOYSA-N 2 1 392.902 4.298 20 0 GIADMP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000570631130 823064462 /nfs/dbraw/zinc/06/44/62/823064462.db2.gz WIWIUAZJITYCGP-SFHVURJKSA-N 2 1 397.538 4.484 20 0 GIADMP C[NH+](C)CCOc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000570785292 823087173 /nfs/dbraw/zinc/08/71/73/823087173.db2.gz JVHJRBVAIGUGMZ-WBDAEOGXSA-N 2 1 379.548 4.235 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825597 823092360 /nfs/dbraw/zinc/09/23/60/823092360.db2.gz VEELZWQLTKTBNB-DEOSSOPVSA-N 2 1 397.607 4.163 20 0 GIADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1cccs1 ZINC000570885255 823102151 /nfs/dbraw/zinc/10/21/51/823102151.db2.gz ASPIGJJDXRPXCU-UHFFFAOYSA-N 2 1 385.533 4.363 20 0 GIADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1cccs1 ZINC000570885255 823102153 /nfs/dbraw/zinc/10/21/53/823102153.db2.gz ASPIGJJDXRPXCU-UHFFFAOYSA-N 2 1 385.533 4.363 20 0 GIADMP CCC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000458960969 823111261 /nfs/dbraw/zinc/11/12/61/823111261.db2.gz HHMFSKLEEJQOPZ-OAQYLSRUSA-N 2 1 394.648 4.039 20 0 GIADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571136774 823139319 /nfs/dbraw/zinc/13/93/19/823139319.db2.gz DOTBUAPCPMBSEC-LZYPDUGYSA-N 2 1 388.555 4.243 20 0 GIADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571136775 823139363 /nfs/dbraw/zinc/13/93/63/823139363.db2.gz DOTBUAPCPMBSEC-XZZVZQAVSA-N 2 1 388.555 4.243 20 0 GIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000571247080 823154983 /nfs/dbraw/zinc/15/49/83/823154983.db2.gz SMMIMYVSUNYARC-JOCHJYFZSA-N 2 1 392.591 4.389 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000459316657 823160387 /nfs/dbraw/zinc/16/03/87/823160387.db2.gz AQBFSYKOPUVBTK-INIZCTEOSA-N 2 1 381.549 4.219 20 0 GIADMP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307930 823163321 /nfs/dbraw/zinc/16/33/21/823163321.db2.gz VCILBDYMBUNPBW-ZJOQZMJJSA-N 2 1 376.610 4.099 20 0 GIADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163628 /nfs/dbraw/zinc/16/36/28/823163628.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 2 1 393.579 4.224 20 0 GIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163632 /nfs/dbraw/zinc/16/36/32/823163632.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 2 1 393.579 4.224 20 0 GIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163634 /nfs/dbraw/zinc/16/36/34/823163634.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 2 1 393.579 4.224 20 0 GIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163639 /nfs/dbraw/zinc/16/36/39/823163639.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 2 1 393.579 4.224 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459378975 823177539 /nfs/dbraw/zinc/17/75/39/823177539.db2.gz SANACBSPGMPRLJ-FQEVSTJZSA-N 3 1 378.564 4.072 20 0 GIADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121662729 823225135 /nfs/dbraw/zinc/22/51/35/823225135.db2.gz UXESHFFBUUAQMZ-OAHLLOKOSA-N 2 1 376.932 4.039 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3C[C@H]3c3ccccc3)CC2)c1C ZINC000571924223 823254971 /nfs/dbraw/zinc/25/49/71/823254971.db2.gz FMSOJGLNSZNPBI-GGAORHGYSA-N 2 1 393.575 4.407 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3C[C@H]3c3ccccc3)CC2)c1C ZINC000571924223 823254973 /nfs/dbraw/zinc/25/49/73/823254973.db2.gz FMSOJGLNSZNPBI-GGAORHGYSA-N 2 1 393.575 4.407 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132875 823288322 /nfs/dbraw/zinc/28/83/22/823288322.db2.gz QEPRDDVSIVUXPB-DHIUTWEWSA-N 2 1 397.607 4.025 20 0 GIADMP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000572278982 823312224 /nfs/dbraw/zinc/31/22/24/823312224.db2.gz MKRDFQRTINZIOX-GOSISDBHSA-N 2 1 379.907 4.446 20 0 GIADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122147017 823312934 /nfs/dbraw/zinc/31/29/34/823312934.db2.gz JVJSPTDUMFEFFW-LJQANCHMSA-N 2 1 382.552 4.309 20 0 GIADMP Clc1ccccc1-c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000057888783 823345378 /nfs/dbraw/zinc/34/53/78/823345378.db2.gz KJMPPTCHAGZFIJ-UHFFFAOYSA-N 2 1 388.943 4.478 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522021 823353624 /nfs/dbraw/zinc/35/36/24/823353624.db2.gz ZMPBNXXQSKTZND-HSZRJFAPSA-N 2 1 394.559 4.389 20 0 GIADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522021 823353632 /nfs/dbraw/zinc/35/36/32/823353632.db2.gz ZMPBNXXQSKTZND-HSZRJFAPSA-N 2 1 394.559 4.389 20 0 GIADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671144 823379678 /nfs/dbraw/zinc/37/96/78/823379678.db2.gz ROXPQGCJGQDXPQ-VQIMIIECSA-N 2 1 390.474 4.297 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000058424830 823389628 /nfs/dbraw/zinc/38/96/28/823389628.db2.gz GGHZMKNBRQCOPD-UHFFFAOYSA-N 2 1 397.567 4.393 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000058424830 823389633 /nfs/dbraw/zinc/38/96/33/823389633.db2.gz GGHZMKNBRQCOPD-UHFFFAOYSA-N 2 1 397.567 4.393 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2ccnc12 ZINC000572815139 823404659 /nfs/dbraw/zinc/40/46/59/823404659.db2.gz HGSFTXNIBLOGDZ-WIYYLYMNSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000572815139 823404661 /nfs/dbraw/zinc/40/46/61/823404661.db2.gz HGSFTXNIBLOGDZ-WIYYLYMNSA-N 2 1 391.519 4.160 20 0 GIADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000572815139 823404663 /nfs/dbraw/zinc/40/46/63/823404663.db2.gz HGSFTXNIBLOGDZ-WIYYLYMNSA-N 2 1 391.519 4.160 20 0 GIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177345811 823441273 /nfs/dbraw/zinc/44/12/73/823441273.db2.gz JTEAWXMSZPVWQU-GOSISDBHSA-N 2 1 387.568 4.201 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000026364700 820089493 /nfs/dbraw/zinc/08/94/93/820089493.db2.gz OOVZTRTWZNJHFF-MSOLQXFVSA-N 2 1 399.966 4.160 20 0 GIADMP Brc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000030907069 820706221 /nfs/dbraw/zinc/70/62/21/820706221.db2.gz QJDWTHDPDHZQET-CQSZACIVSA-N 2 1 375.310 4.283 20 0 GIADMP Brc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)cc1 ZINC000030907069 820706226 /nfs/dbraw/zinc/70/62/26/820706226.db2.gz QJDWTHDPDHZQET-CQSZACIVSA-N 2 1 375.310 4.283 20 0 GIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000030907099 820706274 /nfs/dbraw/zinc/70/62/74/820706274.db2.gz CJZRJZKYMVJNPC-GOSISDBHSA-N 2 1 376.504 4.015 20 0 GIADMP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030907155 820706682 /nfs/dbraw/zinc/70/66/82/820706682.db2.gz ARWSCLQDWVQIKK-LJQANCHMSA-N 2 1 392.572 4.234 20 0 GIADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123453647 823510503 /nfs/dbraw/zinc/51/05/03/823510503.db2.gz IYCMDLXPPNHJIL-LZQZEXGQSA-N 2 1 399.501 4.029 20 0 GIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008091 823524918 /nfs/dbraw/zinc/52/49/18/823524918.db2.gz XOIOQFFAFMQCEZ-DENIHFKCSA-N 2 1 383.536 4.101 20 0 GIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008091 823524924 /nfs/dbraw/zinc/52/49/24/823524924.db2.gz XOIOQFFAFMQCEZ-DENIHFKCSA-N 2 1 383.536 4.101 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177855478 823536744 /nfs/dbraw/zinc/53/67/44/823536744.db2.gz TXFXOYANTOVRJT-SFHVURJKSA-N 2 1 388.515 4.136 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000042207489 821284235 /nfs/dbraw/zinc/28/42/35/821284235.db2.gz GXBPUZQJHDJJAC-UHFFFAOYSA-N 2 1 389.547 4.144 20 0 GIADMP COc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2c1 ZINC000180644046 821379727 /nfs/dbraw/zinc/37/97/27/821379727.db2.gz NHCCRYPLBNWPEF-UUOWRZLLSA-N 2 1 390.527 4.266 20 0 GIADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000180985051 821574810 /nfs/dbraw/zinc/57/48/10/821574810.db2.gz STFNICSUKMPJFD-QFIPXVFZSA-N 2 1 376.500 4.193 20 0 GIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000180985051 821574818 /nfs/dbraw/zinc/57/48/18/821574818.db2.gz STFNICSUKMPJFD-QFIPXVFZSA-N 2 1 376.500 4.193 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1 ZINC000181002548 821586314 /nfs/dbraw/zinc/58/63/14/821586314.db2.gz CNHNEGWNIPIQKH-OAHLLOKOSA-N 2 1 377.467 4.100 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000181417311 821814811 /nfs/dbraw/zinc/81/48/11/821814811.db2.gz GGWQRYQEOUVYGC-BRIRTLKKSA-N 2 1 399.604 4.487 20 0 GIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3ccccc3s2)CC1 ZINC000181627325 821911310 /nfs/dbraw/zinc/91/13/10/821911310.db2.gz PUHGNDPDXNJFCA-MRXNPFEDSA-N 2 1 398.551 4.428 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000181737008 821969545 /nfs/dbraw/zinc/96/95/45/821969545.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000181737008 821969555 /nfs/dbraw/zinc/96/95/55/821969555.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181737008 821969562 /nfs/dbraw/zinc/96/95/62/821969562.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181737008 821969569 /nfs/dbraw/zinc/96/95/69/821969569.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 2 1 399.623 4.256 20 0 GIADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182236864 822160306 /nfs/dbraw/zinc/16/03/06/822160306.db2.gz MOFGOMSSNPPWNS-WMZHIEFXSA-N 2 1 382.548 4.283 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238970 822161875 /nfs/dbraw/zinc/16/18/75/822161875.db2.gz OYAPLSBAMUZKGM-OXQOHEQNSA-N 2 1 381.545 4.104 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248641 822167355 /nfs/dbraw/zinc/16/73/55/822167355.db2.gz MQDYODXHAQGREY-HNAYVOBHSA-N 2 1 376.903 4.287 20 0 GIADMP COc1ccccc1[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263763 822176836 /nfs/dbraw/zinc/17/68/36/822176836.db2.gz DYKQASOVTFYCAH-WIOPSUGQSA-N 2 1 394.559 4.283 20 0 GIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267923 822179028 /nfs/dbraw/zinc/17/90/28/822179028.db2.gz ORJDKRTZRTYEAT-ICSRJNTNSA-N 2 1 390.474 4.096 20 0 GIADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182272232 822181348 /nfs/dbraw/zinc/18/13/48/822181348.db2.gz YPIKTYKMMCWCHC-APWZRJJASA-N 2 1 390.474 4.014 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979155 822267312 /nfs/dbraw/zinc/26/73/12/822267312.db2.gz DOXSGARMGATSLK-QGZVFWFLSA-N 2 1 383.536 4.345 20 0 GIADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178520676 822387346 /nfs/dbraw/zinc/38/73/46/822387346.db2.gz HMCDQCMBRVECEE-LBPRGKRZSA-N 2 1 398.391 4.222 20 0 GIADMP C[NH+](C)CC1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000178769527 822408547 /nfs/dbraw/zinc/40/85/47/822408547.db2.gz UIRDWLYUPXCDTE-UHFFFAOYSA-N 2 1 393.575 4.169 20 0 GIADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156854 822432732 /nfs/dbraw/zinc/43/27/32/822432732.db2.gz LQZNKXJMEPLULT-DLBZAZTESA-N 2 1 392.503 4.257 20 0 GIADMP COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185315 822437456 /nfs/dbraw/zinc/43/74/56/822437456.db2.gz HKWCPJNUYKKQCL-BRWVUGGUSA-N 2 1 376.541 4.016 20 0 GIADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183368858 822464561 /nfs/dbraw/zinc/46/45/61/822464561.db2.gz SWYGXKIECXFCDD-HSZRJFAPSA-N 2 1 379.479 4.040 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392403 822476069 /nfs/dbraw/zinc/47/60/69/822476069.db2.gz FWAUYRSMKBMEAV-FQEVSTJZSA-N 2 1 394.563 4.264 20 0 GIADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454520492 822490487 /nfs/dbraw/zinc/49/04/87/822490487.db2.gz XLNVFXALCXUIFR-HXUWFJFHSA-N 2 1 383.540 4.003 20 0 GIADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454520492 822490490 /nfs/dbraw/zinc/49/04/90/822490490.db2.gz XLNVFXALCXUIFR-HXUWFJFHSA-N 2 1 383.540 4.003 20 0 GIADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1OC(F)F ZINC000179511327 822493674 /nfs/dbraw/zinc/49/36/74/822493674.db2.gz JAHRKBSBRRQKCP-ZDUSSCGKSA-N 2 1 399.869 4.128 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756205 822544279 /nfs/dbraw/zinc/54/42/79/822544279.db2.gz UWAFQTMVWXBYJP-YKSBVNFPSA-N 2 1 378.564 4.390 20 0 GIADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953496 822553230 /nfs/dbraw/zinc/55/32/30/822553230.db2.gz PCZWSQRVGWZTFG-SFHVURJKSA-N 2 1 392.609 4.176 20 0 GIADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180060950 822606503 /nfs/dbraw/zinc/60/65/03/822606503.db2.gz IBVMSTAMIWEODM-JXFKEZNVSA-N 2 1 375.520 4.168 20 0 GIADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180060950 822606505 /nfs/dbraw/zinc/60/65/05/822606505.db2.gz IBVMSTAMIWEODM-JXFKEZNVSA-N 2 1 375.520 4.168 20 0 GIADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000047969927 822623229 /nfs/dbraw/zinc/62/32/29/822623229.db2.gz CHDVLMHDDFLTJL-UHFFFAOYSA-N 2 1 394.441 4.063 20 0 GIADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180153454 822628245 /nfs/dbraw/zinc/62/82/45/822628245.db2.gz OHXRUEVIEQTNRQ-IHWFROFDSA-N 2 1 387.568 4.075 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000048084190 822630548 /nfs/dbraw/zinc/63/05/48/822630548.db2.gz FVYMBJQFWMBRBL-IBGZPJMESA-N 2 1 397.567 4.298 20 0 GIADMP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000180438221 822681961 /nfs/dbraw/zinc/68/19/61/822681961.db2.gz OOOSFXLXHTUYNT-HTAPYJJXSA-N 2 1 389.946 4.042 20 0 GIADMP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000455835286 822733975 /nfs/dbraw/zinc/73/39/75/822733975.db2.gz ACFMCGUMDHSOIZ-MQNAVGNWSA-N 2 1 392.547 4.020 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455875173 822740931 /nfs/dbraw/zinc/74/09/31/822740931.db2.gz APUKJWQEQAARRY-QHCPKHFHSA-N 2 1 394.563 4.397 20 0 GIADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1OC ZINC000174450417 822791406 /nfs/dbraw/zinc/79/14/06/822791406.db2.gz QZVPXNRXTWUAAD-UHFFFAOYSA-N 2 1 380.488 4.219 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516974 822799969 /nfs/dbraw/zinc/79/99/69/822799969.db2.gz BJGZHSHSGRNPJF-UWJYYQICSA-N 2 1 378.495 4.251 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674168 822808872 /nfs/dbraw/zinc/80/88/72/822808872.db2.gz MPUZWJCWVAVYNI-LSDHHAIUSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674168 822808875 /nfs/dbraw/zinc/80/88/75/822808875.db2.gz MPUZWJCWVAVYNI-LSDHHAIUSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751766 822817632 /nfs/dbraw/zinc/81/76/32/822817632.db2.gz PFBSRMFQWRTWGM-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751766 822817635 /nfs/dbraw/zinc/81/76/35/822817635.db2.gz PFBSRMFQWRTWGM-KBPBESRZSA-N 2 1 384.351 4.175 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760676 822818571 /nfs/dbraw/zinc/81/85/71/822818571.db2.gz SWTVPMWYHVDQRO-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760676 822818574 /nfs/dbraw/zinc/81/85/74/822818574.db2.gz SWTVPMWYHVDQRO-IXDOHACOSA-N 2 1 377.960 4.218 20 0 GIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861591 /nfs/dbraw/zinc/86/15/91/822861591.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 2 1 395.547 4.471 20 0 GIADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861592 /nfs/dbraw/zinc/86/15/92/822861592.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 2 1 395.547 4.471 20 0 GIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861593 /nfs/dbraw/zinc/86/15/93/822861593.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 2 1 395.547 4.471 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017939 822870286 /nfs/dbraw/zinc/87/02/86/822870286.db2.gz YLOANGOGKQIVFM-OAQYLSRUSA-N 2 1 379.633 4.150 20 0 GIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569127929 822882196 /nfs/dbraw/zinc/88/21/96/822882196.db2.gz JESQGKDNRIIOQE-SFHVURJKSA-N 2 1 387.518 4.310 20 0 GIADMP CC1(C)OCc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372441 822883624 /nfs/dbraw/zinc/88/36/24/822883624.db2.gz SHRDBEDQHUAWEC-GOSISDBHSA-N 2 1 386.561 4.395 20 0 GIADMP CC1(C)OCc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372441 822883630 /nfs/dbraw/zinc/88/36/30/822883630.db2.gz SHRDBEDQHUAWEC-GOSISDBHSA-N 2 1 386.561 4.395 20 0 GIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393434 822887070 /nfs/dbraw/zinc/88/70/70/822887070.db2.gz VIQDSFCZZKJYBP-GCJKJVERSA-N 2 1 380.532 4.474 20 0 GIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393394 822887145 /nfs/dbraw/zinc/88/71/45/822887145.db2.gz VIQDSFCZZKJYBP-XMSQKQJNSA-N 2 1 380.532 4.474 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000569451755 822925110 /nfs/dbraw/zinc/92/51/10/822925110.db2.gz CDWGPJRUISJFPL-CVDCTZTESA-N 2 1 379.548 4.157 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836624 822974216 /nfs/dbraw/zinc/97/42/16/822974216.db2.gz XHTVQZRZWKWBML-PMACEKPBSA-N 2 1 389.547 4.493 20 0 GIADMP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968668 822990925 /nfs/dbraw/zinc/99/09/25/822990925.db2.gz JVZXNQTWSQRKHP-LJQANCHMSA-N 2 1 385.577 4.194 20 0 GIADMP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968668 822990927 /nfs/dbraw/zinc/99/09/27/822990927.db2.gz JVZXNQTWSQRKHP-LJQANCHMSA-N 2 1 385.577 4.194 20 0 GIADMP c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411301695 823563262 /nfs/dbraw/zinc/56/32/62/823563262.db2.gz ZKXNTHNJKPACTE-QFIPXVFZSA-N 2 1 389.547 4.095 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124138392 823571114 /nfs/dbraw/zinc/57/11/14/823571114.db2.gz CQBLNMCZYBPAGR-JOCHJYFZSA-N 2 1 391.494 4.492 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518418 823583720 /nfs/dbraw/zinc/58/37/20/823583720.db2.gz PGROBFCFGCTJJD-CVEARBPZSA-N 2 1 397.485 4.277 20 0 GIADMP CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000190585634 823588592 /nfs/dbraw/zinc/58/85/92/823588592.db2.gz XOUZVKJTDNEWTP-UHFFFAOYSA-N 2 1 380.536 4.087 20 0 GIADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597787 823589845 /nfs/dbraw/zinc/58/98/45/823589845.db2.gz HXFDVKIOWVISMT-KRWDZBQOSA-N 2 1 387.387 4.052 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000411631309 823592595 /nfs/dbraw/zinc/59/25/95/823592595.db2.gz MFMUZUGLMMNLRZ-UHFFFAOYSA-N 2 1 378.520 4.340 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000411631309 823592599 /nfs/dbraw/zinc/59/25/99/823592599.db2.gz MFMUZUGLMMNLRZ-UHFFFAOYSA-N 2 1 378.520 4.340 20 0 GIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116330 823627640 /nfs/dbraw/zinc/62/76/40/823627640.db2.gz KHSYJXWFDXJKCF-JTHBVZDNSA-N 2 1 397.607 4.399 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Br)o3)CC2)cs1 ZINC000190999076 823636639 /nfs/dbraw/zinc/63/66/39/823636639.db2.gz NEOHDGABBXOCRG-UHFFFAOYSA-N 2 1 398.370 4.063 20 0 GIADMP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccn2)cc1 ZINC000124954845 823640041 /nfs/dbraw/zinc/64/00/41/823640041.db2.gz YIAMQRMQCFCQSV-UHFFFAOYSA-N 2 1 381.520 4.237 20 0 GIADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CC[N@H+](C(C)C)C4)cc3)nc12 ZINC000063319228 823661910 /nfs/dbraw/zinc/66/19/10/823661910.db2.gz CRMDPQJIALCBNE-NRFANRHFSA-N 2 1 392.547 4.042 20 0 GIADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745244 823693147 /nfs/dbraw/zinc/69/31/47/823693147.db2.gz BPPDXWDUPBPQQD-DEOSSOPVSA-N 2 1 397.607 4.013 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000163686558 823736987 /nfs/dbraw/zinc/73/69/87/823736987.db2.gz NFYCOILDUSPOJS-LJQANCHMSA-N 2 1 398.547 4.342 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191693623 823737438 /nfs/dbraw/zinc/73/74/38/823737438.db2.gz ZQBKHNVRPXYFJV-XMMPIXPASA-N 2 1 383.555 4.117 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1)c1cccc(F)c1 ZINC000126088384 823783684 /nfs/dbraw/zinc/78/36/84/823783684.db2.gz SSYQJXCLYGEQRR-UHFFFAOYSA-N 2 1 381.495 4.042 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164708769 823816636 /nfs/dbraw/zinc/81/66/36/823816636.db2.gz ZHZQROLCNFAZSO-KRWDZBQOSA-N 2 1 389.565 4.039 20 0 GIADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297110 823842790 /nfs/dbraw/zinc/84/27/90/823842790.db2.gz KXPAZUWKPQIKQG-FPOVZHCZSA-N 2 1 382.548 4.227 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324864 823843952 /nfs/dbraw/zinc/84/39/52/823843952.db2.gz ZNQFBVCIPIZPSW-PZJWPPBQSA-N 2 1 382.548 4.057 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669364 823880616 /nfs/dbraw/zinc/88/06/16/823880616.db2.gz NVNNYOQCMKQJFD-IAGOWNOFSA-N 2 1 386.503 4.482 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076203 823903013 /nfs/dbraw/zinc/90/30/13/823903013.db2.gz YBKVNKFREURFER-IFMALSPDSA-N 2 1 378.004 4.374 20 0 GIADMP COCCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000414197373 823925843 /nfs/dbraw/zinc/92/58/43/823925843.db2.gz WIHLDEZCQYYGER-APWZRJJASA-N 2 1 383.374 4.238 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194554 823925956 /nfs/dbraw/zinc/92/59/56/823925956.db2.gz WIPOQHJGLLTSHH-AKVSHQRBSA-N 2 1 398.572 4.106 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194554 823925961 /nfs/dbraw/zinc/92/59/61/823925961.db2.gz WIPOQHJGLLTSHH-AKVSHQRBSA-N 2 1 398.572 4.106 20 0 GIADMP COCCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000414197376 823926693 /nfs/dbraw/zinc/92/66/93/823926693.db2.gz WIHLDEZCQYYGER-VQIMIIECSA-N 2 1 383.374 4.238 20 0 GIADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199013 823926978 /nfs/dbraw/zinc/92/69/78/823926978.db2.gz XCAYNXWRKGEHOX-UXHICEINSA-N 2 1 392.547 4.296 20 0 GIADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180429 823932897 /nfs/dbraw/zinc/93/28/97/823932897.db2.gz VGYAFLMFMQNKCY-GMAHTHKFSA-N 2 1 389.543 4.271 20 0 GIADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180429 823932906 /nfs/dbraw/zinc/93/29/06/823932906.db2.gz VGYAFLMFMQNKCY-GMAHTHKFSA-N 2 1 389.543 4.271 20 0 GIADMP Cc1ccc(C[NH+]2CCC3(CCN(c4[nH+]cnc5c4ccn5C)CC3)CC2)cc1 ZINC001164760444 721042811 /nfs/dbraw/zinc/04/28/11/721042811.db2.gz UVGTWGOONPQBAA-UHFFFAOYSA-N 2 1 389.547 4.159 20 0 GIADMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc2[nH]ccc21 ZINC001165026774 721821172 /nfs/dbraw/zinc/82/11/72/721821172.db2.gz QEPLTZAUTKVIKN-XJABCFGWSA-N 2 1 375.520 4.003 20 0 GIADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573057 823056146 /nfs/dbraw/zinc/05/61/46/823056146.db2.gz FZDLVXRMCXOKNV-QFIPXVFZSA-N 2 1 375.516 4.143 20 0 GIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573057 823056149 /nfs/dbraw/zinc/05/61/49/823056149.db2.gz FZDLVXRMCXOKNV-QFIPXVFZSA-N 2 1 375.516 4.143 20 0 GIADMP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000570592686 823059211 /nfs/dbraw/zinc/05/92/11/823059211.db2.gz GJTJRNOGCUZGPZ-FCJDFRRUSA-N 2 1 384.951 4.264 20 0 GIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792171 823064966 /nfs/dbraw/zinc/06/49/66/823064966.db2.gz KIYWUWMQXMEPCK-LJQANCHMSA-N 2 1 380.561 4.091 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845167 823094627 /nfs/dbraw/zinc/09/46/27/823094627.db2.gz GJTJULNBVUNRAB-ICSRJNTNSA-N 2 1 397.966 4.241 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845167 823094631 /nfs/dbraw/zinc/09/46/31/823094631.db2.gz GJTJULNBVUNRAB-ICSRJNTNSA-N 2 1 397.966 4.241 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849073 823095381 /nfs/dbraw/zinc/09/53/81/823095381.db2.gz SIALWAIVVQDIGL-DEOSSOPVSA-N 2 1 396.575 4.240 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849073 823095386 /nfs/dbraw/zinc/09/53/86/823095386.db2.gz SIALWAIVVQDIGL-DEOSSOPVSA-N 2 1 396.575 4.240 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000121088371 823116011 /nfs/dbraw/zinc/11/60/11/823116011.db2.gz BFCVMINYARGWGB-UHFFFAOYSA-N 2 1 389.547 4.287 20 0 GIADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225793 823142190 /nfs/dbraw/zinc/14/21/90/823142190.db2.gz TZNCJEDZZWGSQP-XXBNENTESA-N 2 1 394.563 4.265 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201663 823147625 /nfs/dbraw/zinc/14/76/25/823147625.db2.gz PZEAPTCWYRXJGU-SFHVURJKSA-N 2 1 387.325 4.493 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459371526 823175093 /nfs/dbraw/zinc/17/50/93/823175093.db2.gz IHQDYNAADWWFME-FQEVSTJZSA-N 3 1 378.564 4.215 20 0 GIADMP Oc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1Br ZINC000459393092 823181702 /nfs/dbraw/zinc/18/17/02/823181702.db2.gz VIDOQFYMLOERKL-AWEZNQCLSA-N 2 1 395.366 4.218 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000459395745 823182497 /nfs/dbraw/zinc/18/24/97/823182497.db2.gz BLTHBAABPPVCGZ-IBGZPJMESA-N 2 1 394.588 4.236 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000459395745 823182501 /nfs/dbraw/zinc/18/25/01/823182501.db2.gz BLTHBAABPPVCGZ-IBGZPJMESA-N 2 1 394.588 4.236 20 0 GIADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459403480 823185308 /nfs/dbraw/zinc/18/53/08/823185308.db2.gz BVAGHSZZIRNYTB-QZNHQXDQSA-N 2 1 397.588 4.287 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434480 823191572 /nfs/dbraw/zinc/19/15/72/823191572.db2.gz OTESZCITSAXNDO-QMHWCDLVSA-N 2 1 399.604 4.146 20 0 GIADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434480 823191578 /nfs/dbraw/zinc/19/15/78/823191578.db2.gz OTESZCITSAXNDO-QMHWCDLVSA-N 2 1 399.604 4.146 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000121482809 823192469 /nfs/dbraw/zinc/19/24/69/823192469.db2.gz FUVDHSIRLYWCIA-BLLLJJGKSA-N 2 1 380.355 4.417 20 0 GIADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000409635590 823268717 /nfs/dbraw/zinc/26/87/17/823268717.db2.gz MQCKMZHBCYZENK-OAQYLSRUSA-N 2 1 387.955 4.101 20 0 GIADMP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764528 823299909 /nfs/dbraw/zinc/29/99/09/823299909.db2.gz CHJOZSJZABRXGU-ZWKOTPCHSA-N 2 1 383.536 4.497 20 0 GIADMP CC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC000572327282 823321462 /nfs/dbraw/zinc/32/14/62/823321462.db2.gz AIWKLOFDPJFJRI-VWLOTQADSA-N 2 1 396.550 4.300 20 0 GIADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000572356833 823326795 /nfs/dbraw/zinc/32/67/95/823326795.db2.gz XWOYTDJOOYNROM-SEJPIABJSA-N 2 1 395.522 4.248 20 0 GIADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)O[C@@H](C)C2 ZINC000015594501 818344345 /nfs/dbraw/zinc/34/43/45/818344345.db2.gz BWSVJWUKUAKBAJ-SFHVURJKSA-N 2 1 380.532 4.294 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460282127 823339101 /nfs/dbraw/zinc/33/91/01/823339101.db2.gz OTJCKBKVHKNBOD-FQEVSTJZSA-N 2 1 377.617 4.002 20 0 GIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000057844223 823340600 /nfs/dbraw/zinc/34/06/00/823340600.db2.gz XDDVLBNEJCUODC-UHFFFAOYSA-N 2 1 390.531 4.004 20 0 GIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000057844223 823340606 /nfs/dbraw/zinc/34/06/06/823340606.db2.gz XDDVLBNEJCUODC-UHFFFAOYSA-N 2 1 390.531 4.004 20 0 GIADMP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000017310294 818507975 /nfs/dbraw/zinc/50/79/75/818507975.db2.gz CGZWCVLLJRQKRK-UHFFFAOYSA-N 2 1 392.547 4.368 20 0 GIADMP Cc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(Cl)c1 ZINC000460343757 823359326 /nfs/dbraw/zinc/35/93/26/823359326.db2.gz RJJFBUJOZNILGD-QZTJIDSGSA-N 2 1 399.966 4.333 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361667 823363878 /nfs/dbraw/zinc/36/38/78/823363878.db2.gz HQSVQAATTNMJQY-DTVZVWBHSA-N 2 1 399.966 4.333 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361667 823363884 /nfs/dbraw/zinc/36/38/84/823363884.db2.gz HQSVQAATTNMJQY-DTVZVWBHSA-N 2 1 399.966 4.333 20 0 GIADMP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000058396498 823385440 /nfs/dbraw/zinc/38/54/40/823385440.db2.gz LHXJDPIJNHUHBZ-UHFFFAOYSA-N 2 1 391.300 4.214 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4nc(C)ccc4c3)CC2)oc1C ZINC000189333124 823395843 /nfs/dbraw/zinc/39/58/43/823395843.db2.gz CSXDHPRJSGRNHB-UHFFFAOYSA-N 2 1 378.520 4.150 20 0 GIADMP C[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000177220315 823402822 /nfs/dbraw/zinc/40/28/22/823402822.db2.gz ZDTRLRSEDDBONT-HXUWFJFHSA-N 2 1 389.996 4.185 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC3Cc4ccccc4C3)CC2)c1C ZINC000572895686 823416045 /nfs/dbraw/zinc/41/60/45/823416045.db2.gz IVKAAHNYFOMMLL-UHFFFAOYSA-N 2 1 393.575 4.018 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC3Cc4ccccc4C3)CC2)c1C ZINC000572895686 823416049 /nfs/dbraw/zinc/41/60/49/823416049.db2.gz IVKAAHNYFOMMLL-UHFFFAOYSA-N 2 1 393.575 4.018 20 0 GIADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000177370352 823447342 /nfs/dbraw/zinc/44/73/42/823447342.db2.gz XHEZAUNVBHRBIW-LJQANCHMSA-N 2 1 391.515 4.419 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100720 823447425 /nfs/dbraw/zinc/44/74/25/823447425.db2.gz IOCNIIKOVVATHO-NPPFBWRTSA-N 2 1 377.532 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100720 823447426 /nfs/dbraw/zinc/44/74/26/823447426.db2.gz IOCNIIKOVVATHO-NPPFBWRTSA-N 2 1 377.532 4.275 20 0 GIADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000026310609 820081008 /nfs/dbraw/zinc/08/10/08/820081008.db2.gz AHJGCYRXMFFCBT-HXUWFJFHSA-N 2 1 399.535 4.226 20 0 GIADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026485370 820104029 /nfs/dbraw/zinc/10/40/29/820104029.db2.gz ZVEVOJZNGZWMSI-WIYYLYMNSA-N 2 1 397.588 4.054 20 0 GIADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465348 /nfs/dbraw/zinc/46/53/48/823465348.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465350 /nfs/dbraw/zinc/46/53/50/823465350.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465352 /nfs/dbraw/zinc/46/53/52/823465352.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 1 375.560 4.219 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655247 823468169 /nfs/dbraw/zinc/46/81/69/823468169.db2.gz LESHAWYNTIAUMD-JOCHJYFZSA-N 2 1 397.563 4.038 20 0 GIADMP Cc1nc([C@H]2CCC[N@H+]2Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000189940348 823516091 /nfs/dbraw/zinc/51/60/91/823516091.db2.gz ZNCBDOKXYGINJO-JOCHJYFZSA-N 2 1 384.593 4.319 20 0 GIADMP Cc1nc([C@H]2CCC[N@@H+]2Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000189940348 823516095 /nfs/dbraw/zinc/51/60/95/823516095.db2.gz ZNCBDOKXYGINJO-JOCHJYFZSA-N 2 1 384.593 4.319 20 0 GIADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000042229102 821288431 /nfs/dbraw/zinc/28/84/31/821288431.db2.gz MIWNFUVDBNKHBQ-KRWDZBQOSA-N 2 1 378.545 4.175 20 0 GIADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995099 821581907 /nfs/dbraw/zinc/58/19/07/821581907.db2.gz GIQBBQSUHLGFJU-LJQANCHMSA-N 2 1 396.918 4.456 20 0 GIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995099 821581915 /nfs/dbraw/zinc/58/19/15/821581915.db2.gz GIQBBQSUHLGFJU-LJQANCHMSA-N 2 1 396.918 4.456 20 0 GIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998490 821583798 /nfs/dbraw/zinc/58/37/98/821583798.db2.gz HVBVXRWTJBHAAO-NRFANRHFSA-N 2 1 394.490 4.251 20 0 GIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998490 821583805 /nfs/dbraw/zinc/58/38/05/821583805.db2.gz HVBVXRWTJBHAAO-NRFANRHFSA-N 2 1 394.490 4.251 20 0 GIADMP COc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)c21 ZINC000181332701 821765282 /nfs/dbraw/zinc/76/52/82/821765282.db2.gz ZXVFHXYWYONKTN-UHFFFAOYSA-N 2 1 395.522 4.155 20 0 GIADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740801 821971452 /nfs/dbraw/zinc/97/14/52/821971452.db2.gz BEOBROLPYQCJLS-LEWJYISDSA-N 2 1 389.584 4.221 20 0 GIADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)oc21 ZINC000182237398 822161168 /nfs/dbraw/zinc/16/11/68/822161168.db2.gz BCIPPXRWIHTGCP-LAUBAEHRSA-N 2 1 394.515 4.249 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259264 822172839 /nfs/dbraw/zinc/17/28/39/822172839.db2.gz SBKBWHMTQCJFKJ-OXJNMPFZSA-N 2 1 391.342 4.337 20 0 GIADMP CCOc1ncccc1C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182350751 822210695 /nfs/dbraw/zinc/21/06/95/822210695.db2.gz LXLLBHRYTDDMMU-GOSISDBHSA-N 2 1 383.536 4.326 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1OC ZINC000177969489 822262294 /nfs/dbraw/zinc/26/22/94/822262294.db2.gz YACOTSNMQMXGNK-IBGZPJMESA-N 2 1 382.548 4.199 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142744 822430306 /nfs/dbraw/zinc/43/03/06/822430306.db2.gz GHZZJCLMIOSRGN-MSOLQXFVSA-N 2 1 376.504 4.475 20 0 GIADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000183150273 822431639 /nfs/dbraw/zinc/43/16/39/822431639.db2.gz QOTGQRYUSLKUMI-AWEZNQCLSA-N 2 1 398.894 4.132 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000183178624 822436353 /nfs/dbraw/zinc/43/63/53/822436353.db2.gz TYNRWKKZCTZEGU-QGZVFWFLSA-N 2 1 383.492 4.440 20 0 GIADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185298 822437463 /nfs/dbraw/zinc/43/74/63/822437463.db2.gz HKWCPJNUYKKQCL-IXDOHACOSA-N 2 1 376.541 4.016 20 0 GIADMP C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191224 822438704 /nfs/dbraw/zinc/43/87/04/822438704.db2.gz YGBLUOQBJFFECZ-BFWSRPDNSA-N 2 1 381.564 4.062 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183190940 822438760 /nfs/dbraw/zinc/43/87/60/822438760.db2.gz MSDPVXLURZEDRV-CMKODMSKSA-N 2 1 390.568 4.024 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)cs1 ZINC000179125007 822441008 /nfs/dbraw/zinc/44/10/08/822441008.db2.gz ILFSLQUGFPLLIK-AWEZNQCLSA-N 2 1 378.973 4.317 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000046372762 822467004 /nfs/dbraw/zinc/46/70/04/822467004.db2.gz DOVQKDOGMAISGY-GOSISDBHSA-N 2 1 383.540 4.051 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000046372762 822467005 /nfs/dbraw/zinc/46/70/05/822467005.db2.gz DOVQKDOGMAISGY-GOSISDBHSA-N 2 1 383.540 4.051 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674562 822509479 /nfs/dbraw/zinc/50/94/79/822509479.db2.gz UUATYXSIMFOSQF-UONOGXRCSA-N 2 1 384.430 4.137 20 0 GIADMP COc1ccc2c(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc(=O)oc2c1 ZINC000183676059 822509651 /nfs/dbraw/zinc/50/96/51/822509651.db2.gz HYXYWGFMERODSR-OAHLLOKOSA-N 2 1 389.455 4.147 20 0 GIADMP CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688114 822511507 /nfs/dbraw/zinc/51/15/07/822511507.db2.gz AHWCOJPIYMNZJN-IAGOWNOFSA-N 2 1 376.504 4.421 20 0 GIADMP COc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C(C)C)cc1 ZINC000180109175 822617080 /nfs/dbraw/zinc/61/70/80/822617080.db2.gz LMEPKZPGQWOKMG-QHCPKHFHSA-N 2 1 385.552 4.499 20 0 GIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180135362 822623580 /nfs/dbraw/zinc/62/35/80/822623580.db2.gz RCKMNCBMXVNGIN-VCWRXUFXSA-N 2 1 381.605 4.170 20 0 GIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000180202228 822638642 /nfs/dbraw/zinc/63/86/42/822638642.db2.gz XQDDIDIZHOMRDE-UHFFFAOYSA-N 2 1 393.575 4.039 20 0 GIADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750390 822681432 /nfs/dbraw/zinc/68/14/32/822681432.db2.gz UOBZTPOSDBZSKT-UHFFFAOYSA-N 2 1 378.307 4.172 20 0 GIADMP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575844 822705346 /nfs/dbraw/zinc/70/53/46/822705346.db2.gz HCTQHHHXWBCKCM-BWKNWUBXSA-N 2 1 378.560 4.483 20 0 GIADMP Fc1ccc(-c2nc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)co2)cc1 ZINC000174356105 822777207 /nfs/dbraw/zinc/77/72/07/822777207.db2.gz RLKBOECTBDMAFQ-UHFFFAOYSA-N 2 1 379.479 4.277 20 0 GIADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784350 /nfs/dbraw/zinc/78/43/50/822784350.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784352 /nfs/dbraw/zinc/78/43/52/822784352.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784356 /nfs/dbraw/zinc/78/43/56/822784356.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 2 1 390.474 4.251 20 0 GIADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784357 /nfs/dbraw/zinc/78/43/57/822784357.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 2 1 390.474 4.251 20 0 GIADMP CN(C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400411 822784612 /nfs/dbraw/zinc/78/46/12/822784612.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 2 1 392.465 4.193 20 0 GIADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400411 822784615 /nfs/dbraw/zinc/78/46/15/822784615.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 2 1 392.465 4.193 20 0 GIADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400411 822784617 /nfs/dbraw/zinc/78/46/17/822784617.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 2 1 392.465 4.193 20 0 GIADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400411 822784620 /nfs/dbraw/zinc/78/46/20/822784620.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 2 1 392.465 4.193 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000174450656 822791455 /nfs/dbraw/zinc/79/14/55/822791455.db2.gz XWNGBFXHKDCDGF-UHFFFAOYSA-N 2 1 397.563 4.038 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCCn3cc[nH+]c3C)c2)cc1 ZINC000174453334 822792004 /nfs/dbraw/zinc/79/20/04/822792004.db2.gz VQUYSFISJLVIPV-UHFFFAOYSA-N 2 1 392.503 4.022 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000052210001 822793043 /nfs/dbraw/zinc/79/30/43/822793043.db2.gz AKZYDHKYRNCQIP-UHFFFAOYSA-N 2 1 383.939 4.252 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697296 822811209 /nfs/dbraw/zinc/81/12/09/822811209.db2.gz ILCKMSXDXOZIEL-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697296 822811211 /nfs/dbraw/zinc/81/12/11/822811211.db2.gz ILCKMSXDXOZIEL-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706832 822812426 /nfs/dbraw/zinc/81/24/26/822812426.db2.gz JFOQZDDXJYQDNT-BBTUJRGHSA-N 2 1 385.596 4.381 20 0 GIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706832 822812429 /nfs/dbraw/zinc/81/24/29/822812429.db2.gz JFOQZDDXJYQDNT-BBTUJRGHSA-N 2 1 385.596 4.381 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765267 822819090 /nfs/dbraw/zinc/81/90/90/822819090.db2.gz UGPCVDNQWLNSNO-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765267 822819093 /nfs/dbraw/zinc/81/90/93/822819093.db2.gz UGPCVDNQWLNSNO-KGLIPLIRSA-N 2 1 384.351 4.175 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836378 /nfs/dbraw/zinc/83/63/78/822836378.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 2 1 379.548 4.344 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836382 /nfs/dbraw/zinc/83/63/82/822836382.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 2 1 379.548 4.344 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836385 /nfs/dbraw/zinc/83/63/85/822836385.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 2 1 379.548 4.344 20 0 GIADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569175163 822888783 /nfs/dbraw/zinc/88/87/83/822888783.db2.gz DKFYRLAFSYRFIY-QFIPXVFZSA-N 2 1 394.563 4.172 20 0 GIADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386525 822914441 /nfs/dbraw/zinc/91/44/41/822914441.db2.gz HXFXBISIUCEGGO-LADGPHEKSA-N 2 1 394.559 4.169 20 0 GIADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386525 822914443 /nfs/dbraw/zinc/91/44/43/822914443.db2.gz HXFXBISIUCEGGO-LADGPHEKSA-N 2 1 394.559 4.169 20 0 GIADMP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000055043156 822933655 /nfs/dbraw/zinc/93/36/55/822933655.db2.gz WEOVVHLLTSFIQX-UHFFFAOYSA-N 2 1 392.572 4.376 20 0 GIADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000569605683 822944104 /nfs/dbraw/zinc/94/41/04/822944104.db2.gz OSQWKAXSJZWDHD-CBQGHPETSA-N 2 1 380.532 4.379 20 0 GIADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000569605683 822944108 /nfs/dbraw/zinc/94/41/08/822944108.db2.gz OSQWKAXSJZWDHD-CBQGHPETSA-N 2 1 380.532 4.379 20 0 GIADMP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971038 822991491 /nfs/dbraw/zinc/99/14/91/822991491.db2.gz CDNRNNSTVMJSAK-INIZCTEOSA-N 2 1 395.494 4.491 20 0 GIADMP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971038 822991495 /nfs/dbraw/zinc/99/14/95/822991495.db2.gz CDNRNNSTVMJSAK-INIZCTEOSA-N 2 1 395.494 4.491 20 0 GIADMP Clc1ccc(Cc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000570097837 823005527 /nfs/dbraw/zinc/00/55/27/823005527.db2.gz LSMLGKRGRKFJQI-IBGZPJMESA-N 2 1 375.969 4.351 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187086098 823008779 /nfs/dbraw/zinc/00/87/79/823008779.db2.gz KLOZTRHRIFUHLA-LJQANCHMSA-N 2 1 383.580 4.072 20 0 GIADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411281652 823562110 /nfs/dbraw/zinc/56/21/10/823562110.db2.gz ASJFYNBPRNZHRH-JOCHJYFZSA-N 2 1 389.547 4.095 20 0 GIADMP C[C@@H]1C[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411423727 823572490 /nfs/dbraw/zinc/57/24/90/823572490.db2.gz YLQZAIMASBEDDV-VEXUSMLFSA-N 2 1 397.994 4.387 20 0 GIADMP C[C@@H]1C[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411423727 823572494 /nfs/dbraw/zinc/57/24/94/823572494.db2.gz YLQZAIMASBEDDV-VEXUSMLFSA-N 2 1 397.994 4.387 20 0 GIADMP COc1ccc(OC)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000061070929 823576976 /nfs/dbraw/zinc/57/69/76/823576976.db2.gz GKJZCYMYXZWBCO-OALUTQOASA-N 2 1 382.548 4.472 20 0 GIADMP CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411482404 823580300 /nfs/dbraw/zinc/58/03/00/823580300.db2.gz ZFJJNOVJSBPIMF-KRWDZBQOSA-N 2 1 392.503 4.259 20 0 GIADMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411511034 823582662 /nfs/dbraw/zinc/58/26/62/823582662.db2.gz HVUOGMXWZRVMDZ-OAQYLSRUSA-N 2 1 377.536 4.346 20 0 GIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578205 823608011 /nfs/dbraw/zinc/60/80/11/823608011.db2.gz XZOVCNXKIRCUKX-OTWHNJEPSA-N 2 1 395.547 4.105 20 0 GIADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412126130 823628163 /nfs/dbraw/zinc/62/81/63/823628163.db2.gz QOYWIZABFVMPDB-UHFFFAOYSA-N 2 1 385.596 4.257 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C(C)(C)C)c3C)CC2)oc1C ZINC000191281642 823667120 /nfs/dbraw/zinc/66/71/20/823667120.db2.gz HOBVTSVOMMBAEU-MRXNPFEDSA-N 2 1 387.572 4.114 20 0 GIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125545809 823684168 /nfs/dbraw/zinc/68/41/68/823684168.db2.gz BTNFLOSTIFNGGI-IBGZPJMESA-N 2 1 380.561 4.043 20 0 GIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125545809 823684171 /nfs/dbraw/zinc/68/41/71/823684171.db2.gz BTNFLOSTIFNGGI-IBGZPJMESA-N 2 1 380.561 4.043 20 0 GIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500206 823691836 /nfs/dbraw/zinc/69/18/36/823691836.db2.gz SWQXYUVCBHELSH-OXQOHEQNSA-N 2 1 395.385 4.238 20 0 GIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500222 823691848 /nfs/dbraw/zinc/69/18/48/823691848.db2.gz SWQXYUVCBHELSH-OXJNMPFZSA-N 2 1 395.385 4.238 20 0 GIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000063917606 823711357 /nfs/dbraw/zinc/71/13/57/823711357.db2.gz RNSLDVKSEGBUKM-LJQANCHMSA-N 2 1 378.520 4.262 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000163556248 823721378 /nfs/dbraw/zinc/72/13/78/823721378.db2.gz HBLAWFANSMGBQA-KRWDZBQOSA-N 2 1 395.526 4.407 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191693608 823737314 /nfs/dbraw/zinc/73/73/14/823737314.db2.gz ZQBKHNVRPXYFJV-DEOSSOPVSA-N 2 1 383.555 4.117 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000125928508 823746543 /nfs/dbraw/zinc/74/65/43/823746543.db2.gz URKOISATMFEFDZ-UHFFFAOYSA-N 2 1 379.552 4.304 20 0 GIADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574519326 823754203 /nfs/dbraw/zinc/75/42/03/823754203.db2.gz OGOXYZFIWGLPPJ-UYAOXDASSA-N 2 1 393.531 4.127 20 0 GIADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163940133 823763171 /nfs/dbraw/zinc/76/31/71/823763171.db2.gz HPJFHODVYNJIRK-VWLOTQADSA-N 2 1 394.559 4.262 20 0 GIADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163958464 823766120 /nfs/dbraw/zinc/76/61/20/823766120.db2.gz CCLPPXMTZDLADH-GOSISDBHSA-N 2 1 388.577 4.397 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164955809 823826875 /nfs/dbraw/zinc/82/68/75/823826875.db2.gz XOAMNLCGMIZCHZ-MDKPJZGXSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164955809 823826881 /nfs/dbraw/zinc/82/68/81/823826881.db2.gz XOAMNLCGMIZCHZ-MDKPJZGXSA-N 2 1 399.560 4.438 20 0 GIADMP O=C(NCc1ccco1)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000164978857 823827841 /nfs/dbraw/zinc/82/78/41/823827841.db2.gz XIQSGOKCGQGJKI-UHFFFAOYSA-N 2 1 395.547 4.096 20 0 GIADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)O[C@H](C)C2 ZINC000064615953 823853698 /nfs/dbraw/zinc/85/36/98/823853698.db2.gz GYYYGXROAWPRKL-SJORKVTESA-N 2 1 386.561 4.082 20 0 GIADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)O[C@H](C)C2 ZINC000064615953 823853704 /nfs/dbraw/zinc/85/37/04/823853704.db2.gz GYYYGXROAWPRKL-SJORKVTESA-N 2 1 386.561 4.082 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581146 823879538 /nfs/dbraw/zinc/87/95/38/823879538.db2.gz QYJUWFQYJPQTID-GMAHTHKFSA-N 2 1 397.563 4.261 20 0 GIADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199010 823927269 /nfs/dbraw/zinc/92/72/69/823927269.db2.gz XCAYNXWRKGEHOX-PMACEKPBSA-N 2 1 392.547 4.296 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830203 823961692 /nfs/dbraw/zinc/96/16/92/823961692.db2.gz KVHUEBYFLGQLOI-ROUUACIJSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830203 823961701 /nfs/dbraw/zinc/96/17/01/823961701.db2.gz KVHUEBYFLGQLOI-ROUUACIJSA-N 2 1 399.560 4.268 20 0 GIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000414450648 823987355 /nfs/dbraw/zinc/98/73/55/823987355.db2.gz YITQNFBFBWZESR-UHFFFAOYSA-N 2 1 393.510 4.232 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000414702402 824024836 /nfs/dbraw/zinc/02/48/36/824024836.db2.gz BJUZHOZKGAWISH-FQEVSTJZSA-N 2 1 398.595 4.305 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414716213 824026167 /nfs/dbraw/zinc/02/61/67/824026167.db2.gz RVMQKZDSJJSFQA-QHCPKHFHSA-N 2 1 384.568 4.059 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414903778 824048093 /nfs/dbraw/zinc/04/80/93/824048093.db2.gz MEJUNFHNQMFUHZ-FQEVSTJZSA-N 2 1 383.540 4.084 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)C[C@H](C)O1 ZINC000192636668 824052660 /nfs/dbraw/zinc/05/26/60/824052660.db2.gz RKNOXKLCWAIURA-YDIMBITNSA-N 2 1 379.548 4.332 20 0 GIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942422 824052909 /nfs/dbraw/zinc/05/29/09/824052909.db2.gz DKBZPDKBMUCDPX-CJNGLKHVSA-N 2 1 392.330 4.476 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735078 720449897 /nfs/dbraw/zinc/44/98/97/720449897.db2.gz VSVMASNQPBHMKA-GOTSBHOMSA-N 2 1 399.542 4.083 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735078 720449901 /nfs/dbraw/zinc/44/99/01/720449901.db2.gz VSVMASNQPBHMKA-GOTSBHOMSA-N 2 1 399.542 4.083 20 0 GIADMP Cc1[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc2[nH]ccc21 ZINC001164840967 720706570 /nfs/dbraw/zinc/70/65/70/720706570.db2.gz TWVROOGPDFKJPB-HXUWFJFHSA-N 2 1 390.531 4.131 20 0 GIADMP Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908908 721710439 /nfs/dbraw/zinc/71/04/39/721710439.db2.gz ZKXGPYDASDPYLX-OAQYLSRUSA-N 2 1 397.473 4.004 20 0 GIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@@H]21 ZINC001165026473 721809353 /nfs/dbraw/zinc/80/93/53/721809353.db2.gz QSGYZFKGTJPADI-UNWVZKJWSA-N 2 1 376.548 4.092 20 0 GIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@@H]21 ZINC001165026473 721809354 /nfs/dbraw/zinc/80/93/54/721809354.db2.gz QSGYZFKGTJPADI-UNWVZKJWSA-N 2 1 376.548 4.092 20 0 GIADMP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165021593 721815253 /nfs/dbraw/zinc/81/52/53/721815253.db2.gz FBCCNKICEGEXNB-XJABCFGWSA-N 2 1 375.520 4.003 20 0 GIADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OCc1cccnc1 ZINC000120760136 823058678 /nfs/dbraw/zinc/05/86/78/823058678.db2.gz WLKLSUCVINVZRF-OAQYLSRUSA-N 2 1 397.563 4.127 20 0 GIADMP C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120797232 823066055 /nfs/dbraw/zinc/06/60/55/823066055.db2.gz HYUCLYSAYKQMEL-HYBUGGRVSA-N 2 1 381.564 4.115 20 0 GIADMP C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120797066 823066077 /nfs/dbraw/zinc/06/60/77/823066077.db2.gz HYUCLYSAYKQMEL-GBXCKJPGSA-N 2 1 381.564 4.115 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845168 823094617 /nfs/dbraw/zinc/09/46/17/823094617.db2.gz GJTJULNBVUNRAB-QUCCMNQESA-N 2 1 397.966 4.241 20 0 GIADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845168 823094620 /nfs/dbraw/zinc/09/46/20/823094620.db2.gz GJTJULNBVUNRAB-QUCCMNQESA-N 2 1 397.966 4.241 20 0 GIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000570886966 823102541 /nfs/dbraw/zinc/10/25/41/823102541.db2.gz QLBUHMKBUUTNNS-ARJAWSKDSA-N 2 1 391.550 4.106 20 0 GIADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000570886966 823102544 /nfs/dbraw/zinc/10/25/44/823102544.db2.gz QLBUHMKBUUTNNS-ARJAWSKDSA-N 3 1 391.550 4.106 20 0 GIADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000570886966 823102546 /nfs/dbraw/zinc/10/25/46/823102546.db2.gz QLBUHMKBUUTNNS-ARJAWSKDSA-N 3 1 391.550 4.106 20 0 GIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137466 823139524 /nfs/dbraw/zinc/13/95/24/823139524.db2.gz QKIIVIZGCRMCGN-LKUPVBHCSA-N 2 1 397.588 4.174 20 0 GIADMP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187837271 823143293 /nfs/dbraw/zinc/14/32/93/823143293.db2.gz ZHQVTIGYGKRYAA-JOCHJYFZSA-N 2 1 378.495 4.140 20 0 GIADMP C[NH+](C)CCC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000056523595 823161639 /nfs/dbraw/zinc/16/16/39/823161639.db2.gz VIOOYYXRTOXVMD-UHFFFAOYSA-N 2 1 377.529 4.025 20 0 GIADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307931 823163383 /nfs/dbraw/zinc/16/33/83/823163383.db2.gz VCILBDYMBUNPBW-ZQJXTXKDSA-N 2 1 376.610 4.099 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000056629403 823185412 /nfs/dbraw/zinc/18/54/12/823185412.db2.gz NCQOYDPQZQLLRN-SFHVURJKSA-N 2 1 383.540 4.051 20 0 GIADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466688 823187143 /nfs/dbraw/zinc/18/71/43/823187143.db2.gz DKKBVRCDFBBLKN-IFMALSPDSA-N 2 1 382.548 4.119 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459423937 823189646 /nfs/dbraw/zinc/18/96/46/823189646.db2.gz GCSVSVQYQBCYOS-HXUWFJFHSA-N 2 1 394.559 4.261 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000121482988 823192574 /nfs/dbraw/zinc/19/25/74/823192574.db2.gz FUVDHSIRLYWCIA-MLGOLLRUSA-N 2 1 380.355 4.417 20 0 GIADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459533984 823213960 /nfs/dbraw/zinc/21/39/60/823213960.db2.gz OYLCCUOUDLIISH-IBGZPJMESA-N 2 1 395.385 4.003 20 0 GIADMP O=c1cc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)occ1O ZINC000571882512 823249440 /nfs/dbraw/zinc/24/94/40/823249440.db2.gz WARVRWPQHROIEJ-QFIPXVFZSA-N 2 1 396.531 4.002 20 0 GIADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409635038 823268519 /nfs/dbraw/zinc/26/85/19/823268519.db2.gz IATUPVOJALPXTM-NRFANRHFSA-N 2 1 387.955 4.101 20 0 GIADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000572186074 823296685 /nfs/dbraw/zinc/29/66/85/823296685.db2.gz LFRVGKIFSITSCB-JOZNFPNDSA-N 2 1 394.559 4.387 20 0 GIADMP C[NH+](C)CC1(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCCCC1 ZINC000460203414 823315681 /nfs/dbraw/zinc/31/56/81/823315681.db2.gz IXEQIRRCLUGBPF-UHFFFAOYSA-N 2 1 397.563 4.040 20 0 GIADMP C[NH+](C)CC1(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCCCC1 ZINC000460203414 823315687 /nfs/dbraw/zinc/31/56/87/823315687.db2.gz IXEQIRRCLUGBPF-UHFFFAOYSA-N 2 1 397.563 4.040 20 0 GIADMP CC1(C)CC[C@@H](C[NH+]2CCCC3(CCC[N@H+](C[C@@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326097 823320533 /nfs/dbraw/zinc/32/05/33/823320533.db2.gz ATNDVIGVMVKJFM-ZXTYOHMPSA-N 2 1 378.601 4.080 20 0 GIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)s2)[C@H](C)C1 ZINC000122257747 823328702 /nfs/dbraw/zinc/32/87/02/823328702.db2.gz TZNCSORCBAZNMK-ILXRZTDVSA-N 2 1 389.403 4.298 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)s2)[C@H](C)C1 ZINC000122257747 823328709 /nfs/dbraw/zinc/32/87/09/823328709.db2.gz TZNCSORCBAZNMK-ILXRZTDVSA-N 2 1 389.403 4.298 20 0 GIADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CC1 ZINC000017313938 818508453 /nfs/dbraw/zinc/50/84/53/818508453.db2.gz RNXKAQUMKPYSIW-UHFFFAOYSA-N 2 1 380.923 4.377 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000017317820 818509204 /nfs/dbraw/zinc/50/92/04/818509204.db2.gz VTRXUZDZGLMSTD-IBGZPJMESA-N 2 1 395.547 4.302 20 0 GIADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000017317820 818509213 /nfs/dbraw/zinc/50/92/13/818509213.db2.gz VTRXUZDZGLMSTD-IBGZPJMESA-N 2 1 395.547 4.302 20 0 GIADMP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000058430251 823390340 /nfs/dbraw/zinc/39/03/40/823390340.db2.gz JJVSZEKUSLQRCU-UHFFFAOYSA-N 2 1 386.584 4.053 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767500 823395425 /nfs/dbraw/zinc/39/54/25/823395425.db2.gz OAZCCKBWYNKGIS-CRAIPNDOSA-N 2 1 378.438 4.411 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572767500 823395432 /nfs/dbraw/zinc/39/54/32/823395432.db2.gz OAZCCKBWYNKGIS-CRAIPNDOSA-N 2 1 378.438 4.411 20 0 GIADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413925 /nfs/dbraw/zinc/41/39/25/823413925.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413929 /nfs/dbraw/zinc/41/39/29/823413929.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413933 /nfs/dbraw/zinc/41/39/33/823413933.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413937 /nfs/dbraw/zinc/41/39/37/823413937.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 2 1 382.548 4.497 20 0 GIADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000177356262 823443826 /nfs/dbraw/zinc/44/38/26/823443826.db2.gz LDQYKYKOISFQCK-FQEVSTJZSA-N 2 1 383.511 4.046 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000410345915 823468728 /nfs/dbraw/zinc/46/87/28/823468728.db2.gz TULBBYSUZMINOX-LJQANCHMSA-N 2 1 394.563 4.444 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506126 823479005 /nfs/dbraw/zinc/47/90/05/823479005.db2.gz VBMJQTQVYUEOGE-IRXDYDNUSA-N 2 1 389.565 4.114 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000177529970 823483663 /nfs/dbraw/zinc/48/36/63/823483663.db2.gz VWPIGLQKKBWNAS-FQEVSTJZSA-N 2 1 395.551 4.004 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907103 820706912 /nfs/dbraw/zinc/70/69/12/820706912.db2.gz PMQOLDUXWCEFDQ-QGZVFWFLSA-N 2 1 383.923 4.166 20 0 GIADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000030907130 820707007 /nfs/dbraw/zinc/70/70/07/820707007.db2.gz CBBDWXBHLXBSDI-GOSISDBHSA-N 2 1 390.506 4.252 20 0 GIADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123566744 823522072 /nfs/dbraw/zinc/52/20/72/823522072.db2.gz GMVDACFQOLAPKF-MRXNPFEDSA-N 2 1 390.959 4.429 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000177846217 823535484 /nfs/dbraw/zinc/53/54/84/823535484.db2.gz KDYIBIVEVFWKKW-SFHVURJKSA-N 2 1 388.515 4.268 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000180643832 821379913 /nfs/dbraw/zinc/37/99/13/821379913.db2.gz XONNVDXLJZVANF-IZZNHLLZSA-N 2 1 386.539 4.327 20 0 GIADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774885 821987827 /nfs/dbraw/zinc/98/78/27/821987827.db2.gz DELJBHWYZMARAX-IFXJQAMLSA-N 2 1 399.348 4.130 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182131029 822109189 /nfs/dbraw/zinc/10/91/89/822109189.db2.gz LTESPTNLAPNYHN-OAQYLSRUSA-N 2 1 385.596 4.060 20 0 GIADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182243278 822164036 /nfs/dbraw/zinc/16/40/36/822164036.db2.gz PIKBRTBSZCLPOX-OXQOHEQNSA-N 2 1 387.593 4.382 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249266 822167459 /nfs/dbraw/zinc/16/74/59/822167459.db2.gz CDQFEIJMJLMVML-OXQOHEQNSA-N 2 1 390.474 4.096 20 0 GIADMP CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182266942 822178229 /nfs/dbraw/zinc/17/82/29/822178229.db2.gz OYDIKSAFLOACLQ-CVDCTZTESA-N 2 1 382.548 4.139 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000178389747 822374321 /nfs/dbraw/zinc/37/43/21/822374321.db2.gz OMGZMPNDGKEKQO-GOSISDBHSA-N 2 1 375.532 4.131 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000178410482 822376700 /nfs/dbraw/zinc/37/67/00/822376700.db2.gz MZFPVOIUMWRAMW-UHFFFAOYSA-N 2 1 383.511 4.431 20 0 GIADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178520687 822387397 /nfs/dbraw/zinc/38/73/97/822387397.db2.gz HMCDQCMBRVECEE-GFCCVEGCSA-N 2 1 398.391 4.222 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000178657630 822400230 /nfs/dbraw/zinc/40/02/30/822400230.db2.gz OFOOWMZAYPSSMM-SFHVURJKSA-N 2 1 386.511 4.166 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178696159 822403564 /nfs/dbraw/zinc/40/35/64/822403564.db2.gz XXJOIFHAODVDSQ-SUMWQHHRSA-N 2 1 378.314 4.094 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800686 822411564 /nfs/dbraw/zinc/41/15/64/822411564.db2.gz GSFBJEJNXNQDKQ-LAUBAEHRSA-N 2 1 390.543 4.299 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000183138849 822429486 /nfs/dbraw/zinc/42/94/86/822429486.db2.gz YXECMROFVGEKGO-OSPHWJPCSA-N 2 1 388.515 4.099 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140475 822429747 /nfs/dbraw/zinc/42/97/47/822429747.db2.gz BBAPELHLIQUOQF-QZTJIDSGSA-N 2 1 376.504 4.475 20 0 GIADMP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183141310 822430085 /nfs/dbraw/zinc/43/00/85/822430085.db2.gz UWBZHZRWKKRQEC-IAGOWNOFSA-N 2 1 392.503 4.257 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142692 822430316 /nfs/dbraw/zinc/43/03/16/822430316.db2.gz GHZZJCLMIOSRGN-ZWKOTPCHSA-N 2 1 376.504 4.475 20 0 GIADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183152849 822432140 /nfs/dbraw/zinc/43/21/40/822432140.db2.gz ARYPWPNEIUXNAC-JKSUJKDBSA-N 2 1 390.487 4.061 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183153017 822432374 /nfs/dbraw/zinc/43/23/74/822432374.db2.gz ALHSHBHMPGMYGH-DLBZAZTESA-N 2 1 399.498 4.407 20 0 GIADMP Clc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000183171336 822435274 /nfs/dbraw/zinc/43/52/74/822435274.db2.gz FZWXLGQXXJTARO-WOJBJXKFSA-N 2 1 382.379 4.174 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193877 822439217 /nfs/dbraw/zinc/43/92/17/822439217.db2.gz NLTMXXZWFCKDTL-YQVWRLOYSA-N 2 1 384.568 4.274 20 0 GIADMP c1cc(COc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447040 /nfs/dbraw/zinc/44/70/40/822447040.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 2 1 377.532 4.109 20 0 GIADMP c1cc(COc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447042 /nfs/dbraw/zinc/44/70/42/822447042.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 2 1 377.532 4.109 20 0 GIADMP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388463 822475481 /nfs/dbraw/zinc/47/54/81/822475481.db2.gz YVXMVUFSTLBKEE-SFHVURJKSA-N 2 1 391.519 4.431 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000183674313 822509455 /nfs/dbraw/zinc/50/94/55/822509455.db2.gz YIXABKJHKBSKEN-IERDGZPVSA-N 2 1 399.922 4.062 20 0 GIADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676427 822509846 /nfs/dbraw/zinc/50/98/46/822509846.db2.gz IYDPASDSUUMAQJ-KRWDZBQOSA-N 2 1 394.494 4.019 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719195 822516447 /nfs/dbraw/zinc/51/64/47/822516447.db2.gz JGVOWNQYJMRUBJ-RHSMWYFYSA-N 2 1 380.355 4.078 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719195 822516448 /nfs/dbraw/zinc/51/64/48/822516448.db2.gz JGVOWNQYJMRUBJ-RHSMWYFYSA-N 2 1 380.355 4.078 20 0 GIADMP CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184175440 822590959 /nfs/dbraw/zinc/59/09/59/822590959.db2.gz VXQGGIAPNMXZCX-XMMPIXPASA-N 2 1 391.559 4.019 20 0 GIADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180022439 822598565 /nfs/dbraw/zinc/59/85/65/822598565.db2.gz SEYRWLPVMRIGTA-HSZRJFAPSA-N 2 1 380.511 4.280 20 0 GIADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000047977108 822623530 /nfs/dbraw/zinc/62/35/30/822623530.db2.gz UGQZFUPZLRXVCS-QHCPKHFHSA-N 2 1 399.604 4.008 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@H](C)C1 ZINC000180550702 822700609 /nfs/dbraw/zinc/70/06/09/822700609.db2.gz SKOHVGZUHXJIKM-KNKQGSTJSA-N 2 1 383.580 4.060 20 0 GIADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000455858221 822738245 /nfs/dbraw/zinc/73/82/45/822738245.db2.gz PBYICVMYBATVOW-ZJBJCVSYSA-N 2 1 384.568 4.010 20 0 GIADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000185199199 822748522 /nfs/dbraw/zinc/74/85/22/822748522.db2.gz VATAJULHRBYCJX-UHFFFAOYSA-N 2 1 393.362 4.209 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000174452899 822791913 /nfs/dbraw/zinc/79/19/13/822791913.db2.gz QFWBIEIVPUSSIR-UHFFFAOYSA-N 2 1 385.943 4.277 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000174453943 822792128 /nfs/dbraw/zinc/79/21/28/822792128.db2.gz PHFLHVBLQMNRGT-UHFFFAOYSA-N 2 1 378.520 4.352 20 0 GIADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742845 822816809 /nfs/dbraw/zinc/81/68/09/822816809.db2.gz VRZBJGIKFGBQLP-NLWGTHIKSA-N 2 1 397.563 4.195 20 0 GIADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742845 822816813 /nfs/dbraw/zinc/81/68/13/822816813.db2.gz VRZBJGIKFGBQLP-NLWGTHIKSA-N 2 1 397.563 4.195 20 0 GIADMP C[C@H](OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185758316 822818311 /nfs/dbraw/zinc/81/83/11/822818311.db2.gz ACRAHPZCNNEEMZ-ZHDKGAKHSA-N 2 1 394.987 4.021 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3csc(C(C)C)n3)CC2)oc1C ZINC000186334167 822877660 /nfs/dbraw/zinc/87/76/60/822877660.db2.gz HVWOUGZHSJWQHZ-HNNXBMFYSA-N 2 1 376.570 4.434 20 0 GIADMP COCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569746773 822962786 /nfs/dbraw/zinc/96/27/86/822962786.db2.gz FJUTZKWTAMWHIN-HSZRJFAPSA-N 2 1 382.548 4.104 20 0 GIADMP CCc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000569815641 822971978 /nfs/dbraw/zinc/97/19/78/822971978.db2.gz BDMALJKXNWQIAX-UHFFFAOYSA-N 2 1 382.548 4.028 20 0 GIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187164357 823019725 /nfs/dbraw/zinc/01/97/25/823019725.db2.gz ZYILZNSQNVSWHM-CYBMUJFWSA-N 2 1 380.305 4.286 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187164357 823019728 /nfs/dbraw/zinc/01/97/28/823019728.db2.gz ZYILZNSQNVSWHM-CYBMUJFWSA-N 2 1 380.305 4.286 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000570341383 823027272 /nfs/dbraw/zinc/02/72/72/823027272.db2.gz HCAQBNCOYAIJTO-UHFFFAOYSA-N 2 1 391.559 4.073 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353873 823028265 /nfs/dbraw/zinc/02/82/65/823028265.db2.gz DLPQUEQYLQCGLV-YRISNDGFSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353873 823028269 /nfs/dbraw/zinc/02/82/69/823028269.db2.gz DLPQUEQYLQCGLV-YRISNDGFSA-N 2 1 381.549 4.063 20 0 GIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc(N5CCCC5)nc4)C3)CC2)cc1 ZINC000570470825 823042299 /nfs/dbraw/zinc/04/22/99/823042299.db2.gz YFUXIMQPRQEFBW-UHFFFAOYSA-N 2 1 390.575 4.170 20 0 GIADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411221483 823558313 /nfs/dbraw/zinc/55/83/13/823558313.db2.gz DTQLLTXOKNEXHW-UHFFFAOYSA-N 2 1 393.575 4.087 20 0 GIADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411223067 823558489 /nfs/dbraw/zinc/55/84/89/823558489.db2.gz HFGVIEBVPDEPLK-QHCPKHFHSA-N 2 1 399.604 4.148 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568159 /nfs/dbraw/zinc/56/81/59/823568159.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568160 /nfs/dbraw/zinc/56/81/60/823568160.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568161 /nfs/dbraw/zinc/56/81/61/823568161.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 2 1 399.604 4.006 20 0 GIADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411389693 823568886 /nfs/dbraw/zinc/56/88/86/823568886.db2.gz OPHNTLHGODMODB-JOCHJYFZSA-N 2 1 381.568 4.225 20 0 GIADMP COc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCc1ccncc1 ZINC000060978691 823570826 /nfs/dbraw/zinc/57/08/26/823570826.db2.gz BFWIXNSJRDBKNT-BGYRXZFFSA-N 2 1 397.563 4.127 20 0 GIADMP COc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCc1ccncc1 ZINC000060978691 823570829 /nfs/dbraw/zinc/57/08/29/823570829.db2.gz BFWIXNSJRDBKNT-BGYRXZFFSA-N 2 1 397.563 4.127 20 0 GIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492899 823581208 /nfs/dbraw/zinc/58/12/08/823581208.db2.gz DOJRGFCOCQNSDJ-MZKRTTBSSA-N 2 1 383.580 4.150 20 0 GIADMP CC(CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000411507468 823582218 /nfs/dbraw/zinc/58/22/18/823582218.db2.gz ZRDODXMAFWLGCB-ZEQRLZLVSA-N 2 1 392.628 4.185 20 0 GIADMP CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411508687 823582409 /nfs/dbraw/zinc/58/24/09/823582409.db2.gz BFVPMYCOTQGZOC-NRFANRHFSA-N 2 1 377.536 4.346 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512317 823582811 /nfs/dbraw/zinc/58/28/11/823582811.db2.gz APIIFRVKQLFXCE-HUUCEWRRSA-N 2 1 381.923 4.050 20 0 GIADMP CSc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000411547339 823587287 /nfs/dbraw/zinc/58/72/87/823587287.db2.gz BZCRUXBCZVNLEX-QUCCMNQESA-N 2 1 397.588 4.237 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411629108 823592295 /nfs/dbraw/zinc/59/22/95/823592295.db2.gz AXCJYGIIDRUEKQ-UHFFFAOYSA-N 2 1 397.350 4.493 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411629108 823592299 /nfs/dbraw/zinc/59/22/99/823592299.db2.gz AXCJYGIIDRUEKQ-UHFFFAOYSA-N 2 1 397.350 4.493 20 0 GIADMP Cc1nc(-c2cc([C@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)cs2)cs1 ZINC000124436821 823596680 /nfs/dbraw/zinc/59/66/80/823596680.db2.gz JVQJBWAKNHCYHM-HNNXBMFYSA-N 2 1 392.638 4.104 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518432 823694602 /nfs/dbraw/zinc/69/46/02/823694602.db2.gz WKJJFYBYYNWHKL-ROUUACIJSA-N 2 1 396.535 4.170 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518432 823694603 /nfs/dbraw/zinc/69/46/03/823694603.db2.gz WKJJFYBYYNWHKL-ROUUACIJSA-N 2 1 396.535 4.170 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000125679884 823696017 /nfs/dbraw/zinc/69/60/17/823696017.db2.gz ROUHAKDWQUMXFF-UHFFFAOYSA-N 2 1 397.567 4.489 20 0 GIADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000461867348 823728514 /nfs/dbraw/zinc/72/85/14/823728514.db2.gz QIMKUSQAGWYOPZ-GOSISDBHSA-N 2 1 377.598 4.075 20 0 GIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994839 823762553 /nfs/dbraw/zinc/76/25/53/823762553.db2.gz VUBPXHAJBRHZEU-OALUTQOASA-N 2 1 392.609 4.174 20 0 GIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994839 823762556 /nfs/dbraw/zinc/76/25/56/823762556.db2.gz VUBPXHAJBRHZEU-OALUTQOASA-N 2 1 392.609 4.174 20 0 GIADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163940251 823763194 /nfs/dbraw/zinc/76/31/94/823763194.db2.gz HPJFHODVYNJIRK-RUZDIDTESA-N 2 1 394.559 4.262 20 0 GIADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1 ZINC000163947775 823764346 /nfs/dbraw/zinc/76/43/46/823764346.db2.gz ZGMKBAVUHPZXIE-XMMPIXPASA-N 2 1 382.548 4.417 20 0 GIADMP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163956513 823765405 /nfs/dbraw/zinc/76/54/05/823765405.db2.gz DAEUWCREBGPWLL-LJQANCHMSA-N 2 1 398.547 4.036 20 0 GIADMP C[C@H](CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559132 823766034 /nfs/dbraw/zinc/76/60/34/823766034.db2.gz SMPJHAOYYOCPIY-RDGATRHJSA-N 2 1 377.576 4.072 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc([S@](C)=O)cc1 ZINC000164511119 823805776 /nfs/dbraw/zinc/80/57/76/823805776.db2.gz LCLSWEDADCKMAR-XDBZFTIUSA-N 2 1 396.556 4.500 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118211 823834390 /nfs/dbraw/zinc/83/43/90/823834390.db2.gz DUYRHDZHMFYCOO-VQTJNVASSA-N 2 1 384.486 4.432 20 0 GIADMP Cc1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000165599514 823855389 /nfs/dbraw/zinc/85/53/89/823855389.db2.gz YIGQVUKMZWCTGN-HNNXBMFYSA-N 2 1 381.442 4.209 20 0 GIADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313652 823875110 /nfs/dbraw/zinc/87/51/10/823875110.db2.gz RATHIKBATHHYGY-QZTJIDSGSA-N 2 1 392.469 4.224 20 0 GIADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313652 823875116 /nfs/dbraw/zinc/87/51/16/823875116.db2.gz RATHIKBATHHYGY-QZTJIDSGSA-N 2 1 392.469 4.224 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C)c(F)c3)CC2)c1C ZINC000575034536 823895570 /nfs/dbraw/zinc/89/55/70/823895570.db2.gz PSQQGMTVRKCXOH-UHFFFAOYSA-N 2 1 385.527 4.251 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C)c(F)c3)CC2)c1C ZINC000575034536 823895577 /nfs/dbraw/zinc/89/55/77/823895577.db2.gz PSQQGMTVRKCXOH-UHFFFAOYSA-N 2 1 385.527 4.251 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076204 823903044 /nfs/dbraw/zinc/90/30/44/823903044.db2.gz YBKVNKFREURFER-IRLDBZIGSA-N 2 1 378.004 4.374 20 0 GIADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000414108298 823912032 /nfs/dbraw/zinc/91/20/32/823912032.db2.gz GFDAXRFAWKCVKG-GOSISDBHSA-N 2 1 379.504 4.036 20 0 GIADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171665 823922244 /nfs/dbraw/zinc/92/22/44/823922244.db2.gz DKBHCUKWQJMPOK-CHWSQXEVSA-N 2 1 378.410 4.272 20 0 GIADMP Cc1ccc(C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)s1 ZINC000065162413 823955168 /nfs/dbraw/zinc/95/51/68/823955168.db2.gz NDAIKMMKXYARMS-UHFFFAOYSA-N 2 1 399.604 4.179 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000126806827 823956211 /nfs/dbraw/zinc/95/62/11/823956211.db2.gz PJVJKYJAKPGHEP-RBUKOAKNSA-N 2 1 388.577 4.336 20 0 GIADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000126806827 823956219 /nfs/dbraw/zinc/95/62/19/823956219.db2.gz PJVJKYJAKPGHEP-RBUKOAKNSA-N 2 1 388.577 4.336 20 0 GIADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000414340338 823961335 /nfs/dbraw/zinc/96/13/35/823961335.db2.gz MVCHVOQVQSRDHI-RDPSFJRHSA-N 2 1 382.523 4.235 20 0 GIADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)c(C)c3)CC2)nc(C)[nH+]1 ZINC000414373201 823967902 /nfs/dbraw/zinc/96/79/02/823967902.db2.gz YVESLMCMBSWMCX-UHFFFAOYSA-N 2 1 378.442 4.179 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1OC ZINC000126858168 823967972 /nfs/dbraw/zinc/96/79/72/823967972.db2.gz ONTNDNIXOXVWQT-MSOLQXFVSA-N 2 1 388.577 4.466 20 0 GIADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1OC ZINC000126858168 823967979 /nfs/dbraw/zinc/96/79/79/823967979.db2.gz ONTNDNIXOXVWQT-MSOLQXFVSA-N 2 1 388.577 4.466 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039333 /nfs/dbraw/zinc/03/93/33/824039333.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039336 /nfs/dbraw/zinc/03/93/36/824039336.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039338 /nfs/dbraw/zinc/03/93/38/824039338.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 2 1 390.506 4.170 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164838603 720572126 /nfs/dbraw/zinc/57/21/26/720572126.db2.gz OSAYRQLUZPEILX-QZNHQXDQSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164838603 720572138 /nfs/dbraw/zinc/57/21/38/720572138.db2.gz OSAYRQLUZPEILX-QZNHQXDQSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000187536622 823084363 /nfs/dbraw/zinc/08/43/63/823084363.db2.gz YUXPLWAUDHGQTF-UNMCSNQZSA-N 2 1 382.573 4.197 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000570818506 823091373 /nfs/dbraw/zinc/09/13/73/823091373.db2.gz CEBGDPWAQSEBEX-RPWUZVMVSA-N 2 1 392.543 4.422 20 0 GIADMP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121028269 823105612 /nfs/dbraw/zinc/10/56/12/823105612.db2.gz NQYPRYAGJHFINY-GAJHUEQPSA-N 2 1 388.502 4.074 20 0 GIADMP C[N@H+]1CCC[C@]2(CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914375 823106856 /nfs/dbraw/zinc/10/68/56/823106856.db2.gz VGRCSWMRVFZZDW-DEOSSOPVSA-N 2 1 378.564 4.143 20 0 GIADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914375 823106859 /nfs/dbraw/zinc/10/68/59/823106859.db2.gz VGRCSWMRVFZZDW-DEOSSOPVSA-N 2 1 378.564 4.143 20 0 GIADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914375 823106863 /nfs/dbraw/zinc/10/68/63/823106863.db2.gz VGRCSWMRVFZZDW-DEOSSOPVSA-N 2 1 378.564 4.143 20 0 GIADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914375 823106864 /nfs/dbraw/zinc/10/68/64/823106864.db2.gz VGRCSWMRVFZZDW-DEOSSOPVSA-N 2 1 378.564 4.143 20 0 GIADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914375 823106868 /nfs/dbraw/zinc/10/68/68/823106868.db2.gz VGRCSWMRVFZZDW-DEOSSOPVSA-N 2 1 378.564 4.143 20 0 GIADMP CC[N@@H+](CCCC1CC[NH+](Cc2ccncc2F)CC1)Cc1ccncc1F ZINC000459366814 823174028 /nfs/dbraw/zinc/17/40/28/823174028.db2.gz DHRDVONPYXHCTE-UHFFFAOYSA-N 2 1 388.506 4.269 20 0 GIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384844 823179246 /nfs/dbraw/zinc/17/92/46/823179246.db2.gz YEAQHYSEJYKAHA-GHTZIAJQSA-N 2 1 381.568 4.365 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384844 823179247 /nfs/dbraw/zinc/17/92/47/823179247.db2.gz YEAQHYSEJYKAHA-GHTZIAJQSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384844 823179248 /nfs/dbraw/zinc/17/92/48/823179248.db2.gz YEAQHYSEJYKAHA-GHTZIAJQSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384844 823179249 /nfs/dbraw/zinc/17/92/49/823179249.db2.gz YEAQHYSEJYKAHA-GHTZIAJQSA-N 2 1 381.568 4.365 20 0 GIADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459403478 823185208 /nfs/dbraw/zinc/18/52/08/823185208.db2.gz BVAGHSZZIRNYTB-MQSCRBSSSA-N 2 1 397.588 4.287 20 0 GIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459463349 823197625 /nfs/dbraw/zinc/19/76/25/823197625.db2.gz LDFAZDNLUGKGDX-UHFFFAOYSA-N 2 1 377.326 4.285 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459463349 823197629 /nfs/dbraw/zinc/19/76/29/823197629.db2.gz LDFAZDNLUGKGDX-UHFFFAOYSA-N 2 1 377.326 4.285 20 0 GIADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459539688 823215518 /nfs/dbraw/zinc/21/55/18/823215518.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 2 1 379.552 4.117 20 0 GIADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459539688 823215523 /nfs/dbraw/zinc/21/55/23/823215523.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 2 1 379.552 4.117 20 0 GIADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459539688 823215526 /nfs/dbraw/zinc/21/55/26/823215526.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 2 1 379.552 4.117 20 0 GIADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459539688 823215529 /nfs/dbraw/zinc/21/55/29/823215529.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 2 1 379.552 4.117 20 0 GIADMP CC(C)OC1CC([NH+]2CCCC3(CCC[N@H+](C4CC(OC(C)C)C4)C3)C2)C1 ZINC000459542232 823215880 /nfs/dbraw/zinc/21/58/80/823215880.db2.gz XMAZSLBNLJDKNZ-UHFFFAOYSA-N 2 1 378.601 4.076 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000188520544 823255448 /nfs/dbraw/zinc/25/54/48/823255448.db2.gz XTHNBEPKOXOLIJ-HNNXBMFYSA-N 2 1 380.458 4.106 20 0 GIADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000409638267 823269609 /nfs/dbraw/zinc/26/96/09/823269609.db2.gz KHHLESUKOOOLOA-UHFFFAOYSA-N 2 1 399.966 4.074 20 0 GIADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000409638267 823269612 /nfs/dbraw/zinc/26/96/12/823269612.db2.gz KHHLESUKOOOLOA-UHFFFAOYSA-N 2 1 399.966 4.074 20 0 GIADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(OC)c1OCc1ccccc1 ZINC000015569239 818339795 /nfs/dbraw/zinc/33/97/95/818339795.db2.gz SQGJHHBIDGRLBZ-UHFFFAOYSA-N 2 1 398.547 4.245 20 0 GIADMP C[C@@H](O)[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929204 823329580 /nfs/dbraw/zinc/32/95/80/823329580.db2.gz XLQWUFWDSAZAFM-CJFMBICVSA-N 2 1 398.566 4.052 20 0 GIADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)O[C@H](C)C2 ZINC000015594500 818344428 /nfs/dbraw/zinc/34/44/28/818344428.db2.gz BWSVJWUKUAKBAJ-GOSISDBHSA-N 2 1 380.532 4.294 20 0 GIADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523038 823353975 /nfs/dbraw/zinc/35/39/75/823353975.db2.gz SHUPIOXXBHYJKW-SFHVURJKSA-N 2 1 394.950 4.293 20 0 GIADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523038 823353979 /nfs/dbraw/zinc/35/39/79/823353979.db2.gz SHUPIOXXBHYJKW-SFHVURJKSA-N 2 1 394.950 4.293 20 0 GIADMP COCCC1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCCC1 ZINC000189192302 823373458 /nfs/dbraw/zinc/37/34/58/823373458.db2.gz YYFWRLYBZRHUIP-UHFFFAOYSA-N 2 1 377.573 4.080 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000572719363 823388486 /nfs/dbraw/zinc/38/84/86/823388486.db2.gz XOGSAWRLDWRIKN-IIBYNOLFSA-N 2 1 376.504 4.084 20 0 GIADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310419 823391837 /nfs/dbraw/zinc/39/18/37/823391837.db2.gz CZBAJHCNKPJWTG-QZTJIDSGSA-N 2 1 390.877 4.216 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979057 823429298 /nfs/dbraw/zinc/42/92/98/823429298.db2.gz QXBYVGBVDVOJLZ-VWNXMTODSA-N 2 1 378.560 4.468 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979057 823429300 /nfs/dbraw/zinc/42/93/00/823429300.db2.gz QXBYVGBVDVOJLZ-VWNXMTODSA-N 2 1 378.560 4.468 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170685 823459434 /nfs/dbraw/zinc/45/94/34/823459434.db2.gz HRKTWNCUHKIDPL-UNMCSNQZSA-N 2 1 389.547 4.220 20 0 GIADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247751 823470389 /nfs/dbraw/zinc/47/03/89/823470389.db2.gz KVWJPMHUFAYFDX-OAQYLSRUSA-N 2 1 380.532 4.033 20 0 GIADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247751 823470397 /nfs/dbraw/zinc/47/03/97/823470397.db2.gz KVWJPMHUFAYFDX-OAQYLSRUSA-N 2 1 380.532 4.033 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490222 823474786 /nfs/dbraw/zinc/47/47/86/823474786.db2.gz WCDHSTLKOXJAOQ-IRXDYDNUSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512320 823480016 /nfs/dbraw/zinc/48/00/16/823480016.db2.gz TZBCJDBBXMIKPM-OALUTQOASA-N 2 1 383.536 4.053 20 0 GIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000177562849 823491758 /nfs/dbraw/zinc/49/17/58/823491758.db2.gz SMMANGCQPYGGDV-UHFFFAOYSA-N 2 1 396.579 4.278 20 0 GIADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000123603432 823525119 /nfs/dbraw/zinc/52/51/19/823525119.db2.gz HUXHMAGQIOODKL-UHFFFAOYSA-N 2 1 396.457 4.309 20 0 GIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000042207477 821284499 /nfs/dbraw/zinc/28/44/99/821284499.db2.gz WBOODOIOZDMUHU-UHFFFAOYSA-N 2 1 389.547 4.144 20 0 GIADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180988676 821577248 /nfs/dbraw/zinc/57/72/48/821577248.db2.gz OXBONKYIXREFQL-OAQYLSRUSA-N 2 1 392.499 4.318 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180988676 821577250 /nfs/dbraw/zinc/57/72/50/821577250.db2.gz OXBONKYIXREFQL-OAQYLSRUSA-N 2 1 392.499 4.318 20 0 GIADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995407 821582345 /nfs/dbraw/zinc/58/23/45/821582345.db2.gz IUELRIQOJSWDPN-SFHVURJKSA-N 2 1 398.453 4.081 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995407 821582349 /nfs/dbraw/zinc/58/23/49/821582349.db2.gz IUELRIQOJSWDPN-SFHVURJKSA-N 2 1 398.453 4.081 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)(F)F ZINC000181417020 821814857 /nfs/dbraw/zinc/81/48/57/821814857.db2.gz OIFFOLROMXYGFT-WBAXXEDZSA-N 2 1 386.458 4.004 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000181588414 821892173 /nfs/dbraw/zinc/89/21/73/821892173.db2.gz YVIYMBNKJSLGRD-RTBURBONSA-N 2 1 389.547 4.452 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000181588376 821892322 /nfs/dbraw/zinc/89/23/22/821892322.db2.gz YVIYMBNKJSLGRD-MOPGFXCFSA-N 2 1 389.547 4.452 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000181736988 821969342 /nfs/dbraw/zinc/96/93/42/821969342.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000181736988 821969349 /nfs/dbraw/zinc/96/93/49/821969349.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736988 821969357 /nfs/dbraw/zinc/96/93/57/821969357.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736988 821969365 /nfs/dbraw/zinc/96/93/65/821969365.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 2 1 399.623 4.256 20 0 GIADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740819 821971310 /nfs/dbraw/zinc/97/13/10/821971310.db2.gz BEOBROLPYQCJLS-SFTDATJTSA-N 2 1 389.584 4.221 20 0 GIADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740841 821971499 /nfs/dbraw/zinc/97/14/99/821971499.db2.gz BEOBROLPYQCJLS-NHCUHLMSSA-N 2 1 389.584 4.221 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241133 822162642 /nfs/dbraw/zinc/16/26/42/822162642.db2.gz GVRYPUUESIDFHM-OXJNMPFZSA-N 2 1 390.474 4.096 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261609 822175301 /nfs/dbraw/zinc/17/53/01/822175301.db2.gz QAERRZZPCWGCDD-URXFXBBRSA-N 2 1 382.523 4.413 20 0 GIADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177979612 822268131 /nfs/dbraw/zinc/26/81/31/822268131.db2.gz PDBJRURXCQOJLG-SFHVURJKSA-N 2 1 383.536 4.042 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4ccccc4n3)CC2)oc1C ZINC000178106219 822322040 /nfs/dbraw/zinc/32/20/40/822322040.db2.gz FXSGTJOLEUJCOJ-QGZVFWFLSA-N 2 1 378.520 4.402 20 0 GIADMP COCCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000178699695 822403835 /nfs/dbraw/zinc/40/38/35/822403835.db2.gz ODDURQIXGAQDLJ-BEFAXECRSA-N 2 1 394.357 4.348 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140434 822429768 /nfs/dbraw/zinc/42/97/68/822429768.db2.gz BBAPELHLIQUOQF-ZWKOTPCHSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142926 822430550 /nfs/dbraw/zinc/43/05/50/822430550.db2.gz RBFIDHNVMQZFMT-KBPBESRZSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391888 822476033 /nfs/dbraw/zinc/47/60/33/822476033.db2.gz LTXBSLGWVSOUST-UHFFFAOYSA-N 2 1 394.563 4.184 20 0 GIADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687288 822511379 /nfs/dbraw/zinc/51/13/79/822511379.db2.gz VKSVIAQZRNJVFP-SJORKVTESA-N 2 1 392.503 4.176 20 0 GIADMP CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688079 822511546 /nfs/dbraw/zinc/51/15/46/822511546.db2.gz AHWCOJPIYMNZJN-DLBZAZTESA-N 2 1 376.504 4.421 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183822602 822532334 /nfs/dbraw/zinc/53/23/34/822532334.db2.gz WHADGDPRIUENJU-UHFFFAOYSA-N 2 1 392.341 4.278 20 0 GIADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953516 822553167 /nfs/dbraw/zinc/55/31/67/822553167.db2.gz PCZWSQRVGWZTFG-GOSISDBHSA-N 2 1 392.609 4.176 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000047351534 822569919 /nfs/dbraw/zinc/56/99/19/822569919.db2.gz IUZDXSNUMMJBKQ-UHFFFAOYSA-N 2 1 384.568 4.011 20 0 GIADMP CCN1CC[NH+](CCCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180110260 822617460 /nfs/dbraw/zinc/61/74/60/822617460.db2.gz RIBAALZOLMKQRE-UHFFFAOYSA-N 2 1 387.518 4.062 20 0 GIADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402103 822676014 /nfs/dbraw/zinc/67/60/14/822676014.db2.gz CDIVQVCGNQKUAS-FXAWDEMLSA-N 2 1 378.532 4.297 20 0 GIADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184688976 822676915 /nfs/dbraw/zinc/67/69/15/822676915.db2.gz JRFZOAJXWJTYRU-UHFFFAOYSA-N 2 1 393.575 4.057 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000048750372 822681379 /nfs/dbraw/zinc/68/13/79/822681379.db2.gz XDBQVOWKDHOMQX-UHFFFAOYSA-N 2 1 377.517 4.286 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455891570 822743357 /nfs/dbraw/zinc/74/33/57/822743357.db2.gz BUZPQGDGLCSLRX-MSYCTHLASA-N 2 1 398.595 4.354 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455891573 822743382 /nfs/dbraw/zinc/74/33/82/822743382.db2.gz BUZPQGDGLCSLRX-SELNLUPBSA-N 2 1 398.595 4.354 20 0 GIADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455922500 822750041 /nfs/dbraw/zinc/75/00/41/822750041.db2.gz MCLVEHQVQCUNLJ-JOCHJYFZSA-N 2 1 380.536 4.009 20 0 GIADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455931824 822751946 /nfs/dbraw/zinc/75/19/46/822751946.db2.gz PUYXXOUAZJSSEF-QFIPXVFZSA-N 2 1 386.584 4.211 20 0 GIADMP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000174357914 822777331 /nfs/dbraw/zinc/77/73/31/822777331.db2.gz UQGRBSWNIKZRGD-UHFFFAOYSA-N 2 1 390.531 4.096 20 0 GIADMP CN(C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400421 822784642 /nfs/dbraw/zinc/78/46/42/822784642.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 2 1 392.465 4.193 20 0 GIADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400421 822784644 /nfs/dbraw/zinc/78/46/44/822784644.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 2 1 392.465 4.193 20 0 GIADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400421 822784646 /nfs/dbraw/zinc/78/46/46/822784646.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 2 1 392.465 4.193 20 0 GIADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400421 822784648 /nfs/dbraw/zinc/78/46/48/822784648.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 2 1 392.465 4.193 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663356 822808129 /nfs/dbraw/zinc/80/81/29/822808129.db2.gz PLGIATJFHKNLQM-PZJWPPBQSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663356 822808132 /nfs/dbraw/zinc/80/81/32/822808132.db2.gz PLGIATJFHKNLQM-PZJWPPBQSA-N 2 1 385.596 4.056 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674223 822808824 /nfs/dbraw/zinc/80/88/24/822808824.db2.gz MPUZWJCWVAVYNI-CABCVRRESA-N 2 1 397.535 4.182 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674223 822808827 /nfs/dbraw/zinc/80/88/27/822808827.db2.gz MPUZWJCWVAVYNI-CABCVRRESA-N 2 1 397.535 4.182 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678482 822809443 /nfs/dbraw/zinc/80/94/43/822809443.db2.gz OMLJSIFXKBKYCJ-WSTZPKSXSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678482 822809446 /nfs/dbraw/zinc/80/94/46/822809446.db2.gz OMLJSIFXKBKYCJ-WSTZPKSXSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768810 822819599 /nfs/dbraw/zinc/81/95/99/822819599.db2.gz QIMHUDGQHOKTOY-HOTGVXAUSA-N 2 1 381.358 4.071 20 0 GIADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCS2 ZINC000186944800 822984619 /nfs/dbraw/zinc/98/46/19/822984619.db2.gz DCVUAGABTGIXQQ-JOCHJYFZSA-N 2 1 382.573 4.462 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411217542 823557897 /nfs/dbraw/zinc/55/78/97/823557897.db2.gz ACRVCZLEXDWVGV-UHFFFAOYSA-N 2 1 393.575 4.396 20 0 GIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124123351 823569572 /nfs/dbraw/zinc/56/95/72/823569572.db2.gz RMNGWUDPUCVZCL-NRFANRHFSA-N 2 1 377.467 4.102 20 0 GIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000461107079 823578783 /nfs/dbraw/zinc/57/87/83/823578783.db2.gz IQTTVMMYPKNZPR-UAAMJZOTSA-N 2 1 386.580 4.245 20 0 GIADMP CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411508689 823582386 /nfs/dbraw/zinc/58/23/86/823582386.db2.gz BFVPMYCOTQGZOC-OAQYLSRUSA-N 2 1 377.536 4.346 20 0 GIADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(Br)cn1 ZINC000411534292 823585769 /nfs/dbraw/zinc/58/57/69/823585769.db2.gz PCESJOIUNXPFKI-HZPDHXFCSA-N 2 1 388.353 4.090 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)C[C@H](C)O1 ZINC000124626175 823612271 /nfs/dbraw/zinc/61/22/71/823612271.db2.gz ZZTYTLQGQPIHKJ-SELNLUPBSA-N 2 1 380.532 4.299 20 0 GIADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473642 823644082 /nfs/dbraw/zinc/64/40/82/823644082.db2.gz VDTRNRIEMBMKTE-GOTSBHOMSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000461473642 823644084 /nfs/dbraw/zinc/64/40/84/823644084.db2.gz VDTRNRIEMBMKTE-GOTSBHOMSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000461473642 823644085 /nfs/dbraw/zinc/64/40/85/823644085.db2.gz VDTRNRIEMBMKTE-GOTSBHOMSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473644 823644104 /nfs/dbraw/zinc/64/41/04/823644104.db2.gz VDTRNRIEMBMKTE-XZOQPEGZSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000461473644 823644107 /nfs/dbraw/zinc/64/41/07/823644107.db2.gz VDTRNRIEMBMKTE-XZOQPEGZSA-N 2 1 397.607 4.060 20 0 GIADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000461473644 823644110 /nfs/dbraw/zinc/64/41/10/823644110.db2.gz VDTRNRIEMBMKTE-XZOQPEGZSA-N 2 1 397.607 4.060 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195858 823658438 /nfs/dbraw/zinc/65/84/38/823658438.db2.gz NPRKQSRCJLRDTB-MOPGFXCFSA-N 2 1 375.520 4.144 20 0 GIADMP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc3)nc12 ZINC000063313107 823662001 /nfs/dbraw/zinc/66/20/01/823662001.db2.gz JHRYZQIIFOKVHU-UHFFFAOYSA-N 2 1 380.536 4.042 20 0 GIADMP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc3)nc12 ZINC000063313107 823662004 /nfs/dbraw/zinc/66/20/04/823662004.db2.gz JHRYZQIIFOKVHU-UHFFFAOYSA-N 2 1 380.536 4.042 20 0 GIADMP CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461732591 823688910 /nfs/dbraw/zinc/68/89/10/823688910.db2.gz ZIOHJFDDSTXCDH-HXUWFJFHSA-N 2 1 388.600 4.074 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491691 823690818 /nfs/dbraw/zinc/69/08/18/823690818.db2.gz CMIBQKYSZLKMTO-HNNXBMFYSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491691 823690821 /nfs/dbraw/zinc/69/08/21/823690821.db2.gz CMIBQKYSZLKMTO-HNNXBMFYSA-N 2 1 396.457 4.204 20 0 GIADMP Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)[nH+]c1 ZINC000163500842 823716108 /nfs/dbraw/zinc/71/61/08/823716108.db2.gz QSDOPDFRKYUBJW-UHFFFAOYSA-N 2 1 398.982 4.266 20 0 GIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000574393424 823718339 /nfs/dbraw/zinc/71/83/39/823718339.db2.gz WLTZNISPWKRLKH-NUNAXRQHSA-N 2 1 377.532 4.320 20 0 GIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000574393424 823718344 /nfs/dbraw/zinc/71/83/44/823718344.db2.gz WLTZNISPWKRLKH-NUNAXRQHSA-N 2 1 377.532 4.320 20 0 GIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163970691 823767190 /nfs/dbraw/zinc/76/71/90/823767190.db2.gz QNASUROEAHPCDM-IBGZPJMESA-N 2 1 398.547 4.036 20 0 GIADMP CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562333 823767635 /nfs/dbraw/zinc/76/76/35/823767635.db2.gz CIHPWJCCVHZCDM-JPYJTQIMSA-N 2 1 390.531 4.269 20 0 GIADMP CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562333 823767639 /nfs/dbraw/zinc/76/76/39/823767639.db2.gz CIHPWJCCVHZCDM-JPYJTQIMSA-N 2 1 390.531 4.269 20 0 GIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000163976821 823767843 /nfs/dbraw/zinc/76/78/43/823767843.db2.gz FYKIISWDHYCUIE-SFHVURJKSA-N 2 1 386.536 4.182 20 0 GIADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461984990 823782922 /nfs/dbraw/zinc/78/29/22/823782922.db2.gz FNFMJUFFNDPTIB-XMMPIXPASA-N 2 1 391.559 4.318 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000164400001 823800473 /nfs/dbraw/zinc/80/04/73/823800473.db2.gz IUYMVTWILVHWGF-UHFFFAOYSA-N 2 1 398.547 4.344 20 0 GIADMP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166490021 823878463 /nfs/dbraw/zinc/87/84/63/823878463.db2.gz RVEIKQONUATSTI-SJBKTWHCSA-N 2 1 378.495 4.133 20 0 GIADMP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166490021 823878468 /nfs/dbraw/zinc/87/84/68/823878468.db2.gz RVEIKQONUATSTI-SJBKTWHCSA-N 2 1 378.495 4.133 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059447 823897928 /nfs/dbraw/zinc/89/79/28/823897928.db2.gz IPRVNMHVOAKTAF-IRLDBZIGSA-N 2 1 378.004 4.374 20 0 GIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414172233 823922872 /nfs/dbraw/zinc/92/28/72/823922872.db2.gz DNHOFFKPFXAEKV-UZLBHIALSA-N 2 1 395.385 4.238 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccsc2S1 ZINC000126682552 823926395 /nfs/dbraw/zinc/92/63/95/823926395.db2.gz VHKKCJNQNCDQMV-OXJNMPFZSA-N 2 1 387.618 4.211 20 0 GIADMP CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000575401186 823967681 /nfs/dbraw/zinc/96/76/81/823967681.db2.gz MOMNWYFXYQTLOI-QHCPKHFHSA-N 2 1 382.573 4.408 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126880115 823972951 /nfs/dbraw/zinc/97/29/51/823972951.db2.gz OHLGKQPFVXPZNT-RTBURBONSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126880115 823972955 /nfs/dbraw/zinc/97/29/55/823972955.db2.gz OHLGKQPFVXPZNT-RTBURBONSA-N 2 1 397.588 4.438 20 0 GIADMP CCC[N@H+](CCc1ncc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000575919461 824029640 /nfs/dbraw/zinc/02/96/40/824029640.db2.gz HXWHUNUTEKEASE-UHFFFAOYSA-N 2 1 381.568 4.029 20 0 GIADMP CCC[N@@H+](CCc1ncc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000575919461 824029644 /nfs/dbraw/zinc/02/96/44/824029644.db2.gz HXWHUNUTEKEASE-UHFFFAOYSA-N 2 1 381.568 4.029 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414915227 824049519 /nfs/dbraw/zinc/04/95/19/824049519.db2.gz ZFAYWTICHZHLGG-QGZVFWFLSA-N 2 1 391.519 4.396 20 0 GIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1 ZINC001164386904 718815883 /nfs/dbraw/zinc/81/58/83/718815883.db2.gz BVVVPTZPJNBEPS-HKUYNNGSSA-N 2 1 396.501 4.139 20 0 GIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]c(C)cc4[nH]ccc42)CC3)cs1 ZINC001164692958 719809592 /nfs/dbraw/zinc/80/95/92/719809592.db2.gz OLOMNENCJSRIIK-UHFFFAOYSA-N 2 1 381.549 4.271 20 0 GIADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164845444 720696929 /nfs/dbraw/zinc/69/69/29/720696929.db2.gz ZYLCKMSRMBLAGE-JOCHJYFZSA-N 2 1 377.532 4.219 20 0 GIADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164845444 720696942 /nfs/dbraw/zinc/69/69/42/720696942.db2.gz ZYLCKMSRMBLAGE-JOCHJYFZSA-N 2 1 377.532 4.219 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995625 722204283 /nfs/dbraw/zinc/20/42/83/722204283.db2.gz OSASCPOJGZLUHW-QHCPKHFHSA-N 2 1 380.511 4.066 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357001 823048856 /nfs/dbraw/zinc/04/88/56/823048856.db2.gz OYGLLODBWARIKQ-GOEBONIOSA-N 2 1 381.358 4.200 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357001 823048863 /nfs/dbraw/zinc/04/88/63/823048863.db2.gz OYGLLODBWARIKQ-GOEBONIOSA-N 2 1 381.358 4.200 20 0 GIADMP C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120796750 823065829 /nfs/dbraw/zinc/06/58/29/823065829.db2.gz HYUCLYSAYKQMEL-RDPSFJRHSA-N 2 1 381.564 4.115 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459365329 823173397 /nfs/dbraw/zinc/17/33/97/823173397.db2.gz ASKDEHURMPAUAX-FQEVSTJZSA-N 3 1 378.564 4.215 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459378952 823177511 /nfs/dbraw/zinc/17/75/11/823177511.db2.gz RYMZDLHSAYZMDF-UHFFFAOYSA-N 2 1 395.591 4.178 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459376043 823176570 /nfs/dbraw/zinc/17/65/70/823176570.db2.gz ZPZQZTNJUNKVOO-UHFFFAOYSA-N 2 1 394.588 4.378 20 0 GIADMP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1Br ZINC000459385280 823179575 /nfs/dbraw/zinc/17/95/75/823179575.db2.gz XEOJEVFUZMATLZ-UHFFFAOYSA-N 2 1 389.337 4.430 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121509179 823197215 /nfs/dbraw/zinc/19/72/15/823197215.db2.gz HDDILVHWUXPSMI-VXGBXAGGSA-N 2 1 389.393 4.381 20 0 GIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545045 823198563 /nfs/dbraw/zinc/19/85/63/823198563.db2.gz NURBCKLCEVIHIU-DNVCBOLYSA-N 2 1 386.458 4.127 20 0 GIADMP Clc1cc(Br)ccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459592905 823226705 /nfs/dbraw/zinc/22/67/05/823226705.db2.gz PNQSQXSIBYMAFB-UHFFFAOYSA-N 2 1 383.761 4.351 20 0 GIADMP COc1cc(Cl)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1Cl ZINC000571836176 823242247 /nfs/dbraw/zinc/24/22/47/823242247.db2.gz ZAMQZMYRMBWPEW-UHFFFAOYSA-N 2 1 398.334 4.017 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813593 823256650 /nfs/dbraw/zinc/25/66/50/823256650.db2.gz YCCATQOXPALKRF-LJQANCHMSA-N 2 1 391.559 4.393 20 0 GIADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000189004596 823340865 /nfs/dbraw/zinc/34/08/65/823340865.db2.gz RDUZQJKVMRZOGB-UHFFFAOYSA-N 2 1 398.856 4.481 20 0 GIADMP C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017314100 818508834 /nfs/dbraw/zinc/50/88/34/818508834.db2.gz MJYJHNMEUHONJF-UHFFFAOYSA-N 2 1 394.950 4.436 20 0 GIADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000460343756 823359219 /nfs/dbraw/zinc/35/92/19/823359219.db2.gz RJJFBUJOZNILGD-CYGODWOOSA-N 2 1 399.966 4.333 20 0 GIADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000460343756 823359223 /nfs/dbraw/zinc/35/92/23/823359223.db2.gz RJJFBUJOZNILGD-CYGODWOOSA-N 2 1 399.966 4.333 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460361668 823363837 /nfs/dbraw/zinc/36/38/37/823363837.db2.gz HQSVQAATTNMJQY-IAGOWNOFSA-N 2 1 399.966 4.333 20 0 GIADMP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000410012592 823371086 /nfs/dbraw/zinc/37/10/86/823371086.db2.gz CXEWWXNBZDFIFA-LJQANCHMSA-N 2 1 386.584 4.305 20 0 GIADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762546 823407902 /nfs/dbraw/zinc/40/79/02/823407902.db2.gz DFRDNAGDYCSRKN-SFHVURJKSA-N 2 1 392.547 4.070 20 0 GIADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762546 823407904 /nfs/dbraw/zinc/40/79/04/823407904.db2.gz DFRDNAGDYCSRKN-SFHVURJKSA-N 2 1 392.547 4.070 20 0 GIADMP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000189501524 823432207 /nfs/dbraw/zinc/43/22/07/823432207.db2.gz FLLIYLIVUBKFNO-UHFFFAOYSA-N 2 1 397.567 4.395 20 0 GIADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC3 ZINC000123002017 823446699 /nfs/dbraw/zinc/44/66/99/823446699.db2.gz GYNAJDQKRWEJBD-HXUWFJFHSA-N 2 1 389.543 4.288 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100721 823447484 /nfs/dbraw/zinc/44/74/84/823447484.db2.gz IOCNIIKOVVATHO-SPEDKVCISA-N 2 1 377.532 4.275 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100721 823447486 /nfs/dbraw/zinc/44/74/86/823447486.db2.gz IOCNIIKOVVATHO-SPEDKVCISA-N 2 1 377.532 4.275 20 0 GIADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000030640113 820656362 /nfs/dbraw/zinc/65/63/62/820656362.db2.gz PXEIBCLWDOUKBJ-UHFFFAOYSA-N 2 1 392.547 4.368 20 0 GIADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000030640113 820656370 /nfs/dbraw/zinc/65/63/70/820656370.db2.gz PXEIBCLWDOUKBJ-UHFFFAOYSA-N 2 1 392.547 4.368 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907176 820706574 /nfs/dbraw/zinc/70/65/74/820706574.db2.gz MADBJECDMIGEKN-KRWDZBQOSA-N 2 1 383.923 4.166 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000177851419 823536373 /nfs/dbraw/zinc/53/63/73/823536373.db2.gz GWGHEOYXEUJMHN-HNNXBMFYSA-N 2 1 382.895 4.432 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000043190703 821376905 /nfs/dbraw/zinc/37/69/05/821376905.db2.gz FTDYTUBRGNANGZ-UHFFFAOYSA-N 2 1 397.567 4.441 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000180645270 821380643 /nfs/dbraw/zinc/38/06/43/821380643.db2.gz WUZQDVFMENIZMI-KDOFPFPSSA-N 2 1 379.331 4.411 20 0 GIADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180987111 821576615 /nfs/dbraw/zinc/57/66/15/821576615.db2.gz AVWLOTBDOIDLEN-QFIPXVFZSA-N 2 1 394.490 4.332 20 0 GIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180987111 821576619 /nfs/dbraw/zinc/57/66/19/821576619.db2.gz AVWLOTBDOIDLEN-QFIPXVFZSA-N 2 1 394.490 4.332 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405317 821809115 /nfs/dbraw/zinc/80/91/15/821809115.db2.gz WZHAQZKWQXTDBU-WBVHZDCISA-N 2 1 393.622 4.265 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405317 821809125 /nfs/dbraw/zinc/80/91/25/821809125.db2.gz WZHAQZKWQXTDBU-WBVHZDCISA-N 2 1 393.622 4.265 20 0 GIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518418 821864383 /nfs/dbraw/zinc/86/43/83/821864383.db2.gz NZNJFRFHTIYPDJ-DLBZAZTESA-N 2 1 399.501 4.380 20 0 GIADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181659972 821928564 /nfs/dbraw/zinc/92/85/64/821928564.db2.gz NFWRIPXELKGYPX-YLJYHZDGSA-N 2 1 397.544 4.084 20 0 GIADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774922 821987657 /nfs/dbraw/zinc/98/76/57/821987657.db2.gz DELJBHWYZMARAX-AUUYWEPGSA-N 2 1 399.348 4.130 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCOc4cc(F)ccc43)CC2)oc1C ZINC000182077491 822083619 /nfs/dbraw/zinc/08/36/19/822083619.db2.gz PFRZQIQRECUXAM-FQEVSTJZSA-N 2 1 387.499 4.146 20 0 GIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258310 822173231 /nfs/dbraw/zinc/17/32/31/822173231.db2.gz NUEUEVOYZNSDSB-IZZNHLLZSA-N 2 1 386.539 4.441 20 0 GIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260197 822173839 /nfs/dbraw/zinc/17/38/39/822173839.db2.gz POFSHNVLVNEUGG-LADGPHEKSA-N 2 1 394.559 4.380 20 0 GIADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182268067 822179111 /nfs/dbraw/zinc/17/91/11/822179111.db2.gz PCVAZMRDQDMRGA-UWVAXJGDSA-N 2 1 395.572 4.145 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978077 822266868 /nfs/dbraw/zinc/26/68/68/822266868.db2.gz HEVGGELNRXQNDT-SFHVURJKSA-N 2 1 381.520 4.334 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3sc(C)nc3C)CC2)cs1 ZINC000178092532 822316036 /nfs/dbraw/zinc/31/60/36/822316036.db2.gz TXAZAKMBLLYIKL-CYBMUJFWSA-N 2 1 378.611 4.342 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4ccccc4n3)CC2)oc1C ZINC000178106209 822321803 /nfs/dbraw/zinc/32/18/03/822321803.db2.gz FXSGTJOLEUJCOJ-KRWDZBQOSA-N 2 1 378.520 4.402 20 0 GIADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c2)cc1 ZINC000178113918 822324291 /nfs/dbraw/zinc/32/42/91/822324291.db2.gz YJLMUVJSRLHFAB-UHFFFAOYSA-N 2 1 393.575 4.278 20 0 GIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(Cc3ccccc3C)o2)CC1 ZINC000182751528 822362088 /nfs/dbraw/zinc/36/20/88/822362088.db2.gz BUDBWEFPLIALQG-UHFFFAOYSA-N 2 1 384.568 4.303 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000045122501 822364224 /nfs/dbraw/zinc/36/42/24/822364224.db2.gz AGMKGVFUGOTPQI-UHFFFAOYSA-N 2 1 397.567 4.298 20 0 GIADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806858 822415134 /nfs/dbraw/zinc/41/51/34/822415134.db2.gz SBHKGJBYXKPPOC-LJQANCHMSA-N 2 1 387.568 4.000 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103079 822424558 /nfs/dbraw/zinc/42/45/58/822424558.db2.gz ZCBGWSQFPYVHLD-PXNSSMCTSA-N 2 1 399.583 4.438 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136457 822429057 /nfs/dbraw/zinc/42/90/57/822429057.db2.gz DNOKEXODFQVWNI-SJORKVTESA-N 2 1 394.494 4.018 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140308 822429760 /nfs/dbraw/zinc/42/97/60/822429760.db2.gz XIHVCMQRIWSBSY-QZTJIDSGSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145535 822430975 /nfs/dbraw/zinc/43/09/75/822430975.db2.gz NASRTQDREJRUMZ-UONOGXRCSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000183151498 822431962 /nfs/dbraw/zinc/43/19/62/822431962.db2.gz KNAYQCZVQGNNSL-OAHLLOKOSA-N 2 1 382.895 4.432 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000183179109 822436318 /nfs/dbraw/zinc/43/63/18/822436318.db2.gz DXDWIIRQENHUDD-GOSISDBHSA-N 3 1 375.601 4.451 20 0 GIADMP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183197116 822439834 /nfs/dbraw/zinc/43/98/34/822439834.db2.gz DFJCVRUEMHKYSK-SMVLHYPJSA-N 2 1 379.589 4.065 20 0 GIADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391506 822476043 /nfs/dbraw/zinc/47/60/43/822476043.db2.gz DYIXPVHJUCWLCH-HXUWFJFHSA-N 2 1 394.563 4.264 20 0 GIADMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679856 822510170 /nfs/dbraw/zinc/51/01/70/822510170.db2.gz ZLMBAUKBHKLISL-AOMKIAJQSA-N 2 1 392.503 4.257 20 0 GIADMP CCCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680840 822510446 /nfs/dbraw/zinc/51/04/46/822510446.db2.gz OVJRHPPBIAWFHL-OXQOHEQNSA-N 2 1 395.507 4.325 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180015613 822597058 /nfs/dbraw/zinc/59/70/58/822597058.db2.gz WZIVFMGRFNODKV-FQEVSTJZSA-N 2 1 385.518 4.410 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000180072485 822609669 /nfs/dbraw/zinc/60/96/69/822609669.db2.gz VVGLHUVASXNKRM-HNNXBMFYSA-N 2 1 386.927 4.018 20 0 GIADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000047977642 822623615 /nfs/dbraw/zinc/62/36/15/822623615.db2.gz WDRWLPQABXLYOQ-UHFFFAOYSA-N 2 1 396.457 4.309 20 0 GIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455905322 822746100 /nfs/dbraw/zinc/74/61/00/822746100.db2.gz HFJDOSZIQNYJMA-KGVIQGDOSA-N 2 1 386.584 4.115 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000052208369 822793058 /nfs/dbraw/zinc/79/30/58/822793058.db2.gz IEMBCKLLEPYJHW-UHFFFAOYSA-N 2 1 399.551 4.384 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000052208369 822793061 /nfs/dbraw/zinc/79/30/61/822793061.db2.gz IEMBCKLLEPYJHW-UHFFFAOYSA-N 2 1 399.551 4.384 20 0 GIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000052209144 822793127 /nfs/dbraw/zinc/79/31/27/822793127.db2.gz VLSRLMQSODFWEC-UHFFFAOYSA-N 2 1 386.540 4.079 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000052209144 822793130 /nfs/dbraw/zinc/79/31/30/822793130.db2.gz VLSRLMQSODFWEC-UHFFFAOYSA-N 2 1 386.540 4.079 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722610 822814359 /nfs/dbraw/zinc/81/43/59/822814359.db2.gz QXZDEHOIYQIBEP-HRCADAONSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722610 822814363 /nfs/dbraw/zinc/81/43/63/822814363.db2.gz QXZDEHOIYQIBEP-HRCADAONSA-N 2 1 397.485 4.275 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739647 822816484 /nfs/dbraw/zinc/81/64/84/822816484.db2.gz BXIYCHGAOLLKOI-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739647 822816485 /nfs/dbraw/zinc/81/64/85/822816485.db2.gz BXIYCHGAOLLKOI-UONOGXRCSA-N 2 1 384.351 4.175 20 0 GIADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185745257 822816947 /nfs/dbraw/zinc/81/69/47/822816947.db2.gz RFWWCLHNFKFCAR-VKUXKFIQSA-N 2 1 385.596 4.275 20 0 GIADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185745257 822816950 /nfs/dbraw/zinc/81/69/50/822816950.db2.gz RFWWCLHNFKFCAR-VKUXKFIQSA-N 2 1 385.596 4.275 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791160 822831412 /nfs/dbraw/zinc/83/14/12/822831412.db2.gz MVYJQKNYUJFTHX-INIZCTEOSA-N 2 1 393.959 4.016 20 0 GIADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003224 822868740 /nfs/dbraw/zinc/86/87/40/822868740.db2.gz KCAMPINJHMAIAF-FCHUYYIVSA-N 2 1 379.548 4.099 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000569014690 822870003 /nfs/dbraw/zinc/87/00/03/822870003.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000569014690 822870006 /nfs/dbraw/zinc/87/00/06/822870006.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000569014690 822870010 /nfs/dbraw/zinc/87/00/10/822870010.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 2 1 386.971 4.119 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000569014690 822870014 /nfs/dbraw/zinc/87/00/14/822870014.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 2 1 386.971 4.119 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(Br)ccc1O ZINC000186518021 822907603 /nfs/dbraw/zinc/90/76/03/822907603.db2.gz GHXNIPUIXJFTMR-SOUVJXGZSA-N 2 1 381.358 4.458 20 0 GIADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cc1 ZINC000569362644 822911375 /nfs/dbraw/zinc/91/13/75/822911375.db2.gz LDZBBRXQEAITIO-GASCZTMLSA-N 2 1 392.366 4.004 20 0 GIADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386528 822914393 /nfs/dbraw/zinc/91/43/93/822914393.db2.gz HXFXBISIUCEGGO-VWNXMTODSA-N 2 1 394.559 4.169 20 0 GIADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386528 822914394 /nfs/dbraw/zinc/91/43/94/822914394.db2.gz HXFXBISIUCEGGO-VWNXMTODSA-N 2 1 394.559 4.169 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000186589759 822918670 /nfs/dbraw/zinc/91/86/70/822918670.db2.gz CRMKRURLRCCOKA-MRXNPFEDSA-N 2 1 388.353 4.366 20 0 GIADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc2O1 ZINC000187088551 823009224 /nfs/dbraw/zinc/00/92/24/823009224.db2.gz CRCPJKUUYCEXNU-UHFFFAOYSA-N 2 1 380.532 4.128 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000411429646 823573202 /nfs/dbraw/zinc/57/32/02/823573202.db2.gz RNPCTDDMFZFZQV-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000411429646 823573203 /nfs/dbraw/zinc/57/32/03/823573203.db2.gz RNPCTDDMFZFZQV-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000411429646 823573204 /nfs/dbraw/zinc/57/32/04/823573204.db2.gz RNPCTDDMFZFZQV-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535135 823585745 /nfs/dbraw/zinc/58/57/45/823585745.db2.gz QPIMNYYCPZDGFM-MOJGAOKDSA-N 2 1 390.531 4.025 20 0 GIADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000191187941 823657627 /nfs/dbraw/zinc/65/76/27/823657627.db2.gz YTYKPUSALNXXFV-UHFFFAOYSA-N 2 1 378.520 4.053 20 0 GIADMP COc1ccc2oc(C[NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)cc2c1 ZINC000125402942 823673685 /nfs/dbraw/zinc/67/36/85/823673685.db2.gz LIJJNKOTMYLLBH-UHFFFAOYSA-N 2 1 383.492 4.048 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474153 823688991 /nfs/dbraw/zinc/68/89/91/823688991.db2.gz UQDVLWQXDUZFTB-INIZCTEOSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474153 823688992 /nfs/dbraw/zinc/68/89/92/823688992.db2.gz UQDVLWQXDUZFTB-INIZCTEOSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513078 823694063 /nfs/dbraw/zinc/69/40/63/823694063.db2.gz XLBIXDVMCGMNRT-CQSZACIVSA-N 2 1 386.569 4.122 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513078 823694064 /nfs/dbraw/zinc/69/40/64/823694064.db2.gz XLBIXDVMCGMNRT-CQSZACIVSA-N 2 1 386.569 4.122 20 0 GIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125747263 823703399 /nfs/dbraw/zinc/70/33/99/823703399.db2.gz QJUPPRMQDOBTLN-HOTGVXAUSA-N 2 1 385.474 4.133 20 0 GIADMP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cnn1-c1ccc(F)cc1 ZINC000163477238 823713718 /nfs/dbraw/zinc/71/37/18/823713718.db2.gz LIYJJUCXQAWGNO-KRWDZBQOSA-N 2 1 393.510 4.343 20 0 GIADMP Fc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451573 823733646 /nfs/dbraw/zinc/73/36/46/823733646.db2.gz BAHUUMYOVRANFT-JOCHJYFZSA-N 2 1 396.506 4.022 20 0 GIADMP Fc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451573 823733650 /nfs/dbraw/zinc/73/36/50/823733650.db2.gz BAHUUMYOVRANFT-JOCHJYFZSA-N 2 1 396.506 4.022 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452186 823734536 /nfs/dbraw/zinc/73/45/36/823734536.db2.gz BEXAANIFUGRINX-IBGZPJMESA-N 2 1 389.465 4.430 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452186 823734541 /nfs/dbraw/zinc/73/45/41/823734541.db2.gz BEXAANIFUGRINX-IBGZPJMESA-N 2 1 389.465 4.430 20 0 GIADMP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000125966822 823755571 /nfs/dbraw/zinc/75/55/71/823755571.db2.gz HBNVCHCOXKGRDX-UHFFFAOYSA-N 2 1 381.495 4.042 20 0 GIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000163933498 823762641 /nfs/dbraw/zinc/76/26/41/823762641.db2.gz ACKJHLFTKSKKQV-SFHVURJKSA-N 2 1 388.577 4.397 20 0 GIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000574558762 823766310 /nfs/dbraw/zinc/76/63/10/823766310.db2.gz OQORENNRVALYRN-IBGZPJMESA-N 2 1 386.971 4.306 20 0 GIADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041455 823772684 /nfs/dbraw/zinc/77/26/84/823772684.db2.gz HTUIPHFQGKSJQN-GOSISDBHSA-N 2 1 395.547 4.194 20 0 GIADMP Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126294782 823832307 /nfs/dbraw/zinc/83/23/07/823832307.db2.gz DQKFINHQZKVRJP-DHIUTWEWSA-N 2 1 386.486 4.092 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330944 823844046 /nfs/dbraw/zinc/84/40/46/823844046.db2.gz ZEZXGAGIVZCJPD-ZJSXRUAMSA-N 2 1 388.559 4.147 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330944 823844050 /nfs/dbraw/zinc/84/40/50/823844050.db2.gz ZEZXGAGIVZCJPD-ZJSXRUAMSA-N 2 1 388.559 4.147 20 0 GIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137172 823870441 /nfs/dbraw/zinc/87/04/41/823870441.db2.gz IWXVGEFTBSYSFK-RDGATRHJSA-N 2 1 378.560 4.451 20 0 GIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000166483778 823878626 /nfs/dbraw/zinc/87/86/26/823878626.db2.gz RGEUZQIRBYEJNF-ARNLJNQMSA-N 2 1 378.560 4.309 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581519 823879657 /nfs/dbraw/zinc/87/96/57/823879657.db2.gz QYJUWFQYJPQTID-FYYLOGMGSA-N 2 1 397.563 4.261 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000575023573 823891251 /nfs/dbraw/zinc/89/12/51/823891251.db2.gz QCVUTKTWMUIGKE-GOSISDBHSA-N 2 1 392.547 4.028 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076207 823903069 /nfs/dbraw/zinc/90/30/69/823903069.db2.gz YBKVNKFREURFER-RBBKRZOGSA-N 2 1 378.004 4.374 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000575140211 823921725 /nfs/dbraw/zinc/92/17/25/823921725.db2.gz KKPJUDFUMRUNQM-GOSISDBHSA-N 2 1 388.515 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791034 823952060 /nfs/dbraw/zinc/95/20/60/823952060.db2.gz ZSIBZASLDKMAAW-MSOLQXFVSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791034 823952067 /nfs/dbraw/zinc/95/20/67/823952067.db2.gz ZSIBZASLDKMAAW-MSOLQXFVSA-N 2 1 399.560 4.268 20 0 GIADMP c1csc(C[N@@H+]2CCC[C@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803563 823955336 /nfs/dbraw/zinc/95/53/36/823955336.db2.gz IFBSVAUJZFZWLM-JOCHJYFZSA-N 2 1 397.632 4.257 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838905 823963450 /nfs/dbraw/zinc/96/34/50/823963450.db2.gz XUFANAKTFSQJOK-MOPGFXCFSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838905 823963454 /nfs/dbraw/zinc/96/34/54/823963454.db2.gz XUFANAKTFSQJOK-MOPGFXCFSA-N 2 1 397.588 4.438 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1OC ZINC000126858414 823968118 /nfs/dbraw/zinc/96/81/18/823968118.db2.gz ONTNDNIXOXVWQT-ZWKOTPCHSA-N 2 1 388.577 4.466 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1OC ZINC000126858414 823968126 /nfs/dbraw/zinc/96/81/26/823968126.db2.gz ONTNDNIXOXVWQT-ZWKOTPCHSA-N 2 1 388.577 4.466 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cs1 ZINC000126864568 823969425 /nfs/dbraw/zinc/96/94/25/823969425.db2.gz DMNIUDFURANPAZ-NRFANRHFSA-N 2 1 395.576 4.020 20 0 GIADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000414427519 823982971 /nfs/dbraw/zinc/98/29/71/823982971.db2.gz JQOZOOFUMQYGFR-HXUWFJFHSA-N 2 1 392.465 4.260 20 0 GIADMP CCCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000414719168 824026613 /nfs/dbraw/zinc/02/66/13/824026613.db2.gz XMYAVJVGILTJME-UHFFFAOYSA-N 2 1 386.584 4.447 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414903782 824047962 /nfs/dbraw/zinc/04/79/62/824047962.db2.gz MEJUNFHNQMFUHZ-HXUWFJFHSA-N 2 1 383.540 4.084 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000414920077 824050073 /nfs/dbraw/zinc/05/00/73/824050073.db2.gz YLGMCAPCHCXJTK-UHFFFAOYSA-N 2 1 397.567 4.428 20 0 GIADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121028435 823105593 /nfs/dbraw/zinc/10/55/93/823105593.db2.gz NQYPRYAGJHFINY-UZUQRXQVSA-N 2 1 388.502 4.074 20 0 GIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121028093 823105624 /nfs/dbraw/zinc/10/56/24/823105624.db2.gz NQYPRYAGJHFINY-HXOBKFHXSA-N 2 1 388.502 4.074 20 0 GIADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCCS2 ZINC000187705308 823116875 /nfs/dbraw/zinc/11/68/75/823116875.db2.gz JANDNKQCKOFKTA-QFIPXVFZSA-N 2 1 398.572 4.244 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009013 823171346 /nfs/dbraw/zinc/17/13/46/823171346.db2.gz MTPUYKLYEIVDJC-RDTXWAMCSA-N 2 1 379.913 4.482 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009013 823171349 /nfs/dbraw/zinc/17/13/49/823171349.db2.gz MTPUYKLYEIVDJC-RDTXWAMCSA-N 2 1 379.913 4.482 20 0 GIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459365330 823173464 /nfs/dbraw/zinc/17/34/64/823173464.db2.gz ASKDEHURMPAUAX-HXUWFJFHSA-N 3 1 378.564 4.215 20 0 GIADMP CC1CC[NH+](CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459371784 823175176 /nfs/dbraw/zinc/17/51/76/823175176.db2.gz HDFJJACEMFOKEL-UHFFFAOYSA-N 2 1 381.568 4.272 20 0 GIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000459420394 823188994 /nfs/dbraw/zinc/18/89/94/823188994.db2.gz BHIUWRDNUCNUSG-UHFFFAOYSA-N 2 1 381.549 4.044 20 0 GIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457728 823196029 /nfs/dbraw/zinc/19/60/29/823196029.db2.gz YGOQLHHMYXXDPL-HNNXBMFYSA-N 2 1 399.373 4.011 20 0 GIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457728 823196033 /nfs/dbraw/zinc/19/60/33/823196033.db2.gz YGOQLHHMYXXDPL-HNNXBMFYSA-N 2 1 399.373 4.011 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121586126 823211388 /nfs/dbraw/zinc/21/13/88/823211388.db2.gz DJOUWIYUDGTUQR-OALUTQOASA-N 2 1 397.567 4.053 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121586126 823211391 /nfs/dbraw/zinc/21/13/91/823211391.db2.gz DJOUWIYUDGTUQR-OALUTQOASA-N 2 1 397.567 4.053 20 0 GIADMP COCc1cc(CN[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000459548175 823217477 /nfs/dbraw/zinc/21/74/77/823217477.db2.gz UTAWQAWVRBOECH-FTSXVACHSA-N 2 1 389.927 4.178 20 0 GIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555523 823219467 /nfs/dbraw/zinc/21/94/67/823219467.db2.gz GEYFMAWAUOIAFV-UHFFFAOYSA-N 2 1 378.524 4.087 20 0 GIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555523 823219470 /nfs/dbraw/zinc/21/94/70/823219470.db2.gz GEYFMAWAUOIAFV-UHFFFAOYSA-N 2 1 378.524 4.087 20 0 GIADMP O=c1cc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)occ1O ZINC000571882511 823249431 /nfs/dbraw/zinc/24/94/31/823249431.db2.gz WARVRWPQHROIEJ-JOCHJYFZSA-N 2 1 396.531 4.002 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000459716544 823255667 /nfs/dbraw/zinc/25/56/67/823255667.db2.gz WIPOQHJGLLTSHH-WWCUCUDHSA-N 2 1 398.572 4.106 20 0 GIADMP CC1(C)Oc2ccsc2[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000459716544 823255673 /nfs/dbraw/zinc/25/56/73/823255673.db2.gz WIPOQHJGLLTSHH-WWCUCUDHSA-N 2 1 398.572 4.106 20 0 GIADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748854 823283776 /nfs/dbraw/zinc/28/37/76/823283776.db2.gz IKFMVYOQHIZWGF-UHFFFAOYSA-N 2 1 382.548 4.341 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242625 823306762 /nfs/dbraw/zinc/30/67/62/823306762.db2.gz UCJYCTVUTYFPLF-HSZRJFAPSA-N 2 1 397.607 4.200 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242625 823306768 /nfs/dbraw/zinc/30/67/68/823306768.db2.gz UCJYCTVUTYFPLF-HSZRJFAPSA-N 2 1 397.607 4.200 20 0 GIADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000572249759 823307403 /nfs/dbraw/zinc/30/74/03/823307403.db2.gz YFHYBKZEJNLLGC-HNNXBMFYSA-N 2 1 381.467 4.187 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1)C1CCC1 ZINC000122436981 823353824 /nfs/dbraw/zinc/35/38/24/823353824.db2.gz WLOBTGJRJKDXCZ-UHFFFAOYSA-N 2 1 391.559 4.222 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460361347 823363739 /nfs/dbraw/zinc/36/37/39/823363739.db2.gz HBPALQNLVKEFQN-QZTJIDSGSA-N 2 1 399.966 4.333 20 0 GIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642216 823373289 /nfs/dbraw/zinc/37/32/89/823373289.db2.gz UIQVRQMYNVTUCF-JOCHJYFZSA-N 2 1 378.564 4.215 20 0 GIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642216 823373295 /nfs/dbraw/zinc/37/32/95/823373295.db2.gz UIQVRQMYNVTUCF-JOCHJYFZSA-N 2 1 378.564 4.215 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000177101253 823371255 /nfs/dbraw/zinc/37/12/55/823371255.db2.gz VVALYCJJCKOILC-FQEVSTJZSA-N 2 1 398.595 4.401 20 0 GIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841355 823408051 /nfs/dbraw/zinc/40/80/51/823408051.db2.gz RCSJKSQWFOXUKU-ZTCOLXNVSA-N 2 1 378.560 4.328 20 0 GIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841355 823408053 /nfs/dbraw/zinc/40/80/53/823408053.db2.gz RCSJKSQWFOXUKU-ZTCOLXNVSA-N 2 1 378.560 4.328 20 0 GIADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886184 823414002 /nfs/dbraw/zinc/41/40/02/823414002.db2.gz CLTAQXOORASOHD-XMSQKQJNSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886184 823414004 /nfs/dbraw/zinc/41/40/04/823414004.db2.gz CLTAQXOORASOHD-XMSQKQJNSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886184 823414005 /nfs/dbraw/zinc/41/40/05/823414005.db2.gz CLTAQXOORASOHD-XMSQKQJNSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886184 823414008 /nfs/dbraw/zinc/41/40/08/823414008.db2.gz CLTAQXOORASOHD-XMSQKQJNSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC3 ZINC000123001825 823446676 /nfs/dbraw/zinc/44/66/76/823446676.db2.gz GYNAJDQKRWEJBD-FQEVSTJZSA-N 2 1 389.543 4.288 20 0 GIADMP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364697 820089459 /nfs/dbraw/zinc/08/94/59/820089459.db2.gz OOVZTRTWZNJHFF-QZTJIDSGSA-N 2 1 399.966 4.160 20 0 GIADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465124 /nfs/dbraw/zinc/46/51/24/823465124.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465128 /nfs/dbraw/zinc/46/51/28/823465128.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 1 375.560 4.219 20 0 GIADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465132 /nfs/dbraw/zinc/46/51/32/823465132.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 1 375.560 4.219 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000028899371 820369733 /nfs/dbraw/zinc/36/97/33/820369733.db2.gz AQSIAWZGSSSNPG-INIZCTEOSA-N 2 1 387.474 4.068 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc21 ZINC000410363332 823474765 /nfs/dbraw/zinc/47/47/65/823474765.db2.gz WFEZREXNAHZECG-WKCHPHFGSA-N 2 1 375.516 4.464 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189858521 823506920 /nfs/dbraw/zinc/50/69/20/823506920.db2.gz MZSJBXCYZYGOFX-GFCCVEGCSA-N 2 1 377.357 4.046 20 0 GIADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC3 ZINC000123638900 823528300 /nfs/dbraw/zinc/52/83/00/823528300.db2.gz QJJVSHKJINSVEL-FGTMMUONSA-N 2 1 381.564 4.276 20 0 GIADMP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000043391308 821401134 /nfs/dbraw/zinc/40/11/34/821401134.db2.gz PBIDSHDEGNNVLK-UHFFFAOYSA-N 2 1 386.584 4.445 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1 ZINC000181002567 821586804 /nfs/dbraw/zinc/58/68/04/821586804.db2.gz CNHNEGWNIPIQKH-HNNXBMFYSA-N 2 1 377.467 4.100 20 0 GIADMP C[NH+](C)CCOc1cc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)ccn1 ZINC000181034485 821604291 /nfs/dbraw/zinc/60/42/91/821604291.db2.gz GZXRTUDSVYHKIU-UHFFFAOYSA-N 2 1 397.469 4.179 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)cc1)C(C)C ZINC000181662825 821929839 /nfs/dbraw/zinc/92/98/39/821929839.db2.gz UKSXFOGYQAOUNF-DENIHFKCSA-N 2 1 385.596 4.300 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1)C(C)C ZINC000181662825 821929849 /nfs/dbraw/zinc/92/98/49/821929849.db2.gz UKSXFOGYQAOUNF-DENIHFKCSA-N 2 1 385.596 4.300 20 0 GIADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1)C(C)C ZINC000181662825 821929861 /nfs/dbraw/zinc/92/98/61/821929861.db2.gz UKSXFOGYQAOUNF-DENIHFKCSA-N 2 1 385.596 4.300 20 0 GIADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774870 821987670 /nfs/dbraw/zinc/98/76/70/821987670.db2.gz DELJBHWYZMARAX-LIRRHRJNSA-N 2 1 399.348 4.130 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244211 822164909 /nfs/dbraw/zinc/16/49/09/822164909.db2.gz PMGGIWNHSDXVGW-DNVCBOLYSA-N 2 1 376.903 4.287 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244211 822164914 /nfs/dbraw/zinc/16/49/14/822164914.db2.gz PMGGIWNHSDXVGW-DNVCBOLYSA-N 2 1 376.903 4.287 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258207 822172498 /nfs/dbraw/zinc/17/24/98/822172498.db2.gz GUQRGNQUAYMHQF-DQEYMECFSA-N 2 1 390.502 4.272 20 0 GIADMP CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182266925 822178194 /nfs/dbraw/zinc/17/81/94/822178194.db2.gz OYDIKSAFLOACLQ-XXBNENTESA-N 2 1 382.548 4.139 20 0 GIADMP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000177969036 822262311 /nfs/dbraw/zinc/26/23/11/822262311.db2.gz VDBLXMQRJBAPTC-HXUWFJFHSA-N 2 1 382.548 4.070 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000178133250 822328471 /nfs/dbraw/zinc/32/84/71/822328471.db2.gz XNKDCGQPSHFQFQ-GOSISDBHSA-N 2 1 376.504 4.395 20 0 GIADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCS2 ZINC000178255895 822359272 /nfs/dbraw/zinc/35/92/72/822359272.db2.gz IEPFHJSYROWHPR-KRWDZBQOSA-N 2 1 381.383 4.450 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000178389763 822374342 /nfs/dbraw/zinc/37/43/42/822374342.db2.gz OMGZMPNDGKEKQO-SFHVURJKSA-N 2 1 375.532 4.131 20 0 GIADMP Cc1cc(Br)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000453596759 822390556 /nfs/dbraw/zinc/39/05/56/822390556.db2.gz XXDKCOJPJUNCKM-UHFFFAOYSA-N 2 1 383.355 4.049 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802136 822411770 /nfs/dbraw/zinc/41/17/70/822411770.db2.gz BJBVTBCELWMSMQ-HLIPFELVSA-N 2 1 389.515 4.265 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000183020524 822412386 /nfs/dbraw/zinc/41/23/86/822412386.db2.gz XBNQYNYVZOTZON-LJQANCHMSA-N 3 1 384.568 4.317 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183152219 822432227 /nfs/dbraw/zinc/43/22/27/822432227.db2.gz AOUMGMBWWXLEQL-YESZJQIVSA-N 2 1 394.494 4.236 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000454493150 822484303 /nfs/dbraw/zinc/48/43/03/822484303.db2.gz AGZBQUPVHCSDJK-UHFFFAOYSA-N 2 1 397.567 4.442 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672140 822509022 /nfs/dbraw/zinc/50/90/22/822509022.db2.gz DDSFQDGASXQDDN-AOMKIAJQSA-N 2 1 399.922 4.062 20 0 GIADMP CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183685489 822511103 /nfs/dbraw/zinc/51/11/03/822511103.db2.gz NSNWFOWYHVGWJZ-OAHLLOKOSA-N 2 1 380.517 4.192 20 0 GIADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)CC1 ZINC000046816402 822520755 /nfs/dbraw/zinc/52/07/55/822520755.db2.gz TVDTWCFYXFIQQI-DEOSSOPVSA-N 2 1 391.559 4.028 20 0 GIADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000046836871 822522762 /nfs/dbraw/zinc/52/27/62/822522762.db2.gz YRKCCENTDALTCH-UHFFFAOYSA-N 2 1 382.939 4.245 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083839 822575625 /nfs/dbraw/zinc/57/56/25/822575625.db2.gz OCOIIWWHVQGIEA-STXHMFSFSA-N 2 1 384.395 4.276 20 0 GIADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180024352 822599178 /nfs/dbraw/zinc/59/91/78/822599178.db2.gz JOFDKTYUCZYXIF-XMMPIXPASA-N 2 1 392.522 4.424 20 0 GIADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047970615 822623184 /nfs/dbraw/zinc/62/31/84/822623184.db2.gz KQDMUUQKDSDQBT-UHFFFAOYSA-N 2 1 394.441 4.063 20 0 GIADMP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000180438187 822681904 /nfs/dbraw/zinc/68/19/04/822681904.db2.gz OOOSFXLXHTUYNT-JTSKRJEESA-N 2 1 389.946 4.042 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180451103 822684659 /nfs/dbraw/zinc/68/46/59/822684659.db2.gz UKCKSIRRRZMJAJ-UHFFFAOYSA-N 2 1 375.557 4.064 20 0 GIADMP c1sc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccncc1 ZINC000174389589 822782342 /nfs/dbraw/zinc/78/23/42/822782342.db2.gz NKWWRMGFRHJRLP-UHFFFAOYSA-N 2 1 392.572 4.392 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000174453756 822792037 /nfs/dbraw/zinc/79/20/37/822792037.db2.gz MFDQRKZTFZURBD-UHFFFAOYSA-N 2 1 388.256 4.125 20 0 GIADMP C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728378 822815269 /nfs/dbraw/zinc/81/52/69/822815269.db2.gz WGVVLCQBGWVMLZ-QFBILLFUSA-N 2 1 380.532 4.024 20 0 GIADMP C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728378 822815272 /nfs/dbraw/zinc/81/52/72/822815272.db2.gz WGVVLCQBGWVMLZ-QFBILLFUSA-N 2 1 380.532 4.024 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760637 822818551 /nfs/dbraw/zinc/81/85/51/822818551.db2.gz SWTVPMWYHVDQRO-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760637 822818555 /nfs/dbraw/zinc/81/85/55/822818555.db2.gz SWTVPMWYHVDQRO-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764989 822818903 /nfs/dbraw/zinc/81/89/03/822818903.db2.gz JOQZFKDPGNJLRH-HUUCEWRRSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764989 822818907 /nfs/dbraw/zinc/81/89/07/822818907.db2.gz JOQZFKDPGNJLRH-HUUCEWRRSA-N 2 1 397.535 4.182 20 0 GIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960074 822861600 /nfs/dbraw/zinc/86/16/00/822861600.db2.gz KJEKSQYXMCJCIZ-FQEVSTJZSA-N 2 1 395.547 4.471 20 0 GIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960074 822861602 /nfs/dbraw/zinc/86/16/02/822861602.db2.gz KJEKSQYXMCJCIZ-FQEVSTJZSA-N 2 1 395.547 4.471 20 0 GIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960074 822861604 /nfs/dbraw/zinc/86/16/04/822861604.db2.gz KJEKSQYXMCJCIZ-FQEVSTJZSA-N 2 1 395.547 4.471 20 0 GIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186367027 822882902 /nfs/dbraw/zinc/88/29/02/822882902.db2.gz XACUDFNRLBVNBE-UHFFFAOYSA-N 2 1 380.532 4.394 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175216385 822906687 /nfs/dbraw/zinc/90/66/87/822906687.db2.gz MWLMKLKUKZSWAS-PXNSSMCTSA-N 2 1 383.540 4.001 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175216385 822906690 /nfs/dbraw/zinc/90/66/90/822906690.db2.gz MWLMKLKUKZSWAS-PXNSSMCTSA-N 2 1 383.540 4.001 20 0 GIADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000175217342 822906834 /nfs/dbraw/zinc/90/68/34/822906834.db2.gz AMJSACJWXNWTRT-HXUWFJFHSA-N 2 1 383.540 4.003 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123511 823014028 /nfs/dbraw/zinc/01/40/28/823014028.db2.gz ARZIFKABABHEHD-IBGZPJMESA-N 2 1 391.559 4.117 20 0 GIADMP CC(CC[NH+]1CCCC2(CCOCC2)C1)CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000411309119 823563802 /nfs/dbraw/zinc/56/38/02/823563802.db2.gz JBJIQWNRXFTXQF-UHFFFAOYSA-N 2 1 392.628 4.188 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382760 823568180 /nfs/dbraw/zinc/56/81/80/823568180.db2.gz FSJITHKBVMZYSA-LEDOBFOHSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382760 823568183 /nfs/dbraw/zinc/56/81/83/823568183.db2.gz FSJITHKBVMZYSA-LEDOBFOHSA-N 2 1 399.604 4.006 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382760 823568186 /nfs/dbraw/zinc/56/81/86/823568186.db2.gz FSJITHKBVMZYSA-LEDOBFOHSA-N 2 1 399.604 4.006 20 0 GIADMP c1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428494 823573198 /nfs/dbraw/zinc/57/31/98/823573198.db2.gz PSADEMIDTOYTAS-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428494 823573199 /nfs/dbraw/zinc/57/31/99/823573199.db2.gz PSADEMIDTOYTAS-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428494 823573200 /nfs/dbraw/zinc/57/32/00/823573200.db2.gz PSADEMIDTOYTAS-NRFANRHFSA-N 2 1 379.552 4.048 20 0 GIADMP CC(CC[NH+]1CCCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719331 823599776 /nfs/dbraw/zinc/59/97/76/823599776.db2.gz NMKCPJVZMVFGEO-FGZHOGPDSA-N 2 1 384.572 4.303 20 0 GIADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124692134 823618005 /nfs/dbraw/zinc/61/80/05/823618005.db2.gz BGKNEJHIHILSHZ-DEOSSOPVSA-N 2 1 391.515 4.247 20 0 GIADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124692134 823618006 /nfs/dbraw/zinc/61/80/06/823618006.db2.gz BGKNEJHIHILSHZ-DEOSSOPVSA-N 2 1 391.515 4.247 20 0 GIADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461392924 823628636 /nfs/dbraw/zinc/62/86/36/823628636.db2.gz XJIFEIYHZIRDJS-UHFFFAOYSA-N 2 1 388.581 4.231 20 0 GIADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254845 823640362 /nfs/dbraw/zinc/64/03/62/823640362.db2.gz YSMLVUJTCLVOEU-DENIHFKCSA-N 2 1 383.580 4.055 20 0 GIADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412285401 823642803 /nfs/dbraw/zinc/64/28/03/823642803.db2.gz BJIFWZGTDGVDFO-UHFFFAOYSA-N 2 1 393.531 4.060 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195669 823658386 /nfs/dbraw/zinc/65/83/86/823658386.db2.gz NPRKQSRCJLRDTB-OALUTQOASA-N 2 1 375.520 4.144 20 0 GIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000063312969 823661748 /nfs/dbraw/zinc/66/17/48/823661748.db2.gz SANXKNARUVHRMX-UHFFFAOYSA-N 2 1 392.547 4.186 20 0 GIADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nccn3-c3ccccc3)cc2)CC1 ZINC000191438736 823685231 /nfs/dbraw/zinc/68/52/31/823685231.db2.gz QTMSTUOFHNDLPV-UHFFFAOYSA-N 2 1 389.547 4.262 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472839 823688799 /nfs/dbraw/zinc/68/87/99/823688799.db2.gz FSWRMHADZQMWOQ-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472839 823688800 /nfs/dbraw/zinc/68/88/00/823688800.db2.gz FSWRMHADZQMWOQ-CQSZACIVSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508436 823693247 /nfs/dbraw/zinc/69/32/47/823693247.db2.gz POCRVYSOCKSJGE-MRXNPFEDSA-N 2 1 385.487 4.416 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508436 823693248 /nfs/dbraw/zinc/69/32/48/823693248.db2.gz POCRVYSOCKSJGE-MRXNPFEDSA-N 2 1 385.487 4.416 20 0 GIADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000191536255 823697191 /nfs/dbraw/zinc/69/71/91/823697191.db2.gz CBUUBWXDIUEYMM-UHFFFAOYSA-N 2 1 387.959 4.116 20 0 GIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789477 823711141 /nfs/dbraw/zinc/71/11/41/823711141.db2.gz XYZWTBPROJUIFC-JKSUJKDBSA-N 2 1 385.474 4.133 20 0 GIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000063917405 823711501 /nfs/dbraw/zinc/71/15/01/823711501.db2.gz WQWXQYJPVHSREY-OAQYLSRUSA-N 2 1 392.547 4.043 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000163696228 823738656 /nfs/dbraw/zinc/73/86/56/823738656.db2.gz CAOKUNMVUBAWBW-IBGZPJMESA-N 2 1 398.547 4.342 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000163696228 823738662 /nfs/dbraw/zinc/73/86/62/823738662.db2.gz CAOKUNMVUBAWBW-IBGZPJMESA-N 2 1 398.547 4.342 20 0 GIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000574558766 823766404 /nfs/dbraw/zinc/76/64/04/823766404.db2.gz OQORENNRVALYRN-LJQANCHMSA-N 2 1 386.971 4.306 20 0 GIADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041572 823808791 /nfs/dbraw/zinc/80/87/91/823808791.db2.gz VMJIYKXDQIEYGJ-QFIPXVFZSA-N 2 1 382.548 4.370 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000164683518 823815723 /nfs/dbraw/zinc/81/57/23/823815723.db2.gz PQNIERWUGIFNSG-QGZVFWFLSA-N 2 1 378.314 4.238 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000164988901 823828702 /nfs/dbraw/zinc/82/87/02/823828702.db2.gz RZTCXKZXVKATIC-URXKWEQPSA-N 2 1 376.591 4.219 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000164988901 823828705 /nfs/dbraw/zinc/82/87/05/823828705.db2.gz RZTCXKZXVKATIC-URXKWEQPSA-N 2 1 376.591 4.219 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307709 823843271 /nfs/dbraw/zinc/84/32/71/823843271.db2.gz RUHKPYIXYSRTEF-CTNGQTDRSA-N 2 1 380.532 4.063 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181859 823871906 /nfs/dbraw/zinc/87/19/06/823871906.db2.gz MKNXIUZNELWFBO-BULFRSBZSA-N 2 1 395.522 4.284 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181859 823871910 /nfs/dbraw/zinc/87/19/10/823871910.db2.gz MKNXIUZNELWFBO-BULFRSBZSA-N 2 1 395.522 4.284 20 0 GIADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880536 /nfs/dbraw/zinc/88/05/36/823880536.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 1 395.513 4.305 20 0 GIADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880544 /nfs/dbraw/zinc/88/05/44/823880544.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 1 395.513 4.305 20 0 GIADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880550 /nfs/dbraw/zinc/88/05/50/823880550.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 1 395.513 4.305 20 0 GIADMP CN1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880557 /nfs/dbraw/zinc/88/05/57/823880557.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 1 395.513 4.305 20 0 GIADMP CN1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880564 /nfs/dbraw/zinc/88/05/64/823880564.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 1 395.513 4.305 20 0 GIADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007652 823885831 /nfs/dbraw/zinc/88/58/31/823885831.db2.gz JILZHXVVYKZISQ-UTKZUKDTSA-N 2 1 399.604 4.339 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C1 ZINC000575084823 823907268 /nfs/dbraw/zinc/90/72/68/823907268.db2.gz HWZXGWYVTDJCTR-SFHVURJKSA-N 2 1 397.529 4.425 20 0 GIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccsc2S1 ZINC000126682292 823926275 /nfs/dbraw/zinc/92/62/75/823926275.db2.gz VHKKCJNQNCDQMV-JXFKEZNVSA-N 2 1 387.618 4.211 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830898 823961640 /nfs/dbraw/zinc/96/16/40/823961640.db2.gz KVHUEBYFLGQLOI-QZTJIDSGSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830898 823961649 /nfs/dbraw/zinc/96/16/49/823961649.db2.gz KVHUEBYFLGQLOI-QZTJIDSGSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852881 823966748 /nfs/dbraw/zinc/96/67/48/823966748.db2.gz AWXDWRIZQIDATI-MOPGFXCFSA-N 2 1 380.561 4.497 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852881 823966752 /nfs/dbraw/zinc/96/67/52/823966752.db2.gz AWXDWRIZQIDATI-MOPGFXCFSA-N 2 1 380.561 4.497 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cs1 ZINC000126864807 823969665 /nfs/dbraw/zinc/96/96/65/823969665.db2.gz DMNIUDFURANPAZ-OAQYLSRUSA-N 2 1 395.576 4.020 20 0 GIADMP COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000575878236 824018166 /nfs/dbraw/zinc/01/81/66/824018166.db2.gz AIILBQCSFBCYEB-QGZVFWFLSA-N 2 1 396.560 4.364 20 0 GIADMP COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000575878236 824018174 /nfs/dbraw/zinc/01/81/74/824018174.db2.gz AIILBQCSFBCYEB-QGZVFWFLSA-N 2 1 396.560 4.364 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883499 824019062 /nfs/dbraw/zinc/01/90/62/824019062.db2.gz VSDINERARKKYRX-GUXCAODWSA-N 2 1 388.353 4.405 20 0 GIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883499 824019067 /nfs/dbraw/zinc/01/90/67/824019067.db2.gz VSDINERARKKYRX-GUXCAODWSA-N 2 1 388.353 4.405 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883500 824019301 /nfs/dbraw/zinc/01/93/01/824019301.db2.gz VSDINERARKKYRX-TWOQFEAHSA-N 2 1 388.353 4.405 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883500 824019307 /nfs/dbraw/zinc/01/93/07/824019307.db2.gz VSDINERARKKYRX-TWOQFEAHSA-N 2 1 388.353 4.405 20 0 GIADMP COc1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959173 824038220 /nfs/dbraw/zinc/03/82/20/824038220.db2.gz LUOGUQKLAJUFKU-LIRRHRJNSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959173 824038227 /nfs/dbraw/zinc/03/82/27/824038227.db2.gz LUOGUQKLAJUFKU-LIRRHRJNSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959173 824038232 /nfs/dbraw/zinc/03/82/32/824038232.db2.gz LUOGUQKLAJUFKU-LIRRHRJNSA-N 2 1 381.358 4.229 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1 ZINC001164386908 718815732 /nfs/dbraw/zinc/81/57/32/718815732.db2.gz BVVVPTZPJNBEPS-MJGOQNOKSA-N 2 1 396.501 4.139 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001164627498 719049057 /nfs/dbraw/zinc/04/90/57/719049057.db2.gz VKULXEOAEPNDCW-OYRHQHFDSA-N 2 1 390.575 4.212 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357054 823049002 /nfs/dbraw/zinc/04/90/02/823049002.db2.gz OYGLLODBWARIKQ-ZBFHGGJFSA-N 2 1 381.358 4.200 20 0 GIADMP COc1c(Br)cccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357054 823049007 /nfs/dbraw/zinc/04/90/07/823049007.db2.gz OYGLLODBWARIKQ-ZBFHGGJFSA-N 2 1 381.358 4.200 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(F)cc1Cl ZINC000187395121 823055377 /nfs/dbraw/zinc/05/53/77/823055377.db2.gz YEPALFFAONCNAB-NRFANRHFSA-N 2 1 391.918 4.146 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)NCc1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000570680933 823071704 /nfs/dbraw/zinc/07/17/04/823071704.db2.gz WDOXGFQDNMBIJE-UHFFFAOYSA-N 2 1 391.519 4.421 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766964 823083996 /nfs/dbraw/zinc/08/39/96/823083996.db2.gz DPPZSQACVSAOQJ-RXVVDRJESA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766964 823083999 /nfs/dbraw/zinc/08/39/99/823083999.db2.gz DPPZSQACVSAOQJ-RXVVDRJESA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766964 823084005 /nfs/dbraw/zinc/08/40/05/823084005.db2.gz DPPZSQACVSAOQJ-RXVVDRJESA-N 2 1 378.545 4.092 20 0 GIADMP c1cc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766964 823084010 /nfs/dbraw/zinc/08/40/10/823084010.db2.gz DPPZSQACVSAOQJ-RXVVDRJESA-N 2 1 378.545 4.092 20 0 GIADMP C[NH+](C)CCOc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000570785291 823087084 /nfs/dbraw/zinc/08/70/84/823087084.db2.gz JVHJRBVAIGUGMZ-NUNAXRQHSA-N 2 1 379.548 4.235 20 0 GIADMP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000056156180 823091561 /nfs/dbraw/zinc/09/15/61/823091561.db2.gz SIPVBDYJLFKMBF-MOPGFXCFSA-N 2 1 395.547 4.044 20 0 GIADMP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121027938 823105351 /nfs/dbraw/zinc/10/53/51/823105351.db2.gz NQYPRYAGJHFINY-SBUREZEXSA-N 2 1 388.502 4.074 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000176186071 823147867 /nfs/dbraw/zinc/14/78/67/823147867.db2.gz YYJYUWKIVCVLKI-GOSISDBHSA-N 2 1 388.515 4.268 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2coc3ccccc23)c1)C1CCOCC1 ZINC000121255408 823148657 /nfs/dbraw/zinc/14/86/57/823148657.db2.gz MDGSDQXXZNCKDA-UHFFFAOYSA-N 2 1 394.515 4.212 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176511 /nfs/dbraw/zinc/17/65/11/823176511.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176514 /nfs/dbraw/zinc/17/65/14/823176514.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 2 1 381.568 4.222 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176517 /nfs/dbraw/zinc/17/65/17/823176517.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 2 1 381.568 4.222 20 0 GIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459405279 823185428 /nfs/dbraw/zinc/18/54/28/823185428.db2.gz FEEUIMPAMMFZML-RTWAWAEBSA-N 2 1 393.575 4.227 20 0 GIADMP COc1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1OC ZINC000459413881 823187668 /nfs/dbraw/zinc/18/76/68/823187668.db2.gz XXHDJERRALPIFA-JOCHJYFZSA-N 2 1 380.532 4.204 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000056662024 823192321 /nfs/dbraw/zinc/19/23/21/823192321.db2.gz FRQZAWOEUJVAQG-RBUKOAKNSA-N 2 1 397.567 4.297 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000056662024 823192324 /nfs/dbraw/zinc/19/23/24/823192324.db2.gz FRQZAWOEUJVAQG-RBUKOAKNSA-N 2 1 397.567 4.297 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000121578723 823209770 /nfs/dbraw/zinc/20/97/70/823209770.db2.gz SJODQKSTPIJOBZ-IBGZPJMESA-N 2 1 397.567 4.053 20 0 GIADMP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000459729072 823257396 /nfs/dbraw/zinc/25/73/96/823257396.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257400 /nfs/dbraw/zinc/25/74/00/823257400.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 1 393.550 4.010 20 0 GIADMP Fc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257404 /nfs/dbraw/zinc/25/74/04/823257404.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 1 393.550 4.010 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121941744 823281601 /nfs/dbraw/zinc/28/16/01/823281601.db2.gz LUHHHBSTTFPUCH-HNNXBMFYSA-N 2 1 385.474 4.277 20 0 GIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000572439221 823339369 /nfs/dbraw/zinc/33/93/69/823339369.db2.gz PXDJBFSBHCPSPX-UHFFFAOYSA-N 2 1 379.508 4.076 20 0 GIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843866 823340432 /nfs/dbraw/zinc/34/04/32/823340432.db2.gz OBGATIBSQDINJC-UHFFFAOYSA-N 2 1 379.548 4.032 20 0 GIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843866 823340437 /nfs/dbraw/zinc/34/04/37/823340437.db2.gz OBGATIBSQDINJC-UHFFFAOYSA-N 2 1 379.548 4.032 20 0 GIADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(Br)c1 ZINC000057889645 823345737 /nfs/dbraw/zinc/34/57/37/823345737.db2.gz ZVHINJGYVPNEBL-FQEVSTJZSA-N 2 1 395.385 4.071 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000177028790 823353825 /nfs/dbraw/zinc/35/38/25/823353825.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000177028790 823353832 /nfs/dbraw/zinc/35/38/32/823353832.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177028790 823353837 /nfs/dbraw/zinc/35/38/37/823353837.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 2 1 397.588 4.414 20 0 GIADMP CN(C)C(=O)Sc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000177028790 823353843 /nfs/dbraw/zinc/35/38/43/823353843.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 2 1 397.588 4.414 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767508 823395333 /nfs/dbraw/zinc/39/53/33/823395333.db2.gz OAZCCKBWYNKGIS-QAPCUYQASA-N 2 1 378.438 4.411 20 0 GIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572767508 823395339 /nfs/dbraw/zinc/39/53/39/823395339.db2.gz OAZCCKBWYNKGIS-QAPCUYQASA-N 2 1 378.438 4.411 20 0 GIADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886183 823414123 /nfs/dbraw/zinc/41/41/23/823414123.db2.gz CLTAQXOORASOHD-PGRDOPGGSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886183 823414125 /nfs/dbraw/zinc/41/41/25/823414125.db2.gz CLTAQXOORASOHD-PGRDOPGGSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886183 823414126 /nfs/dbraw/zinc/41/41/26/823414126.db2.gz CLTAQXOORASOHD-PGRDOPGGSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886183 823414127 /nfs/dbraw/zinc/41/41/27/823414127.db2.gz CLTAQXOORASOHD-PGRDOPGGSA-N 2 1 382.548 4.497 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979055 823429375 /nfs/dbraw/zinc/42/93/75/823429375.db2.gz QXBYVGBVDVOJLZ-LADGPHEKSA-N 2 1 378.560 4.468 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979055 823429377 /nfs/dbraw/zinc/42/93/77/823429377.db2.gz QXBYVGBVDVOJLZ-LADGPHEKSA-N 2 1 378.560 4.468 20 0 GIADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177502477 823477992 /nfs/dbraw/zinc/47/79/92/823477992.db2.gz BKHSTQFXPXXKIV-QRVBRYPASA-N 2 1 398.551 4.009 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000123669536 823530413 /nfs/dbraw/zinc/53/04/13/823530413.db2.gz BVCVVEFRMUAIRQ-HNNXBMFYSA-N 2 1 383.927 4.142 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000123741658 823536219 /nfs/dbraw/zinc/53/62/19/823536219.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000123741658 823536222 /nfs/dbraw/zinc/53/62/22/823536222.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741658 823536225 /nfs/dbraw/zinc/53/62/25/823536225.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 2 1 381.520 4.222 20 0 GIADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000123741658 823536227 /nfs/dbraw/zinc/53/62/27/823536227.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 2 1 381.520 4.222 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000177851429 823536322 /nfs/dbraw/zinc/53/63/22/823536322.db2.gz GWGHEOYXEUJMHN-OAHLLOKOSA-N 2 1 382.895 4.432 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643958 821379774 /nfs/dbraw/zinc/37/97/74/821379774.db2.gz YICVAMGCYMEOKG-KSSFIOAISA-N 2 1 379.331 4.411 20 0 GIADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180738118 821425794 /nfs/dbraw/zinc/42/57/94/821425794.db2.gz DWDCGSKYDOXZKA-GOSISDBHSA-N 2 1 396.522 4.234 20 0 GIADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC000180891207 821518135 /nfs/dbraw/zinc/51/81/35/821518135.db2.gz HMULHIQFHJHCFV-UHFFFAOYSA-N 2 1 392.499 4.318 20 0 GIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235495 822159986 /nfs/dbraw/zinc/15/99/86/822159986.db2.gz ZUZVTWOCUHTVHV-GGAORHGYSA-N 2 1 392.543 4.179 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268279 822180077 /nfs/dbraw/zinc/18/00/77/822180077.db2.gz YJSXLWRNFFAYSV-JTHBVZDNSA-N 2 1 392.543 4.179 20 0 GIADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182272256 822181419 /nfs/dbraw/zinc/18/14/19/822181419.db2.gz YPIKTYKMMCWCHC-LPHOPBHVSA-N 2 1 390.474 4.014 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182410018 822233110 /nfs/dbraw/zinc/23/31/10/822233110.db2.gz DHFHXTQLMDBNBL-HXUWFJFHSA-N 2 1 397.579 4.386 20 0 GIADMP CC(C)([NH2+]CC1(C[NH2+]C(C)(C)c2cccc(F)c2)COC1)c1cccc(F)c1 ZINC000182437123 822242185 /nfs/dbraw/zinc/24/21/85/822242185.db2.gz BXXLRMRLERCLJV-UHFFFAOYSA-N 2 1 388.502 4.331 20 0 GIADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178035513 822292022 /nfs/dbraw/zinc/29/20/22/822292022.db2.gz MEMNDZJIXGDYJZ-SLFFLAALSA-N 2 1 389.584 4.006 20 0 GIADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000182825798 822373799 /nfs/dbraw/zinc/37/37/99/822373799.db2.gz MSRBXANKMWHZLL-OALUTQOASA-N 3 1 384.568 4.173 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178694983 822403407 /nfs/dbraw/zinc/40/34/07/822403407.db2.gz NZZQMDNIRMAWPR-CQSZACIVSA-N 2 1 378.442 4.432 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000178695663 822403655 /nfs/dbraw/zinc/40/36/55/822403655.db2.gz WNOYRAZVFIEHQB-CQSZACIVSA-N 2 1 394.441 4.312 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000178699636 822403843 /nfs/dbraw/zinc/40/38/43/822403843.db2.gz LPDBWQFKINFCMZ-GUYCJALGSA-N 2 1 378.314 4.094 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142715 822430263 /nfs/dbraw/zinc/43/02/63/822430263.db2.gz GHZZJCLMIOSRGN-ROUUACIJSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183152961 822432198 /nfs/dbraw/zinc/43/21/98/822432198.db2.gz ALHSHBHMPGMYGH-SJORKVTESA-N 2 1 399.498 4.407 20 0 GIADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183157791 822433120 /nfs/dbraw/zinc/43/31/20/822433120.db2.gz XNAIHJPPHJOBHM-KRWDZBQOSA-N 2 1 376.504 4.341 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191156 822438578 /nfs/dbraw/zinc/43/85/78/822438578.db2.gz GDXWTIORQFIZDL-QKNQBKEWSA-N 2 1 396.579 4.303 20 0 GIADMP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183197076 822439863 /nfs/dbraw/zinc/43/98/63/822439863.db2.gz DFJCVRUEMHKYSK-YYZRRKBYSA-N 2 1 379.589 4.065 20 0 GIADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397067 822476836 /nfs/dbraw/zinc/47/68/36/822476836.db2.gz ZHAGUGAOKXOWHK-IBGZPJMESA-N 2 1 394.563 4.210 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495947 822491038 /nfs/dbraw/zinc/49/10/38/822491038.db2.gz MFOVERJEXBHLBH-MBSDFSHPSA-N 2 1 388.515 4.023 20 0 GIADMP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000179511525 822493686 /nfs/dbraw/zinc/49/36/86/822493686.db2.gz SVORVCGHTKLMKO-HSZRJFAPSA-N 2 1 379.479 4.040 20 0 GIADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000183610851 822501047 /nfs/dbraw/zinc/50/10/47/822501047.db2.gz RSOBQSFRCKBRAA-RTBURBONSA-N 2 1 396.531 4.115 20 0 GIADMP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183673122 822509227 /nfs/dbraw/zinc/50/92/27/822509227.db2.gz HAYVGXDYZPYXRW-HZPDHXFCSA-N 2 1 390.487 4.061 20 0 GIADMP CCOCc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510760 /nfs/dbraw/zinc/51/07/60/822510760.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510762 /nfs/dbraw/zinc/51/07/62/822510762.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510765 /nfs/dbraw/zinc/51/07/65/822510765.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510766 /nfs/dbraw/zinc/51/07/66/822510766.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510785 /nfs/dbraw/zinc/51/07/85/822510785.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510786 /nfs/dbraw/zinc/51/07/86/822510786.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510788 /nfs/dbraw/zinc/51/07/88/822510788.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 2 1 382.548 4.186 20 0 GIADMP CCOCc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510791 /nfs/dbraw/zinc/51/07/91/822510791.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 2 1 382.548 4.186 20 0 GIADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687227 822511392 /nfs/dbraw/zinc/51/13/92/822511392.db2.gz VKSVIAQZRNJVFP-DLBZAZTESA-N 2 1 392.503 4.176 20 0 GIADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000046836846 822522482 /nfs/dbraw/zinc/52/24/82/822522482.db2.gz QJIRNUQELBEZLE-UHFFFAOYSA-N 2 1 386.902 4.325 20 0 GIADMP COc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1OCc1ccncc1 ZINC000184332879 822617063 /nfs/dbraw/zinc/61/70/63/822617063.db2.gz HGDUNODNQOXCHJ-IBGZPJMESA-N 2 1 383.536 4.023 20 0 GIADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)ccc21 ZINC000456309106 822796946 /nfs/dbraw/zinc/79/69/46/822796946.db2.gz JJPYLZZBJLZCDF-KURKYZTESA-N 2 1 397.485 4.083 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697892 822811137 /nfs/dbraw/zinc/81/11/37/822811137.db2.gz HTPHQLYVOGISER-BBTUJRGHSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697892 822811142 /nfs/dbraw/zinc/81/11/42/822811142.db2.gz HTPHQLYVOGISER-BBTUJRGHSA-N 2 1 379.548 4.409 20 0 GIADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753563 822817862 /nfs/dbraw/zinc/81/78/62/822817862.db2.gz KWWPOQUDYRLKCO-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753563 822817864 /nfs/dbraw/zinc/81/78/64/822817864.db2.gz KWWPOQUDYRLKCO-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000186341472 822878552 /nfs/dbraw/zinc/87/85/52/822878552.db2.gz GORJWFFJQDDSGW-OXYBSBDGSA-N 2 1 376.504 4.057 20 0 GIADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888510 /nfs/dbraw/zinc/88/85/10/822888510.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888512 /nfs/dbraw/zinc/88/85/12/822888512.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888519 /nfs/dbraw/zinc/88/85/19/822888519.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 2 1 392.543 4.430 20 0 GIADMP CC1(C)OCc2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888525 /nfs/dbraw/zinc/88/85/25/822888525.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 2 1 392.543 4.430 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000175216448 822906727 /nfs/dbraw/zinc/90/67/27/822906727.db2.gz QOXRSNJDLPPAQR-OAQYLSRUSA-N 2 1 397.567 4.393 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000175216448 822906731 /nfs/dbraw/zinc/90/67/31/822906731.db2.gz QOXRSNJDLPPAQR-OAQYLSRUSA-N 2 1 397.567 4.393 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961737 822987893 /nfs/dbraw/zinc/98/78/93/822987893.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961737 822987895 /nfs/dbraw/zinc/98/78/95/822987895.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961737 822987897 /nfs/dbraw/zinc/98/78/97/822987897.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961737 822987898 /nfs/dbraw/zinc/98/78/98/822987898.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125695 823014205 /nfs/dbraw/zinc/01/42/05/823014205.db2.gz LUASUQWNUXATIX-IBGZPJMESA-N 2 1 391.559 4.117 20 0 GIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ncc(Br)cc3F)CC2)[nH+]1 ZINC000187217478 823026419 /nfs/dbraw/zinc/02/64/19/823026419.db2.gz BAZDHIRXXASCPW-CYBMUJFWSA-N 2 1 393.304 4.006 20 0 GIADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1 ZINC000124006240 823559390 /nfs/dbraw/zinc/55/93/90/823559390.db2.gz YDXCZYUACZYUAG-QZTJIDSGSA-N 2 1 394.515 4.340 20 0 GIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492902 823581175 /nfs/dbraw/zinc/58/11/75/823581175.db2.gz DOJRGFCOCQNSDJ-ZRCGQRJVSA-N 2 1 383.580 4.150 20 0 GIADMP C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517680 823583762 /nfs/dbraw/zinc/58/37/62/823583762.db2.gz NHTFBZJIKQFXOP-ICSRJNTNSA-N 2 1 379.548 4.411 20 0 GIADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccccc1 ZINC000062427183 823635217 /nfs/dbraw/zinc/63/52/17/823635217.db2.gz VUPFHVVDVCUEDW-QFIPXVFZSA-N 2 1 382.548 4.484 20 0 GIADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254852 823640418 /nfs/dbraw/zinc/64/04/18/823640418.db2.gz YSMLVUJTCLVOEU-SIKLNZKXSA-N 2 1 383.580 4.055 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4cc(OC)ccc4o3)CC2)cs1 ZINC000125350549 823670005 /nfs/dbraw/zinc/67/00/05/823670005.db2.gz MAAOSCCKDOXRMJ-UHFFFAOYSA-N 2 1 399.560 4.462 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464445 823678216 /nfs/dbraw/zinc/67/82/16/823678216.db2.gz VMRTXJKZVKTJKR-UZUQRXQVSA-N 2 1 379.504 4.352 20 0 GIADMP CC(C)C[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000063645471 823686401 /nfs/dbraw/zinc/68/64/01/823686401.db2.gz MVNOLLKRKLXMIW-HXUWFJFHSA-N 2 1 385.596 4.045 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471119 823688810 /nfs/dbraw/zinc/68/88/10/823688810.db2.gz VJDMSXVFPJILDE-IRXDYDNUSA-N 2 1 390.959 4.077 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471119 823688811 /nfs/dbraw/zinc/68/88/11/823688811.db2.gz VJDMSXVFPJILDE-IRXDYDNUSA-N 2 1 390.959 4.077 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483257 823689689 /nfs/dbraw/zinc/68/96/89/823689689.db2.gz GIOCAKWPQAHXOI-OAHLLOKOSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483257 823689693 /nfs/dbraw/zinc/68/96/93/823689693.db2.gz GIOCAKWPQAHXOI-OAHLLOKOSA-N 2 1 396.457 4.204 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497836 823691606 /nfs/dbraw/zinc/69/16/06/823691606.db2.gz JYESUKFMXKHNPK-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497836 823691607 /nfs/dbraw/zinc/69/16/07/823691607.db2.gz JYESUKFMXKHNPK-AWEZNQCLSA-N 2 1 397.350 4.492 20 0 GIADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461790976 823695949 /nfs/dbraw/zinc/69/59/49/823695949.db2.gz LDWLWRVSSVSJGC-QGZVFWFLSA-N 2 1 383.511 4.142 20 0 GIADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574433742 823727596 /nfs/dbraw/zinc/72/75/96/823727596.db2.gz BSVIBHSUMZIFBK-QHCPKHFHSA-N 2 1 375.516 4.167 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000163694719 823738236 /nfs/dbraw/zinc/73/82/36/823738236.db2.gz DIZLRGQDHYWCHS-LJQANCHMSA-N 2 1 398.547 4.200 20 0 GIADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000163694719 823738244 /nfs/dbraw/zinc/73/82/44/823738244.db2.gz DIZLRGQDHYWCHS-LJQANCHMSA-N 2 1 398.547 4.200 20 0 GIADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486591 823744686 /nfs/dbraw/zinc/74/46/86/823744686.db2.gz KNGZVZQUNJIOIZ-CQSZACIVSA-N 2 1 394.382 4.393 20 0 GIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486591 823744693 /nfs/dbraw/zinc/74/46/93/823744693.db2.gz KNGZVZQUNJIOIZ-CQSZACIVSA-N 2 1 394.382 4.393 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163932995 823762168 /nfs/dbraw/zinc/76/21/68/823762168.db2.gz SCTKBFFKSHIPOH-SFHVURJKSA-N 2 1 386.511 4.166 20 0 GIADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164513650 823806689 /nfs/dbraw/zinc/80/66/89/823806689.db2.gz UPVUIQHIHRQKML-HXUWFJFHSA-N 2 1 397.563 4.182 20 0 GIADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743935 823816453 /nfs/dbraw/zinc/81/64/53/823816453.db2.gz HAWKVTQBDIIUHC-FGTMMUONSA-N 2 1 399.362 4.175 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164708886 823816561 /nfs/dbraw/zinc/81/65/61/823816561.db2.gz ZHZQROLCNFAZSO-QGZVFWFLSA-N 2 1 389.565 4.039 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164977939 823828040 /nfs/dbraw/zinc/82/80/40/823828040.db2.gz OIWFQZYYISMIDT-MDKPJZGXSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164977939 823828046 /nfs/dbraw/zinc/82/80/46/823828046.db2.gz OIWFQZYYISMIDT-MDKPJZGXSA-N 2 1 399.560 4.438 20 0 GIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318677 823843312 /nfs/dbraw/zinc/84/33/12/823843312.db2.gz WRAOJIXADMBYJS-IFMALSPDSA-N 2 1 391.559 4.029 20 0 GIADMP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877610 823849716 /nfs/dbraw/zinc/84/97/16/823849716.db2.gz QPMFPIIMVHZEEQ-LADGPHEKSA-N 2 1 393.575 4.085 20 0 GIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166136914 823870131 /nfs/dbraw/zinc/87/01/31/823870131.db2.gz IWXVGEFTBSYSFK-DHLKQENFSA-N 2 1 378.560 4.451 20 0 GIADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181744 823871798 /nfs/dbraw/zinc/87/17/98/823871798.db2.gz MKNXIUZNELWFBO-ZPMCFJSWSA-N 2 1 395.522 4.284 20 0 GIADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181744 823871801 /nfs/dbraw/zinc/87/18/01/823871801.db2.gz MKNXIUZNELWFBO-ZPMCFJSWSA-N 2 1 395.522 4.284 20 0 GIADMP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166485092 823878565 /nfs/dbraw/zinc/87/85/65/823878565.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 2 1 386.543 4.315 20 0 GIADMP Clc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1Cl ZINC000166605650 823879981 /nfs/dbraw/zinc/87/99/81/823879981.db2.gz KXRMFZBJCLTMPK-ZWKOTPCHSA-N 2 1 382.379 4.174 20 0 GIADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1F ZINC000126683076 823926240 /nfs/dbraw/zinc/92/62/40/823926240.db2.gz ZLTAPGYSRPAENQ-KRWDZBQOSA-N 2 1 387.568 4.146 20 0 GIADMP c1csc(C[N@@H+]2CCC[C@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770547 823947035 /nfs/dbraw/zinc/94/70/35/823947035.db2.gz DAISKHDTAHCFGT-LJQANCHMSA-N 2 1 375.626 4.347 20 0 GIADMP c1csc(CN2CCC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770547 823947042 /nfs/dbraw/zinc/94/70/42/823947042.db2.gz DAISKHDTAHCFGT-LJQANCHMSA-N 2 1 375.626 4.347 20 0 GIADMP Cc1ccc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414453947 823988031 /nfs/dbraw/zinc/98/80/31/823988031.db2.gz CGCDQBHGRLRIDG-XMMPIXPASA-N 2 1 378.564 4.442 20 0 GIADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785892 823995183 /nfs/dbraw/zinc/99/51/83/823995183.db2.gz ABHWMKFORJDQEU-JQOLTRQRSA-N 2 1 380.576 4.116 20 0 GIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948757 824053315 /nfs/dbraw/zinc/05/33/15/824053315.db2.gz YZVVHVRHFBKNDG-BFUOFWGJSA-N 2 1 392.330 4.333 20 0 GIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427569 718946651 /nfs/dbraw/zinc/94/66/51/718946651.db2.gz FQFSTEJCZVVWOT-DNVJHFABSA-N 2 1 376.548 4.094 20 0 GIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)cs1 ZINC001164691570 719811385 /nfs/dbraw/zinc/81/13/85/719811385.db2.gz HNRGUMPVZKGDHM-UHFFFAOYSA-N 2 1 397.592 4.082 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843159 720627152 /nfs/dbraw/zinc/62/71/52/720627152.db2.gz WZTABGTZKNPRJZ-YPAWHYETSA-N 2 1 389.547 4.118 20 0 GIADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843159 720627169 /nfs/dbraw/zinc/62/71/69/720627169.db2.gz WZTABGTZKNPRJZ-YPAWHYETSA-N 2 1 389.547 4.118 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995038 722207501 /nfs/dbraw/zinc/20/75/01/722207501.db2.gz KLZIBNYATVJCEO-XMMPIXPASA-N 2 1 394.538 4.061 20 0 GIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000056184906 823098071 /nfs/dbraw/zinc/09/80/71/823098071.db2.gz OYDBLQLXDWMTDN-HNNXBMFYSA-N 2 1 398.576 4.294 20 0 GIADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391575 823176434 /nfs/dbraw/zinc/17/64/34/823176434.db2.gz FZPZYXBEDNUASF-GOSISDBHSA-N 2 1 377.960 4.257 20 0 GIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375901 823176544 /nfs/dbraw/zinc/17/65/44/823176544.db2.gz KRFVDESCOLAKIE-IBGZPJMESA-N 2 1 381.568 4.414 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375901 823176547 /nfs/dbraw/zinc/17/65/47/823176547.db2.gz KRFVDESCOLAKIE-IBGZPJMESA-N 2 1 381.568 4.414 20 0 GIADMP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459401969 823184988 /nfs/dbraw/zinc/18/49/88/823184988.db2.gz OAEPLTDFTIHLBP-HXUWFJFHSA-N 2 1 389.421 4.369 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000056629402 823185466 /nfs/dbraw/zinc/18/54/66/823185466.db2.gz NCQOYDPQZQLLRN-GOSISDBHSA-N 2 1 383.540 4.051 20 0 GIADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466692 823186985 /nfs/dbraw/zinc/18/69/85/823186985.db2.gz DKKBVRCDFBBLKN-RBBKRZOGSA-N 2 1 382.548 4.119 20 0 GIADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466693 823187062 /nfs/dbraw/zinc/18/70/62/823187062.db2.gz DKKBVRCDFBBLKN-UNMCSNQZSA-N 2 1 382.548 4.119 20 0 GIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545047 823198639 /nfs/dbraw/zinc/19/86/39/823198639.db2.gz NURBCKLCEVIHIU-KXBFYZLASA-N 2 1 386.458 4.127 20 0 GIADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(Cl)cc1 ZINC000571601701 823206048 /nfs/dbraw/zinc/20/60/48/823206048.db2.gz FFXJEMFVZZIFCN-UHFFFAOYSA-N 2 1 386.927 4.081 20 0 GIADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000188278760 823213203 /nfs/dbraw/zinc/21/32/03/823213203.db2.gz QUVHVSDNIBMXPO-KRWDZBQOSA-N 2 1 395.385 4.005 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000188626774 823275732 /nfs/dbraw/zinc/27/57/32/823275732.db2.gz HOKQSDXJHVNFSP-UCLAIMLFSA-N 2 1 381.442 4.315 20 0 GIADMP C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(-n2cncn2)cc1Cl ZINC000572209237 823300791 /nfs/dbraw/zinc/30/07/91/823300791.db2.gz SAYWJGOVYRGCKM-MRXNPFEDSA-N 2 1 392.894 4.016 20 0 GIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764485 823299888 /nfs/dbraw/zinc/29/98/88/823299888.db2.gz CHJOZSJZABRXGU-ROUUACIJSA-N 2 1 383.536 4.497 20 0 GIADMP C[C@H](O)[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929138 823329718 /nfs/dbraw/zinc/32/97/18/823329718.db2.gz XLQWUFWDSAZAFM-CPJSRVTESA-N 2 1 398.566 4.052 20 0 GIADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000017313842 818508612 /nfs/dbraw/zinc/50/86/12/818508612.db2.gz QVIQOZKMWXRYFI-UHFFFAOYSA-N 2 1 386.499 4.469 20 0 GIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642217 823373902 /nfs/dbraw/zinc/37/39/02/823373902.db2.gz UIQVRQMYNVTUCF-QFIPXVFZSA-N 2 1 378.564 4.215 20 0 GIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642217 823373910 /nfs/dbraw/zinc/37/39/10/823373910.db2.gz UIQVRQMYNVTUCF-QFIPXVFZSA-N 2 1 378.564 4.215 20 0 GIADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374519 /nfs/dbraw/zinc/37/45/19/823374519.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374522 /nfs/dbraw/zinc/37/45/22/823374522.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374529 /nfs/dbraw/zinc/37/45/29/823374529.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374536 /nfs/dbraw/zinc/37/45/36/823374536.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 2 1 380.532 4.110 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000572719364 823388583 /nfs/dbraw/zinc/38/85/83/823388583.db2.gz XOGSAWRLDWRIKN-KKSFZXQISA-N 2 1 376.504 4.084 20 0 GIADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413850 /nfs/dbraw/zinc/41/38/50/823413850.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413851 /nfs/dbraw/zinc/41/38/51/823413851.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413853 /nfs/dbraw/zinc/41/38/53/823413853.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 2 1 382.548 4.497 20 0 GIADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413855 /nfs/dbraw/zinc/41/38/55/823413855.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 2 1 382.548 4.497 20 0 GIADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414498 /nfs/dbraw/zinc/41/44/98/823414498.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414499 /nfs/dbraw/zinc/41/44/99/823414499.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414500 /nfs/dbraw/zinc/41/45/00/823414500.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414501 /nfs/dbraw/zinc/41/45/01/823414501.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414511 /nfs/dbraw/zinc/41/45/11/823414511.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414512 /nfs/dbraw/zinc/41/45/12/823414512.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414513 /nfs/dbraw/zinc/41/45/13/823414513.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414514 /nfs/dbraw/zinc/41/45/14/823414514.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 2 1 395.263 4.120 20 0 GIADMP NC(=O)[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025501769 819992115 /nfs/dbraw/zinc/99/21/15/819992115.db2.gz WOIMCRXZMOOAKS-VWLOTQADSA-N 2 1 399.538 4.266 20 0 GIADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371443 823447695 /nfs/dbraw/zinc/44/76/95/823447695.db2.gz POXLOFNZVMRORZ-LPHOPBHVSA-N 2 1 393.597 4.120 20 0 GIADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371443 823447698 /nfs/dbraw/zinc/44/76/98/823447698.db2.gz POXLOFNZVMRORZ-LPHOPBHVSA-N 2 1 393.597 4.120 20 0 GIADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503495 823478227 /nfs/dbraw/zinc/47/82/27/823478227.db2.gz MWLPDTCYSYPDID-KSZLIROESA-N 2 1 377.573 4.244 20 0 GIADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503495 823478229 /nfs/dbraw/zinc/47/82/29/823478229.db2.gz MWLPDTCYSYPDID-KSZLIROESA-N 2 1 377.573 4.244 20 0 GIADMP c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907274 820706770 /nfs/dbraw/zinc/70/67/70/820706770.db2.gz PKGJVPPETXKEEA-OAQYLSRUSA-N 2 1 386.543 4.172 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189858540 823506928 /nfs/dbraw/zinc/50/69/28/823506928.db2.gz MZSJBXCYZYGOFX-LBPRGKRZSA-N 2 1 377.357 4.046 20 0 GIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008072 823524998 /nfs/dbraw/zinc/52/49/98/823524998.db2.gz XOIOQFFAFMQCEZ-KNQAVFIVSA-N 2 1 383.536 4.101 20 0 GIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008072 823525001 /nfs/dbraw/zinc/52/50/01/823525001.db2.gz XOIOQFFAFMQCEZ-KNQAVFIVSA-N 2 1 383.536 4.101 20 0 GIADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000177778702 823525039 /nfs/dbraw/zinc/52/50/39/823525039.db2.gz JINIQSWHKBKXCD-RPWUZVMVSA-N 2 1 391.559 4.017 20 0 GIADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000177778702 823525041 /nfs/dbraw/zinc/52/50/41/823525041.db2.gz JINIQSWHKBKXCD-RPWUZVMVSA-N 2 1 391.559 4.017 20 0 GIADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000177778702 823525042 /nfs/dbraw/zinc/52/50/42/823525042.db2.gz JINIQSWHKBKXCD-RPWUZVMVSA-N 2 1 391.559 4.017 20 0 GIADMP COc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2c1 ZINC000180644066 821380047 /nfs/dbraw/zinc/38/00/47/821380047.db2.gz NHCCRYPLBNWPEF-KOSHJBKYSA-N 2 1 390.527 4.266 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000180861344 821499451 /nfs/dbraw/zinc/49/94/51/821499451.db2.gz WQMRTZYTBAAJAE-HNNXBMFYSA-N 2 1 377.467 4.100 20 0 GIADMP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181202989 821694980 /nfs/dbraw/zinc/69/49/80/821694980.db2.gz XDJCDTZIAULCJI-PKOBYXMFSA-N 2 1 391.563 4.429 20 0 GIADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)oc21 ZINC000181416093 821814265 /nfs/dbraw/zinc/81/42/65/821814265.db2.gz CJOQLGPRBNSPDD-QGZVFWFLSA-N 2 1 380.488 4.124 20 0 GIADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)oc21 ZINC000181541764 821874254 /nfs/dbraw/zinc/87/42/54/821874254.db2.gz ATXLXGOIXVPGPC-SFHVURJKSA-N 2 1 393.531 4.040 20 0 GIADMP COc1cccc2cc([C@H](C)[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)oc21 ZINC000181863150 822019624 /nfs/dbraw/zinc/01/96/24/822019624.db2.gz KNZOABVMKRAQBR-HNNXBMFYSA-N 2 1 380.492 4.168 20 0 GIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225058 822155783 /nfs/dbraw/zinc/15/57/83/822155783.db2.gz DIJPIXMNSGGPBE-GGAORHGYSA-N 2 1 382.548 4.201 20 0 GIADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000182237744 822161207 /nfs/dbraw/zinc/16/12/07/822161207.db2.gz ZBQSIKVASWOWRS-VWNXMTODSA-N 2 1 382.548 4.283 20 0 GIADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242012 822163460 /nfs/dbraw/zinc/16/34/60/822163460.db2.gz GSUFOIDOLJZCMX-ISKFKSNPSA-N 2 1 394.559 4.264 20 0 GIADMP CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182350728 822210630 /nfs/dbraw/zinc/21/06/30/822210630.db2.gz LXLLBHRYTDDMMU-SFHVURJKSA-N 2 1 383.536 4.326 20 0 GIADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000178002540 822277926 /nfs/dbraw/zinc/27/79/26/822277926.db2.gz MOQABIGRTAKUPS-LJQANCHMSA-N 2 1 386.584 4.257 20 0 GIADMP CC[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000178002540 822277936 /nfs/dbraw/zinc/27/79/36/822277936.db2.gz MOQABIGRTAKUPS-LJQANCHMSA-N 2 1 386.584 4.257 20 0 GIADMP CC[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000178002540 822277947 /nfs/dbraw/zinc/27/79/47/822277947.db2.gz MOQABIGRTAKUPS-LJQANCHMSA-N 2 1 386.584 4.257 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cc1C[NH+]1CCCCC1 ZINC000182539403 822290826 /nfs/dbraw/zinc/29/08/26/822290826.db2.gz FVGPDRPQGDMYBM-QGZVFWFLSA-N 2 1 382.504 4.261 20 0 GIADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038267 822293449 /nfs/dbraw/zinc/29/34/49/822293449.db2.gz ISPFUIYNMQIZTK-IXDOHACOSA-N 2 1 388.581 4.054 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000178133238 822328740 /nfs/dbraw/zinc/32/87/40/822328740.db2.gz XNKDCGQPSHFQFQ-SFHVURJKSA-N 2 1 376.504 4.395 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000178409498 822376533 /nfs/dbraw/zinc/37/65/33/822376533.db2.gz NCGZEODNMVKLAN-UHFFFAOYSA-N 2 1 383.511 4.431 20 0 GIADMP Cc1cc(Br)c(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000453587713 822389244 /nfs/dbraw/zinc/38/92/44/822389244.db2.gz KVDIKXZYWKDIPZ-UHFFFAOYSA-N 2 1 380.355 4.281 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178696196 822403616 /nfs/dbraw/zinc/40/36/16/822403616.db2.gz XXJOIFHAODVDSQ-DYVFJYSZSA-N 2 1 378.314 4.094 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178696185 822403674 /nfs/dbraw/zinc/40/36/74/822403674.db2.gz XXJOIFHAODVDSQ-GUYCJALGSA-N 2 1 378.314 4.094 20 0 GIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103013 822424645 /nfs/dbraw/zinc/42/46/45/822424645.db2.gz ZCBGWSQFPYVHLD-YLJYHZDGSA-N 2 1 399.583 4.438 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136499 822429089 /nfs/dbraw/zinc/42/90/89/822429089.db2.gz DNOKEXODFQVWNI-IAGOWNOFSA-N 2 1 394.494 4.018 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142871 822430233 /nfs/dbraw/zinc/43/02/33/822430233.db2.gz CGNHUODZRSNYCA-ZIAGYGMSSA-N 2 1 384.430 4.137 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000183143830 822430526 /nfs/dbraw/zinc/43/05/26/822430526.db2.gz OWKUOJNHTKTTOS-CEXWTWQISA-N 2 1 390.531 4.140 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000183149989 822431665 /nfs/dbraw/zinc/43/16/65/822431665.db2.gz XFYBXWSZDALPIV-GOSISDBHSA-N 2 1 390.531 4.417 20 0 GIADMP COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000183150254 822431705 /nfs/dbraw/zinc/43/17/05/822431705.db2.gz QOTGQRYUSLKUMI-CQSZACIVSA-N 2 1 398.894 4.132 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183153000 822432128 /nfs/dbraw/zinc/43/21/28/822432128.db2.gz ALHSHBHMPGMYGH-IAGOWNOFSA-N 2 1 399.498 4.407 20 0 GIADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183152828 822432180 /nfs/dbraw/zinc/43/21/80/822432180.db2.gz ARYPWPNEIUXNAC-HZPDHXFCSA-N 2 1 390.487 4.061 20 0 GIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000183193837 822439191 /nfs/dbraw/zinc/43/91/91/822439191.db2.gz NLTMXXZWFCKDTL-JENIJYKNSA-N 2 1 384.568 4.274 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(Cl)nc3)CC2)cs1 ZINC000179125019 822441107 /nfs/dbraw/zinc/44/11/07/822441107.db2.gz ILFSLQUGFPLLIK-CQSZACIVSA-N 2 1 378.973 4.317 20 0 GIADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454520490 822490544 /nfs/dbraw/zinc/49/05/44/822490544.db2.gz XLNVFXALCXUIFR-FQEVSTJZSA-N 2 1 383.540 4.003 20 0 GIADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454520490 822490547 /nfs/dbraw/zinc/49/05/47/822490547.db2.gz XLNVFXALCXUIFR-FQEVSTJZSA-N 2 1 383.540 4.003 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672277 822509016 /nfs/dbraw/zinc/50/90/16/822509016.db2.gz WBRPAPGVZCWKJS-ROUUACIJSA-N 2 1 376.504 4.475 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682878 822510675 /nfs/dbraw/zinc/51/06/75/822510675.db2.gz UAOIITRDYQSQDI-FUHWJXTLSA-N 2 1 384.524 4.088 20 0 GIADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cncc(Br)c1 ZINC000183733707 822518464 /nfs/dbraw/zinc/51/84/64/822518464.db2.gz GPQKZLNQXHWDFR-HOTGVXAUSA-N 2 1 388.353 4.090 20 0 GIADMP Fc1ccc(-c2noc(CCC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000184171999 822590503 /nfs/dbraw/zinc/59/05/03/822590503.db2.gz RDGLRHNPGJMVKM-UHFFFAOYSA-N 2 1 394.494 4.063 20 0 GIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000048750379 822681389 /nfs/dbraw/zinc/68/13/89/822681389.db2.gz APTBUEZHHYDBKR-UHFFFAOYSA-N 2 1 375.476 4.126 20 0 GIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000048816664 822684160 /nfs/dbraw/zinc/68/41/60/822684160.db2.gz YNJNHUOPJZCXTC-CALCHBBNSA-N 2 1 396.560 4.037 20 0 GIADMP CCc1cccc(C)c1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184755568 822686393 /nfs/dbraw/zinc/68/63/93/822686393.db2.gz DDWGWNXIAIBGCL-PMACEKPBSA-N 2 1 393.575 4.242 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccccc3)c3ccccn3)CC2)oc1C ZINC000180524103 822696015 /nfs/dbraw/zinc/69/60/15/822696015.db2.gz UDUXUJIIWSTVPX-XMMPIXPASA-N 2 1 390.531 4.278 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455875167 822740882 /nfs/dbraw/zinc/74/08/82/822740882.db2.gz APUKJWQEQAARRY-HSZRJFAPSA-N 2 1 394.563 4.397 20 0 GIADMP C[N@@H+](CCN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1)Cc1ccccc1 ZINC000185509832 822791918 /nfs/dbraw/zinc/79/19/18/822791918.db2.gz WHKCNLGIBWRCSO-UHFFFAOYSA-N 2 1 397.529 4.105 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000174452844 822792012 /nfs/dbraw/zinc/79/20/12/822792012.db2.gz NTPPECUTUUSANV-UHFFFAOYSA-N 2 1 386.503 4.009 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729326 822815396 /nfs/dbraw/zinc/81/53/96/822815396.db2.gz WQUJTIJUZDUTFL-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729326 822815400 /nfs/dbraw/zinc/81/54/00/822815400.db2.gz WQUJTIJUZDUTFL-YESZJQIVSA-N 2 1 377.960 4.218 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744365 822816991 /nfs/dbraw/zinc/81/69/91/822816991.db2.gz OIUIXPSXFAIGIC-SELNLUPBSA-N 2 1 393.575 4.260 20 0 GIADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744365 822816996 /nfs/dbraw/zinc/81/69/96/822816996.db2.gz OIUIXPSXFAIGIC-SELNLUPBSA-N 2 1 393.575 4.260 20 0 GIADMP COc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1OC ZINC000569312429 822905872 /nfs/dbraw/zinc/90/58/72/822905872.db2.gz IGQXXSXALDLKSI-KOUNCHBCSA-N 2 1 380.532 4.032 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175216333 822906593 /nfs/dbraw/zinc/90/65/93/822906593.db2.gz MWLMKLKUKZSWAS-YLJYHZDGSA-N 2 1 383.540 4.001 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000175216333 822906596 /nfs/dbraw/zinc/90/65/96/822906596.db2.gz MWLMKLKUKZSWAS-YLJYHZDGSA-N 2 1 383.540 4.001 20 0 GIADMP CC(CC[NH+]1CC[C@@H](c2cccnc2)C1)CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569336967 822908897 /nfs/dbraw/zinc/90/88/97/822908897.db2.gz VLOASOAQWKBGOA-DNQXCXABSA-N 2 1 378.564 4.172 20 0 GIADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000569511738 822932361 /nfs/dbraw/zinc/93/23/61/822932361.db2.gz JWBFQGCZBFICJL-OWZKRDHZSA-N 2 1 389.465 4.428 20 0 GIADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411223066 823558497 /nfs/dbraw/zinc/55/84/97/823558497.db2.gz HFGVIEBVPDEPLK-HSZRJFAPSA-N 2 1 399.604 4.148 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411629564 823592324 /nfs/dbraw/zinc/59/23/24/823592324.db2.gz DCPBXUIKEDVMQT-UHFFFAOYSA-N 2 1 387.915 4.104 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411629564 823592327 /nfs/dbraw/zinc/59/23/27/823592327.db2.gz DCPBXUIKEDVMQT-UHFFFAOYSA-N 2 1 387.915 4.104 20 0 GIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124545590 823605281 /nfs/dbraw/zinc/60/52/81/823605281.db2.gz CWSUMCMMOHZPBT-CYBMUJFWSA-N 2 1 390.163 4.032 20 0 GIADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124683592 823616985 /nfs/dbraw/zinc/61/69/85/823616985.db2.gz MZXCTJOTTMMYHP-UHFFFAOYSA-N 2 1 383.323 4.239 20 0 GIADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124683592 823616986 /nfs/dbraw/zinc/61/69/86/823616986.db2.gz MZXCTJOTTMMYHP-UHFFFAOYSA-N 2 1 383.323 4.239 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146743 823653603 /nfs/dbraw/zinc/65/36/03/823653603.db2.gz HBAPRTKXIGCIDW-OTWHNJEPSA-N 2 1 398.595 4.407 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479271 823689329 /nfs/dbraw/zinc/68/93/29/823689329.db2.gz CMBIQXCSPAOGAA-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479271 823689330 /nfs/dbraw/zinc/68/93/30/823689330.db2.gz CMBIQXCSPAOGAA-INIZCTEOSA-N 2 1 376.932 4.147 20 0 GIADMP Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccccc4Cl)CC3)CC2)[nH+]c1 ZINC000163476319 823713705 /nfs/dbraw/zinc/71/37/05/823713705.db2.gz MDKWYVTVDXGZGI-UHFFFAOYSA-N 2 1 398.982 4.266 20 0 GIADMP COC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000163505607 823716389 /nfs/dbraw/zinc/71/63/89/823716389.db2.gz MZQVIRJXYIZVQV-LJQANCHMSA-N 2 1 393.453 4.355 20 0 GIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451966 823734628 /nfs/dbraw/zinc/73/46/28/823734628.db2.gz YZYBZBWGXUKIPM-RTWAWAEBSA-N 2 1 378.516 4.003 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451966 823734636 /nfs/dbraw/zinc/73/46/36/823734636.db2.gz YZYBZBWGXUKIPM-RTWAWAEBSA-N 2 1 378.516 4.003 20 0 GIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486590 823744568 /nfs/dbraw/zinc/74/45/68/823744568.db2.gz KNGZVZQUNJIOIZ-AWEZNQCLSA-N 2 1 394.382 4.393 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486590 823744573 /nfs/dbraw/zinc/74/45/73/823744573.db2.gz KNGZVZQUNJIOIZ-AWEZNQCLSA-N 2 1 394.382 4.393 20 0 GIADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163955229 823765535 /nfs/dbraw/zinc/76/55/35/823765535.db2.gz LTVJYUYIOMHTFP-DFBJGRDBSA-N 2 1 394.559 4.199 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962150 823766128 /nfs/dbraw/zinc/76/61/28/823766128.db2.gz SCASHISCQRGZDT-XMMPIXPASA-N 2 1 398.522 4.092 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1)C1CCOCC1 ZINC000163970570 823766813 /nfs/dbraw/zinc/76/68/13/823766813.db2.gz CGIRRTKYKGMUTL-VWLOTQADSA-N 2 1 394.559 4.343 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970225 823766888 /nfs/dbraw/zinc/76/68/88/823766888.db2.gz SDHOVTWWOKTSMI-SFHVURJKSA-N 2 1 386.511 4.166 20 0 GIADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461982756 823781519 /nfs/dbraw/zinc/78/15/19/823781519.db2.gz HMLTXCWMSJNUAB-DEOSSOPVSA-N 2 1 393.575 4.265 20 0 GIADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461984989 823782733 /nfs/dbraw/zinc/78/27/33/823782733.db2.gz FNFMJUFFNDPTIB-DEOSSOPVSA-N 2 1 391.559 4.318 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000164509016 823806053 /nfs/dbraw/zinc/80/60/53/823806053.db2.gz HBGBSTOIJAEFRW-UHFFFAOYSA-N 2 1 390.531 4.065 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523479 823806718 /nfs/dbraw/zinc/80/67/18/823806718.db2.gz ZNHRFQMYWMLAAQ-KRWDZBQOSA-N 2 1 378.472 4.491 20 0 GIADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743936 823816434 /nfs/dbraw/zinc/81/64/34/823816434.db2.gz HAWKVTQBDIIUHC-KZNAEPCWSA-N 2 1 399.362 4.175 20 0 GIADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963660 823827187 /nfs/dbraw/zinc/82/71/87/823827187.db2.gz HMHQZGCAAHZEQE-ZJSXRUAMSA-N 2 1 397.632 4.428 20 0 GIADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2COc2ccccc2Cl)CC1 ZINC000462124501 823837084 /nfs/dbraw/zinc/83/70/84/823837084.db2.gz VLOVMLJFWRBLKW-UHFFFAOYSA-N 2 1 388.939 4.119 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300150 823842625 /nfs/dbraw/zinc/84/26/25/823842625.db2.gz MDVZKDLRZFORBL-QUCCMNQESA-N 2 1 391.559 4.132 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330578 823843672 /nfs/dbraw/zinc/84/36/72/823843672.db2.gz ZEZXGAGIVZCJPD-URXFXBBRSA-N 2 1 388.559 4.147 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330578 823843682 /nfs/dbraw/zinc/84/36/82/823843682.db2.gz ZEZXGAGIVZCJPD-URXFXBBRSA-N 2 1 388.559 4.147 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555221 823853705 /nfs/dbraw/zinc/85/37/05/823853705.db2.gz YTFPJJJMTYEKBN-CJFMBICVSA-N 2 1 388.559 4.418 20 0 GIADMP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000165981669 823867470 /nfs/dbraw/zinc/86/74/70/823867470.db2.gz VRIRLCPIHQKAQT-IFMALSPDSA-N 2 1 397.607 4.058 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126509562 823887576 /nfs/dbraw/zinc/88/75/76/823887576.db2.gz DVNPKPCDBXUZEM-HNSVSWJLSA-N 2 1 383.458 4.027 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126509562 823887582 /nfs/dbraw/zinc/88/75/82/823887582.db2.gz DVNPKPCDBXUZEM-HNSVSWJLSA-N 2 1 383.458 4.027 20 0 GIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053506 823900705 /nfs/dbraw/zinc/90/07/05/823900705.db2.gz ODPLAAZJQLOHNJ-AOHZBQACSA-N 2 1 394.584 4.477 20 0 GIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053506 823900711 /nfs/dbraw/zinc/90/07/11/823900711.db2.gz ODPLAAZJQLOHNJ-AOHZBQACSA-N 2 1 394.584 4.477 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081959 823904930 /nfs/dbraw/zinc/90/49/30/823904930.db2.gz FHPGKWXASBPRLK-RBUKOAKNSA-N 2 1 377.573 4.075 20 0 GIADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199017 823927050 /nfs/dbraw/zinc/92/70/50/823927050.db2.gz XCAYNXWRKGEHOX-WOJBJXKFSA-N 2 1 392.547 4.296 20 0 GIADMP Fc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342628 823961743 /nfs/dbraw/zinc/96/17/43/823961743.db2.gz ITUBULANWGMBDZ-KOVSNXQUSA-N 2 1 379.523 4.190 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000414897747 824047123 /nfs/dbraw/zinc/04/71/23/824047123.db2.gz FLRBZIDQVXOJPT-UHFFFAOYSA-N 2 1 391.519 4.048 20 0 GIADMP CCCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC[NH2+]CC1 ZINC000414905812 824048598 /nfs/dbraw/zinc/04/85/98/824048598.db2.gz OXDPALUSNDWJMA-UHFFFAOYSA-N 2 1 383.540 4.051 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413129 718881831 /nfs/dbraw/zinc/88/18/31/718881831.db2.gz CDPBXKRMFXFWKH-QZTJIDSGSA-N 2 1 396.501 4.282 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792625 721496840 /nfs/dbraw/zinc/49/68/40/721496840.db2.gz SOHUQSRAPNSLFH-UHFFFAOYSA-N 2 1 380.536 4.145 20 0 GIADMP FC1(F)CCN(c2ccc3c([nH+]2)CCCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907933 721699654 /nfs/dbraw/zinc/69/96/54/721699654.db2.gz WSDNYWMWXBABIT-JOCHJYFZSA-N 2 1 398.501 4.093 20 0 GIADMP FC1(F)CCN(c2ccc3c([nH+]2)CCCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907933 721699655 /nfs/dbraw/zinc/69/96/55/721699655.db2.gz WSDNYWMWXBABIT-JOCHJYFZSA-N 2 1 398.501 4.093 20 0 GIADMP C[N@@H+](Cc1ccc(N2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209861 /nfs/dbraw/zinc/20/98/61/722209861.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 2 1 394.538 4.060 20 0 GIADMP C[NH+](Cc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209864 /nfs/dbraw/zinc/20/98/64/722209864.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 2 1 394.538 4.060 20 0 GIADMP C[NH+](Cc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209866 /nfs/dbraw/zinc/20/98/66/722209866.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 2 1 394.538 4.060 20 0 GIADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164997516 722212829 /nfs/dbraw/zinc/21/28/29/722212829.db2.gz RCWXBTSIJVFJKS-XMMPIXPASA-N 2 1 394.538 4.061 20 0 GIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083102 823129483 /nfs/dbraw/zinc/12/94/83/823129483.db2.gz BXBHPPUMZCUHHY-NRFANRHFSA-N 2 1 380.532 4.381 20 0 GIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083102 823129486 /nfs/dbraw/zinc/12/94/86/823129486.db2.gz BXBHPPUMZCUHHY-NRFANRHFSA-N 2 1 380.532 4.381 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(F)cc(C)cc3Cl)CC2)oc1C ZINC000459407365 823186556 /nfs/dbraw/zinc/18/65/56/823186556.db2.gz PDEHLYPAIVDQNW-UHFFFAOYSA-N 2 1 379.907 4.394 20 0 GIADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466691 823187120 /nfs/dbraw/zinc/18/71/20/823187120.db2.gz DKKBVRCDFBBLKN-IRLDBZIGSA-N 2 1 382.548 4.119 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000121502740 823195980 /nfs/dbraw/zinc/19/59/80/823195980.db2.gz YSUQDMXANNDYLN-DYVFJYSZSA-N 2 1 378.314 4.094 20 0 GIADMP CC(C)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471447 823199108 /nfs/dbraw/zinc/19/91/08/823199108.db2.gz TZLSLNKGXBACDU-LEWJYISDSA-N 2 1 379.951 4.219 20 0 GIADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccc(Br)cc3)CC2)[nH+]1 ZINC000188208614 823203408 /nfs/dbraw/zinc/20/34/08/823203408.db2.gz NOFAOAMNHCPETM-MRXNPFEDSA-N 2 1 388.353 4.342 20 0 GIADMP CCOc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc(Br)c1O ZINC000571761107 823231413 /nfs/dbraw/zinc/23/14/13/823231413.db2.gz HGRPDTQSSBHXGJ-UHFFFAOYSA-N 2 1 399.373 4.106 20 0 GIADMP CCOc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc(Br)c1O ZINC000571761107 823231417 /nfs/dbraw/zinc/23/14/17/823231417.db2.gz HGRPDTQSSBHXGJ-UHFFFAOYSA-N 2 1 399.373 4.106 20 0 GIADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc(Br)c1O ZINC000571761107 823231419 /nfs/dbraw/zinc/23/14/19/823231419.db2.gz HGRPDTQSSBHXGJ-UHFFFAOYSA-N 2 1 399.373 4.106 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132878 823288303 /nfs/dbraw/zinc/28/83/03/823288303.db2.gz QEPRDDVSIVUXPB-XZOQPEGZSA-N 2 1 397.607 4.025 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000122094010 823305476 /nfs/dbraw/zinc/30/54/76/823305476.db2.gz XQSKFAJIEDDUGF-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382857 823330371 /nfs/dbraw/zinc/33/03/71/823330371.db2.gz JLMKJECXUBOFAC-FQEVSTJZSA-N 2 1 397.588 4.039 20 0 GIADMP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000058061138 823358513 /nfs/dbraw/zinc/35/85/13/823358513.db2.gz SBUAMKRYCDYQCN-OAHLLOKOSA-N 2 1 399.373 4.066 20 0 GIADMP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000058061138 823358517 /nfs/dbraw/zinc/35/85/17/823358517.db2.gz SBUAMKRYCDYQCN-OAHLLOKOSA-N 2 1 399.373 4.066 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCc3ccc(F)cc3F)CC2)oc1C ZINC000572548790 823359157 /nfs/dbraw/zinc/35/91/57/823359157.db2.gz PXXRWMMGXLMNOC-HNNXBMFYSA-N 2 1 391.506 4.393 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361342 823363916 /nfs/dbraw/zinc/36/39/16/823363916.db2.gz HBPALQNLVKEFQN-CYGODWOOSA-N 2 1 399.966 4.333 20 0 GIADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361342 823363920 /nfs/dbraw/zinc/36/39/20/823363920.db2.gz HBPALQNLVKEFQN-CYGODWOOSA-N 2 1 399.966 4.333 20 0 GIADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671142 823379589 /nfs/dbraw/zinc/37/95/89/823379589.db2.gz ROXPQGCJGQDXPQ-LPHOPBHVSA-N 2 1 390.474 4.297 20 0 GIADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414377 /nfs/dbraw/zinc/41/43/77/823414377.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414381 /nfs/dbraw/zinc/41/43/81/823414381.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414383 /nfs/dbraw/zinc/41/43/83/823414383.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 2 1 395.263 4.120 20 0 GIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414386 /nfs/dbraw/zinc/41/43/86/823414386.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 2 1 395.263 4.120 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979054 823429289 /nfs/dbraw/zinc/42/92/89/823429289.db2.gz QXBYVGBVDVOJLZ-ISKFKSNPSA-N 2 1 378.560 4.468 20 0 GIADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979054 823429291 /nfs/dbraw/zinc/42/92/91/823429291.db2.gz QXBYVGBVDVOJLZ-ISKFKSNPSA-N 2 1 378.560 4.468 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000573045987 823439496 /nfs/dbraw/zinc/43/94/96/823439496.db2.gz KYJSCWMFYMPTTE-UHFFFAOYSA-N 2 1 383.515 4.299 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000573045987 823439503 /nfs/dbraw/zinc/43/95/03/823439503.db2.gz KYJSCWMFYMPTTE-UHFFFAOYSA-N 2 1 383.515 4.299 20 0 GIADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000573096740 823446810 /nfs/dbraw/zinc/44/68/10/823446810.db2.gz DTILYSDILUZQQB-VHYCJAOWSA-N 2 1 383.555 4.461 20 0 GIADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475788 823471487 /nfs/dbraw/zinc/47/14/87/823471487.db2.gz YJIACTFZVIZABQ-YKSBVNFPSA-N 2 1 391.559 4.065 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509231 823479244 /nfs/dbraw/zinc/47/92/44/823479244.db2.gz RSDDTQFIFONKDB-KDURUIRLSA-N 2 1 383.536 4.053 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509231 823479250 /nfs/dbraw/zinc/47/92/50/823479250.db2.gz RSDDTQFIFONKDB-KDURUIRLSA-N 2 1 383.536 4.053 20 0 GIADMP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000043391294 821401001 /nfs/dbraw/zinc/40/10/01/821401001.db2.gz CIQQYBXRZKXOEG-UHFFFAOYSA-N 2 1 386.584 4.257 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405355 821809183 /nfs/dbraw/zinc/80/91/83/821809183.db2.gz WZHAQZKWQXTDBU-NVXWUHKLSA-N 2 1 393.622 4.265 20 0 GIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405355 821809184 /nfs/dbraw/zinc/80/91/84/821809184.db2.gz WZHAQZKWQXTDBU-NVXWUHKLSA-N 2 1 393.622 4.265 20 0 GIADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)oc21 ZINC000181416073 821814322 /nfs/dbraw/zinc/81/43/22/821814322.db2.gz CJOQLGPRBNSPDD-KRWDZBQOSA-N 2 1 380.488 4.124 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000181736971 821969465 /nfs/dbraw/zinc/96/94/65/821969465.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000181736971 821969470 /nfs/dbraw/zinc/96/94/70/821969470.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736971 821969479 /nfs/dbraw/zinc/96/94/79/821969479.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 2 1 399.623 4.256 20 0 GIADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000181736971 821969487 /nfs/dbraw/zinc/96/94/87/821969487.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 2 1 399.623 4.256 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000182072501 822081956 /nfs/dbraw/zinc/08/19/56/822081956.db2.gz IFLNFQYBEAOKLG-UHFFFAOYSA-N 2 1 399.535 4.072 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264021 822177414 /nfs/dbraw/zinc/17/74/14/822177414.db2.gz IGMFTPOAFXUJBK-BEFAXECRSA-N 2 1 394.437 4.003 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978671 822267506 /nfs/dbraw/zinc/26/75/06/822267506.db2.gz QDNFRUMKBWDQIM-QGZVFWFLSA-N 2 1 395.526 4.406 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978671 822267513 /nfs/dbraw/zinc/26/75/13/822267513.db2.gz QDNFRUMKBWDQIM-QGZVFWFLSA-N 2 1 395.526 4.406 20 0 GIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C[NH+]1CCCCC1 ZINC000182507188 822273228 /nfs/dbraw/zinc/27/32/28/822273228.db2.gz KHRQLOPGGXTYRB-IBGZPJMESA-N 3 1 385.596 4.206 20 0 GIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C[NH+]1CCCCC1 ZINC000182507206 822273238 /nfs/dbraw/zinc/27/32/38/822273238.db2.gz KHRQLOPGGXTYRB-LJQANCHMSA-N 3 1 385.596 4.206 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000177994119 822274340 /nfs/dbraw/zinc/27/43/40/822274340.db2.gz ZVBJUNWEPANLIL-GOSISDBHSA-N 2 1 388.515 4.154 20 0 GIADMP C[N@@H+](CCCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000453420121 822360371 /nfs/dbraw/zinc/36/03/71/822360371.db2.gz ZEIXPTSRRMXDKU-HXUWFJFHSA-N 2 1 395.385 4.381 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839245 822376266 /nfs/dbraw/zinc/37/62/66/822376266.db2.gz RHNZEPAWSNTSNT-PMACEKPBSA-N 3 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839245 822376271 /nfs/dbraw/zinc/37/62/71/822376271.db2.gz RHNZEPAWSNTSNT-PMACEKPBSA-N 2 1 375.601 4.308 20 0 GIADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000182839245 822376277 /nfs/dbraw/zinc/37/62/77/822376277.db2.gz RHNZEPAWSNTSNT-PMACEKPBSA-N 2 1 375.601 4.308 20 0 GIADMP Cc1ccc(N2CCC(C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)CC2)[nH+]c1 ZINC000178818992 822413618 /nfs/dbraw/zinc/41/36/18/822413618.db2.gz ZEZARFWOBDMROE-UHFFFAOYSA-N 2 1 392.547 4.149 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000183138919 822429494 /nfs/dbraw/zinc/42/94/94/822429494.db2.gz YXECMROFVGEKGO-BXKMTCNYSA-N 2 1 388.515 4.099 20 0 GIADMP Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)c1C ZINC000183157090 822433081 /nfs/dbraw/zinc/43/30/81/822433081.db2.gz QFUCJOPSNOSBPA-HNNXBMFYSA-N 2 1 382.533 4.457 20 0 GIADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191177 822438707 /nfs/dbraw/zinc/43/87/07/822438707.db2.gz GDXWTIORQFIZDL-SFHLNBCPSA-N 2 1 396.579 4.303 20 0 GIADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179223891 822453578 /nfs/dbraw/zinc/45/35/78/822453578.db2.gz AVQMQVAJZVQULG-CYBMUJFWSA-N 2 1 398.370 4.087 20 0 GIADMP Cc1cccc(-c2noc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000179397138 822476849 /nfs/dbraw/zinc/47/68/49/822476849.db2.gz YAHSZKIPGQPEKF-UHFFFAOYSA-N 2 1 391.519 4.179 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454512499 822487975 /nfs/dbraw/zinc/48/79/75/822487975.db2.gz QCYNERNWKKBTGN-UHFFFAOYSA-N 2 1 385.556 4.297 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495919 822491030 /nfs/dbraw/zinc/49/10/30/822491030.db2.gz MFOVERJEXBHLBH-WZONZLPQSA-N 2 1 388.515 4.023 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000183689269 822511806 /nfs/dbraw/zinc/51/18/06/822511806.db2.gz RSUFKJFDGMEIAS-GOSISDBHSA-N 2 1 388.515 4.027 20 0 GIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636194 822517200 /nfs/dbraw/zinc/51/72/00/822517200.db2.gz LOLLLPSRBCFBEX-GOSISDBHSA-N 2 1 378.495 4.062 20 0 GIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636194 822517203 /nfs/dbraw/zinc/51/72/03/822517203.db2.gz LOLLLPSRBCFBEX-GOSISDBHSA-N 2 1 378.495 4.062 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000048084188 822630541 /nfs/dbraw/zinc/63/05/41/822630541.db2.gz FVYMBJQFWMBRBL-LJQANCHMSA-N 2 1 397.567 4.298 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455891571 822743376 /nfs/dbraw/zinc/74/33/76/822743376.db2.gz BUZPQGDGLCSLRX-PWHSHALESA-N 2 1 398.595 4.354 20 0 GIADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000455939947 822753770 /nfs/dbraw/zinc/75/37/70/822753770.db2.gz UAOZBFDLQCKKIZ-FRGLQRNOSA-N 2 1 392.547 4.020 20 0 GIADMP CC[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665213 822808186 /nfs/dbraw/zinc/80/81/86/822808186.db2.gz MLVMVUVRSVQBGT-BLIXFSHQSA-N 2 1 391.987 4.150 20 0 GIADMP CC[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665213 822808188 /nfs/dbraw/zinc/80/81/88/822808188.db2.gz MLVMVUVRSVQBGT-BLIXFSHQSA-N 2 1 391.987 4.150 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674200 822808912 /nfs/dbraw/zinc/80/89/12/822808912.db2.gz MPUZWJCWVAVYNI-GJZGRUSLSA-N 2 1 397.535 4.182 20 0 GIADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674200 822808914 /nfs/dbraw/zinc/80/89/14/822808914.db2.gz MPUZWJCWVAVYNI-GJZGRUSLSA-N 2 1 397.535 4.182 20 0 GIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174598256 822810169 /nfs/dbraw/zinc/81/01/69/822810169.db2.gz LFBQSLCCYFVOKT-IHWFROFDSA-N 2 1 386.971 4.307 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697906 822811237 /nfs/dbraw/zinc/81/12/37/822811237.db2.gz HTPHQLYVOGISER-LVCYWYKZSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697906 822811241 /nfs/dbraw/zinc/81/12/41/822811241.db2.gz HTPHQLYVOGISER-LVCYWYKZSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740277 822816540 /nfs/dbraw/zinc/81/65/40/822816540.db2.gz WWMDYPQCPXLIHA-FIKGOQFSSA-N 2 1 391.625 4.194 20 0 GIADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740277 822816544 /nfs/dbraw/zinc/81/65/44/822816544.db2.gz WWMDYPQCPXLIHA-FIKGOQFSSA-N 2 1 391.625 4.194 20 0 GIADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2ccccc2c1 ZINC000185744328 822816979 /nfs/dbraw/zinc/81/69/79/822816979.db2.gz OIUIXPSXFAIGIC-SFYKDHMMSA-N 2 1 393.575 4.260 20 0 GIADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2ccccc2c1 ZINC000185744328 822816982 /nfs/dbraw/zinc/81/69/82/822816982.db2.gz OIUIXPSXFAIGIC-SFYKDHMMSA-N 2 1 393.575 4.260 20 0 GIADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003225 822868874 /nfs/dbraw/zinc/86/88/74/822868874.db2.gz KCAMPINJHMAIAF-FGZHOGPDSA-N 2 1 379.548 4.099 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017938 822870271 /nfs/dbraw/zinc/87/02/71/822870271.db2.gz YLOANGOGKQIVFM-NRFANRHFSA-N 2 1 379.633 4.150 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000569255099 822897372 /nfs/dbraw/zinc/89/73/72/822897372.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 1 399.373 4.019 20 0 GIADMP CCCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000569255099 822897374 /nfs/dbraw/zinc/89/73/74/822897374.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 1 399.373 4.019 20 0 GIADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000569327004 822908070 /nfs/dbraw/zinc/90/80/70/822908070.db2.gz GACURPNLHJEMOJ-KRWDZBQOSA-N 2 1 384.486 4.434 20 0 GIADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CC12CCOCC2 ZINC000569811059 822971758 /nfs/dbraw/zinc/97/17/58/822971758.db2.gz UOGUPAWUKMRFOQ-MRXNPFEDSA-N 2 1 376.953 4.256 20 0 GIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836625 822974307 /nfs/dbraw/zinc/97/43/07/822974307.db2.gz XHTVQZRZWKWBML-UXHICEINSA-N 2 1 389.547 4.493 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3c(C)c(C)c(C)c(C)c3C)CC2)CC1 ZINC000570105291 823006284 /nfs/dbraw/zinc/00/62/84/823006284.db2.gz XRQNLBLMOPRXRD-UHFFFAOYSA-N 2 1 399.623 4.041 20 0 GIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125680 823014306 /nfs/dbraw/zinc/01/43/06/823014306.db2.gz LUASUQWNUXATIX-LJQANCHMSA-N 2 1 391.559 4.117 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908740 823550883 /nfs/dbraw/zinc/55/08/83/823550883.db2.gz WSGZYUYMFOWGDW-KRWDZBQOSA-N 2 1 380.536 4.273 20 0 GIADMP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000411224560 823558650 /nfs/dbraw/zinc/55/86/50/823558650.db2.gz LFIPRJDMIDFZCO-UHFFFAOYSA-N 2 1 393.575 4.396 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411310195 823563962 /nfs/dbraw/zinc/56/39/62/823563962.db2.gz UEIODPSYSXTGGD-HSZRJFAPSA-N 2 1 399.604 4.150 20 0 GIADMP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)c(C(F)(F)F)n1 ZINC000411395928 823569903 /nfs/dbraw/zinc/56/99/03/823569903.db2.gz ITMCDPPWPVGVBQ-UHFFFAOYSA-N 2 1 380.458 4.057 20 0 GIADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)c(C(F)(F)F)n1 ZINC000411395928 823569906 /nfs/dbraw/zinc/56/99/06/823569906.db2.gz ITMCDPPWPVGVBQ-UHFFFAOYSA-N 2 1 380.458 4.057 20 0 GIADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012144 823572667 /nfs/dbraw/zinc/57/26/67/823572667.db2.gz KRHZMYLVGSNQTQ-UHFFFAOYSA-N 2 1 382.577 4.337 20 0 GIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061070308 823576711 /nfs/dbraw/zinc/57/67/11/823576711.db2.gz RGSXPPAHYJGAGP-UHFFFAOYSA-N 2 1 392.374 4.421 20 0 GIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000061070116 823576716 /nfs/dbraw/zinc/57/67/16/823576716.db2.gz BXNQBOFKCCZQOC-UHFFFAOYSA-N 2 1 392.374 4.421 20 0 GIADMP CC(CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000411507463 823582275 /nfs/dbraw/zinc/58/22/75/823582275.db2.gz ZRDODXMAFWLGCB-DNQXCXABSA-N 2 1 392.628 4.185 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517681 823583792 /nfs/dbraw/zinc/58/37/92/823583792.db2.gz NHTFBZJIKQFXOP-QUCCMNQESA-N 2 1 379.548 4.411 20 0 GIADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000124354111 823589668 /nfs/dbraw/zinc/58/96/68/823589668.db2.gz FAYAENGKJMKQDD-FQEVSTJZSA-N 2 1 398.620 4.051 20 0 GIADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578879 823607998 /nfs/dbraw/zinc/60/79/98/823607998.db2.gz XZBKWPNVMZULDF-OTWHNJEPSA-N 2 1 398.547 4.164 20 0 GIADMP COc1cccc2c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc(C)[nH+]c12 ZINC000124586919 823608725 /nfs/dbraw/zinc/60/87/25/823608725.db2.gz CQVXEXXVCGODIL-UHFFFAOYSA-N 2 1 391.515 4.121 20 0 GIADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124692316 823618042 /nfs/dbraw/zinc/61/80/42/823618042.db2.gz BGKNEJHIHILSHZ-XMMPIXPASA-N 2 1 391.515 4.247 20 0 GIADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124692316 823618045 /nfs/dbraw/zinc/61/80/45/823618045.db2.gz BGKNEJHIHILSHZ-XMMPIXPASA-N 2 1 391.515 4.247 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000125498646 823681047 /nfs/dbraw/zinc/68/10/47/823681047.db2.gz MGZJNQYUDLBNAL-NRFANRHFSA-N 2 1 396.535 4.038 20 0 GIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000063917601 823711521 /nfs/dbraw/zinc/71/15/21/823711521.db2.gz HGJDILYJILGPNL-GOSISDBHSA-N 2 1 385.939 4.414 20 0 GIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000063917601 823711527 /nfs/dbraw/zinc/71/15/27/823711527.db2.gz HGJDILYJILGPNL-GOSISDBHSA-N 2 1 385.939 4.414 20 0 GIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1)C1CCOCC1 ZINC000163970449 823766757 /nfs/dbraw/zinc/76/67/57/823766757.db2.gz CGIRRTKYKGMUTL-RUZDIDTESA-N 2 1 394.559 4.343 20 0 GIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163972528 823767173 /nfs/dbraw/zinc/76/71/73/823767173.db2.gz IJXJLDAPNUTAQW-FQEVSTJZSA-N 2 1 382.548 4.335 20 0 GIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581138 823771528 /nfs/dbraw/zinc/77/15/28/823771528.db2.gz BBWFHTZTSIXALF-GOSISDBHSA-N 2 1 397.563 4.149 20 0 GIADMP Clc1sccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586327 823772804 /nfs/dbraw/zinc/77/28/04/823772804.db2.gz BWFRUGDBUYGPDS-IBGZPJMESA-N 2 1 390.980 4.420 20 0 GIADMP Clc1sccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586327 823772807 /nfs/dbraw/zinc/77/28/07/823772807.db2.gz BWFRUGDBUYGPDS-IBGZPJMESA-N 2 1 390.980 4.420 20 0 GIADMP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461977480 823779475 /nfs/dbraw/zinc/77/94/75/823779475.db2.gz NWWKKWXQKFOXBU-HSZRJFAPSA-N 2 1 385.596 4.010 20 0 GIADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000574713411 823806295 /nfs/dbraw/zinc/80/62/95/823806295.db2.gz IZWUJYLNAQMDKK-UHFFFAOYSA-N 2 1 384.483 4.388 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000164575315 823809760 /nfs/dbraw/zinc/80/97/60/823809760.db2.gz CWSSMMOLIKNILQ-FQEVSTJZSA-N 2 1 391.559 4.178 20 0 GIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000164710075 823816702 /nfs/dbraw/zinc/81/67/02/823816702.db2.gz QFIWZDYUNYQVAP-UHFFFAOYSA-N 2 1 378.923 4.018 20 0 GIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000574797013 823829403 /nfs/dbraw/zinc/82/94/03/823829403.db2.gz QDEFUEMMQPWYQT-UHFFFAOYSA-N 2 1 390.247 4.495 20 0 GIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000574797013 823829406 /nfs/dbraw/zinc/82/94/06/823829406.db2.gz QDEFUEMMQPWYQT-UHFFFAOYSA-N 2 1 390.247 4.495 20 0 GIADMP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113585 823832375 /nfs/dbraw/zinc/83/23/75/823832375.db2.gz TXZJOQITIGZSBF-FXAWDEMLSA-N 2 1 383.502 4.162 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335047 823844430 /nfs/dbraw/zinc/84/44/30/823844430.db2.gz XWLPFEQIRJURHB-IRLDBZIGSA-N 2 1 391.559 4.029 20 0 GIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555101 823853742 /nfs/dbraw/zinc/85/37/42/823853742.db2.gz YTFPJJJMTYEKBN-NLFFAJNJSA-N 2 1 388.559 4.418 20 0 GIADMP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000165981797 823867444 /nfs/dbraw/zinc/86/74/44/823867444.db2.gz VRIRLCPIHQKAQT-UNMCSNQZSA-N 2 1 397.607 4.058 20 0 GIADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181977 823871706 /nfs/dbraw/zinc/87/17/06/823871706.db2.gz MKNXIUZNELWFBO-VOQZNFBZSA-N 2 1 395.522 4.284 20 0 GIADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181977 823871717 /nfs/dbraw/zinc/87/17/17/823871717.db2.gz MKNXIUZNELWFBO-VOQZNFBZSA-N 2 1 395.522 4.284 20 0 GIADMP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166490245 823878394 /nfs/dbraw/zinc/87/83/94/823878394.db2.gz RVEIKQONUATSTI-VWPQPMDRSA-N 2 1 378.495 4.133 20 0 GIADMP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166490245 823878402 /nfs/dbraw/zinc/87/84/02/823878402.db2.gz RVEIKQONUATSTI-VWPQPMDRSA-N 2 1 378.495 4.133 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902117 823898079 /nfs/dbraw/zinc/89/80/79/823898079.db2.gz FXVFFSKSURWXPG-QEEYODRMSA-N 2 1 384.395 4.276 20 0 GIADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673676 823924476 /nfs/dbraw/zinc/92/44/76/823924476.db2.gz KOJKTJMLALRARC-BJKOFHAPSA-N 2 1 386.543 4.315 20 0 GIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673676 823924483 /nfs/dbraw/zinc/92/44/83/823924483.db2.gz KOJKTJMLALRARC-BJKOFHAPSA-N 2 1 386.543 4.315 20 0 GIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414266013 823946263 /nfs/dbraw/zinc/94/62/63/823946263.db2.gz HECKCJHYHHCYPC-UHFFFAOYSA-N 2 1 392.522 4.117 20 0 GIADMP c1csc(C[N@@H+]2CCC[C@@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770789 823946875 /nfs/dbraw/zinc/94/68/75/823946875.db2.gz DAISKHDTAHCFGT-IBGZPJMESA-N 2 1 375.626 4.347 20 0 GIADMP c1csc(CN2CCC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770789 823946880 /nfs/dbraw/zinc/94/68/80/823946880.db2.gz DAISKHDTAHCFGT-IBGZPJMESA-N 2 1 375.626 4.347 20 0 GIADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000065140433 823949823 /nfs/dbraw/zinc/94/98/23/823949823.db2.gz VUEHYKGJTCBKQA-CVDCTZTESA-N 2 1 379.548 4.094 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822584 824003991 /nfs/dbraw/zinc/00/39/91/824003991.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822584 824003994 /nfs/dbraw/zinc/00/39/94/824003994.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822584 824004001 /nfs/dbraw/zinc/00/40/01/824004001.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 2 1 389.543 4.023 20 0 GIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CC[NH+]1Cc1ccccc1 ZINC000575822584 824004010 /nfs/dbraw/zinc/00/40/10/824004010.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 2 1 389.543 4.023 20 0 GIADMP [NH3+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000575867879 824015763 /nfs/dbraw/zinc/01/57/63/824015763.db2.gz FIJTYSUDLIMFRO-UHFFFAOYSA-N 2 1 386.499 4.268 20 0 GIADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805169 824037728 /nfs/dbraw/zinc/03/77/28/824037728.db2.gz AEXVPDDYKJRYOR-AAEUAGOBSA-N 2 1 379.854 4.183 20 0 GIADMP COc1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959170 824038419 /nfs/dbraw/zinc/03/84/19/824038419.db2.gz LUOGUQKLAJUFKU-AUUYWEPGSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959170 824038423 /nfs/dbraw/zinc/03/84/23/824038423.db2.gz LUOGUQKLAJUFKU-AUUYWEPGSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959170 824038429 /nfs/dbraw/zinc/03/84/29/824038429.db2.gz LUOGUQKLAJUFKU-AUUYWEPGSA-N 2 1 381.358 4.229 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000414915173 824049559 /nfs/dbraw/zinc/04/95/59/824049559.db2.gz YUZYILMJMQWFMR-UHFFFAOYSA-N 2 1 383.540 4.228 20 0 GIADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N(C)C)nc(C)[nH+]4)CC3)CC2)cc1 ZINC001164761391 721042215 /nfs/dbraw/zinc/04/22/15/721042215.db2.gz FXWBRNIFLSAYSA-UHFFFAOYSA-N 2 1 393.579 4.042 20 0 GIADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120860713 823078547 /nfs/dbraw/zinc/07/85/47/823078547.db2.gz ZQWCULKJTZZPLX-HXUWFJFHSA-N 2 1 397.563 4.127 20 0 GIADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000120860713 823078551 /nfs/dbraw/zinc/07/85/51/823078551.db2.gz ZQWCULKJTZZPLX-HXUWFJFHSA-N 2 1 397.563 4.127 20 0 GIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154637 823090937 /nfs/dbraw/zinc/09/09/37/823090937.db2.gz JQSMXWCXKPVEFV-CYFREDJKSA-N 2 1 391.559 4.171 20 0 GIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154637 823090944 /nfs/dbraw/zinc/09/09/44/823090944.db2.gz JQSMXWCXKPVEFV-CYFREDJKSA-N 2 1 391.559 4.171 20 0 GIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000056156170 823091209 /nfs/dbraw/zinc/09/12/09/823091209.db2.gz RBWXAPUODYBYAV-AZUAARDMSA-N 2 1 379.548 4.344 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000175995034 823091179 /nfs/dbraw/zinc/09/11/79/823091179.db2.gz XUSUHCBSHXAISX-MRXNPFEDSA-N 2 1 377.492 4.125 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000121189479 823135208 /nfs/dbraw/zinc/13/52/08/823135208.db2.gz ZNLHLNNAYYTKNF-QGZVFWFLSA-N 2 1 385.556 4.153 20 0 GIADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225948 823142590 /nfs/dbraw/zinc/14/25/90/823142590.db2.gz TZNCJEDZZWGSQP-CVDCTZTESA-N 2 1 394.563 4.265 20 0 GIADMP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307929 823163338 /nfs/dbraw/zinc/16/33/38/823163338.db2.gz VCILBDYMBUNPBW-IOVIBIRDSA-N 2 1 376.610 4.099 20 0 GIADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325619 823165514 /nfs/dbraw/zinc/16/55/14/823165514.db2.gz QXJNJFOWDIOAAO-XVAXZDLZSA-N 2 1 380.536 4.191 20 0 GIADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325619 823165518 /nfs/dbraw/zinc/16/55/18/823165518.db2.gz QXJNJFOWDIOAAO-XVAXZDLZSA-N 2 1 380.536 4.191 20 0 GIADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377533 823176768 /nfs/dbraw/zinc/17/67/68/823176768.db2.gz OZWDVZYIYUAFNU-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377533 823176771 /nfs/dbraw/zinc/17/67/71/823176771.db2.gz OZWDVZYIYUAFNU-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377533 823176776 /nfs/dbraw/zinc/17/67/76/823176776.db2.gz OZWDVZYIYUAFNU-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377533 823176777 /nfs/dbraw/zinc/17/67/77/823176777.db2.gz OZWDVZYIYUAFNU-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCCS2 ZINC000188115100 823188556 /nfs/dbraw/zinc/18/85/56/823188556.db2.gz NQRSTQVLLKQAEN-HXUWFJFHSA-N 2 1 398.576 4.288 20 0 GIADMP Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000571464671 823186513 /nfs/dbraw/zinc/18/65/13/823186513.db2.gz CKOGRIMQXRIHIO-FQEVSTJZSA-N 2 1 399.966 4.477 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000121502643 823195977 /nfs/dbraw/zinc/19/59/77/823195977.db2.gz YSUQDMXANNDYLN-GUYCJALGSA-N 2 1 378.314 4.094 20 0 GIADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccc(Br)cc3)CC2)[nH+]c1 ZINC000188220779 823205431 /nfs/dbraw/zinc/20/54/31/823205431.db2.gz KISCPVKESXNEMD-MRXNPFEDSA-N 2 1 388.353 4.342 20 0 GIADMP COCc1cc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598705 823227583 /nfs/dbraw/zinc/22/75/83/823227583.db2.gz PZMYDTOAIUWBNN-DEOSSOPVSA-N 2 1 397.563 4.478 20 0 GIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)on1 ZINC000571754868 823230333 /nfs/dbraw/zinc/23/03/33/823230333.db2.gz ZJVQCNVKFYUDOB-KRWDZBQOSA-N 2 1 391.515 4.467 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000572364732 823328146 /nfs/dbraw/zinc/32/81/46/823328146.db2.gz QMOIXXWLSMMBES-GNXKAVGDSA-N 2 1 377.532 4.042 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000572364732 823328153 /nfs/dbraw/zinc/32/81/53/823328153.db2.gz QMOIXXWLSMMBES-GNXKAVGDSA-N 2 1 377.532 4.042 20 0 GIADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000017314079 818508406 /nfs/dbraw/zinc/50/84/06/818508406.db2.gz UCCIYMKNYMKQLN-UHFFFAOYSA-N 2 1 388.559 4.399 20 0 GIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189040695 823346690 /nfs/dbraw/zinc/34/66/90/823346690.db2.gz PPZVTAGBEIGOLP-UHFFFAOYSA-N 2 1 380.511 4.201 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000122395084 823348646 /nfs/dbraw/zinc/34/86/46/823348646.db2.gz DFQSBFYJLNOFBQ-AWEZNQCLSA-N 2 1 382.426 4.218 20 0 GIADMP O=C([C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)N1CCCCC1 ZINC000021702861 818728179 /nfs/dbraw/zinc/72/81/79/818728179.db2.gz IKJBSSIQAXQMEI-XMMPIXPASA-N 2 1 391.559 4.126 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(F)cc(F)c3)CC2)c1C ZINC000189309270 823391856 /nfs/dbraw/zinc/39/18/56/823391856.db2.gz MBZLYTMFRAZAEA-UHFFFAOYSA-N 2 1 389.490 4.082 20 0 GIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(F)cc(F)c3)CC2)c1C ZINC000189309270 823391862 /nfs/dbraw/zinc/39/18/62/823391862.db2.gz MBZLYTMFRAZAEA-UHFFFAOYSA-N 2 1 389.490 4.082 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398223 823408197 /nfs/dbraw/zinc/40/81/97/823408197.db2.gz VRFGHJCTRYUMRO-IBGZPJMESA-N 2 1 398.856 4.215 20 0 GIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000123104910 823462979 /nfs/dbraw/zinc/46/29/79/823462979.db2.gz JWYDKMSDBJUKGB-HNNXBMFYSA-N 2 1 385.943 4.132 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC000410356300 823472139 /nfs/dbraw/zinc/47/21/39/823472139.db2.gz BHYISUYSCPTPFU-NJDAHSKKSA-N 2 1 375.516 4.179 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000177509262 823479323 /nfs/dbraw/zinc/47/93/23/823479323.db2.gz RSDDTQFIFONKDB-RTBURBONSA-N 2 1 383.536 4.053 20 0 GIADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177530015 823483641 /nfs/dbraw/zinc/48/36/41/823483641.db2.gz YJJPFKZRSDYGKF-LEWJYISDSA-N 2 1 395.551 4.145 20 0 GIADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177530015 823483646 /nfs/dbraw/zinc/48/36/46/823483646.db2.gz YJJPFKZRSDYGKF-LEWJYISDSA-N 2 1 395.551 4.145 20 0 GIADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377482 823521580 /nfs/dbraw/zinc/52/15/80/823521580.db2.gz IVVBUEJEHZUCSL-LJQANCHMSA-N 2 1 397.538 4.305 20 0 GIADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182236993 822160737 /nfs/dbraw/zinc/16/07/37/822160737.db2.gz GGWKYZJSUHTFRM-OXJNMPFZSA-N 2 1 388.939 4.156 20 0 GIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258330 822173014 /nfs/dbraw/zinc/17/30/14/822173014.db2.gz NUEUEVOYZNSDSB-UIOOFZCWSA-N 2 1 386.539 4.441 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259286 822173122 /nfs/dbraw/zinc/17/31/22/822173122.db2.gz SBKBWHMTQCJFKJ-JXFKEZNVSA-N 2 1 391.342 4.337 20 0 GIADMP Cc1cc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260771 822174607 /nfs/dbraw/zinc/17/46/07/822174607.db2.gz SDCXJIGWOQACSI-GCJKJVERSA-N 2 1 378.516 4.467 20 0 GIADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977690 822266556 /nfs/dbraw/zinc/26/65/56/822266556.db2.gz ZZOUCHVTBKKKLA-QGZVFWFLSA-N 2 1 386.536 4.403 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)cs1 ZINC000178092418 822315439 /nfs/dbraw/zinc/31/54/39/822315439.db2.gz SROFQDIEQJXHFC-MRXNPFEDSA-N 2 1 385.577 4.203 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617078 822396435 /nfs/dbraw/zinc/39/64/35/822396435.db2.gz LUIPDTGTBVQTRP-MOPGFXCFSA-N 2 1 375.516 4.306 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617078 822396439 /nfs/dbraw/zinc/39/64/39/822396439.db2.gz LUIPDTGTBVQTRP-MOPGFXCFSA-N 2 1 375.516 4.306 20 0 GIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000178694820 822403401 /nfs/dbraw/zinc/40/34/01/822403401.db2.gz MMULAHFXPCSUTG-AWEZNQCLSA-N 2 1 389.341 4.176 20 0 GIADMP COCCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000178699681 822403830 /nfs/dbraw/zinc/40/38/30/822403830.db2.gz ODDURQIXGAQDLJ-KXBFYZLASA-N 2 1 394.357 4.348 20 0 GIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183128987 822428158 /nfs/dbraw/zinc/42/81/58/822428158.db2.gz RXMHNGBTBABSCG-OEMFJLHTSA-N 2 1 377.532 4.035 20 0 GIADMP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183137051 822429313 /nfs/dbraw/zinc/42/93/13/822429313.db2.gz LKDNXHJQGJJEGL-QHAWAJNXSA-N 2 1 382.552 4.016 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000183138872 822429614 /nfs/dbraw/zinc/42/96/14/822429614.db2.gz YXECMROFVGEKGO-XDHUDOTRSA-N 2 1 388.515 4.099 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000183144276 822430523 /nfs/dbraw/zinc/43/05/23/822430523.db2.gz UHXUPYWSTFCYRF-ZDUSSCGKSA-N 2 1 386.858 4.263 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151142 822431898 /nfs/dbraw/zinc/43/18/98/822431898.db2.gz PTJUADOHUVJSKY-CVEARBPZSA-N 2 1 380.467 4.306 20 0 GIADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183368667 822464552 /nfs/dbraw/zinc/46/45/52/822464552.db2.gz ICJKTADLDRVFBT-HSZRJFAPSA-N 2 1 379.479 4.040 20 0 GIADMP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000454499491 822485532 /nfs/dbraw/zinc/48/55/32/822485532.db2.gz FNVGBYMBFQWINE-GOSISDBHSA-N 2 1 383.540 4.003 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180015392 822597107 /nfs/dbraw/zinc/59/71/07/822597107.db2.gz LFTOHGUIHFBIES-FQEVSTJZSA-N 2 1 384.395 4.452 20 0 GIADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000180113692 822618088 /nfs/dbraw/zinc/61/80/88/822618088.db2.gz YNYDIADQZSJJTL-UHFFFAOYSA-N 2 1 399.336 4.186 20 0 GIADMP CCCCOc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000047968198 822622943 /nfs/dbraw/zinc/62/29/43/822622943.db2.gz MCTBKFHKEGZXIP-UHFFFAOYSA-N 2 1 398.551 4.223 20 0 GIADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000047977259 822623602 /nfs/dbraw/zinc/62/36/02/822623602.db2.gz OJHYAZRJQGXYHC-UHFFFAOYSA-N 2 1 396.457 4.309 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180416115 822678032 /nfs/dbraw/zinc/67/80/32/822678032.db2.gz QPVQKURNJRDEKT-KRWDZBQOSA-N 2 1 392.609 4.316 20 0 GIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000174452665 822791701 /nfs/dbraw/zinc/79/17/01/822791701.db2.gz BZKDRVKJFQADDI-UHFFFAOYSA-N 2 1 386.499 4.387 20 0 GIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000174452629 822791825 /nfs/dbraw/zinc/79/18/25/822791825.db2.gz BZTKTTXXOYCRND-UHFFFAOYSA-N 2 1 390.487 4.493 20 0 GIADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174526617 822801277 /nfs/dbraw/zinc/80/12/77/822801277.db2.gz NAQNDFWNDSGIKZ-OAQYLSRUSA-N 2 1 386.584 4.399 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706985 822812367 /nfs/dbraw/zinc/81/23/67/822812367.db2.gz JKHXHFWGBKRZJN-QLFBSQMISA-N 2 1 381.923 4.049 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706985 822812369 /nfs/dbraw/zinc/81/23/69/822812369.db2.gz JKHXHFWGBKRZJN-QLFBSQMISA-N 2 1 381.923 4.049 20 0 GIADMP COC(=O)c1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000569150285 822884210 /nfs/dbraw/zinc/88/42/10/822884210.db2.gz YUAPSHYIZPNNAT-FAXKSRBJSA-N 2 1 384.545 4.381 20 0 GIADMP COC(=O)c1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000569150285 822884216 /nfs/dbraw/zinc/88/42/16/822884216.db2.gz YUAPSHYIZPNNAT-FAXKSRBJSA-N 2 1 384.545 4.381 20 0 GIADMP CN(CC[N@@H+](C)Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](C)CC1 ZINC000569531945 822935376 /nfs/dbraw/zinc/93/53/76/822935376.db2.gz QDCBHEOONYZHAB-UHFFFAOYSA-N 2 1 375.944 4.058 20 0 GIADMP COc1cncc(/C=C/CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689992 822955705 /nfs/dbraw/zinc/95/57/05/822955705.db2.gz CZHXFBMIZQSDHJ-GULCCPCXSA-N 2 1 379.548 4.384 20 0 GIADMP COc1cncc(/C=C/CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000569689992 822955707 /nfs/dbraw/zinc/95/57/07/822955707.db2.gz CZHXFBMIZQSDHJ-GULCCPCXSA-N 2 1 379.548 4.384 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000570026889 822998890 /nfs/dbraw/zinc/99/88/90/822998890.db2.gz JGFDYSGRSPTUED-UHFFFAOYSA-N 2 1 386.858 4.092 20 0 GIADMP CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000570161592 823011315 /nfs/dbraw/zinc/01/13/15/823011315.db2.gz RSEVWNJIHXJEAM-IBGZPJMESA-N 2 1 391.437 4.330 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123855112 823546324 /nfs/dbraw/zinc/54/63/24/823546324.db2.gz NZRUBRNBMJVPAQ-UTKZUKDTSA-N 2 1 380.536 4.013 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908993 823550857 /nfs/dbraw/zinc/55/08/57/823550857.db2.gz WSGZYUYMFOWGDW-QGZVFWFLSA-N 2 1 380.536 4.273 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123922802 823551950 /nfs/dbraw/zinc/55/19/50/823551950.db2.gz NHHITJKVEVWYSW-IBGZPJMESA-N 2 1 392.547 4.302 20 0 GIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951181 823554478 /nfs/dbraw/zinc/55/44/78/823554478.db2.gz PGLMUMQFWAABOL-INIZCTEOSA-N 2 1 381.499 4.017 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951181 823554479 /nfs/dbraw/zinc/55/44/79/823554479.db2.gz PGLMUMQFWAABOL-INIZCTEOSA-N 2 1 381.499 4.017 20 0 GIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563534 /nfs/dbraw/zinc/56/35/34/823563534.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563535 /nfs/dbraw/zinc/56/35/35/823563535.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563536 /nfs/dbraw/zinc/56/35/36/823563536.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 2 1 393.575 4.087 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563561 /nfs/dbraw/zinc/56/35/61/823563561.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563562 /nfs/dbraw/zinc/56/35/62/823563562.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563563 /nfs/dbraw/zinc/56/35/63/823563563.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 2 1 393.575 4.087 20 0 GIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccccc1Br ZINC000061069957 823576724 /nfs/dbraw/zinc/57/67/24/823576724.db2.gz OYECVRBHESPEAL-UHFFFAOYSA-N 2 1 391.353 4.460 20 0 GIADMP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514755 823583301 /nfs/dbraw/zinc/58/33/01/823583301.db2.gz GRIDNLJFPSAIIK-NVXWUHKLSA-N 2 1 388.943 4.175 20 0 GIADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(Br)cn1 ZINC000411534289 823585802 /nfs/dbraw/zinc/58/58/02/823585802.db2.gz PCESJOIUNXPFKI-HOTGVXAUSA-N 2 1 388.353 4.090 20 0 GIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553278 823587830 /nfs/dbraw/zinc/58/78/30/823587830.db2.gz QVUPQYZEWFBSEU-XLIONFOSSA-N 2 1 385.939 4.169 20 0 GIADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000124353884 823589661 /nfs/dbraw/zinc/58/96/61/823589661.db2.gz FAYAENGKJMKQDD-HXUWFJFHSA-N 2 1 398.620 4.051 20 0 GIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697565 823597802 /nfs/dbraw/zinc/59/78/02/823597802.db2.gz WDXOTHKIMZSGGA-NRFANRHFSA-N 2 1 390.531 4.169 20 0 GIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697565 823597806 /nfs/dbraw/zinc/59/78/06/823597806.db2.gz WDXOTHKIMZSGGA-NRFANRHFSA-N 2 1 390.531 4.169 20 0 GIADMP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000062426757 823635035 /nfs/dbraw/zinc/63/50/35/823635035.db2.gz VFRJRZRPCJWAAX-JOCHJYFZSA-N 2 1 382.548 4.486 20 0 GIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000062427050 823635242 /nfs/dbraw/zinc/63/52/42/823635242.db2.gz ORJBCQKKFFKVSF-IBGZPJMESA-N 2 1 392.522 4.498 20 0 GIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146727 823653621 /nfs/dbraw/zinc/65/36/21/823653621.db2.gz HBAPRTKXIGCIDW-CEXWTWQISA-N 2 1 398.595 4.407 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125196337 823658513 /nfs/dbraw/zinc/65/85/13/823658513.db2.gz NPRKQSRCJLRDTB-RTBURBONSA-N 2 1 375.520 4.144 20 0 GIADMP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000191288293 823667824 /nfs/dbraw/zinc/66/78/24/823667824.db2.gz TVKBUUMCEJCRLX-UHFFFAOYSA-N 2 1 385.556 4.250 20 0 GIADMP COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)ccc1OC(F)F ZINC000163471681 823713151 /nfs/dbraw/zinc/71/31/51/823713151.db2.gz XHFLVWAMKHUHDU-HNNXBMFYSA-N 2 1 391.462 4.320 20 0 GIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000574393425 823718625 /nfs/dbraw/zinc/71/86/25/823718625.db2.gz WLTZNISPWKRLKH-WBDAEOGXSA-N 2 1 377.532 4.320 20 0 GIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000574393425 823718632 /nfs/dbraw/zinc/71/86/32/823718632.db2.gz WLTZNISPWKRLKH-WBDAEOGXSA-N 2 1 377.532 4.320 20 0 GIADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163954945 823765442 /nfs/dbraw/zinc/76/54/42/823765442.db2.gz LTVJYUYIOMHTFP-KBMIEXCESA-N 2 1 394.559 4.199 20 0 GIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969969 823766695 /nfs/dbraw/zinc/76/66/95/823766695.db2.gz AYPPOXLGYPDGOL-GOSISDBHSA-N 2 1 386.511 4.166 20 0 GIADMP CCC[NH+]1CCC(N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000461968136 823775787 /nfs/dbraw/zinc/77/57/87/823775787.db2.gz UTWOJMRKRLXXDU-UHFFFAOYSA-N 2 1 393.575 4.022 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000126224748 823815994 /nfs/dbraw/zinc/81/59/94/823815994.db2.gz ZMJGGJCDJSKZJI-JXQFQVJHSA-N 2 1 389.547 4.137 20 0 GIADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118210 823834348 /nfs/dbraw/zinc/83/43/48/823834348.db2.gz DUYRHDZHMFYCOO-UXHICEINSA-N 2 1 384.486 4.432 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335162 823844306 /nfs/dbraw/zinc/84/43/06/823844306.db2.gz XWLPFEQIRJURHB-RBBKRZOGSA-N 2 1 391.559 4.029 20 0 GIADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413845588 823850293 /nfs/dbraw/zinc/85/02/93/823850293.db2.gz PCQAKEFEVXEZMD-XHSDSOJGSA-N 2 1 393.959 4.013 20 0 GIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000126394932 823856165 /nfs/dbraw/zinc/85/61/65/823856165.db2.gz JGVWIEYTSMHSMA-CABCVRRESA-N 2 1 377.517 4.467 20 0 GIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324118 823875398 /nfs/dbraw/zinc/87/53/98/823875398.db2.gz RQOGNSFAOLBTKN-VAMGGRTRSA-N 2 1 383.502 4.305 20 0 GIADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166519897 823879108 /nfs/dbraw/zinc/87/91/08/823879108.db2.gz KRHMFGWQZKMWMB-SCFUHWHPSA-N 2 1 381.383 4.448 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581274 823879472 /nfs/dbraw/zinc/87/94/72/823879472.db2.gz QYJUWFQYJPQTID-JTHBVZDNSA-N 2 1 397.563 4.261 20 0 GIADMP Cc1csc(N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC000166670188 823880772 /nfs/dbraw/zinc/88/07/72/823880772.db2.gz IEGPUDCSOGDIST-MRXNPFEDSA-N 2 1 381.549 4.265 20 0 GIADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007651 823885641 /nfs/dbraw/zinc/88/56/41/823885641.db2.gz JILZHXVVYKZISQ-LAUBAEHRSA-N 2 1 399.604 4.339 20 0 GIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027287 823892413 /nfs/dbraw/zinc/89/24/13/823892413.db2.gz YNDYDZWBAGUASS-INIZCTEOSA-N 2 1 388.353 4.161 20 0 GIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902009 823898382 /nfs/dbraw/zinc/89/83/82/823898382.db2.gz FXVFFSKSURWXPG-STXHMFSFSA-N 2 1 384.395 4.276 20 0 GIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCN(c4cccs4)CC3)CC2)cc1 ZINC000168431568 823903190 /nfs/dbraw/zinc/90/31/90/823903190.db2.gz JEFYLJCSUQZNAH-UHFFFAOYSA-N 2 1 387.568 4.153 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000575140212 823921672 /nfs/dbraw/zinc/92/16/72/823921672.db2.gz KKPJUDFUMRUNQM-SFHVURJKSA-N 2 1 388.515 4.268 20 0 GIADMP COCCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000414197375 823926394 /nfs/dbraw/zinc/92/63/94/823926394.db2.gz WIHLDEZCQYYGER-QFBILLFUSA-N 2 1 383.374 4.238 20 0 GIADMP COCCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000414197374 823926677 /nfs/dbraw/zinc/92/66/77/823926677.db2.gz WIHLDEZCQYYGER-LPHOPBHVSA-N 2 1 383.374 4.238 20 0 GIADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414200361 823927724 /nfs/dbraw/zinc/92/77/24/823927724.db2.gz XUFYSKFDHNHZPQ-CMKODMSKSA-N 2 1 378.532 4.156 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830398 823961490 /nfs/dbraw/zinc/96/14/90/823961490.db2.gz KVHUEBYFLGQLOI-MSOLQXFVSA-N 2 1 399.560 4.268 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830398 823961494 /nfs/dbraw/zinc/96/14/94/823961494.db2.gz KVHUEBYFLGQLOI-MSOLQXFVSA-N 2 1 399.560 4.268 20 0 GIADMP CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000575401185 823967623 /nfs/dbraw/zinc/96/76/23/823967623.db2.gz MOMNWYFXYQTLOI-HSZRJFAPSA-N 2 1 382.573 4.408 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1OC ZINC000126857953 823968097 /nfs/dbraw/zinc/96/80/97/823968097.db2.gz ONTNDNIXOXVWQT-ROUUACIJSA-N 2 1 388.577 4.466 20 0 GIADMP COCc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1OC ZINC000126857953 823968103 /nfs/dbraw/zinc/96/81/03/823968103.db2.gz ONTNDNIXOXVWQT-ROUUACIJSA-N 2 1 388.577 4.466 20 0 GIADMP CCc1ncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414436277 823985368 /nfs/dbraw/zinc/98/53/68/823985368.db2.gz BZNBEHPFJWGRPR-HUDNXNEVSA-N 2 1 384.955 4.396 20 0 GIADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)c1ccc(Cl)cc1Cl ZINC000414797509 824037497 /nfs/dbraw/zinc/03/74/97/824037497.db2.gz YVAUTUAQMYKPKW-UHFFFAOYSA-N 2 1 378.303 4.087 20 0 GIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427572 718946713 /nfs/dbraw/zinc/94/67/13/718946713.db2.gz FQFSTEJCZVVWOT-XPWALMASSA-N 2 1 376.548 4.094 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735077 720450422 /nfs/dbraw/zinc/45/04/22/720450422.db2.gz VSVMASNQPBHMKA-DHIUTWEWSA-N 2 1 399.542 4.083 20 0 GIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735077 720450431 /nfs/dbraw/zinc/45/04/31/720450431.db2.gz VSVMASNQPBHMKA-DHIUTWEWSA-N 2 1 399.542 4.083 20 0 GIADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164845446 720695521 /nfs/dbraw/zinc/69/55/21/720695521.db2.gz ZYLCKMSRMBLAGE-QFIPXVFZSA-N 2 1 377.532 4.219 20 0 GIADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164845446 720695534 /nfs/dbraw/zinc/69/55/34/720695534.db2.gz ZYLCKMSRMBLAGE-QFIPXVFZSA-N 2 1 377.532 4.219 20 0 GIADMP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165021592 721815430 /nfs/dbraw/zinc/81/54/30/721815430.db2.gz FBCCNKICEGEXNB-WEYGHZABSA-N 2 1 375.520 4.003 20 0 GIADMP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571136776 823139301 /nfs/dbraw/zinc/13/93/01/823139301.db2.gz DOTBUAPCPMBSEC-YMSRPXOMSA-N 2 1 388.555 4.243 20 0 GIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137468 823139449 /nfs/dbraw/zinc/13/94/49/823139449.db2.gz QKIIVIZGCRMCGN-PBEJRMEISA-N 2 1 397.588 4.174 20 0 GIADMP COc1cccc(C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C2CC2)c1 ZINC000121340600 823166083 /nfs/dbraw/zinc/16/60/83/823166083.db2.gz DZKPILHZCXKCBK-QHCPKHFHSA-N 2 1 397.563 4.123 20 0 GIADMP Cc1cc(N2CCC([NH2+]Cc3cnc(-c4ccccc4F)s3)CC2)nc(C)[nH+]1 ZINC000571392166 823176818 /nfs/dbraw/zinc/17/68/18/823176818.db2.gz ZGJDLLOGYCCNDK-UHFFFAOYSA-N 2 1 397.523 4.115 20 0 GIADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000571427861 823181202 /nfs/dbraw/zinc/18/12/02/823181202.db2.gz PYXWPAQAQUQOID-PZUNEJSGSA-N 2 1 394.607 4.250 20 0 GIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405280 823185883 /nfs/dbraw/zinc/18/58/83/823185883.db2.gz FEEUIMPAMMFZML-SFTDATJTSA-N 2 1 393.575 4.227 20 0 GIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000459449615 823194644 /nfs/dbraw/zinc/19/46/44/823194644.db2.gz SYPMSPIREQUVPY-ZEQRLZLVSA-N 2 1 394.559 4.138 20 0 GIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121509018 823197097 /nfs/dbraw/zinc/19/70/97/823197097.db2.gz HDDILVHWUXPSMI-NWDGAFQWSA-N 2 1 389.393 4.381 20 0 GIADMP C[C@H](CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCCC1 ZINC000459490562 823203353 /nfs/dbraw/zinc/20/33/53/823203353.db2.gz WPZXLIWFFDOFKR-LJQANCHMSA-N 2 1 381.568 4.414 20 0 GIADMP Clc1ccc(CC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581293 823224931 /nfs/dbraw/zinc/22/49/31/823224931.db2.gz BUCSVKNVTLHKJH-JOCHJYFZSA-N 2 1 398.978 4.401 20 0 GIADMP COCc1cc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598709 823227480 /nfs/dbraw/zinc/22/74/80/823227480.db2.gz PZMYDTOAIUWBNN-XMMPIXPASA-N 2 1 397.563 4.478 20 0 GIADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000571871566 823248106 /nfs/dbraw/zinc/24/81/06/823248106.db2.gz AKYWVXMDGUCBBP-UHFFFAOYSA-N 2 1 390.641 4.183 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813511 823256622 /nfs/dbraw/zinc/25/66/22/823256622.db2.gz YCCATQOXPALKRF-IBGZPJMESA-N 2 1 391.559 4.393 20 0 GIADMP COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764554 823299872 /nfs/dbraw/zinc/29/98/72/823299872.db2.gz CHJOZSJZABRXGU-QZTJIDSGSA-N 2 1 383.536 4.497 20 0 GIADMP Cc1ccc(Cn2cc(C[NH2+]C3CC[NH+](C)CC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000017314084 818508587 /nfs/dbraw/zinc/50/85/87/818508587.db2.gz IIZRZFLPFHDYGJ-UHFFFAOYSA-N 2 1 388.559 4.399 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccccc2F)no1 ZINC000189148924 823365390 /nfs/dbraw/zinc/36/53/90/823365390.db2.gz XDHZDRILRGCIHS-UHFFFAOYSA-N 2 1 395.482 4.009 20 0 GIADMP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000410012589 823371164 /nfs/dbraw/zinc/37/11/64/823371164.db2.gz CXEWWXNBZDFIFA-IBGZPJMESA-N 2 1 386.584 4.305 20 0 GIADMP C[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000177220294 823402833 /nfs/dbraw/zinc/40/28/33/823402833.db2.gz ZDTRLRSEDDBONT-FQEVSTJZSA-N 2 1 389.996 4.185 20 0 GIADMP CC(C)c1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccccn21 ZINC000572846961 823408451 /nfs/dbraw/zinc/40/84/51/823408451.db2.gz NGFKVRGNKXBGIM-UHFFFAOYSA-N 2 1 380.536 4.078 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000025702856 820016057 /nfs/dbraw/zinc/01/60/57/820016057.db2.gz NCCRSPRNEFXNNZ-HNNXBMFYSA-N 2 1 398.576 4.294 20 0 GIADMP C[NH+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000026303129 820080474 /nfs/dbraw/zinc/08/04/74/820080474.db2.gz NBRJIWZZGOTHQW-UHFFFAOYSA-N 2 1 380.319 4.287 20 0 GIADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026485376 820103675 /nfs/dbraw/zinc/10/36/75/820103675.db2.gz ZVEVOJZNGZWMSI-GHTZIAJQSA-N 2 1 397.588 4.054 20 0 GIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484247 823473510 /nfs/dbraw/zinc/47/35/10/823473510.db2.gz LMFBUTSKFRMANC-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484247 823473515 /nfs/dbraw/zinc/47/35/15/823473515.db2.gz LMFBUTSKFRMANC-CALCHBBNSA-N 2 1 389.565 4.114 20 0 GIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@@H](C)O1 ZINC000177505436 823479077 /nfs/dbraw/zinc/47/90/77/823479077.db2.gz OBFSITVWJHMCRF-IAGOWNOFSA-N 2 1 389.565 4.114 20 0 GIADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000123459749 823511417 /nfs/dbraw/zinc/51/14/17/823511417.db2.gz MNTDCIWSAYQSDP-UHFFFAOYSA-N 2 1 396.457 4.309 20 0 GIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416716 821814378 /nfs/dbraw/zinc/81/43/78/821814378.db2.gz LPZZSNPZQWPJKM-BKTGTZMESA-N 2 1 399.348 4.007 20 0 GIADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181659934 821928114 /nfs/dbraw/zinc/92/81/14/821928114.db2.gz NFWRIPXELKGYPX-FXAWDEMLSA-N 2 1 397.544 4.084 20 0 GIADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000182075981 822083426 /nfs/dbraw/zinc/08/34/26/822083426.db2.gz VWPYWUDYUNXUCN-KCGBSUFVSA-N 2 1 377.532 4.491 20 0 GIADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182243300 822164201 /nfs/dbraw/zinc/16/42/01/822164201.db2.gz PIKBRTBSZCLPOX-OXJNMPFZSA-N 2 1 387.593 4.382 20 0 GIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248664 822167279 /nfs/dbraw/zinc/16/72/79/822167279.db2.gz MQDYODXHAQGREY-DNVCBOLYSA-N 2 1 376.903 4.287 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268438 822179975 /nfs/dbraw/zinc/17/99/75/822179975.db2.gz TVDKXXPGKKXLKN-YWZLYKJASA-N 2 1 378.438 4.123 20 0 GIADMP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CCO2)c1 ZINC000453407904 822358626 /nfs/dbraw/zinc/35/86/26/822358626.db2.gz DXLINUBPSODCNR-MLBCHFTJSA-N 2 1 382.573 4.468 20 0 GIADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253825 822359086 /nfs/dbraw/zinc/35/90/86/822359086.db2.gz ADAVJAVFWXIOTE-SFHVURJKSA-N 2 1 379.342 4.127 20 0 GIADMP C[N@@H+](CCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000453601747 822391244 /nfs/dbraw/zinc/39/12/44/822391244.db2.gz VNBJGUXZYVSCIT-UHFFFAOYSA-N 2 1 377.273 4.015 20 0 GIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802120 822411817 /nfs/dbraw/zinc/41/18/17/822411817.db2.gz BJBVTBCELWMSMQ-UWVAXJGDSA-N 2 1 389.515 4.265 20 0 GIADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1C[NH+]1CCCCC1 ZINC000183020503 822412360 /nfs/dbraw/zinc/41/23/60/822412360.db2.gz XBNQYNYVZOTZON-IBGZPJMESA-N 3 1 384.568 4.317 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000183138895 822429538 /nfs/dbraw/zinc/42/95/38/822429538.db2.gz YXECMROFVGEKGO-MZNJEOGPSA-N 2 1 388.515 4.099 20 0 GIADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156871 822432797 /nfs/dbraw/zinc/43/27/97/822432797.db2.gz LQZNKXJMEPLULT-IRXDYDNUSA-N 2 1 392.503 4.257 20 0 GIADMP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185277 822437477 /nfs/dbraw/zinc/43/74/77/822437477.db2.gz HKWCPJNUYKKQCL-GVDBMIGSSA-N 2 1 376.541 4.016 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636713 /nfs/dbraw/zinc/63/67/13/822636713.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 2 1 376.342 4.159 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636716 /nfs/dbraw/zinc/63/67/16/822636716.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 2 1 376.342 4.159 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000184743075 822685003 /nfs/dbraw/zinc/68/50/03/822685003.db2.gz QXCOVFIMPHUGOI-NHCUHLMSSA-N 2 1 393.575 4.297 20 0 GIADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000052209703 822793135 /nfs/dbraw/zinc/79/31/35/822793135.db2.gz PDSDRWUHGCEQSC-UHFFFAOYSA-N 2 1 376.570 4.175 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697941 822811218 /nfs/dbraw/zinc/81/12/18/822811218.db2.gz HTPHQLYVOGISER-LQWHRVPQSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697941 822811220 /nfs/dbraw/zinc/81/12/20/822811220.db2.gz HTPHQLYVOGISER-LQWHRVPQSA-N 2 1 379.548 4.409 20 0 GIADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711753 822812921 /nfs/dbraw/zinc/81/29/21/822812921.db2.gz FNBLVYYLOIQXLA-YQVWRLOYSA-N 2 1 391.987 4.102 20 0 GIADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711753 822812924 /nfs/dbraw/zinc/81/29/24/822812924.db2.gz FNBLVYYLOIQXLA-YQVWRLOYSA-N 2 1 391.987 4.102 20 0 GIADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000174931958 822857588 /nfs/dbraw/zinc/85/75/88/822857588.db2.gz UKLGSMCMJVSBLF-LJQANCHMSA-N 2 1 399.922 4.181 20 0 GIADMP CCn1c2ccccc2c2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)ccc21 ZINC000569123724 822881524 /nfs/dbraw/zinc/88/15/24/822881524.db2.gz WCLYASYYCUOXMC-IBGZPJMESA-N 2 1 377.532 4.002 20 0 GIADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569175160 822888808 /nfs/dbraw/zinc/88/88/08/822888808.db2.gz DKFYRLAFSYRFIY-JOCHJYFZSA-N 2 1 394.563 4.172 20 0 GIADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186503286 822905870 /nfs/dbraw/zinc/90/58/70/822905870.db2.gz VFQUSOPRFQCPAS-HSALFYBXSA-N 2 1 395.385 4.003 20 0 GIADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000055043115 822933721 /nfs/dbraw/zinc/93/37/21/822933721.db2.gz VJKWGWMXRNVEME-UHFFFAOYSA-N 2 1 378.545 4.317 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961698 822987760 /nfs/dbraw/zinc/98/77/60/822987760.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961698 822987763 /nfs/dbraw/zinc/98/77/63/822987763.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961698 822987766 /nfs/dbraw/zinc/98/77/66/822987766.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 2 1 391.559 4.081 20 0 GIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC[NH+]1Cc1ccccc1 ZINC000186961698 822987771 /nfs/dbraw/zinc/98/77/71/822987771.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 2 1 391.559 4.081 20 0 GIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000123956868 823555292 /nfs/dbraw/zinc/55/52/92/823555292.db2.gz WSSJDRSUVZPVFA-MRXNPFEDSA-N 2 1 383.927 4.223 20 0 GIADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411310197 823564026 /nfs/dbraw/zinc/56/40/26/823564026.db2.gz UEIODPSYSXTGGD-QHCPKHFHSA-N 2 1 399.604 4.150 20 0 GIADMP C[C@@H]1C[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411423723 823572584 /nfs/dbraw/zinc/57/25/84/823572584.db2.gz YLQZAIMASBEDDV-FOVJLYNBSA-N 2 1 397.994 4.387 20 0 GIADMP C[C@@H]1C[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411423723 823572585 /nfs/dbraw/zinc/57/25/85/823572585.db2.gz YLQZAIMASBEDDV-FOVJLYNBSA-N 2 1 397.994 4.387 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1 ZINC000411478790 823579591 /nfs/dbraw/zinc/57/95/91/823579591.db2.gz SRTLOJYNQJEEOH-INIZCTEOSA-N 2 1 380.467 4.308 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1 ZINC000411478794 823579636 /nfs/dbraw/zinc/57/96/36/823579636.db2.gz SRTLOJYNQJEEOH-MRXNPFEDSA-N 2 1 380.467 4.308 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517682 823583637 /nfs/dbraw/zinc/58/36/37/823583637.db2.gz NHTFBZJIKQFXOP-UYAOXDASSA-N 2 1 379.548 4.411 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116307 823627419 /nfs/dbraw/zinc/62/74/19/823627419.db2.gz KHSYJXWFDXJKCF-FYYLOGMGSA-N 2 1 397.607 4.399 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191224054 823660782 /nfs/dbraw/zinc/66/07/82/823660782.db2.gz YFBGKSFRLNMZGD-OTWHNJEPSA-N 2 1 384.568 4.232 20 0 GIADMP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000191462104 823687960 /nfs/dbraw/zinc/68/79/60/823687960.db2.gz ODZGVDWVIMBGFN-RUZDIDTESA-N 2 1 377.576 4.050 20 0 GIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789631 823711223 /nfs/dbraw/zinc/71/12/23/823711223.db2.gz XYZWTBPROJUIFC-HOTGVXAUSA-N 2 1 385.474 4.133 20 0 GIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969881 823766843 /nfs/dbraw/zinc/76/68/43/823766843.db2.gz AYPPOXLGYPDGOL-SFHVURJKSA-N 2 1 386.511 4.166 20 0 GIADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000164028615 823771811 /nfs/dbraw/zinc/77/18/11/823771811.db2.gz VNXVURMPJYNVGL-GOSISDBHSA-N 2 1 383.536 4.194 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012746 823830419 /nfs/dbraw/zinc/83/04/19/823830419.db2.gz ANBFDSPWNYASPR-CDXJDZJCSA-N 2 1 381.549 4.063 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012746 823830430 /nfs/dbraw/zinc/83/04/30/823830430.db2.gz ANBFDSPWNYASPR-CDXJDZJCSA-N 2 1 381.549 4.063 20 0 GIADMP C[NH+](C)C1(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)CCOCC1 ZINC000462117926 823834200 /nfs/dbraw/zinc/83/42/00/823834200.db2.gz MUTABQWEPCIXBA-UHFFFAOYSA-N 2 1 380.576 4.321 20 0 GIADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000166066141 823869130 /nfs/dbraw/zinc/86/91/30/823869130.db2.gz VUOOWZDPHJEZHP-KRWDZBQOSA-N 2 1 382.552 4.259 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181630 823871767 /nfs/dbraw/zinc/87/17/67/823871767.db2.gz MKNXIUZNELWFBO-MTNREXPMSA-N 2 1 395.522 4.284 20 0 GIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181630 823871775 /nfs/dbraw/zinc/87/17/75/823871775.db2.gz MKNXIUZNELWFBO-MTNREXPMSA-N 2 1 395.522 4.284 20 0 GIADMP CCCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428597 823877488 /nfs/dbraw/zinc/87/74/88/823877488.db2.gz RWWQVIPUJUOUPJ-MZYLBHOOSA-N 2 1 398.595 4.001 20 0 GIADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428597 823877497 /nfs/dbraw/zinc/87/74/97/823877497.db2.gz RWWQVIPUJUOUPJ-MZYLBHOOSA-N 2 1 398.595 4.001 20 0 GIADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428597 823877507 /nfs/dbraw/zinc/87/75/07/823877507.db2.gz RWWQVIPUJUOUPJ-MZYLBHOOSA-N 2 1 398.595 4.001 20 0 GIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414172231 823922612 /nfs/dbraw/zinc/92/26/12/823922612.db2.gz DNHOFFKPFXAEKV-OXQOHEQNSA-N 2 1 395.385 4.238 20 0 GIADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000575331830 823957101 /nfs/dbraw/zinc/95/71/01/823957101.db2.gz WCTIPNSXEAWAQW-OAQYLSRUSA-N 2 1 394.519 4.014 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838697 823963342 /nfs/dbraw/zinc/96/33/42/823963342.db2.gz XUFANAKTFSQJOK-OALUTQOASA-N 2 1 397.588 4.438 20 0 GIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838697 823963345 /nfs/dbraw/zinc/96/33/45/823963345.db2.gz XUFANAKTFSQJOK-OALUTQOASA-N 2 1 397.588 4.438 20 0 GIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790627 823996927 /nfs/dbraw/zinc/99/69/27/823996927.db2.gz PZPFTZLQCZTKMR-RPWUZVMVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790627 823996932 /nfs/dbraw/zinc/99/69/32/823996932.db2.gz PZPFTZLQCZTKMR-RPWUZVMVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790627 823996936 /nfs/dbraw/zinc/99/69/36/823996936.db2.gz PZPFTZLQCZTKMR-RPWUZVMVSA-N 2 1 384.527 4.098 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790627 823996940 /nfs/dbraw/zinc/99/69/40/823996940.db2.gz PZPFTZLQCZTKMR-RPWUZVMVSA-N 2 1 384.527 4.098 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414915226 824049502 /nfs/dbraw/zinc/04/95/02/824049502.db2.gz ZFAYWTICHZHLGG-KRWDZBQOSA-N 2 1 391.519 4.396 20 0 GIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942421 824052758 /nfs/dbraw/zinc/05/27/58/824052758.db2.gz DKBZPDKBMUCDPX-BBRMVZONSA-N 2 1 392.330 4.476 20 0 GIADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C)c1OCc1ccccn1 ZINC000576028616 824053432 /nfs/dbraw/zinc/05/34/32/824053432.db2.gz MZJBLERIZPVTPP-AIZNXBIQSA-N 2 1 379.548 4.334 20 0 GIADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1OCc1ccccn1 ZINC000576028616 824053435 /nfs/dbraw/zinc/05/34/35/824053435.db2.gz MZJBLERIZPVTPP-AIZNXBIQSA-N 2 1 379.548 4.334 20 0 GIADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1OCc1ccccn1 ZINC000576028616 824053437 /nfs/dbraw/zinc/05/34/37/824053437.db2.gz MZJBLERIZPVTPP-AIZNXBIQSA-N 2 1 379.548 4.334 20 0 GIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1 ZINC001164627496 719049157 /nfs/dbraw/zinc/04/91/57/719049157.db2.gz VKULXEOAEPNDCW-ARNLJNQMSA-N 2 1 390.575 4.212 20 0 GIADMP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026163 721815466 /nfs/dbraw/zinc/81/54/66/721815466.db2.gz PIXMMAHZJFDBKN-VLCRHTCISA-N 2 1 380.536 4.001 20 0 GIADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2)cc1 ZINC001164939625 721929796 /nfs/dbraw/zinc/92/97/96/721929796.db2.gz NGFMCRQFUBMNBM-UHFFFAOYSA-N 2 1 390.531 4.051 20 0 GIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165047085 721971914 /nfs/dbraw/zinc/97/19/14/721971914.db2.gz IKFVNWLLVJAWMD-LJQANCHMSA-N 2 1 376.976 4.176 20 0 GIADMP C[N@@H+](Cc1ccc(N2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209653 /nfs/dbraw/zinc/20/96/53/722209653.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 2 1 394.538 4.060 20 0 GIADMP C[NH+](Cc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209655 /nfs/dbraw/zinc/20/96/55/722209655.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 2 1 394.538 4.060 20 0 GIADMP C[NH+](Cc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209659 /nfs/dbraw/zinc/20/96/59/722209659.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 2 1 394.538 4.060 20 0 GIADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515644 823048851 /nfs/dbraw/zinc/04/88/51/823048851.db2.gz MEXZRRDKKAHFTK-WOJBJXKFSA-N 2 1 380.532 4.192 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849077 823095349 /nfs/dbraw/zinc/09/53/49/823095349.db2.gz SIALWAIVVQDIGL-XMMPIXPASA-N 2 1 396.575 4.240 20 0 GIADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849077 823095352 /nfs/dbraw/zinc/09/53/52/823095352.db2.gz SIALWAIVVQDIGL-XMMPIXPASA-N 2 1 396.575 4.240 20 0 GIADMP CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000187694417 823114675 /nfs/dbraw/zinc/11/46/75/823114675.db2.gz QHMNFBGKJGJBCZ-IAGOWNOFSA-N 2 1 384.524 4.088 20 0 GIADMP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571136773 823139336 /nfs/dbraw/zinc/13/93/36/823139336.db2.gz DOTBUAPCPMBSEC-GKBBYZSKSA-N 2 1 388.555 4.243 20 0 GIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375902 823176576 /nfs/dbraw/zinc/17/65/76/823176576.db2.gz KRFVDESCOLAKIE-LJQANCHMSA-N 2 1 381.568 4.414 20 0 GIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375902 823176577 /nfs/dbraw/zinc/17/65/77/823176577.db2.gz KRFVDESCOLAKIE-LJQANCHMSA-N 2 1 381.568 4.414 20 0 GIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384845 823179272 /nfs/dbraw/zinc/17/92/72/823179272.db2.gz YEAQHYSEJYKAHA-NQIIRXRSSA-N 2 1 381.568 4.365 20 0 GIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384845 823179274 /nfs/dbraw/zinc/17/92/74/823179274.db2.gz YEAQHYSEJYKAHA-NQIIRXRSSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384845 823179276 /nfs/dbraw/zinc/17/92/76/823179276.db2.gz YEAQHYSEJYKAHA-NQIIRXRSSA-N 2 1 381.568 4.365 20 0 GIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384845 823179277 /nfs/dbraw/zinc/17/92/77/823179277.db2.gz YEAQHYSEJYKAHA-NQIIRXRSSA-N 2 1 381.568 4.365 20 0 GIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459385426 823179551 /nfs/dbraw/zinc/17/95/51/823179551.db2.gz HQLZOHDXOJTPBJ-UHFFFAOYSA-N 2 1 381.568 4.413 20 0 GIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385513 823179648 /nfs/dbraw/zinc/17/96/48/823179648.db2.gz YPVVHGAPFWYXRX-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385513 823179652 /nfs/dbraw/zinc/17/96/52/823179652.db2.gz YPVVHGAPFWYXRX-LJQANCHMSA-N 2 1 381.568 4.224 20 0 GIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459392668 823181752 /nfs/dbraw/zinc/18/17/52/823181752.db2.gz LZBWLRHXHJRTBU-FQEVSTJZSA-N 2 1 381.564 4.042 20 0 GIADMP O=C1CC[C@H](C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517893 823209870 /nfs/dbraw/zinc/20/98/70/823209870.db2.gz GDHGNIFGKOOXEH-LADGPHEKSA-N 2 1 397.607 4.060 20 0 GIADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409659365 823276105 /nfs/dbraw/zinc/27/61/05/823276105.db2.gz KSNBZLIUNSKRPZ-OAHLLOKOSA-N 2 1 380.467 4.299 20 0 GIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000122135886 823311534 /nfs/dbraw/zinc/31/15/34/823311534.db2.gz ZBFXFEDDNMPJTM-UHFFFAOYSA-N 2 1 389.515 4.051 20 0 GIADMP Cc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000460343758 823359189 /nfs/dbraw/zinc/35/91/89/823359189.db2.gz RJJFBUJOZNILGD-ROUUACIJSA-N 2 1 399.966 4.333 20 0 GIADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000460346083 823359878 /nfs/dbraw/zinc/35/98/78/823359878.db2.gz FNWSUYYFUSIJGD-IAGOWNOFSA-N 2 1 385.939 4.025 20 0 GIADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000460357972 823363114 /nfs/dbraw/zinc/36/31/14/823363114.db2.gz JMBXAMPWCIWXCF-IRXDYDNUSA-N 2 1 385.939 4.025 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000572719361 823388610 /nfs/dbraw/zinc/38/86/10/823388610.db2.gz XOGSAWRLDWRIKN-HRAATJIYSA-N 2 1 376.504 4.084 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000122722818 823400662 /nfs/dbraw/zinc/40/06/62/823400662.db2.gz LGFKJRXODYWIMC-JKSUJKDBSA-N 2 1 385.474 4.277 20 0 GIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762765 823407943 /nfs/dbraw/zinc/40/79/43/823407943.db2.gz DFRDNAGDYCSRKN-GOSISDBHSA-N 2 1 392.547 4.070 20 0 GIADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762765 823407946 /nfs/dbraw/zinc/40/79/46/823407946.db2.gz DFRDNAGDYCSRKN-GOSISDBHSA-N 2 1 392.547 4.070 20 0 GIADMP COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000177288236 823422309 /nfs/dbraw/zinc/42/23/09/823422309.db2.gz QYXIFFKWVNBEKN-LJQANCHMSA-N 2 1 398.547 4.036 20 0 GIADMP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000573010468 823433075 /nfs/dbraw/zinc/43/30/75/823433075.db2.gz CGNVKCGFNDCSCM-QILAJZQNSA-N 2 1 394.559 4.135 20 0 GIADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000177370334 823447422 /nfs/dbraw/zinc/44/74/22/823447422.db2.gz XHEZAUNVBHRBIW-IBGZPJMESA-N 2 1 391.515 4.419 20 0 GIADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC000410356303 823472351 /nfs/dbraw/zinc/47/23/51/823472351.db2.gz BHYISUYSCPTPFU-QHAWAJNXSA-N 2 1 375.516 4.179 20 0 GIADMP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030543560 820636532 /nfs/dbraw/zinc/63/65/32/820636532.db2.gz WZYDQTFWRKTQNC-UHFFFAOYSA-N 2 1 380.561 4.371 20 0 GIADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000030907127 820706974 /nfs/dbraw/zinc/70/69/74/820706974.db2.gz CBBDWXBHLXBSDI-SFHVURJKSA-N 2 1 390.506 4.252 20 0 GIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000123629449 823527428 /nfs/dbraw/zinc/52/74/28/823527428.db2.gz YPHROGCIXANHDF-KRWDZBQOSA-N 2 1 379.976 4.338 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177855470 823536729 /nfs/dbraw/zinc/53/67/29/823536729.db2.gz TXFXOYANTOVRJT-GOSISDBHSA-N 2 1 388.515 4.136 20 0 GIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000180645249 821380361 /nfs/dbraw/zinc/38/03/61/821380361.db2.gz WUZQDVFMENIZMI-KSSFIOAISA-N 2 1 379.331 4.411 20 0 GIADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180738474 821426421 /nfs/dbraw/zinc/42/64/21/821426421.db2.gz LCXITEOTPCVEMB-MSOLQXFVSA-N 2 1 387.593 4.413 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405336 821809055 /nfs/dbraw/zinc/80/90/55/821809055.db2.gz WZHAQZKWQXTDBU-RDJZCZTQSA-N 2 1 393.622 4.265 20 0 GIADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405336 821809064 /nfs/dbraw/zinc/80/90/64/821809064.db2.gz WZHAQZKWQXTDBU-RDJZCZTQSA-N 2 1 393.622 4.265 20 0 GIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000181930576 822038880 /nfs/dbraw/zinc/03/88/80/822038880.db2.gz MYKRPGMOSHQRPG-OTWHNJEPSA-N 2 1 395.547 4.105 20 0 GIADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000182240829 822162526 /nfs/dbraw/zinc/16/25/26/822162526.db2.gz XPJVBDWZJNUTSV-OXQOHEQNSA-N 2 1 388.552 4.355 20 0 GIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262481 822176143 /nfs/dbraw/zinc/17/61/43/822176143.db2.gz JKJAVRGBPKBFEN-ICSRJNTNSA-N 2 1 388.964 4.233 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182410034 822233122 /nfs/dbraw/zinc/23/31/22/822233122.db2.gz DHFHXTQLMDBNBL-FQEVSTJZSA-N 2 1 397.579 4.386 20 0 GIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000178035116 822292267 /nfs/dbraw/zinc/29/22/67/822292267.db2.gz YYUVYZDESXWKQR-MJBXVCDLSA-N 2 1 375.376 4.051 20 0 GIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800670 822411468 /nfs/dbraw/zinc/41/14/68/822411468.db2.gz GSFBJEJNXNQDKQ-UTKZUKDTSA-N 2 1 390.543 4.299 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000183150133 822431686 /nfs/dbraw/zinc/43/16/86/822431686.db2.gz FCALXBWBERGXRI-HNNXBMFYSA-N 2 1 382.895 4.432 20 0 GIADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183157811 822433101 /nfs/dbraw/zinc/43/31/01/822433101.db2.gz XNAIHJPPHJOBHM-QGZVFWFLSA-N 2 1 376.504 4.341 20 0 GIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007949 822434013 /nfs/dbraw/zinc/43/40/13/822434013.db2.gz UWWJWTRSSBGWCI-IBGZPJMESA-N 2 1 394.563 4.302 20 0 GIADMP C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191202 822438752 /nfs/dbraw/zinc/43/87/52/822438752.db2.gz YGBLUOQBJFFECZ-VZZOBAOTSA-N 2 1 381.564 4.062 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183441979 822475630 /nfs/dbraw/zinc/47/56/30/822475630.db2.gz IMNGGECRGRZWSR-LJQANCHMSA-N 2 1 397.567 4.441 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183441997 822475641 /nfs/dbraw/zinc/47/56/41/822475641.db2.gz IMNGGECRGRZWSR-IBGZPJMESA-N 2 1 397.567 4.441 20 0 GIADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391406 822475837 /nfs/dbraw/zinc/47/58/37/822475837.db2.gz SXPXHLFCVQJQDM-SFHVURJKSA-N 2 1 398.526 4.095 20 0 GIADMP CCn1c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2cc(F)ccc21 ZINC000179392048 822476094 /nfs/dbraw/zinc/47/60/94/822476094.db2.gz JBPXZAIRUZWXSH-UHFFFAOYSA-N 2 1 395.526 4.329 20 0 GIADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392389 822476169 /nfs/dbraw/zinc/47/61/69/822476169.db2.gz FWAUYRSMKBMEAV-HXUWFJFHSA-N 2 1 394.563 4.264 20 0 GIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000179395665 822476648 /nfs/dbraw/zinc/47/66/48/822476648.db2.gz QDELUXLFDZEYEQ-UHFFFAOYSA-N 2 1 375.520 4.006 20 0 GIADMP Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428126 822481156 /nfs/dbraw/zinc/48/11/56/822481156.db2.gz NQKGKXJWFYBHQX-AMZGXZFVSA-N 2 1 389.547 4.192 20 0 GIADMP Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428126 822481160 /nfs/dbraw/zinc/48/11/60/822481160.db2.gz NQKGKXJWFYBHQX-AMZGXZFVSA-N 2 1 389.547 4.192 20 0 GIADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000179509699 822493359 /nfs/dbraw/zinc/49/33/59/822493359.db2.gz FTKGYXMGWKTYIY-GFCCVEGCSA-N 2 1 386.298 4.319 20 0 GIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000183674349 822509427 /nfs/dbraw/zinc/50/94/27/822509427.db2.gz YIXABKJHKBSKEN-IIBYNOLFSA-N 2 1 399.922 4.062 20 0 GIADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679871 822510300 /nfs/dbraw/zinc/51/03/00/822510300.db2.gz ZLMBAUKBHKLISL-KSFYIVLOSA-N 2 1 392.503 4.257 20 0 GIADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183706906 822514730 /nfs/dbraw/zinc/51/47/30/822514730.db2.gz PUGTXTYOZXFJTD-SJORKVTESA-N 2 1 393.487 4.144 20 0 GIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180015597 822597093 /nfs/dbraw/zinc/59/70/93/822597093.db2.gz WZIVFMGRFNODKV-HXUWFJFHSA-N 2 1 385.518 4.410 20 0 GIADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1OCc1ccncc1 ZINC000184332899 822617078 /nfs/dbraw/zinc/61/70/78/822617078.db2.gz HGDUNODNQOXCHJ-LJQANCHMSA-N 2 1 383.536 4.023 20 0 GIADMP Cc1cc(C)c(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000184743056 822684985 /nfs/dbraw/zinc/68/49/85/822684985.db2.gz QXCOVFIMPHUGOI-SFTDATJTSA-N 2 1 393.575 4.297 20 0 GIADMP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000455835289 822733899 /nfs/dbraw/zinc/73/38/99/822733899.db2.gz ACFMCGUMDHSOIZ-VSDWSMLSSA-N 2 1 392.547 4.020 20 0 GIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942354 822754439 /nfs/dbraw/zinc/75/44/39/822754439.db2.gz VDEWURGFHZGDIX-FHZYATBESA-N 2 1 392.547 4.193 20 0 GIADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404705 822785536 /nfs/dbraw/zinc/78/55/36/822785536.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 2 1 385.939 4.123 20 0 GIADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404705 822785539 /nfs/dbraw/zinc/78/55/39/822785539.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 2 1 385.939 4.123 20 0 GIADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404705 822785541 /nfs/dbraw/zinc/78/55/41/822785541.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 2 1 385.939 4.123 20 0 GIADMP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000456168122 822785755 /nfs/dbraw/zinc/78/57/55/822785755.db2.gz KWUMSLYXRDSAST-UHFFFAOYSA-N 2 1 381.564 4.169 20 0 GIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1)C1CC1 ZINC000456256642 822790705 /nfs/dbraw/zinc/79/07/05/822790705.db2.gz CRSIKCVMWCEREC-HSZRJFAPSA-N 2 1 377.532 4.472 20 0 GIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000052120020 822790958 /nfs/dbraw/zinc/79/09/58/822790958.db2.gz QSMVFDPZEHDJJC-UHFFFAOYSA-N 2 1 385.515 4.202 20 0 GIADMP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516947 822799826 /nfs/dbraw/zinc/79/98/26/822799826.db2.gz BJGZHSHSGRNPJF-LAUBAEHRSA-N 2 1 378.495 4.251 20 0 GIADMP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC(F)(F)F ZINC000174598845 822810237 /nfs/dbraw/zinc/81/02/37/822810237.db2.gz AWOBSAYPAKEDHQ-ALOPSCKCSA-N 2 1 386.458 4.131 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742828 822816787 /nfs/dbraw/zinc/81/67/87/822816787.db2.gz VRZBJGIKFGBQLP-CMKODMSKSA-N 2 1 397.563 4.195 20 0 GIADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742828 822816791 /nfs/dbraw/zinc/81/67/91/822816791.db2.gz VRZBJGIKFGBQLP-CMKODMSKSA-N 2 1 397.563 4.195 20 0 GIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3sccc3OC)CC2)cs1 ZINC000186160340 822856871 /nfs/dbraw/zinc/85/68/71/822856871.db2.gz VAMKJBFDFBTBEN-AWEZNQCLSA-N 2 1 379.595 4.338 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175216353 822906565 /nfs/dbraw/zinc/90/65/65/822906565.db2.gz MWLMKLKUKZSWAS-FXAWDEMLSA-N 2 1 383.540 4.001 20 0 GIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175216353 822906567 /nfs/dbraw/zinc/90/65/67/822906567.db2.gz MWLMKLKUKZSWAS-FXAWDEMLSA-N 2 1 383.540 4.001 20 0 GIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187086124 823008839 /nfs/dbraw/zinc/00/88/39/823008839.db2.gz KLOZTRHRIFUHLA-IBGZPJMESA-N 2 1 383.580 4.072 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000411429647 823573214 /nfs/dbraw/zinc/57/32/14/823573214.db2.gz RNPCTDDMFZFZQV-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000411429647 823573215 /nfs/dbraw/zinc/57/32/15/823573215.db2.gz RNPCTDDMFZFZQV-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000411429647 823573216 /nfs/dbraw/zinc/57/32/16/823573216.db2.gz RNPCTDDMFZFZQV-OAQYLSRUSA-N 2 1 379.552 4.048 20 0 GIADMP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514757 823583143 /nfs/dbraw/zinc/58/31/43/823583143.db2.gz GRIDNLJFPSAIIK-WBVHZDCISA-N 2 1 388.943 4.175 20 0 GIADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518420 823583633 /nfs/dbraw/zinc/58/36/33/823583633.db2.gz PGROBFCFGCTJJD-HZPDHXFCSA-N 2 1 397.485 4.277 20 0 GIADMP CC(CC[NH+]1CCCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719337 823599729 /nfs/dbraw/zinc/59/97/29/823599729.db2.gz NMKCPJVZMVFGEO-VXKWHMMOSA-N 2 1 384.572 4.303 20 0 GIADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000061570978 823604633 /nfs/dbraw/zinc/60/46/33/823604633.db2.gz OEOKVPHVHUGHOI-UHFFFAOYSA-N 2 1 395.572 4.084 20 0 GIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116323 823627604 /nfs/dbraw/zinc/62/76/04/823627604.db2.gz KHSYJXWFDXJKCF-GGAORHGYSA-N 2 1 397.607 4.399 20 0 GIADMP CC[NH+]1CCC(CNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000063248099 823656730 /nfs/dbraw/zinc/65/67/30/823656730.db2.gz NNUOSTIXTQTBBM-UHFFFAOYSA-N 2 1 387.597 4.048 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209580 823659430 /nfs/dbraw/zinc/65/94/30/823659430.db2.gz XHUBADPOKTYIMZ-MSOLQXFVSA-N 2 1 384.568 4.018 20 0 GIADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209580 823659431 /nfs/dbraw/zinc/65/94/31/823659431.db2.gz XHUBADPOKTYIMZ-MSOLQXFVSA-N 2 1 384.568 4.018 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513060 823694053 /nfs/dbraw/zinc/69/40/53/823694053.db2.gz XLBIXDVMCGMNRT-AWEZNQCLSA-N 2 1 386.569 4.122 20 0 GIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513060 823694054 /nfs/dbraw/zinc/69/40/54/823694054.db2.gz XLBIXDVMCGMNRT-AWEZNQCLSA-N 2 1 386.569 4.122 20 0 GIADMP COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1Cl ZINC000163526260 823718445 /nfs/dbraw/zinc/71/84/45/823718445.db2.gz UPXLAARQDFYUSX-OAHLLOKOSA-N 2 1 389.927 4.380 20 0 GIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451965 823733813 /nfs/dbraw/zinc/73/38/13/823733813.db2.gz YZYBZBWGXUKIPM-NHCUHLMSSA-N 2 1 378.516 4.003 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451965 823733820 /nfs/dbraw/zinc/73/38/20/823733820.db2.gz YZYBZBWGXUKIPM-NHCUHLMSSA-N 2 1 378.516 4.003 20 0 GIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451967 823734270 /nfs/dbraw/zinc/73/42/70/823734270.db2.gz YZYBZBWGXUKIPM-SFTDATJTSA-N 2 1 378.516 4.003 20 0 GIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451967 823734273 /nfs/dbraw/zinc/73/42/73/823734273.db2.gz YZYBZBWGXUKIPM-SFTDATJTSA-N 2 1 378.516 4.003 20 0 GIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163779576 823748009 /nfs/dbraw/zinc/74/80/09/823748009.db2.gz RQJCMMLJKUUWBI-KRWDZBQOSA-N 2 1 395.526 4.407 20 0 GIADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574519323 823753932 /nfs/dbraw/zinc/75/39/32/823753932.db2.gz OGOXYZFIWGLPPJ-AZUAARDMSA-N 2 1 393.531 4.127 20 0 GIADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823009 /nfs/dbraw/zinc/82/30/09/823823009.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 2 1 388.559 4.349 20 0 GIADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823018 /nfs/dbraw/zinc/82/30/18/823823018.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 2 1 388.559 4.349 20 0 GIADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823030 /nfs/dbraw/zinc/82/30/30/823823030.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 2 1 388.559 4.349 20 0 GIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300262 823842838 /nfs/dbraw/zinc/84/28/38/823842838.db2.gz MDVZKDLRZFORBL-AZUAARDMSA-N 2 1 391.559 4.132 20 0 GIADMP CCCC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428818 823877649 /nfs/dbraw/zinc/87/76/49/823877649.db2.gz RWWQVIPUJUOUPJ-WWNPGLIZSA-N 2 1 398.595 4.001 20 0 GIADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428818 823877650 /nfs/dbraw/zinc/87/76/50/823877650.db2.gz RWWQVIPUJUOUPJ-WWNPGLIZSA-N 2 1 398.595 4.001 20 0 GIADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428818 823877653 /nfs/dbraw/zinc/87/76/53/823877653.db2.gz RWWQVIPUJUOUPJ-WWNPGLIZSA-N 2 1 398.595 4.001 20 0 GIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581389 823879648 /nfs/dbraw/zinc/87/96/48/823879648.db2.gz QYJUWFQYJPQTID-GGAORHGYSA-N 2 1 397.563 4.261 20 0 GIADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000167876702 823897486 /nfs/dbraw/zinc/89/74/86/823897486.db2.gz NZLSOABAMQLKKX-QTEQDKRBSA-N 2 1 380.580 4.011 20 0 GIADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000167876702 823897490 /nfs/dbraw/zinc/89/74/90/823897490.db2.gz NZLSOABAMQLKKX-QTEQDKRBSA-N 2 1 380.580 4.011 20 0 GIADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171667 823922348 /nfs/dbraw/zinc/92/23/48/823922348.db2.gz DKBHCUKWQJMPOK-QWHCGFSZSA-N 2 1 378.410 4.272 20 0 GIADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673441 823924343 /nfs/dbraw/zinc/92/43/43/823924343.db2.gz KOJKTJMLALRARC-DNQXCXABSA-N 2 1 386.543 4.315 20 0 GIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673441 823924353 /nfs/dbraw/zinc/92/43/53/823924353.db2.gz KOJKTJMLALRARC-DNQXCXABSA-N 2 1 386.543 4.315 20 0 GIADMP CC[N@@H+](CCC1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1)CC(C)C ZINC000575203427 823937965 /nfs/dbraw/zinc/93/79/65/823937965.db2.gz AJBHOBPHLZNIEJ-UHFFFAOYSA-N 2 1 396.579 4.152 20 0 GIADMP CCOCc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217774 823942698 /nfs/dbraw/zinc/94/26/98/823942698.db2.gz AVAATORDKJFQGL-RUZDIDTESA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217774 823942707 /nfs/dbraw/zinc/94/27/07/823942707.db2.gz AVAATORDKJFQGL-RUZDIDTESA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217774 823942716 /nfs/dbraw/zinc/94/27/16/823942716.db2.gz AVAATORDKJFQGL-RUZDIDTESA-N 2 1 394.559 4.330 20 0 GIADMP CCOCc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217774 823942725 /nfs/dbraw/zinc/94/27/25/823942725.db2.gz AVAATORDKJFQGL-RUZDIDTESA-N 2 1 394.559 4.330 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879716 823972616 /nfs/dbraw/zinc/97/26/16/823972616.db2.gz OHLGKQPFVXPZNT-MOPGFXCFSA-N 2 1 397.588 4.438 20 0 GIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879716 823972625 /nfs/dbraw/zinc/97/26/25/823972625.db2.gz OHLGKQPFVXPZNT-MOPGFXCFSA-N 2 1 397.588 4.438 20 0 GIADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C(F)(F)F ZINC000414427518 823982722 /nfs/dbraw/zinc/98/27/22/823982722.db2.gz JQOZOOFUMQYGFR-FQEVSTJZSA-N 2 1 392.465 4.260 20 0 GIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714574 824025684 /nfs/dbraw/zinc/02/56/84/824025684.db2.gz QJDMPLYMSGQOIG-PMACEKPBSA-N 2 1 398.595 4.305 20 0 GIADMP COc1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959172 824038399 /nfs/dbraw/zinc/03/83/99/824038399.db2.gz LUOGUQKLAJUFKU-KUHUBIRLSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959172 824038404 /nfs/dbraw/zinc/03/84/04/824038404.db2.gz LUOGUQKLAJUFKU-KUHUBIRLSA-N 2 1 381.358 4.229 20 0 GIADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959172 824038409 /nfs/dbraw/zinc/03/84/09/824038409.db2.gz LUOGUQKLAJUFKU-KUHUBIRLSA-N 2 1 381.358 4.229 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039307 /nfs/dbraw/zinc/03/93/07/824039307.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039310 /nfs/dbraw/zinc/03/93/10/824039310.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 2 1 390.506 4.170 20 0 GIADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039313 /nfs/dbraw/zinc/03/93/13/824039313.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 2 1 390.506 4.170 20 0 GIADMP