smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818616 823070733 /nfs/dbraw/zinc/07/07/33/823070733.db2.gz DPJTUEMVMDFFGF-XXBNENTESA-N 1 1 397.538 4.150 20 10 GICDMO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120865850 823079274 /nfs/dbraw/zinc/07/92/74/823079274.db2.gz KMNJPNBAABLBNB-UHFFFAOYSA-N 1 1 397.519 4.418 20 10 GICDMO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120865850 823079281 /nfs/dbraw/zinc/07/92/81/823079281.db2.gz KMNJPNBAABLBNB-UHFFFAOYSA-N 1 1 397.519 4.418 20 10 GICDMO C[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679290 823265746 /nfs/dbraw/zinc/26/57/46/823265746.db2.gz NOPHOWYXGOUCEB-MRXNPFEDSA-N 1 1 391.496 4.225 20 10 GICDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873831 823508681 /nfs/dbraw/zinc/50/86/81/823508681.db2.gz VACFMWYYSAKZHJ-KRWDZBQOSA-N 1 1 383.517 4.041 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000182361146 822215398 /nfs/dbraw/zinc/21/53/98/822215398.db2.gz ICNCWXOJRWGVQM-NSHDSACASA-N 1 1 393.365 4.320 20 10 GICDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000045780161 822412892 /nfs/dbraw/zinc/41/28/92/822412892.db2.gz WGGHFQWBKXOLFY-GOSISDBHSA-N 1 1 381.520 4.108 20 10 GICDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103328 822424803 /nfs/dbraw/zinc/42/48/03/822424803.db2.gz FLAHIQWESOPJJO-MUUNZHRXSA-N 1 1 395.524 4.341 20 10 GICDMO Cc1nc(C(F)(F)F)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000183611627 822501274 /nfs/dbraw/zinc/50/12/74/822501274.db2.gz BISNNMQDNZNDQA-CQSZACIVSA-N 1 1 386.439 4.357 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180508580 822693552 /nfs/dbraw/zinc/69/35/52/822693552.db2.gz CMFNYVPRVIQZLU-JOCHJYFZSA-N 1 1 384.474 4.424 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(F)cc1O ZINC000185074421 822733189 /nfs/dbraw/zinc/73/31/89/822733189.db2.gz GBDDPKSSKAHPBH-INIZCTEOSA-N 1 1 382.435 4.235 20 10 GICDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cc1O ZINC000185447250 822785394 /nfs/dbraw/zinc/78/53/94/822785394.db2.gz NMOYWIBVOUUUAI-OAHLLOKOSA-N 1 1 394.450 4.099 20 10 GICDMO COc1ccc(C)cc1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686768 822807403 /nfs/dbraw/zinc/80/74/03/822807403.db2.gz HEGXDFHPLRPFLL-UHFFFAOYSA-N 1 1 381.520 4.064 20 10 GICDMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686768 822807404 /nfs/dbraw/zinc/80/74/04/822807404.db2.gz HEGXDFHPLRPFLL-UHFFFAOYSA-N 1 1 381.520 4.064 20 10 GICDMO CCOc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686770 822807415 /nfs/dbraw/zinc/80/74/15/822807415.db2.gz MIIKTUINIOACBP-UHFFFAOYSA-N 1 1 381.520 4.146 20 10 GICDMO CCOc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686770 822807419 /nfs/dbraw/zinc/80/74/19/822807419.db2.gz MIIKTUINIOACBP-UHFFFAOYSA-N 1 1 381.520 4.146 20 10 GICDMO Cc1csc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)n1 ZINC000569389451 822915040 /nfs/dbraw/zinc/91/50/40/822915040.db2.gz TZKFSNLAOFRHPI-UHFFFAOYSA-N 1 1 393.516 4.271 20 10 GICDMO CN1C(=O)CCc2cc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000186746611 822949067 /nfs/dbraw/zinc/94/90/67/822949067.db2.gz JMTFGZCOIAVFNG-UHFFFAOYSA-N 1 1 376.456 4.097 20 10 GICDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000123950243 823554502 /nfs/dbraw/zinc/55/45/02/823554502.db2.gz PWBPGWXAYUJFFP-UHFFFAOYSA-N 1 1 394.437 4.096 20 10 GICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124119762 823569257 /nfs/dbraw/zinc/56/92/57/823569257.db2.gz OHHDPRKCLIDYDI-OAQYLSRUSA-N 1 1 393.579 4.374 20 10 GICDMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164329680 823796835 /nfs/dbraw/zinc/79/68/35/823796835.db2.gz LOSCWGDJXMQLIW-INIZCTEOSA-N 1 1 390.568 4.073 20 10 GICDMO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192644734 824054760 /nfs/dbraw/zinc/05/47/60/824054760.db2.gz QAHLIKSXIVJUDM-NSHDSACASA-N 1 1 383.275 4.247 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187519790 823080116 /nfs/dbraw/zinc/08/01/16/823080116.db2.gz VGKOYAGHTMZJMO-JOCHJYFZSA-N 1 1 384.474 4.424 20 10 GICDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522692 823366705 /nfs/dbraw/zinc/36/67/05/823366705.db2.gz FVBQYBJEXNLUAW-HUUCEWRRSA-N 1 1 376.447 4.222 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000182381225 822222832 /nfs/dbraw/zinc/22/28/32/822222832.db2.gz ZEOYEWXYJDUSPL-AWEZNQCLSA-N 1 1 397.500 4.393 20 10 GICDMO Oc1cccc([C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078998 822421866 /nfs/dbraw/zinc/42/18/66/822421866.db2.gz PJDGKMQWOKPZOB-XMMPIXPASA-N 1 1 391.467 4.250 20 10 GICDMO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078998 822421867 /nfs/dbraw/zinc/42/18/67/822421867.db2.gz PJDGKMQWOKPZOB-XMMPIXPASA-N 1 1 391.467 4.250 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1O ZINC000185060525 822730900 /nfs/dbraw/zinc/73/09/00/822730900.db2.gz ZDAQZCDXIOGKSJ-ZDUSSCGKSA-N 1 1 398.400 4.238 20 10 GICDMO Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000185084551 822734770 /nfs/dbraw/zinc/73/47/70/822734770.db2.gz JSRHSJPEYAVHFJ-NSHDSACASA-N 1 1 377.275 4.439 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185362620 822771925 /nfs/dbraw/zinc/77/19/25/822771925.db2.gz ZQIWBUPFKIBJFO-ZWKOTPCHSA-N 1 1 385.527 4.393 20 10 GICDMO Cc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000186427748 822893446 /nfs/dbraw/zinc/89/34/46/822893446.db2.gz HGORCMSRAFQRKX-MRXNPFEDSA-N 1 1 385.483 4.437 20 10 GICDMO FC(F)(F)CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000191781961 823766857 /nfs/dbraw/zinc/76/68/57/823766857.db2.gz CCWQJQIVEXQFRS-UHFFFAOYSA-N 1 1 378.438 4.478 20 10 GICDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000164541751 823807860 /nfs/dbraw/zinc/80/78/60/823807860.db2.gz NMURWCRSSVBWRS-UHFFFAOYSA-N 1 1 385.430 4.083 20 10 GICDMO CCC[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000022015293 818763555 /nfs/dbraw/zinc/76/35/55/818763555.db2.gz HLEFKCSDEOMQEV-SFHVURJKSA-N 1 1 395.609 4.386 20 10 GICDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522074 823366517 /nfs/dbraw/zinc/36/65/17/823366517.db2.gz FVBQYBJEXNLUAW-GJZGRUSLSA-N 1 1 376.447 4.222 20 10 GICDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238022 823483423 /nfs/dbraw/zinc/48/34/23/823483423.db2.gz YYFVWEXJLSEKLP-GJZGRUSLSA-N 1 1 384.505 4.047 20 10 GICDMO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922691 823514295 /nfs/dbraw/zinc/51/42/95/823514295.db2.gz XNDIRPFLFWMOAZ-GOSISDBHSA-N 1 1 386.517 4.241 20 10 GICDMO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922691 823514296 /nfs/dbraw/zinc/51/42/96/823514296.db2.gz XNDIRPFLFWMOAZ-GOSISDBHSA-N 1 1 386.517 4.241 20 10 GICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1OC ZINC000180711117 821410231 /nfs/dbraw/zinc/41/02/31/821410231.db2.gz ZUFARMPWUBUBBJ-HXUWFJFHSA-N 1 1 399.512 4.207 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ncc(Br)s1 ZINC000179207144 822450939 /nfs/dbraw/zinc/45/09/39/822450939.db2.gz JNZMLHBONYISDE-GFCCVEGCSA-N 1 1 398.395 4.310 20 10 GICDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513516 822488379 /nfs/dbraw/zinc/48/83/79/822488379.db2.gz WSLIKFHPYTUCBW-SFHVURJKSA-N 1 1 383.517 4.035 20 10 GICDMO OC1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2F)CC1 ZINC000180214572 822640814 /nfs/dbraw/zinc/64/08/14/822640814.db2.gz YQXKIZRLIMULLW-XMMPIXPASA-N 1 1 391.490 4.061 20 10 GICDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180504220 822692395 /nfs/dbraw/zinc/69/23/95/822692395.db2.gz TWQBBGOUYRJJMQ-GDBMZVCRSA-N 1 1 382.323 4.304 20 10 GICDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180506421 822693034 /nfs/dbraw/zinc/69/30/34/822693034.db2.gz LPAXBLHHNIHZAS-HIFRSBDPSA-N 1 1 382.323 4.304 20 10 GICDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180506421 822693035 /nfs/dbraw/zinc/69/30/35/822693035.db2.gz LPAXBLHHNIHZAS-HIFRSBDPSA-N 1 1 382.323 4.304 20 10 GICDMO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542633 822699045 /nfs/dbraw/zinc/69/90/45/822699045.db2.gz KNTCXNVTZMQCJT-LEWJYISDSA-N 1 1 386.561 4.063 20 10 GICDMO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542633 822699048 /nfs/dbraw/zinc/69/90/48/822699048.db2.gz KNTCXNVTZMQCJT-LEWJYISDSA-N 1 1 386.561 4.063 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185362679 822771892 /nfs/dbraw/zinc/77/18/92/822771892.db2.gz ZQIWBUPFKIBJFO-MSOLQXFVSA-N 1 1 385.527 4.393 20 10 GICDMO CC[N@@H+](Cc1cccc(NC(C)=O)c1)Cc1cc(Br)ccc1O ZINC000174424401 822788205 /nfs/dbraw/zinc/78/82/05/822788205.db2.gz YXHQKUQAXIWLHY-UHFFFAOYSA-N 1 1 377.282 4.135 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000052466553 822800738 /nfs/dbraw/zinc/80/07/38/822800738.db2.gz XKNXOQIPMQADIK-UHFFFAOYSA-N 1 1 381.451 4.202 20 10 GICDMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000124088655 823566656 /nfs/dbraw/zinc/56/66/56/823566656.db2.gz FKNHDJXBPVYACL-UHFFFAOYSA-N 1 1 397.441 4.320 20 10 GICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124119521 823569277 /nfs/dbraw/zinc/56/92/77/823569277.db2.gz OHHDPRKCLIDYDI-NRFANRHFSA-N 1 1 393.579 4.374 20 10 GICDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000126042839 823773294 /nfs/dbraw/zinc/77/32/94/823773294.db2.gz HCZUPZLFOQCMDM-UHFFFAOYSA-N 1 1 378.447 4.033 20 10 GICDMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446275 823803170 /nfs/dbraw/zinc/80/31/70/823803170.db2.gz WJXMANZMCZTQFJ-SFHVURJKSA-N 1 1 381.394 4.302 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446275 823803179 /nfs/dbraw/zinc/80/31/79/823803179.db2.gz WJXMANZMCZTQFJ-SFHVURJKSA-N 1 1 381.394 4.302 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000182361644 822215368 /nfs/dbraw/zinc/21/53/68/822215368.db2.gz PTBMNNYGDWCENG-CYBMUJFWSA-N 1 1 388.464 4.426 20 10 GICDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047580680 822592870 /nfs/dbraw/zinc/59/28/70/822592870.db2.gz YWZSMAGZDFECBC-UHFFFAOYSA-N 1 1 378.476 4.424 20 10 GICDMO OCC1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180214956 822640772 /nfs/dbraw/zinc/64/07/72/822640772.db2.gz KHIUBRQRDKOJHM-VWLOTQADSA-N 1 1 387.527 4.170 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185362767 822771907 /nfs/dbraw/zinc/77/19/07/822771907.db2.gz FSSKYKTUFRMICR-HZPDHXFCSA-N 1 1 389.490 4.224 20 10 GICDMO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000186101222 822851623 /nfs/dbraw/zinc/85/16/23/822851623.db2.gz RFLRTPKIZLTZIR-CVEARBPZSA-N 1 1 388.483 4.238 20 10 GICDMO COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC000186427628 822893085 /nfs/dbraw/zinc/89/30/85/822893085.db2.gz JMXYPDDMAGDTKS-QGZVFWFLSA-N 1 1 397.519 4.307 20 10 GICDMO COc1ccc2nc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)sc2c1 ZINC000187243905 823029698 /nfs/dbraw/zinc/02/96/98/823029698.db2.gz BYOORCSEASOGQY-QGZVFWFLSA-N 1 1 384.501 4.192 20 10 GICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124200396 823576705 /nfs/dbraw/zinc/57/67/05/823576705.db2.gz ABRJKQKIUROERI-FQEVSTJZSA-N 1 1 381.568 4.230 20 10 GICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126690943 823928145 /nfs/dbraw/zinc/92/81/45/823928145.db2.gz ZGBAFGVXGFCUHL-ZWKOTPCHSA-N 1 1 384.543 4.055 20 10 GICDMO C[N@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000126958188 823989344 /nfs/dbraw/zinc/98/93/44/823989344.db2.gz KTYOMNRJHSGCBD-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO C[N@@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000126958188 823989349 /nfs/dbraw/zinc/98/93/49/823989349.db2.gz KTYOMNRJHSGCBD-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO Cn1cc([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000187521837 823080558 /nfs/dbraw/zinc/08/05/58/823080558.db2.gz FFQGBLRWKYWHDG-HSZRJFAPSA-N 1 1 378.495 4.429 20 10 GICDMO C[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121308004 823160106 /nfs/dbraw/zinc/16/01/06/823160106.db2.gz VJFXRGLOMRSUKK-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO C[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121308004 823160107 /nfs/dbraw/zinc/16/01/07/823160107.db2.gz VJFXRGLOMRSUKK-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678499 823265780 /nfs/dbraw/zinc/26/57/80/823265780.db2.gz YHVQOANVNPNQJL-KRWDZBQOSA-N 1 1 380.513 4.333 20 10 GICDMO COc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(F)F ZINC000176798894 823295427 /nfs/dbraw/zinc/29/54/27/823295427.db2.gz BFASABSIENIZQT-KRWDZBQOSA-N 1 1 393.430 4.183 20 10 GICDMO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387217 818433023 /nfs/dbraw/zinc/43/30/23/818433023.db2.gz UYYRMUKZJDMSQQ-UHFFFAOYSA-N 1 1 397.906 4.464 20 10 GICDMO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387217 818433034 /nfs/dbraw/zinc/43/30/34/818433034.db2.gz UYYRMUKZJDMSQQ-UHFFFAOYSA-N 1 1 397.906 4.464 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1O ZINC000177152254 823384502 /nfs/dbraw/zinc/38/45/02/823384502.db2.gz ANCRQSUEPUGTAY-UHFFFAOYSA-N 1 1 377.843 4.183 20 10 GICDMO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429934 821822996 /nfs/dbraw/zinc/82/29/96/821822996.db2.gz MPTNGURJRMSPIX-IBGZPJMESA-N 1 1 397.393 4.002 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429934 821823002 /nfs/dbraw/zinc/82/30/02/821823002.db2.gz MPTNGURJRMSPIX-IBGZPJMESA-N 1 1 397.393 4.002 20 10 GICDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)n1 ZINC000183002777 822409103 /nfs/dbraw/zinc/40/91/03/822409103.db2.gz XEQBJBLGQSQNEG-LJQANCHMSA-N 1 1 379.460 4.042 20 10 GICDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1n1ccnc1 ZINC000183124572 822427499 /nfs/dbraw/zinc/42/74/99/822427499.db2.gz KFVCXXLIHXJGPE-GCJKJVERSA-N 1 1 377.488 4.251 20 10 GICDMO CCOCc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC ZINC000179569969 822505198 /nfs/dbraw/zinc/50/51/98/822505198.db2.gz ASAXSZIFXYFCIM-NRFANRHFSA-N 1 1 385.504 4.119 20 10 GICDMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000185593618 822800244 /nfs/dbraw/zinc/80/02/44/822800244.db2.gz DBIIBMUDDOEQMH-IVZQSRNASA-N 1 1 399.487 4.375 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174657193 822819276 /nfs/dbraw/zinc/81/92/76/822819276.db2.gz RIEQFXYQOZUOLB-MRXNPFEDSA-N 1 1 380.492 4.442 20 10 GICDMO CC1(C)OCc2cc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)ccc2O1 ZINC000186250019 822864932 /nfs/dbraw/zinc/86/49/32/822864932.db2.gz QHXOZWUBOYVMGY-FQEVSTJZSA-N 1 1 383.488 4.219 20 10 GICDMO Oc1c(Br)cccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000123909271 823551048 /nfs/dbraw/zinc/55/10/48/823551048.db2.gz MSJVNNYEXLHYAJ-UHFFFAOYSA-N 1 1 386.293 4.411 20 10 GICDMO Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000187521856 823080536 /nfs/dbraw/zinc/08/05/36/823080536.db2.gz FFQGBLRWKYWHDG-QHCPKHFHSA-N 1 1 378.495 4.429 20 10 GICDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccc4nc(C)ccc4c3)cc2F)CC1 ZINC000189327643 823394950 /nfs/dbraw/zinc/39/49/50/823394950.db2.gz DDQAJFMUSYQMJZ-UHFFFAOYSA-N 1 1 392.522 4.114 20 10 GICDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000123359075 823501368 /nfs/dbraw/zinc/50/13/68/823501368.db2.gz ATBLLVOQHDGKPJ-KRWDZBQOSA-N 1 1 391.519 4.149 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1O ZINC000181363345 821788570 /nfs/dbraw/zinc/78/85/70/821788570.db2.gz WKHBOXKYVFDCBN-CYBMUJFWSA-N 1 1 386.879 4.226 20 10 GICDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176344 822866226 /nfs/dbraw/zinc/86/62/26/822866226.db2.gz CZUUKCVZYKMLQA-LBPRGKRZSA-N 1 1 390.277 4.006 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186297505 822872832 /nfs/dbraw/zinc/87/28/32/822872832.db2.gz UAJHVDGFYXSHGB-UHFFFAOYSA-N 1 1 382.504 4.053 20 10 GICDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)CC(F)(F)F)C1 ZINC000412676326 823673849 /nfs/dbraw/zinc/67/38/49/823673849.db2.gz MFPHGDMUOCKZCQ-OAHLLOKOSA-N 1 1 395.469 4.113 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1O ZINC000164204362 823786122 /nfs/dbraw/zinc/78/61/22/823786122.db2.gz TYTLROMMHYRVHZ-SFHVURJKSA-N 1 1 392.293 4.045 20 10 GICDMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000121203804 823138320 /nfs/dbraw/zinc/13/83/20/823138320.db2.gz YZLAJCBBWOPXCL-UHFFFAOYSA-N 1 1 377.532 4.025 20 10 GICDMO C[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676040 823264902 /nfs/dbraw/zinc/26/49/02/823264902.db2.gz SKUJVIKYEXRJHW-GOSISDBHSA-N 1 1 385.467 4.164 20 10 GICDMO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000007219157 817796428 /nfs/dbraw/zinc/79/64/28/817796428.db2.gz QLZPOJMNWMMUCW-LBPRGKRZSA-N 1 1 398.309 4.166 20 10 GICDMO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000024808679 819879358 /nfs/dbraw/zinc/87/93/58/819879358.db2.gz MPFKNGHOXZCONN-ZDUSSCGKSA-N 1 1 380.319 4.026 20 10 GICDMO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078976 822421828 /nfs/dbraw/zinc/42/18/28/822421828.db2.gz PJDGKMQWOKPZOB-DEOSSOPVSA-N 1 1 391.467 4.250 20 10 GICDMO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078976 822421829 /nfs/dbraw/zinc/42/18/29/822421829.db2.gz PJDGKMQWOKPZOB-DEOSSOPVSA-N 1 1 391.467 4.250 20 10 GICDMO COc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000184900706 822710077 /nfs/dbraw/zinc/71/00/77/822710077.db2.gz KMKJDMYITRTILN-HNNXBMFYSA-N 1 1 389.565 4.034 20 10 GICDMO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185306401 822762823 /nfs/dbraw/zinc/76/28/23/822762823.db2.gz OZAOHJMFQBPMSR-HOTGVXAUSA-N 1 1 385.483 4.199 20 10 GICDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000174392199 822782714 /nfs/dbraw/zinc/78/27/14/822782714.db2.gz LMZDDNMYSGUMQL-GCJKJVERSA-N 1 1 386.584 4.080 20 10 GICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1O ZINC000186048784 822847215 /nfs/dbraw/zinc/84/72/15/822847215.db2.gz SSPCCDYAEAFMMV-CYBMUJFWSA-N 1 1 384.277 4.463 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccc(F)c3C2)C1 ZINC000458134037 822961310 /nfs/dbraw/zinc/96/13/10/822961310.db2.gz RYCJWUUHGAMEIK-UHFFFAOYSA-N 1 1 391.490 4.089 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186996660 822994360 /nfs/dbraw/zinc/99/43/60/822994360.db2.gz MNJMDUWVBOPSGA-CYBMUJFWSA-N 1 1 378.289 4.434 20 10 GICDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c1 ZINC000124447769 823597707 /nfs/dbraw/zinc/59/77/07/823597707.db2.gz FFQSKXRYIHXOFJ-UHFFFAOYSA-N 1 1 396.531 4.052 20 10 GICDMO Oc1c(Br)cccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124602879 823610506 /nfs/dbraw/zinc/61/05/06/823610506.db2.gz JGIJWGNWNXLCMD-SFHVURJKSA-N 1 1 376.294 4.100 20 10 GICDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000126047572 823774866 /nfs/dbraw/zinc/77/48/66/823774866.db2.gz MRSQTMDQHJVFOD-UHFFFAOYSA-N 1 1 378.447 4.033 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1O ZINC000164258457 823790410 /nfs/dbraw/zinc/79/04/10/823790410.db2.gz GUBCOBTULAUQMV-INIZCTEOSA-N 1 1 397.450 4.278 20 10 GICDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000176119906 823126880 /nfs/dbraw/zinc/12/68/80/823126880.db2.gz VMYIAZZFDSRCAZ-MHZLTWQESA-N 1 1 383.513 4.387 20 10 GICDMO COc1cccc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)cc(C)[nH+]c12 ZINC000121656517 823223868 /nfs/dbraw/zinc/22/38/68/823223868.db2.gz UTYXOWYPOUWUKH-UHFFFAOYSA-N 1 1 395.478 4.264 20 10 GICDMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123300241 823492812 /nfs/dbraw/zinc/49/28/12/823492812.db2.gz URSYLPIQHRSBLA-MSOLQXFVSA-N 1 1 392.503 4.293 20 10 GICDMO Cc1ccc(NCc2cc(Cl)ccc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123536771 823518883 /nfs/dbraw/zinc/51/88/83/823518883.db2.gz UDSZGVPSLPJHNO-UHFFFAOYSA-N 1 1 387.911 4.391 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1O ZINC000181419546 821816997 /nfs/dbraw/zinc/81/69/97/821816997.db2.gz JNJNFLYNDUTUQP-ZDUSSCGKSA-N 1 1 386.879 4.226 20 10 GICDMO CC(C)c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000183484778 822483433 /nfs/dbraw/zinc/48/34/33/822483433.db2.gz PPJKFEMIVIVBJQ-UHFFFAOYSA-N 1 1 399.482 4.412 20 10 GICDMO CCOc1cccc(C[N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)c1O ZINC000179605527 822511364 /nfs/dbraw/zinc/51/13/64/822511364.db2.gz VDCFWNCDYMCMEK-UHFFFAOYSA-N 1 1 396.409 4.270 20 10 GICDMO CCOc1cccc(C[N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)c1O ZINC000179605527 822511365 /nfs/dbraw/zinc/51/13/65/822511365.db2.gz VDCFWNCDYMCMEK-UHFFFAOYSA-N 1 1 396.409 4.270 20 10 GICDMO Cc1c(-c2cc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)on2)cnn1C ZINC000184412137 822630151 /nfs/dbraw/zinc/63/01/51/822630151.db2.gz LIJOOQJUGQFONN-UHFFFAOYSA-N 1 1 379.508 4.006 20 10 GICDMO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961118 822718741 /nfs/dbraw/zinc/71/87/41/822718741.db2.gz XULIXIUMFNRPOG-QMHKHESXSA-N 1 1 391.515 4.453 20 10 GICDMO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1O ZINC000185024727 822726445 /nfs/dbraw/zinc/72/64/45/822726445.db2.gz PQRQEWPECIKQNB-GFCCVEGCSA-N 1 1 383.389 4.265 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185362788 822771902 /nfs/dbraw/zinc/77/19/02/822771902.db2.gz FSSKYKTUFRMICR-JKSUJKDBSA-N 1 1 389.490 4.224 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1 ZINC000185544386 822795206 /nfs/dbraw/zinc/79/52/06/822795206.db2.gz UHPSHZUJTYGMFP-KRWDZBQOSA-N 1 1 380.488 4.477 20 10 GICDMO CC1(C)OCc2cc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)ccc2O1 ZINC000186250040 822864861 /nfs/dbraw/zinc/86/48/61/822864861.db2.gz QHXOZWUBOYVMGY-HXUWFJFHSA-N 1 1 383.488 4.219 20 10 GICDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000191532435 823696487 /nfs/dbraw/zinc/69/64/87/823696487.db2.gz BKGHSFHITYHKGN-SNVBAGLBSA-N 1 1 377.803 4.094 20 10 GICDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000127130871 824023334 /nfs/dbraw/zinc/02/33/34/824023334.db2.gz CUHMSDJYQSYGPE-LJQANCHMSA-N 1 1 375.520 4.451 20 10 GICDMO CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000121238585 823145171 /nfs/dbraw/zinc/14/51/71/823145171.db2.gz VZPMJKPJVDYGAU-OAHLLOKOSA-N 1 1 375.488 4.405 20 10 GICDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000007219158 817796119 /nfs/dbraw/zinc/79/61/19/817796119.db2.gz QLZPOJMNWMMUCW-GFCCVEGCSA-N 1 1 398.309 4.166 20 10 GICDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522458 823366635 /nfs/dbraw/zinc/36/66/35/823366635.db2.gz FVBQYBJEXNLUAW-LSDHHAIUSA-N 1 1 376.447 4.222 20 10 GICDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000024808675 819879877 /nfs/dbraw/zinc/87/98/77/819879877.db2.gz MPFKNGHOXZCONN-CYBMUJFWSA-N 1 1 380.319 4.026 20 10 GICDMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123299817 823492827 /nfs/dbraw/zinc/49/28/27/823492827.db2.gz URSYLPIQHRSBLA-ROUUACIJSA-N 1 1 392.503 4.293 20 10 GICDMO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc2c(c1)OCCO2 ZINC000180633108 821376163 /nfs/dbraw/zinc/37/61/63/821376163.db2.gz WYJPEZDWVHNDBX-QGZVFWFLSA-N 1 1 375.852 4.260 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1O ZINC000181279807 821731683 /nfs/dbraw/zinc/73/16/83/821731683.db2.gz RSTPDYYMBKIQER-GFCCVEGCSA-N 1 1 388.851 4.056 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ncc(Br)s1 ZINC000179207135 822451056 /nfs/dbraw/zinc/45/10/56/822451056.db2.gz JNZMLHBONYISDE-LBPRGKRZSA-N 1 1 398.395 4.310 20 10 GICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000179642918 822518671 /nfs/dbraw/zinc/51/86/71/822518671.db2.gz CQFKTCXIYHJJTB-RXVVDRJESA-N 1 1 381.472 4.126 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1O ZINC000179768730 822548806 /nfs/dbraw/zinc/54/88/06/822548806.db2.gz ZAFLAQITWQUQKC-GFCCVEGCSA-N 1 1 386.879 4.448 20 10 GICDMO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179776575 822550667 /nfs/dbraw/zinc/55/06/67/822550667.db2.gz UZVLFIYDJMIELD-FQEVSTJZSA-N 1 1 375.520 4.099 20 10 GICDMO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000186101263 822851903 /nfs/dbraw/zinc/85/19/03/822851903.db2.gz RFLRTPKIZLTZIR-HZPDHXFCSA-N 1 1 388.483 4.238 20 10 GICDMO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000186270316 822867886 /nfs/dbraw/zinc/86/78/86/822867886.db2.gz YERHZEDDBTWIHT-CQSZACIVSA-N 1 1 377.529 4.218 20 10 GICDMO COc1ccc2ccc(O)c(C[N@H+]3CCc4c(cccc4NC(C)=O)C3)c2c1 ZINC000054571909 822896506 /nfs/dbraw/zinc/89/65/06/822896506.db2.gz STPKYVPTLGYYII-UHFFFAOYSA-N 1 1 376.456 4.071 20 10 GICDMO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000186519758 822907702 /nfs/dbraw/zinc/90/77/02/822907702.db2.gz RNWORERSTKQEJL-PGRDOPGGSA-N 1 1 390.527 4.353 20 10 GICDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000186519758 822907708 /nfs/dbraw/zinc/90/77/08/822907708.db2.gz RNWORERSTKQEJL-PGRDOPGGSA-N 1 1 390.527 4.353 20 10 GICDMO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1O ZINC000186824418 822961916 /nfs/dbraw/zinc/96/19/16/822961916.db2.gz QAMQNNFLKRKABJ-NSHDSACASA-N 1 1 383.286 4.309 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000460980305 823555065 /nfs/dbraw/zinc/55/50/65/823555065.db2.gz OAUSBKARZKVKGL-DEOSSOPVSA-N 1 1 391.559 4.199 20 10 GICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1 ZINC000060832955 823560931 /nfs/dbraw/zinc/56/09/31/823560931.db2.gz ZSCPNYMPGVZCLX-UHFFFAOYSA-N 1 1 389.547 4.321 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1Cl ZINC000163399105 823706425 /nfs/dbraw/zinc/70/64/25/823706425.db2.gz BMCJZCPBEXHVEM-ZDUSSCGKSA-N 1 1 399.844 4.441 20 10 GICDMO COc1ccc2[nH]cc(C3=CCN(c4cc(C(C)C)[nH+]c(N(C)C)n4)CC3)c2c1 ZINC000462086497 823823893 /nfs/dbraw/zinc/82/38/93/823823893.db2.gz FTZHKPBLEFYCSI-UHFFFAOYSA-N 1 1 391.519 4.450 20 10 GICDMO COc1cccc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)c1O ZINC000171046075 824046983 /nfs/dbraw/zinc/04/69/83/824046983.db2.gz GDDLSJPLHRFDLJ-UHFFFAOYSA-N 1 1 378.432 4.016 20 10 GICDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000176119924 823126737 /nfs/dbraw/zinc/12/67/37/823126737.db2.gz VMYIAZZFDSRCAZ-HHHXNRCGSA-N 1 1 383.513 4.387 20 10 GICDMO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)c(F)c1O ZINC000187871416 823150315 /nfs/dbraw/zinc/15/03/15/823150315.db2.gz ZPOADXFQAVCVGC-CQSZACIVSA-N 1 1 376.447 4.048 20 10 GICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000176496758 823221526 /nfs/dbraw/zinc/22/15/26/823221526.db2.gz ZEGUQIULSVFHCJ-QGZVFWFLSA-N 1 1 396.531 4.037 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000181313236 821751944 /nfs/dbraw/zinc/75/19/44/821751944.db2.gz YKZVIRFNTBNQJH-GFCCVEGCSA-N 1 1 388.851 4.056 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000182381241 822222573 /nfs/dbraw/zinc/22/25/73/822222573.db2.gz ZEOYEWXYJDUSPL-CQSZACIVSA-N 1 1 397.500 4.393 20 10 GICDMO c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179776562 822550625 /nfs/dbraw/zinc/55/06/25/822550625.db2.gz UZVLFIYDJMIELD-HXUWFJFHSA-N 1 1 375.520 4.099 20 10 GICDMO COc1cc(O)c(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1OC ZINC000180053331 822605051 /nfs/dbraw/zinc/60/50/51/822605051.db2.gz AQWOODSTXQXYEA-UHFFFAOYSA-N 1 1 378.472 4.315 20 10 GICDMO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668278 822821053 /nfs/dbraw/zinc/82/10/53/822821053.db2.gz FJAZVDWHHKBUKC-JTQLQIEISA-N 1 1 392.228 4.195 20 10 GICDMO CCC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000124744860 823622949 /nfs/dbraw/zinc/62/29/49/823622949.db2.gz RKZDNAZWDDOTFO-UHFFFAOYSA-N 1 1 397.538 4.409 20 10 GICDMO C[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314125 823161262 /nfs/dbraw/zinc/16/12/62/823161262.db2.gz ZCGKLRRIAHRQCH-UHFFFAOYSA-N 1 1 385.558 4.340 20 10 GICDMO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123300017 823492834 /nfs/dbraw/zinc/49/28/34/823492834.db2.gz URSYLPIQHRSBLA-QZTJIDSGSA-N 1 1 392.503 4.293 20 10 GICDMO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2F)CC1 ZINC000180817062 821477280 /nfs/dbraw/zinc/47/72/80/821477280.db2.gz QXXPBDDCMBDDLC-UHFFFAOYSA-N 1 1 396.462 4.462 20 10 GICDMO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nnn1-c1ccc(F)cc1 ZINC000177974821 822265518 /nfs/dbraw/zinc/26/55/18/822265518.db2.gz QTTUBAURPLJHFY-INIZCTEOSA-N 1 1 379.483 4.166 20 10 GICDMO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000180509675 822693806 /nfs/dbraw/zinc/69/38/06/822693806.db2.gz DEWXGPMMFABPOQ-WBVHZDCISA-N 1 1 375.490 4.051 20 10 GICDMO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542738 822699155 /nfs/dbraw/zinc/69/91/55/822699155.db2.gz KNTCXNVTZMQCJT-SFTDATJTSA-N 1 1 386.561 4.063 20 10 GICDMO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542738 822699159 /nfs/dbraw/zinc/69/91/59/822699159.db2.gz KNTCXNVTZMQCJT-SFTDATJTSA-N 1 1 386.561 4.063 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185362469 822771920 /nfs/dbraw/zinc/77/19/20/822771920.db2.gz CDAVZMKMDXDMFO-ROUUACIJSA-N 1 1 385.527 4.393 20 10 GICDMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000185593582 822800238 /nfs/dbraw/zinc/80/02/38/822800238.db2.gz DBIIBMUDDOEQMH-QRQCRPRQSA-N 1 1 399.487 4.375 20 10 GICDMO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nc(C(F)(F)F)cs1 ZINC000185957762 822837373 /nfs/dbraw/zinc/83/73/73/822837373.db2.gz SGCDPIPNVMZMFG-LBPRGKRZSA-N 1 1 376.375 4.450 20 10 GICDMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1O ZINC000186051649 822847443 /nfs/dbraw/zinc/84/74/43/822847443.db2.gz HORWMRJUHNFQPV-ZDUSSCGKSA-N 1 1 384.277 4.463 20 10 GICDMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446408 823803337 /nfs/dbraw/zinc/80/33/37/823803337.db2.gz WJXMANZMCZTQFJ-GOSISDBHSA-N 1 1 381.394 4.302 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446408 823803346 /nfs/dbraw/zinc/80/33/46/823803346.db2.gz WJXMANZMCZTQFJ-GOSISDBHSA-N 1 1 381.394 4.302 20 10 GICDMO COc1cccc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126555 823870166 /nfs/dbraw/zinc/87/01/66/823870166.db2.gz RRUDQMFEDCGEDW-QHCPKHFHSA-N 1 1 379.456 4.136 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COc1ccccc1Cl ZINC000121024814 823104712 /nfs/dbraw/zinc/10/47/12/823104712.db2.gz WJCBRFGGLRAORE-KRWDZBQOSA-N 1 1 387.863 4.081 20 10 GICDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1 ZINC000021296673 818672370 /nfs/dbraw/zinc/67/23/70/818672370.db2.gz PPAKQPGPTWZKGS-UHFFFAOYSA-N 1 1 380.517 4.181 20 10 GICDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1 ZINC000021296673 818672374 /nfs/dbraw/zinc/67/23/74/818672374.db2.gz PPAKQPGPTWZKGS-UHFFFAOYSA-N 1 1 380.517 4.181 20 10 GICDMO Oc1ccccc1C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000177675514 823511979 /nfs/dbraw/zinc/51/19/79/823511979.db2.gz QOYGRMRHYXETMW-IBGZPJMESA-N 1 1 382.435 4.368 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000177675514 823511985 /nfs/dbraw/zinc/51/19/85/823511985.db2.gz QOYGRMRHYXETMW-IBGZPJMESA-N 1 1 382.435 4.368 20 10 GICDMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417638 821815706 /nfs/dbraw/zinc/81/57/06/821815706.db2.gz SFWRZARRDCGJQT-OPXMRZJTSA-N 1 1 399.623 4.486 20 10 GICDMO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417638 821815716 /nfs/dbraw/zinc/81/57/16/821815716.db2.gz SFWRZARRDCGJQT-OPXMRZJTSA-N 1 1 399.623 4.486 20 10 GICDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972391 822263969 /nfs/dbraw/zinc/26/39/69/822263969.db2.gz HVSXNIYBJABAST-GOSISDBHSA-N 1 1 392.522 4.367 20 10 GICDMO C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1n1ccnc1 ZINC000183124594 822427552 /nfs/dbraw/zinc/42/75/52/822427552.db2.gz KFVCXXLIHXJGPE-AVRDEDQJSA-N 1 1 377.488 4.251 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000183512892 822488347 /nfs/dbraw/zinc/48/83/47/822488347.db2.gz YNTSTEKRLZNUJB-KRWDZBQOSA-N 1 1 383.517 4.160 20 10 GICDMO Oc1c(Br)cccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179800703 822555390 /nfs/dbraw/zinc/55/53/90/822555390.db2.gz RYXUFROOSYMRFU-UHFFFAOYSA-N 1 1 376.294 4.336 20 10 GICDMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000179936333 822580601 /nfs/dbraw/zinc/58/06/01/822580601.db2.gz YPSHTCSUYJGYNO-UHFFFAOYSA-N 1 1 394.446 4.219 20 10 GICDMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000179936333 822580603 /nfs/dbraw/zinc/58/06/03/822580603.db2.gz YPSHTCSUYJGYNO-UHFFFAOYSA-N 1 1 394.446 4.219 20 10 GICDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180506441 822692984 /nfs/dbraw/zinc/69/29/84/822692984.db2.gz LPAXBLHHNIHZAS-ZFWWWQNUSA-N 1 1 382.323 4.304 20 10 GICDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180506441 822692988 /nfs/dbraw/zinc/69/29/88/822692988.db2.gz LPAXBLHHNIHZAS-ZFWWWQNUSA-N 1 1 382.323 4.304 20 10 GICDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174498979 822797227 /nfs/dbraw/zinc/79/72/27/822797227.db2.gz KJBDVOGPSWMNAL-KRWDZBQOSA-N 1 1 384.524 4.078 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176345 822866220 /nfs/dbraw/zinc/86/62/20/822866220.db2.gz CZUUKCVZYKMLQA-GFCCVEGCSA-N 1 1 390.277 4.006 20 10 GICDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(N2CCOCC2)cc1 ZINC000123238212 823483287 /nfs/dbraw/zinc/48/32/87/823483287.db2.gz YYFVWEXJLSEKLP-CABCVRRESA-N 1 1 384.505 4.047 20 10 GICDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873852 823508669 /nfs/dbraw/zinc/50/86/69/823508669.db2.gz VACFMWYYSAKZHJ-QGZVFWFLSA-N 1 1 383.517 4.041 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180697038 821400558 /nfs/dbraw/zinc/40/05/58/821400558.db2.gz QAZUBXCGSRCBFH-PMACEKPBSA-N 1 1 385.504 4.278 20 10 GICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1OC ZINC000180711096 821409917 /nfs/dbraw/zinc/40/99/17/821409917.db2.gz ZUFARMPWUBUBBJ-FQEVSTJZSA-N 1 1 399.512 4.207 20 10 GICDMO COc1cccc([C@@H]([NH2+]Cc2cc(OC)ccc2O)c2cc(F)ccc2OC)c1 ZINC000182547920 822296181 /nfs/dbraw/zinc/29/61/81/822296181.db2.gz VJWIWZSSYODENM-HSZRJFAPSA-N 1 1 397.446 4.436 20 10 GICDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)n1 ZINC000183002797 822409180 /nfs/dbraw/zinc/40/91/80/822409180.db2.gz XEQBJBLGQSQNEG-IBGZPJMESA-N 1 1 379.460 4.042 20 10 GICDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643418 822518623 /nfs/dbraw/zinc/51/86/23/822518623.db2.gz RZVPRGCFGCVJLU-GOSISDBHSA-N 1 1 399.494 4.403 20 10 GICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643418 822518625 /nfs/dbraw/zinc/51/86/25/822518625.db2.gz RZVPRGCFGCVJLU-GOSISDBHSA-N 1 1 399.494 4.403 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000052466251 822800729 /nfs/dbraw/zinc/80/07/29/822800729.db2.gz SPPHLMOPRDGORY-UHFFFAOYSA-N 1 1 381.451 4.202 20 10 GICDMO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000186101244 822851660 /nfs/dbraw/zinc/85/16/60/822851660.db2.gz RFLRTPKIZLTZIR-HOTGVXAUSA-N 1 1 388.483 4.238 20 10 GICDMO Oc1ccc2cc(Br)ccc2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495171 822890706 /nfs/dbraw/zinc/89/07/06/822890706.db2.gz IVFKDWDJIJHJFO-ZDUSSCGKSA-N 1 1 376.294 4.309 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000124596722 823609607 /nfs/dbraw/zinc/60/96/07/823609607.db2.gz HKWQVYAFTDOKFH-ZCNNSNEGSA-N 1 1 381.564 4.213 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000461433113 823636289 /nfs/dbraw/zinc/63/62/89/823636289.db2.gz POOOWEFFOLBCMR-UHFFFAOYSA-N 1 1 388.515 4.319 20 10 GICDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)CC(F)(F)F)C1 ZINC000412676310 823673787 /nfs/dbraw/zinc/67/37/87/823673787.db2.gz MFPHGDMUOCKZCQ-HNNXBMFYSA-N 1 1 395.469 4.113 20 10 GICDMO Cn1c(=O)sc2cc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000192615041 824046337 /nfs/dbraw/zinc/04/63/37/824046337.db2.gz ZSJHCDSDQJTZRK-UHFFFAOYSA-N 1 1 380.469 4.101 20 10 GICDMO COc1cc(Br)cc(C[N@H+](C)Cc2nc3ccccc3s2)c1O ZINC000120783974 823063166 /nfs/dbraw/zinc/06/31/66/823063166.db2.gz ZAAPWLVEENEKNA-UHFFFAOYSA-N 1 1 393.306 4.405 20 10 GICDMO COc1cc(Br)cc(C[N@@H+](C)Cc2nc3ccccc3s2)c1O ZINC000120783974 823063171 /nfs/dbraw/zinc/06/31/71/823063171.db2.gz ZAAPWLVEENEKNA-UHFFFAOYSA-N 1 1 393.306 4.405 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121937154 823280840 /nfs/dbraw/zinc/28/08/40/823280840.db2.gz XMMXZWFRFJAYDY-GFCCVEGCSA-N 1 1 385.489 4.242 20 10 GICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238377 823483635 /nfs/dbraw/zinc/48/36/35/823483635.db2.gz YYFVWEXJLSEKLP-LSDHHAIUSA-N 1 1 384.505 4.047 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000181313220 821751923 /nfs/dbraw/zinc/75/19/23/821751923.db2.gz YKZVIRFNTBNQJH-LBPRGKRZSA-N 1 1 388.851 4.056 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000182361626 822215507 /nfs/dbraw/zinc/21/55/07/822215507.db2.gz PTBMNNYGDWCENG-ZDUSSCGKSA-N 1 1 388.464 4.426 20 10 GICDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000045780810 822413041 /nfs/dbraw/zinc/41/30/41/822413041.db2.gz JEBXHRUBGCNDEZ-SFHVURJKSA-N 1 1 381.520 4.108 20 10 GICDMO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000179420468 822479953 /nfs/dbraw/zinc/47/99/53/822479953.db2.gz IWLWKHLJAZARRL-UHFFFAOYSA-N 1 1 390.483 4.388 20 10 GICDMO COc1cc(C)c([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1OC ZINC000179626296 822515296 /nfs/dbraw/zinc/51/52/96/822515296.db2.gz FXQDBPBYNNFANA-LBPRGKRZSA-N 1 1 377.868 4.425 20 10 GICDMO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000179718167 822534246 /nfs/dbraw/zinc/53/42/46/822534246.db2.gz IZTOGGZESKQTIP-UHFFFAOYSA-N 1 1 390.483 4.388 20 10 GICDMO COc1cc(O)c(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1OC ZINC000179769560 822549027 /nfs/dbraw/zinc/54/90/27/822549027.db2.gz VXAQHVHIPYPXNZ-UHFFFAOYSA-N 1 1 382.435 4.319 20 10 GICDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939023 822581039 /nfs/dbraw/zinc/58/10/39/822581039.db2.gz HSLHMGDJLXYCMX-GOSISDBHSA-N 1 1 386.561 4.273 20 10 GICDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939023 822581042 /nfs/dbraw/zinc/58/10/42/822581042.db2.gz HSLHMGDJLXYCMX-GOSISDBHSA-N 1 1 386.561 4.273 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000048797558 822683759 /nfs/dbraw/zinc/68/37/59/822683759.db2.gz PVTDMMCTOMRGNO-UHFFFAOYSA-N 1 1 389.062 4.346 20 10 GICDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1O ZINC000185306438 822762848 /nfs/dbraw/zinc/76/28/48/822762848.db2.gz OZAOHJMFQBPMSR-JKSUJKDBSA-N 1 1 385.483 4.199 20 10 GICDMO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000174425769 822788428 /nfs/dbraw/zinc/78/84/28/822788428.db2.gz KFLNFZOCOSAAKI-UHFFFAOYSA-N 1 1 396.256 4.182 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174657179 822819253 /nfs/dbraw/zinc/81/92/53/822819253.db2.gz RIEQFXYQOZUOLB-INIZCTEOSA-N 1 1 380.492 4.442 20 10 GICDMO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nc(C(F)(F)F)cs1 ZINC000185957780 822837280 /nfs/dbraw/zinc/83/72/80/822837280.db2.gz SGCDPIPNVMZMFG-GFCCVEGCSA-N 1 1 376.375 4.450 20 10 GICDMO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)c(F)c1O ZINC000187871388 823150343 /nfs/dbraw/zinc/15/03/43/823150343.db2.gz ZPOADXFQAVCVGC-AWEZNQCLSA-N 1 1 376.447 4.048 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121936990 823280335 /nfs/dbraw/zinc/28/03/35/823280335.db2.gz XMMXZWFRFJAYDY-LBPRGKRZSA-N 1 1 385.489 4.242 20 10 GICDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238593 823483760 /nfs/dbraw/zinc/48/37/60/823483760.db2.gz YYFVWEXJLSEKLP-HUUCEWRRSA-N 1 1 384.505 4.047 20 10 GICDMO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123253589 823485951 /nfs/dbraw/zinc/48/59/51/823485951.db2.gz KBCWUNWVAFYMER-LSDHHAIUSA-N 1 1 394.475 4.016 20 10 GICDMO Oc1ccccc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000123518351 823516556 /nfs/dbraw/zinc/51/65/56/823516556.db2.gz VDNKVROWZHBCDR-FQEVSTJZSA-N 1 1 393.487 4.056 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(Br)s1 ZINC000042412553 821307365 /nfs/dbraw/zinc/30/73/65/821307365.db2.gz UDYGTLRVCOAWPE-UHFFFAOYSA-N 1 1 377.101 4.269 20 10 GICDMO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000180509621 822693790 /nfs/dbraw/zinc/69/37/90/822693790.db2.gz DEWXGPMMFABPOQ-DOTOQJQBSA-N 1 1 375.490 4.051 20 10 GICDMO CCOc1ccc(O)c(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)c1 ZINC000180523084 822695784 /nfs/dbraw/zinc/69/57/84/822695784.db2.gz VCSLGPRLAWUIEU-UHFFFAOYSA-N 1 1 377.488 4.400 20 10 GICDMO COc1ccc([C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961074 822718723 /nfs/dbraw/zinc/71/87/23/822718723.db2.gz XULIXIUMFNRPOG-HJPURHCSSA-N 1 1 391.515 4.453 20 10 GICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374738 822780242 /nfs/dbraw/zinc/78/02/42/822780242.db2.gz QVSXEJSEFHBVOS-CQSZACIVSA-N 1 1 378.419 4.233 20 10 GICDMO COc1ccc(N2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000053772404 822847500 /nfs/dbraw/zinc/84/75/00/822847500.db2.gz JFRQHYCQKGHQHJ-UHFFFAOYSA-N 1 1 398.894 4.111 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000053772404 822847502 /nfs/dbraw/zinc/84/75/02/822847502.db2.gz JFRQHYCQKGHQHJ-UHFFFAOYSA-N 1 1 398.894 4.111 20 10 GICDMO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1O ZINC000186828464 822962782 /nfs/dbraw/zinc/96/27/82/822962782.db2.gz QDOIFEMSVHEEPW-LLVKDONJSA-N 1 1 383.286 4.309 20 10 GICDMO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000164261494 823790923 /nfs/dbraw/zinc/79/09/23/823790923.db2.gz UJVXLLGBDKQLSK-UHFFFAOYSA-N 1 1 396.531 4.226 20 10 GICDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164283537 823792600 /nfs/dbraw/zinc/79/26/00/823792600.db2.gz AUYLEGGLKUPACF-UHFFFAOYSA-N 1 1 398.547 4.422 20 10 GICDMO COc1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462047 823803624 /nfs/dbraw/zinc/80/36/24/823803624.db2.gz FIZAWTADBSZOEF-AREMUKBSSA-N 1 1 375.534 4.068 20 10 GICDMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314308 823161434 /nfs/dbraw/zinc/16/14/34/823161434.db2.gz AQXVTPLBMZLAEL-UHFFFAOYSA-N 1 1 396.922 4.199 20 10 GICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676019 823264715 /nfs/dbraw/zinc/26/47/15/823264715.db2.gz SKUJVIKYEXRJHW-SFHVURJKSA-N 1 1 385.467 4.164 20 10 GICDMO Oc1ccccc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000123518614 823516669 /nfs/dbraw/zinc/51/66/69/823516669.db2.gz VDNKVROWZHBCDR-HXUWFJFHSA-N 1 1 393.487 4.056 20 10 GICDMO Cc1ccc(NCc2ccc(N(C)C)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123538334 823519087 /nfs/dbraw/zinc/51/90/87/823519087.db2.gz WQJCZEVKZKTPIU-UHFFFAOYSA-N 1 1 380.536 4.098 20 10 GICDMO Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123543160 823519464 /nfs/dbraw/zinc/51/94/64/823519464.db2.gz YXRKDYQBJSFVMB-UHFFFAOYSA-N 1 1 398.526 4.237 20 10 GICDMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181314628 821752611 /nfs/dbraw/zinc/75/26/11/821752611.db2.gz APMKRVHLKVOGSA-HNNXBMFYSA-N 1 1 398.507 4.032 20 10 GICDMO Fc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)nc1 ZINC000183374134 822465499 /nfs/dbraw/zinc/46/54/99/822465499.db2.gz PKNVDLVIDYIFMY-QHCPKHFHSA-N 1 1 395.453 4.076 20 10 GICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643403 822518721 /nfs/dbraw/zinc/51/87/21/822518721.db2.gz RZVPRGCFGCVJLU-SFHVURJKSA-N 1 1 399.494 4.403 20 10 GICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643403 822518722 /nfs/dbraw/zinc/51/87/22/822518722.db2.gz RZVPRGCFGCVJLU-SFHVURJKSA-N 1 1 399.494 4.403 20 10 GICDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180504200 822692430 /nfs/dbraw/zinc/69/24/30/822692430.db2.gz TWQBBGOUYRJJMQ-HOCLYGCPSA-N 1 1 382.323 4.304 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185362661 822771876 /nfs/dbraw/zinc/77/18/76/822771876.db2.gz ZQIWBUPFKIBJFO-QZTJIDSGSA-N 1 1 385.527 4.393 20 10 GICDMO CC[N@H+](Cc1nc(-c2ccsc2)no1)Cc1cc(Br)ccc1O ZINC000174424932 822788223 /nfs/dbraw/zinc/78/82/23/822788223.db2.gz WODRAAMCPIZMGD-UHFFFAOYSA-N 1 1 394.294 4.288 20 10 GICDMO CC[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1cc(Br)ccc1O ZINC000174424932 822788226 /nfs/dbraw/zinc/78/82/26/822788226.db2.gz WODRAAMCPIZMGD-UHFFFAOYSA-N 1 1 394.294 4.288 20 10 GICDMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000185593599 822800182 /nfs/dbraw/zinc/80/01/82/822800182.db2.gz DBIIBMUDDOEQMH-OYHNWAKOSA-N 1 1 399.487 4.375 20 10 GICDMO CCC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccccc1O ZINC000175626626 823009260 /nfs/dbraw/zinc/00/92/60/823009260.db2.gz YIVBLPHLQDUTPX-UHFFFAOYSA-N 1 1 395.528 4.191 20 10 GICDMO CCC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccccc1O ZINC000175626626 823009266 /nfs/dbraw/zinc/00/92/66/823009266.db2.gz YIVBLPHLQDUTPX-UHFFFAOYSA-N 1 1 395.528 4.191 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2C2CC2)C1 ZINC000460973539 823553613 /nfs/dbraw/zinc/55/36/13/823553613.db2.gz MXUVHFSJBCNNCF-QHCPKHFHSA-N 1 1 379.548 4.055 20 10 GICDMO Oc1c(Br)cccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124603079 823610503 /nfs/dbraw/zinc/61/05/03/823610503.db2.gz JGIJWGNWNXLCMD-GOSISDBHSA-N 1 1 376.294 4.100 20 10 GICDMO CN(C)c1ccc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1F ZINC000126824156 823960026 /nfs/dbraw/zinc/96/00/26/823960026.db2.gz HPRGRBWJMABKNO-UHFFFAOYSA-N 1 1 394.412 4.404 20 10 GICDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000127130637 824023354 /nfs/dbraw/zinc/02/33/54/824023354.db2.gz CUHMSDJYQSYGPE-IBGZPJMESA-N 1 1 375.520 4.451 20 10 GICDMO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192649115 824055589 /nfs/dbraw/zinc/05/55/89/824055589.db2.gz APZVERHHSYELMN-NSHDSACASA-N 1 1 383.275 4.247 20 10 GICDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678516 823265691 /nfs/dbraw/zinc/26/56/91/823265691.db2.gz YHVQOANVNPNQJL-QGZVFWFLSA-N 1 1 380.513 4.333 20 10 GICDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(OC)c1O ZINC000122153605 823313785 /nfs/dbraw/zinc/31/37/85/823313785.db2.gz KBEWYZWQUVSZJZ-UHFFFAOYSA-N 1 1 383.275 4.168 20 10 GICDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(OC)c1O ZINC000122153605 823313793 /nfs/dbraw/zinc/31/37/93/823313793.db2.gz KBEWYZWQUVSZJZ-UHFFFAOYSA-N 1 1 383.275 4.168 20 10 GICDMO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)c(F)c1 ZINC000015285391 818305953 /nfs/dbraw/zinc/30/59/53/818305953.db2.gz PPQYHFZTLJTRGS-UHFFFAOYSA-N 1 1 384.495 4.488 20 10 GICDMO CCC[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022015287 818763718 /nfs/dbraw/zinc/76/37/18/818763718.db2.gz HLEFKCSDEOMQEV-GOSISDBHSA-N 1 1 395.609 4.386 20 10 GICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1OC ZINC000180648691 821382283 /nfs/dbraw/zinc/38/22/83/821382283.db2.gz CLXDZEKMOWIUPV-LJQANCHMSA-N 1 1 399.512 4.207 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430307 821822877 /nfs/dbraw/zinc/82/28/77/821822877.db2.gz BIDJWIUYBLIBKM-SFHVURJKSA-N 1 1 381.394 4.302 20 10 GICDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183027399 822413851 /nfs/dbraw/zinc/41/38/51/822413851.db2.gz KFJMQCSHQNJMLJ-HXUWFJFHSA-N 1 1 396.531 4.100 20 10 GICDMO COc1ccc(O)c(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 ZINC000179576973 822506191 /nfs/dbraw/zinc/50/61/91/822506191.db2.gz FIDRTLOCPHTMRP-UHFFFAOYSA-N 1 1 396.409 4.269 20 10 GICDMO COc1ccc([C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961136 822718924 /nfs/dbraw/zinc/71/89/24/822718924.db2.gz XULIXIUMFNRPOG-WAIKUNEKSA-N 1 1 391.515 4.453 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185362451 822771981 /nfs/dbraw/zinc/77/19/81/822771981.db2.gz CDAVZMKMDXDMFO-MSOLQXFVSA-N 1 1 385.527 4.393 20 10 GICDMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000174392206 822782718 /nfs/dbraw/zinc/78/27/18/822782718.db2.gz LMZDDNMYSGUMQL-AVRDEDQJSA-N 1 1 386.584 4.080 20 10 GICDMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000185593563 822800168 /nfs/dbraw/zinc/80/01/68/822800168.db2.gz DBIIBMUDDOEQMH-NYHFZMIOSA-N 1 1 399.487 4.375 20 10 GICDMO Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000186427585 822893146 /nfs/dbraw/zinc/89/31/46/822893146.db2.gz NFMBUJQILBSTMY-MRXNPFEDSA-N 1 1 385.483 4.437 20 10 GICDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000061869015 823616995 /nfs/dbraw/zinc/61/69/95/823616995.db2.gz PDEFPQDRXXLSGQ-UHFFFAOYSA-N 1 1 394.563 4.126 20 10 GICDMO Cc1cc(Br)cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1O ZINC000188659252 823281563 /nfs/dbraw/zinc/28/15/63/823281563.db2.gz YMGZPHOREUCREE-UHFFFAOYSA-N 1 1 383.286 4.056 20 10 GICDMO CCOc1ccc(C(C)=O)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798150 823295495 /nfs/dbraw/zinc/29/54/95/823295495.db2.gz GZVCVYGLDOXYLH-NRFANRHFSA-N 1 1 383.488 4.175 20 10 GICDMO CCOc1ccc(C(C)=O)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798150 823295501 /nfs/dbraw/zinc/29/55/01/823295501.db2.gz GZVCVYGLDOXYLH-NRFANRHFSA-N 1 1 383.488 4.175 20 10 GICDMO CO[C@@H](c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1)C(C)C ZINC000572863910 823410811 /nfs/dbraw/zinc/41/08/11/823410811.db2.gz KOWNUYUCZVMZAC-OAQYLSRUSA-N 1 1 382.508 4.183 20 10 GICDMO CCC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000123238079 823483393 /nfs/dbraw/zinc/48/33/93/823483393.db2.gz JWTGPNZONTWUFD-UHFFFAOYSA-N 1 1 384.911 4.055 20 10 GICDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000123238079 823483398 /nfs/dbraw/zinc/48/33/98/823483398.db2.gz JWTGPNZONTWUFD-UHFFFAOYSA-N 1 1 384.911 4.055 20 10 GICDMO CCOc1cccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1O ZINC000123509543 823515941 /nfs/dbraw/zinc/51/59/41/823515941.db2.gz KUQBGDYEQIZSNE-UHFFFAOYSA-N 1 1 397.519 4.136 20 10 GICDMO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417599 821815524 /nfs/dbraw/zinc/81/55/24/821815524.db2.gz SFWRZARRDCGJQT-AMDXRBSFSA-N 1 1 399.623 4.486 20 10 GICDMO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417599 821815533 /nfs/dbraw/zinc/81/55/33/821815533.db2.gz SFWRZARRDCGJQT-AMDXRBSFSA-N 1 1 399.623 4.486 20 10 GICDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1OC ZINC000179626283 822515172 /nfs/dbraw/zinc/51/51/72/822515172.db2.gz FXQDBPBYNNFANA-GFCCVEGCSA-N 1 1 377.868 4.425 20 10 GICDMO COc1cc(Br)cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000180536993 822698239 /nfs/dbraw/zinc/69/82/39/822698239.db2.gz PUHIFYVAZICHCJ-UHFFFAOYSA-N 1 1 382.220 4.328 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185362508 822771952 /nfs/dbraw/zinc/77/19/52/822771952.db2.gz CDAVZMKMDXDMFO-ZWKOTPCHSA-N 1 1 385.527 4.393 20 10 GICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374722 822780229 /nfs/dbraw/zinc/78/02/29/822780229.db2.gz QVSXEJSEFHBVOS-AWEZNQCLSA-N 1 1 378.419 4.233 20 10 GICDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174498996 822797265 /nfs/dbraw/zinc/79/72/65/822797265.db2.gz KJBDVOGPSWMNAL-QGZVFWFLSA-N 1 1 384.524 4.078 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186996640 822994205 /nfs/dbraw/zinc/99/42/05/822994205.db2.gz MNJMDUWVBOPSGA-ZDUSSCGKSA-N 1 1 378.289 4.434 20 10 GICDMO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386744 818433194 /nfs/dbraw/zinc/43/31/94/818433194.db2.gz HVKOWCGDYSENKG-UHFFFAOYSA-N 1 1 383.561 4.469 20 10 GICDMO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386744 818433198 /nfs/dbraw/zinc/43/31/98/818433198.db2.gz HVKOWCGDYSENKG-UHFFFAOYSA-N 1 1 383.561 4.469 20 10 GICDMO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123299557 823492668 /nfs/dbraw/zinc/49/26/68/823492668.db2.gz URSYLPIQHRSBLA-ZWKOTPCHSA-N 1 1 392.503 4.293 20 10 GICDMO Cc1ccc(NCc2c(O)cccc2Cl)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123520512 823516752 /nfs/dbraw/zinc/51/67/52/823516752.db2.gz WAJYPHKKSBHXMH-UHFFFAOYSA-N 1 1 387.911 4.391 20 10 GICDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429959 821822787 /nfs/dbraw/zinc/82/27/87/821822787.db2.gz MPTNGURJRMSPIX-LJQANCHMSA-N 1 1 397.393 4.002 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429959 821822791 /nfs/dbraw/zinc/82/27/91/821822791.db2.gz MPTNGURJRMSPIX-LJQANCHMSA-N 1 1 397.393 4.002 20 10 GICDMO COc1cccc([C@H]([NH2+]Cc2cc(OC)ccc2O)c2cc(F)ccc2OC)c1 ZINC000182547899 822296033 /nfs/dbraw/zinc/29/60/33/822296033.db2.gz VJWIWZSSYODENM-QHCPKHFHSA-N 1 1 397.446 4.436 20 10 GICDMO Cc1cc(Br)cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1O ZINC000184443587 822636207 /nfs/dbraw/zinc/63/62/07/822636207.db2.gz XAEILAGGQSGLKC-UHFFFAOYSA-N 1 1 384.277 4.210 20 10 GICDMO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1O ZINC000185024707 822726520 /nfs/dbraw/zinc/72/65/20/822726520.db2.gz PQRQEWPECIKQNB-LBPRGKRZSA-N 1 1 383.389 4.265 20 10 GICDMO Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000185084572 822734715 /nfs/dbraw/zinc/73/47/15/822734715.db2.gz JSRHSJPEYAVHFJ-LLVKDONJSA-N 1 1 377.275 4.439 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185362640 822771947 /nfs/dbraw/zinc/77/19/47/822771947.db2.gz ZQIWBUPFKIBJFO-ROUUACIJSA-N 1 1 385.527 4.393 20 10 GICDMO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1O ZINC000186828445 822962894 /nfs/dbraw/zinc/96/28/94/822962894.db2.gz QDOIFEMSVHEEPW-NSHDSACASA-N 1 1 383.286 4.309 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1Cl ZINC000163399207 823706467 /nfs/dbraw/zinc/70/64/67/823706467.db2.gz BMCJZCPBEXHVEM-CYBMUJFWSA-N 1 1 399.844 4.441 20 10 GICDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818877 823070709 /nfs/dbraw/zinc/07/07/09/823070709.db2.gz DPJTUEMVMDFFGF-AUSIDOKSSA-N 1 1 397.538 4.150 20 10 GICDMO CCOc1ccc(C(C)=O)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798162 823295323 /nfs/dbraw/zinc/29/53/23/823295323.db2.gz GZVCVYGLDOXYLH-OAQYLSRUSA-N 1 1 383.488 4.175 20 10 GICDMO CCOc1ccc(C(C)=O)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798162 823295327 /nfs/dbraw/zinc/29/53/27/823295327.db2.gz GZVCVYGLDOXYLH-OAQYLSRUSA-N 1 1 383.488 4.175 20 10 GICDMO COc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(F)F ZINC000176798912 823295376 /nfs/dbraw/zinc/29/53/76/823295376.db2.gz BFASABSIENIZQT-QGZVFWFLSA-N 1 1 393.430 4.183 20 10 GICDMO Oc1ccccc1C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000177675530 823511897 /nfs/dbraw/zinc/51/18/97/823511897.db2.gz QOYGRMRHYXETMW-LJQANCHMSA-N 1 1 382.435 4.368 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000177675530 823511900 /nfs/dbraw/zinc/51/19/00/823511900.db2.gz QOYGRMRHYXETMW-LJQANCHMSA-N 1 1 382.435 4.368 20 10 GICDMO Cc1ccc(NCc2cc(C)c(C)cc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123525511 823517685 /nfs/dbraw/zinc/51/76/85/823517685.db2.gz REVFCJPXCCWZDY-UHFFFAOYSA-N 1 1 381.520 4.354 20 10 GICDMO Fc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)nc1 ZINC000183374156 822465561 /nfs/dbraw/zinc/46/55/61/822465561.db2.gz PKNVDLVIDYIFMY-HSZRJFAPSA-N 1 1 395.453 4.076 20 10 GICDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180504181 822692351 /nfs/dbraw/zinc/69/23/51/822692351.db2.gz TWQBBGOUYRJJMQ-GOEBONIOSA-N 1 1 382.323 4.304 20 10 GICDMO CCOc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)c1O ZINC000180522219 822695619 /nfs/dbraw/zinc/69/56/19/822695619.db2.gz FDENDFKKUROKMO-UHFFFAOYSA-N 1 1 377.488 4.400 20 10 GICDMO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185306461 822762867 /nfs/dbraw/zinc/76/28/67/822762867.db2.gz OZAOHJMFQBPMSR-HZPDHXFCSA-N 1 1 385.483 4.199 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185362488 822771851 /nfs/dbraw/zinc/77/18/51/822771851.db2.gz CDAVZMKMDXDMFO-QZTJIDSGSA-N 1 1 385.527 4.393 20 10 GICDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000174392175 822782722 /nfs/dbraw/zinc/78/27/22/822782722.db2.gz LMZDDNMYSGUMQL-XMSQKQJNSA-N 1 1 386.584 4.080 20 10 GICDMO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000186101277 822851917 /nfs/dbraw/zinc/85/19/17/822851917.db2.gz RFLRTPKIZLTZIR-JKSUJKDBSA-N 1 1 388.483 4.238 20 10 GICDMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000124284848 823583688 /nfs/dbraw/zinc/58/36/88/823583688.db2.gz TVGCBAOETFMVHE-UHFFFAOYSA-N 1 1 383.517 4.180 20 10 GICDMO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000124284848 823583692 /nfs/dbraw/zinc/58/36/92/823583692.db2.gz TVGCBAOETFMVHE-UHFFFAOYSA-N 1 1 383.517 4.180 20 10 GICDMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164329552 823796570 /nfs/dbraw/zinc/79/65/70/823796570.db2.gz LOSCWGDJXMQLIW-MRXNPFEDSA-N 1 1 390.568 4.073 20 10 GICDMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000126690465 823928239 /nfs/dbraw/zinc/92/82/39/823928239.db2.gz ZGBAFGVXGFCUHL-ROUUACIJSA-N 1 1 384.543 4.055 20 10 GICDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006976267 817732698 /nfs/dbraw/zinc/73/26/98/817732698.db2.gz RTWDSDZFAGFTDB-UHFFFAOYSA-N 1 1 394.346 4.150 20 10 GICDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006976267 817732703 /nfs/dbraw/zinc/73/27/03/817732703.db2.gz RTWDSDZFAGFTDB-UHFFFAOYSA-N 1 1 394.346 4.150 20 10 GICDMO CCn1c2ccccc2n(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=S ZINC000007317473 817817613 /nfs/dbraw/zinc/81/76/13/817817613.db2.gz AVPUPXMEZURTAG-UHFFFAOYSA-N 1 1 396.560 4.118 20 10 GICDMO CCn1c2ccccc2n(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=S ZINC000007317473 817817623 /nfs/dbraw/zinc/81/76/23/817817623.db2.gz AVPUPXMEZURTAG-UHFFFAOYSA-N 1 1 396.560 4.118 20 10 GICDMO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000021996577 818762432 /nfs/dbraw/zinc/76/24/32/818762432.db2.gz ZHLMBEHJTRIZHH-UHFFFAOYSA-N 1 1 378.472 4.296 20 10 GICDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522256 823366618 /nfs/dbraw/zinc/36/66/18/823366618.db2.gz FVBQYBJEXNLUAW-CABCVRRESA-N 1 1 376.447 4.222 20 10 GICDMO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177972279 822264076 /nfs/dbraw/zinc/26/40/76/822264076.db2.gz VYEWSMBVVWCMGV-MRXNPFEDSA-N 1 1 381.451 4.168 20 10 GICDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103302 822424904 /nfs/dbraw/zinc/42/49/04/822424904.db2.gz FLAHIQWESOPJJO-NDEPHWFRSA-N 1 1 395.524 4.341 20 10 GICDMO COc1cc(O)c(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1OC ZINC000179830745 822561887 /nfs/dbraw/zinc/56/18/87/822561887.db2.gz DAJFOLNKQVQBQM-UHFFFAOYSA-N 1 1 399.466 4.003 20 10 GICDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)ccc1O ZINC000179885365 822571639 /nfs/dbraw/zinc/57/16/39/822571639.db2.gz YDZZTIFLOXNAAQ-UHFFFAOYSA-N 1 1 384.373 4.399 20 10 GICDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939013 822580981 /nfs/dbraw/zinc/58/09/81/822580981.db2.gz HSLHMGDJLXYCMX-SFHVURJKSA-N 1 1 386.561 4.273 20 10 GICDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939013 822580987 /nfs/dbraw/zinc/58/09/87/822580987.db2.gz HSLHMGDJLXYCMX-SFHVURJKSA-N 1 1 386.561 4.273 20 10 GICDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000179946552 822583017 /nfs/dbraw/zinc/58/30/17/822583017.db2.gz QZYAHFYNPNGDCI-SFHVURJKSA-N 1 1 381.476 4.116 20 10 GICDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180000351 822593379 /nfs/dbraw/zinc/59/33/79/822593379.db2.gz WZANYLNOKHPMGO-UHFFFAOYSA-N 1 1 395.522 4.164 20 10 GICDMO CC[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cc(Br)ccc1O ZINC000174423584 822788042 /nfs/dbraw/zinc/78/80/42/822788042.db2.gz DSCGJGYALINJAO-UHFFFAOYSA-N 1 1 388.265 4.227 20 10 GICDMO CC[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cc(Br)ccc1O ZINC000174423584 822788043 /nfs/dbraw/zinc/78/80/43/822788043.db2.gz DSCGJGYALINJAO-UHFFFAOYSA-N 1 1 388.265 4.227 20 10 GICDMO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668294 822821107 /nfs/dbraw/zinc/82/11/07/822821107.db2.gz FJAZVDWHHKBUKC-SNVBAGLBSA-N 1 1 392.228 4.195 20 10 GICDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000175155387 822893673 /nfs/dbraw/zinc/89/36/73/822893673.db2.gz LUBWHLXMQGHWDG-UHFFFAOYSA-N 1 1 379.302 4.173 20 10 GICDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186480113 822901902 /nfs/dbraw/zinc/90/19/02/822901902.db2.gz RLNOJJPUPSMRQM-UHFFFAOYSA-N 1 1 385.529 4.069 20 10 GICDMO COc1cccc([C@H]2C[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126695 823870070 /nfs/dbraw/zinc/87/00/70/823870070.db2.gz RRUDQMFEDCGEDW-HSZRJFAPSA-N 1 1 379.456 4.136 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1Cl ZINC000121024975 823104680 /nfs/dbraw/zinc/10/46/80/823104680.db2.gz WJCBRFGGLRAORE-QGZVFWFLSA-N 1 1 387.863 4.081 20 10 GICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000121295113 823157192 /nfs/dbraw/zinc/15/71/92/823157192.db2.gz DXNVEVQSUWBECJ-UHFFFAOYSA-N 1 1 391.490 4.356 20 10 GICDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000177156267 823385731 /nfs/dbraw/zinc/38/57/31/823385731.db2.gz JZBBHBUZUFCXLE-FQEVSTJZSA-N 1 1 383.419 4.063 20 10 GICDMO COc1ccc(-n2ccn(C[N@H+](C)Cc3ccc(N(C)C)cc3)c2=S)cc1 ZINC000024980543 819903600 /nfs/dbraw/zinc/90/36/00/819903600.db2.gz BHBMFHPRXIHZDG-UHFFFAOYSA-N 1 1 382.533 4.172 20 10 GICDMO COc1ccc(-n2ccn(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c2=S)cc1 ZINC000024980543 819903607 /nfs/dbraw/zinc/90/36/07/819903607.db2.gz BHBMFHPRXIHZDG-UHFFFAOYSA-N 1 1 382.533 4.172 20 10 GICDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123252983 823485596 /nfs/dbraw/zinc/48/55/96/823485596.db2.gz KBCWUNWVAFYMER-CABCVRRESA-N 1 1 394.475 4.016 20 10 GICDMO CCOc1ccc(O)c(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC000123519805 823516740 /nfs/dbraw/zinc/51/67/40/823516740.db2.gz FVRLNROOXBFZRV-UHFFFAOYSA-N 1 1 397.519 4.136 20 10 GICDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183117409 822426643 /nfs/dbraw/zinc/42/66/43/822426643.db2.gz UPOIZICNUJKTQH-NRFANRHFSA-N 1 1 377.488 4.214 20 10 GICDMO CCOCc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC ZINC000179569986 822505254 /nfs/dbraw/zinc/50/52/54/822505254.db2.gz ASAXSZIFXYFCIM-OAQYLSRUSA-N 1 1 385.504 4.119 20 10 GICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000179642932 822518609 /nfs/dbraw/zinc/51/86/09/822518609.db2.gz CQFKTCXIYHJJTB-NQIIRXRSSA-N 1 1 381.472 4.126 20 10 GICDMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000174392185 822782768 /nfs/dbraw/zinc/78/27/68/822782768.db2.gz LMZDDNMYSGUMQL-PGRDOPGGSA-N 1 1 386.584 4.080 20 10 GICDMO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000186519777 822907740 /nfs/dbraw/zinc/90/77/40/822907740.db2.gz RNWORERSTKQEJL-XMSQKQJNSA-N 1 1 390.527 4.353 20 10 GICDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000186519777 822907744 /nfs/dbraw/zinc/90/77/44/822907744.db2.gz RNWORERSTKQEJL-XMSQKQJNSA-N 1 1 390.527 4.353 20 10 GICDMO CC(C)(C)c1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847809 822918061 /nfs/dbraw/zinc/91/80/61/822918061.db2.gz OBQDINWTUUUNPG-GOSISDBHSA-N 1 1 393.593 4.139 20 10 GICDMO CC(C)(C)c1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847809 822918063 /nfs/dbraw/zinc/91/80/63/822918063.db2.gz OBQDINWTUUUNPG-GOSISDBHSA-N 1 1 393.593 4.139 20 10 GICDMO COc1ccc(N2CCC([NH2+][C@H](C)c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000124369557 823590782 /nfs/dbraw/zinc/59/07/82/823590782.db2.gz DMRBJZNYBNCWGQ-MRXNPFEDSA-N 1 1 378.476 4.065 20 10 GICDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000126690695 823928306 /nfs/dbraw/zinc/92/83/06/823928306.db2.gz ZGBAFGVXGFCUHL-MSOLQXFVSA-N 1 1 384.543 4.055 20 10 GICDMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)c(C)cc1O ZINC000192476297 824005900 /nfs/dbraw/zinc/00/59/00/824005900.db2.gz CCIUEAYZULYYRS-UHFFFAOYSA-N 1 1 380.410 4.488 20 10 GICDMO COc1ccc2ccc(O)c(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000007076537 817754243 /nfs/dbraw/zinc/75/42/43/817754243.db2.gz ZGCNAZQXZNKIJC-UHFFFAOYSA-N 1 1 379.456 4.130 20 10 GICDMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000007250737 817804453 /nfs/dbraw/zinc/80/44/53/817804453.db2.gz YJWABPKQTLMVGN-UHFFFAOYSA-N 1 1 379.426 4.232 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235472 823406333 /nfs/dbraw/zinc/40/63/33/823406333.db2.gz VPVHXDRJAHVIRY-ZDUSSCGKSA-N 1 1 384.867 4.022 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235490 823406420 /nfs/dbraw/zinc/40/64/20/823406420.db2.gz VPVHXDRJAHVIRY-CYBMUJFWSA-N 1 1 384.867 4.022 20 10 GICDMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000026615995 820121333 /nfs/dbraw/zinc/12/13/33/820121333.db2.gz GHXQTEAZUHCSRM-UHFFFAOYSA-N 1 1 378.447 4.033 20 10 GICDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123253167 823485909 /nfs/dbraw/zinc/48/59/09/823485909.db2.gz KBCWUNWVAFYMER-GJZGRUSLSA-N 1 1 394.475 4.016 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1O ZINC000181279790 821731692 /nfs/dbraw/zinc/73/16/92/821731692.db2.gz RSTPDYYMBKIQER-LBPRGKRZSA-N 1 1 388.851 4.056 20 10 GICDMO CCC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1O ZINC000182203341 822145308 /nfs/dbraw/zinc/14/53/08/822145308.db2.gz HYXBHDYXIMYBFE-UHFFFAOYSA-N 1 1 380.444 4.246 20 10 GICDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180504233 822692438 /nfs/dbraw/zinc/69/24/38/822692438.db2.gz TWQBBGOUYRJJMQ-ZBFHGGJFSA-N 1 1 382.323 4.304 20 10 GICDMO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1 ZINC000174450219 822791232 /nfs/dbraw/zinc/79/12/32/822791232.db2.gz DKLVPLHFMQDORU-UHFFFAOYSA-N 1 1 380.488 4.306 20 10 GICDMO CO[C@@](C)(c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1)C1CC1 ZINC000570251288 823019319 /nfs/dbraw/zinc/01/93/19/823019319.db2.gz NFKNBFLRSGRTBR-HSZRJFAPSA-N 1 1 394.519 4.111 20 10 GICDMO Cc1ccc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)o1 ZINC000570435587 823038133 /nfs/dbraw/zinc/03/81/33/823038133.db2.gz MLVCYCKZPDXYTL-UHFFFAOYSA-N 1 1 376.460 4.408 20 10 GICDMO COc1ccc(N2CCC([NH2+][C@@H](C)c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000124369342 823590756 /nfs/dbraw/zinc/59/07/56/823590756.db2.gz DMRBJZNYBNCWGQ-INIZCTEOSA-N 1 1 378.476 4.065 20 10 GICDMO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123253397 823485872 /nfs/dbraw/zinc/48/58/72/823485872.db2.gz KBCWUNWVAFYMER-HUUCEWRRSA-N 1 1 394.475 4.016 20 10 GICDMO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000123614434 823525905 /nfs/dbraw/zinc/52/59/05/823525905.db2.gz AFKIYCUUECOOMI-QGZVFWFLSA-N 1 1 387.955 4.089 20 10 GICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1OC ZINC000180648671 821382304 /nfs/dbraw/zinc/38/23/04/821382304.db2.gz CLXDZEKMOWIUPV-IBGZPJMESA-N 1 1 399.512 4.207 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000182337585 822207206 /nfs/dbraw/zinc/20/72/06/822207206.db2.gz BGCLTPYXVKEXCD-LLVKDONJSA-N 1 1 393.365 4.320 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000182361163 822215417 /nfs/dbraw/zinc/21/54/17/822215417.db2.gz ICNCWXOJRWGVQM-LLVKDONJSA-N 1 1 393.365 4.320 20 10 GICDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nnn1-c1ccc(F)cc1 ZINC000177974803 822265158 /nfs/dbraw/zinc/26/51/58/822265158.db2.gz QTTUBAURPLJHFY-MRXNPFEDSA-N 1 1 379.483 4.166 20 10 GICDMO CC(C)(C)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000178070653 822308669 /nfs/dbraw/zinc/30/86/69/822308669.db2.gz HPGDTRVJRPRPGZ-QGZVFWFLSA-N 1 1 381.511 4.109 20 10 GICDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000045780806 822413115 /nfs/dbraw/zinc/41/31/15/822413115.db2.gz JEBXHRUBGCNDEZ-GOSISDBHSA-N 1 1 381.520 4.108 20 10 GICDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513543 822488299 /nfs/dbraw/zinc/48/82/99/822488299.db2.gz WSLIKFHPYTUCBW-GOSISDBHSA-N 1 1 383.517 4.035 20 10 GICDMO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025265 822599691 /nfs/dbraw/zinc/59/96/91/822599691.db2.gz YVZILAIAHUBYPW-KRWDZBQOSA-N 1 1 395.459 4.187 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025265 822599693 /nfs/dbraw/zinc/59/96/93/822599693.db2.gz YVZILAIAHUBYPW-KRWDZBQOSA-N 1 1 395.459 4.187 20 10 GICDMO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542593 822699103 /nfs/dbraw/zinc/69/91/03/822699103.db2.gz KNTCXNVTZMQCJT-NHCUHLMSSA-N 1 1 386.561 4.063 20 10 GICDMO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542593 822699104 /nfs/dbraw/zinc/69/91/04/822699104.db2.gz KNTCXNVTZMQCJT-NHCUHLMSSA-N 1 1 386.561 4.063 20 10 GICDMO COc1ccc([C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961094 822718775 /nfs/dbraw/zinc/71/87/75/822718775.db2.gz XULIXIUMFNRPOG-MWTRTKDXSA-N 1 1 391.515 4.453 20 10 GICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000174372452 822779933 /nfs/dbraw/zinc/77/99/33/822779933.db2.gz KOVSUMHTIHYQOQ-AWEZNQCLSA-N 1 1 391.309 4.394 20 10 GICDMO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000174423895 822788091 /nfs/dbraw/zinc/78/80/91/822788091.db2.gz BFZCMSKEIDMIJC-UHFFFAOYSA-N 1 1 387.277 4.018 20 10 GICDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186520351 822907718 /nfs/dbraw/zinc/90/77/18/822907718.db2.gz QFFQAHJTIIZTQK-BBRMVZONSA-N 1 1 395.330 4.116 20 10 GICDMO Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1O ZINC000574836078 823837988 /nfs/dbraw/zinc/83/79/88/823837988.db2.gz JETRKNDHKWKRFF-UHFFFAOYSA-N 1 1 377.488 4.061 20 10 GICDMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818478 823070667 /nfs/dbraw/zinc/07/06/67/823070667.db2.gz DPJTUEMVMDFFGF-CVDCTZTESA-N 1 1 397.538 4.150 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2scnc2C2CC2)C1 ZINC000571723395 823225201 /nfs/dbraw/zinc/22/52/01/823225201.db2.gz TZTFMZOQUHLRLZ-UHFFFAOYSA-N 1 1 394.544 4.380 20 10 GICDMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3O)[C@H](C)c3ccccc3)nc12 ZINC000176694419 823269514 /nfs/dbraw/zinc/26/95/14/823269514.db2.gz CMCRMZXSDXDZDT-LJQANCHMSA-N 1 1 399.494 4.472 20 10 GICDMO C[N@H+](Cc1csc(-c2cccs2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571751 818340496 /nfs/dbraw/zinc/34/04/96/818340496.db2.gz HXMJUULNCIWCME-UHFFFAOYSA-N 1 1 385.558 4.340 20 10 GICDMO C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571751 818340503 /nfs/dbraw/zinc/34/05/03/818340503.db2.gz HXMJUULNCIWCME-UHFFFAOYSA-N 1 1 385.558 4.340 20 10 GICDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180670739 821389577 /nfs/dbraw/zinc/38/95/77/821389577.db2.gz QPDBHYQCAYPIJC-VQHVLOKHSA-N 1 1 377.444 4.118 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180696886 821400212 /nfs/dbraw/zinc/40/02/12/821400212.db2.gz QAZUBXCGSRCBFH-UXHICEINSA-N 1 1 385.504 4.278 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180696583 821400219 /nfs/dbraw/zinc/40/02/19/821400219.db2.gz JLRCKHFFCABUOQ-WMZOPIPTSA-N 1 1 391.533 4.339 20 10 GICDMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181314648 821752838 /nfs/dbraw/zinc/75/28/38/821752838.db2.gz APMKRVHLKVOGSA-OAHLLOKOSA-N 1 1 398.507 4.032 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430327 821822972 /nfs/dbraw/zinc/82/29/72/821822972.db2.gz BIDJWIUYBLIBKM-GOSISDBHSA-N 1 1 381.394 4.302 20 10 GICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000182337561 822207174 /nfs/dbraw/zinc/20/71/74/822207174.db2.gz BGCLTPYXVKEXCD-NSHDSACASA-N 1 1 393.365 4.320 20 10 GICDMO CCOc1ccc(O)c(C[N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000179605812 822511602 /nfs/dbraw/zinc/51/16/02/822511602.db2.gz KPIXZUQNEDYCBD-UHFFFAOYSA-N 1 1 396.409 4.270 20 10 GICDMO CCOc1ccc(O)c(C[N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000179605812 822511605 /nfs/dbraw/zinc/51/16/05/822511605.db2.gz KPIXZUQNEDYCBD-UHFFFAOYSA-N 1 1 396.409 4.270 20 10 GICDMO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000180509655 822693776 /nfs/dbraw/zinc/69/37/76/822693776.db2.gz DEWXGPMMFABPOQ-NVXWUHKLSA-N 1 1 375.490 4.051 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1O ZINC000185060544 822730860 /nfs/dbraw/zinc/73/08/60/822730860.db2.gz ZDAQZCDXIOGKSJ-CYBMUJFWSA-N 1 1 398.400 4.238 20 10 GICDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)cc1 ZINC000054443179 822886469 /nfs/dbraw/zinc/88/64/69/822886469.db2.gz NOUVBJSVMQPTKZ-UHFFFAOYSA-N 1 1 378.472 4.009 20 10 GICDMO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1O ZINC000186824435 822961995 /nfs/dbraw/zinc/96/19/95/822961995.db2.gz QAMQNNFLKRKABJ-LLVKDONJSA-N 1 1 383.286 4.309 20 10 GICDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175647754 823012567 /nfs/dbraw/zinc/01/25/67/823012567.db2.gz XRBCDRZZHLMHBA-DENIHFKCSA-N 1 1 395.547 4.367 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000124738806 823622420 /nfs/dbraw/zinc/62/24/20/823622420.db2.gz LBLAVKQOWPBSDA-UHFFFAOYSA-N 1 1 398.247 4.228 20 10 GICDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000126691182 823928114 /nfs/dbraw/zinc/92/81/14/823928114.db2.gz ZGBAFGVXGFCUHL-QZTJIDSGSA-N 1 1 384.543 4.055 20 10 GICDMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818740 823070588 /nfs/dbraw/zinc/07/05/88/823070588.db2.gz DPJTUEMVMDFFGF-WMZHIEFXSA-N 1 1 397.538 4.150 20 10 GICDMO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000120819610 823070960 /nfs/dbraw/zinc/07/09/60/823070960.db2.gz LYLZMGWLSFHUHG-UHFFFAOYSA-N 1 1 389.293 4.005 20 10 GICDMO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057625775 823316336 /nfs/dbraw/zinc/31/63/36/823316336.db2.gz LGRCVUIQQSCXCF-UHFFFAOYSA-N 1 1 379.548 4.157 20 10 GICDMO [O-]c1ccc(Cl)cc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984828 823342389 /nfs/dbraw/zinc/34/23/89/823342389.db2.gz OSYVDIWWLGKXLD-UHFFFAOYSA-N 1 1 388.939 4.207 20 10 GICDMO CO[C@H](c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1)C(C)C ZINC000572863909 823410863 /nfs/dbraw/zinc/41/08/63/823410863.db2.gz KOWNUYUCZVMZAC-NRFANRHFSA-N 1 1 382.508 4.183 20 10 GICDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1)CC(F)(F)F ZINC000177637610 823505773 /nfs/dbraw/zinc/50/57/73/823505773.db2.gz XPEKYFXSBGRYFT-AWEZNQCLSA-N 1 1 388.474 4.101 20 10 GICDMO CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc2c(c1)OCCO2 ZINC000180633089 821376244 /nfs/dbraw/zinc/37/62/44/821376244.db2.gz WYJPEZDWVHNDBX-KRWDZBQOSA-N 1 1 375.852 4.260 20 10 GICDMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775642 821449062 /nfs/dbraw/zinc/44/90/62/821449062.db2.gz GDXUNMIBMKRGKZ-SFHVURJKSA-N 1 1 381.394 4.383 20 10 GICDMO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775642 821449065 /nfs/dbraw/zinc/44/90/65/821449065.db2.gz GDXUNMIBMKRGKZ-SFHVURJKSA-N 1 1 381.394 4.383 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1O ZINC000181363324 821788307 /nfs/dbraw/zinc/78/83/07/821788307.db2.gz WKHBOXKYVFDCBN-ZDUSSCGKSA-N 1 1 386.879 4.226 20 10 GICDMO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c(-c2ccc(C#N)cc2)n1 ZINC000183244350 822447570 /nfs/dbraw/zinc/44/75/70/822447570.db2.gz GSFSEIFYOUWPCB-UHFFFAOYSA-N 1 1 398.466 4.460 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1O ZINC000179768716 822548641 /nfs/dbraw/zinc/54/86/41/822548641.db2.gz ZAFLAQITWQUQKC-LBPRGKRZSA-N 1 1 386.879 4.448 20 10 GICDMO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cc1O ZINC000185447230 822785233 /nfs/dbraw/zinc/78/52/33/822785233.db2.gz NMOYWIBVOUUUAI-HNNXBMFYSA-N 1 1 394.450 4.099 20 10 GICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1 ZINC000185544407 822795144 /nfs/dbraw/zinc/79/51/44/822795144.db2.gz UHPSHZUJTYGMFP-QGZVFWFLSA-N 1 1 380.488 4.477 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174646843 822817142 /nfs/dbraw/zinc/81/71/42/822817142.db2.gz ORYOYRWMNYTYGN-UHFFFAOYSA-N 1 1 380.257 4.089 20 10 GICDMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1O ZINC000186048765 822847132 /nfs/dbraw/zinc/84/71/32/822847132.db2.gz SSPCCDYAEAFMMV-ZDUSSCGKSA-N 1 1 384.277 4.463 20 10 GICDMO COc1ccc(O)c([C@H](C)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC000186427612 822893107 /nfs/dbraw/zinc/89/31/07/822893107.db2.gz JMXYPDDMAGDTKS-KRWDZBQOSA-N 1 1 397.519 4.307 20 10 GICDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186520369 822907857 /nfs/dbraw/zinc/90/78/57/822907857.db2.gz QFFQAHJTIIZTQK-CJNGLKHVSA-N 1 1 395.330 4.116 20 10 GICDMO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000175239497 822911763 /nfs/dbraw/zinc/91/17/63/822911763.db2.gz JSPAGOXBVMHVAJ-UHFFFAOYSA-N 1 1 388.511 4.213 20 10 GICDMO CN1c2ccc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cc2CCC1=O ZINC000186749575 822949335 /nfs/dbraw/zinc/94/93/35/822949335.db2.gz CNWHPQYOPOOXOP-UHFFFAOYSA-N 1 1 377.532 4.218 20 10 GICDMO COc1ccc2nc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)sc2c1 ZINC000187243881 823029723 /nfs/dbraw/zinc/02/97/23/823029723.db2.gz BYOORCSEASOGQY-KRWDZBQOSA-N 1 1 384.501 4.192 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000164258206 823790458 /nfs/dbraw/zinc/79/04/58/823790458.db2.gz MRSNOLUQFGNSTC-INIZCTEOSA-N 1 1 397.450 4.278 20 10 GICDMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3O)[C@@H](C)c3ccccc3)nc12 ZINC000176694400 823269582 /nfs/dbraw/zinc/26/95/82/823269582.db2.gz CMCRMZXSDXDZDT-IBGZPJMESA-N 1 1 399.494 4.472 20 10 GICDMO CCN(C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636683 823505506 /nfs/dbraw/zinc/50/55/06/823505506.db2.gz YXEHRXQCMJMXHR-HNNXBMFYSA-N 1 1 396.453 4.260 20 10 GICDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1)CC(F)(F)F ZINC000177637624 823505624 /nfs/dbraw/zinc/50/56/24/823505624.db2.gz XPEKYFXSBGRYFT-CQSZACIVSA-N 1 1 388.474 4.101 20 10 GICDMO CC(C)(C)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000178070666 822308774 /nfs/dbraw/zinc/30/87/74/822308774.db2.gz HPGDTRVJRPRPGZ-KRWDZBQOSA-N 1 1 381.511 4.109 20 10 GICDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000045780165 822412871 /nfs/dbraw/zinc/41/28/71/822412871.db2.gz WGGHFQWBKXOLFY-SFHVURJKSA-N 1 1 381.520 4.108 20 10 GICDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183027379 822413899 /nfs/dbraw/zinc/41/38/99/822413899.db2.gz KFJMQCSHQNJMLJ-FQEVSTJZSA-N 1 1 396.531 4.100 20 10 GICDMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000178850997 822416243 /nfs/dbraw/zinc/41/62/43/822416243.db2.gz VNXJLWWHIOZYSQ-UHFFFAOYSA-N 1 1 376.456 4.080 20 10 GICDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183117387 822426680 /nfs/dbraw/zinc/42/66/80/822426680.db2.gz UPOIZICNUJKTQH-OAQYLSRUSA-N 1 1 377.488 4.214 20 10 GICDMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180002055 822593615 /nfs/dbraw/zinc/59/36/15/822593615.db2.gz XSYMBMNSDMHVBG-UHFFFAOYSA-N 1 1 395.522 4.164 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(Br)ccc1F ZINC000048797698 822683723 /nfs/dbraw/zinc/68/37/23/822683723.db2.gz BZDSQRHNBJSTNJ-UHFFFAOYSA-N 1 1 389.062 4.346 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180508561 822693474 /nfs/dbraw/zinc/69/34/74/822693474.db2.gz CMFNYVPRVIQZLU-QFIPXVFZSA-N 1 1 384.474 4.424 20 10 GICDMO C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000185573485 822798033 /nfs/dbraw/zinc/79/80/33/822798033.db2.gz PDQKPKWSYWIPJM-LJQANCHMSA-N 1 1 381.564 4.146 20 10 GICDMO C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000185573465 822798053 /nfs/dbraw/zinc/79/80/53/822798053.db2.gz PDQKPKWSYWIPJM-IBGZPJMESA-N 1 1 381.564 4.146 20 10 GICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1O ZINC000186051669 822847511 /nfs/dbraw/zinc/84/75/11/822847511.db2.gz HORWMRJUHNFQPV-CYBMUJFWSA-N 1 1 384.277 4.463 20 10 GICDMO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192649131 824055812 /nfs/dbraw/zinc/05/58/12/824055812.db2.gz APZVERHHSYELMN-LLVKDONJSA-N 1 1 383.275 4.247 20 10 GICDMO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000121238411 823145221 /nfs/dbraw/zinc/14/52/21/823145221.db2.gz VZPMJKPJVDYGAU-HNNXBMFYSA-N 1 1 375.488 4.405 20 10 GICDMO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286106 823275800 /nfs/dbraw/zinc/27/58/00/823275800.db2.gz OBQYVZUORYAHPA-UHFFFAOYSA-N 1 1 395.547 4.498 20 10 GICDMO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571983 818340617 /nfs/dbraw/zinc/34/06/17/818340617.db2.gz APUCPWMBHGEVIS-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571983 818340621 /nfs/dbraw/zinc/34/06/21/818340621.db2.gz APUCPWMBHGEVIS-UHFFFAOYSA-N 1 1 379.529 4.279 20 10 GICDMO CCN(C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636699 823505553 /nfs/dbraw/zinc/50/55/53/823505553.db2.gz YXEHRXQCMJMXHR-OAHLLOKOSA-N 1 1 396.453 4.260 20 10 GICDMO Fc1cc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)ccc1N1CCOCC1 ZINC000180799083 821464592 /nfs/dbraw/zinc/46/45/92/821464592.db2.gz RMZCKMXBFUPWIQ-UHFFFAOYSA-N 1 1 382.435 4.337 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2c1[O-] ZINC000185372281 822773816 /nfs/dbraw/zinc/77/38/16/822773816.db2.gz MTPGDMMNFMNXCO-SFHVURJKSA-N 1 1 390.527 4.353 20 10 GICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1Br ZINC000174372465 822779826 /nfs/dbraw/zinc/77/98/26/822779826.db2.gz KOVSUMHTIHYQOQ-CQSZACIVSA-N 1 1 391.309 4.394 20 10 GICDMO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000186270332 822867894 /nfs/dbraw/zinc/86/78/94/822867894.db2.gz YERHZEDDBTWIHT-AWEZNQCLSA-N 1 1 377.529 4.218 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c(O)cccc2Cl)C1 ZINC000569940929 822988131 /nfs/dbraw/zinc/98/81/31/822988131.db2.gz OHEJOEPZJCAYSP-UHFFFAOYSA-N 1 1 397.906 4.406 20 10 GICDMO COc1ccc(N2CCC[N@@H+](CCCC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000177908461 823544971 /nfs/dbraw/zinc/54/49/71/823544971.db2.gz AUORHMZEDCYMIE-UHFFFAOYSA-N 1 1 395.547 4.243 20 10 GICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124200639 823576879 /nfs/dbraw/zinc/57/68/79/823576879.db2.gz ABRJKQKIUROERI-HXUWFJFHSA-N 1 1 381.568 4.230 20 10 GICDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000124597155 823609790 /nfs/dbraw/zinc/60/97/90/823609790.db2.gz HKWQVYAFTDOKFH-AQNXPRMDSA-N 1 1 381.564 4.213 20 10 GICDMO CCC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170639092 823923746 /nfs/dbraw/zinc/92/37/46/823923746.db2.gz FQUWXGINFIGWIF-UHFFFAOYSA-N 1 1 392.543 4.398 20 10 GICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679276 823265723 /nfs/dbraw/zinc/26/57/23/823265723.db2.gz NOPHOWYXGOUCEB-INIZCTEOSA-N 1 1 391.496 4.225 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(SC(=O)N(C)C)c3)CC2)cc1 ZINC000176883079 823316769 /nfs/dbraw/zinc/31/67/69/823316769.db2.gz OQPWKKXQPKQGAS-UHFFFAOYSA-N 1 1 399.560 4.181 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180696559 821400141 /nfs/dbraw/zinc/40/01/41/821400141.db2.gz JLRCKHFFCABUOQ-AEFFLSMTSA-N 1 1 391.533 4.339 20 10 GICDMO Cc1nc(C(F)(F)F)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000183611607 822501261 /nfs/dbraw/zinc/50/12/61/822501261.db2.gz BISNNMQDNZNDQA-AWEZNQCLSA-N 1 1 386.439 4.357 20 10 GICDMO CCC[N@@H+](Cc1cc(OC)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179789488 822553521 /nfs/dbraw/zinc/55/35/21/822553521.db2.gz VOPXYTDXXQKUSZ-UHFFFAOYSA-N 1 1 378.513 4.012 20 10 GICDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000179946571 822583071 /nfs/dbraw/zinc/58/30/71/822583071.db2.gz QZYAHFYNPNGDCI-GOSISDBHSA-N 1 1 381.476 4.116 20 10 GICDMO OCC1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180214969 822640840 /nfs/dbraw/zinc/64/08/40/822640840.db2.gz KHIUBRQRDKOJHM-RUZDIDTESA-N 1 1 387.527 4.170 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(F)cc1O ZINC000185074440 822733194 /nfs/dbraw/zinc/73/31/94/822733194.db2.gz GBDDPKSSKAHPBH-MRXNPFEDSA-N 1 1 382.435 4.235 20 10 GICDMO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185306421 822762836 /nfs/dbraw/zinc/76/28/36/822762836.db2.gz OZAOHJMFQBPMSR-CVEARBPZSA-N 1 1 385.483 4.199 20 10 GICDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174744262 822831505 /nfs/dbraw/zinc/83/15/05/822831505.db2.gz OWKQVYXNAZCXDJ-IBGZPJMESA-N 1 1 387.568 4.357 20 10 GICDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174744248 822831513 /nfs/dbraw/zinc/83/15/13/822831513.db2.gz OWKQVYXNAZCXDJ-LJQANCHMSA-N 1 1 387.568 4.357 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000175113177 822884591 /nfs/dbraw/zinc/88/45/91/822884591.db2.gz GJPYCLUAWYOPTI-UHFFFAOYSA-N 1 1 381.451 4.202 20 10 GICDMO Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000186427575 822893137 /nfs/dbraw/zinc/89/31/37/822893137.db2.gz NFMBUJQILBSTMY-INIZCTEOSA-N 1 1 385.483 4.437 20 10 GICDMO CO[C@](C)(c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1)C1CC1 ZINC000570251289 823019436 /nfs/dbraw/zinc/01/94/36/823019436.db2.gz NFKNBFLRSGRTBR-QHCPKHFHSA-N 1 1 394.519 4.111 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2C2CC2)C1 ZINC000460973538 823553695 /nfs/dbraw/zinc/55/36/95/823553695.db2.gz MXUVHFSJBCNNCF-HSZRJFAPSA-N 1 1 379.548 4.055 20 10 GICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1 ZINC000460980310 823555184 /nfs/dbraw/zinc/55/51/84/823555184.db2.gz OAUSBKARZKVKGL-XMMPIXPASA-N 1 1 391.559 4.199 20 10 GICDMO CCN(CC)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187519773 823079957 /nfs/dbraw/zinc/07/99/57/823079957.db2.gz VGKOYAGHTMZJMO-QFIPXVFZSA-N 1 1 384.474 4.424 20 10 GICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000176496773 823221426 /nfs/dbraw/zinc/22/14/26/823221426.db2.gz ZEGUQIULSVFHCJ-KRWDZBQOSA-N 1 1 396.531 4.037 20 10 GICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000122308916 823335735 /nfs/dbraw/zinc/33/57/35/823335735.db2.gz VYJDVKYLKMJTBS-UHFFFAOYSA-N 1 1 394.437 4.096 20 10 GICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1O ZINC000181419562 821816948 /nfs/dbraw/zinc/81/69/48/821816948.db2.gz JNJNFLYNDUTUQP-CYBMUJFWSA-N 1 1 386.879 4.226 20 10 GICDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972371 822264228 /nfs/dbraw/zinc/26/42/28/822264228.db2.gz HVSXNIYBJABAST-SFHVURJKSA-N 1 1 392.522 4.367 20 10 GICDMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(OCC)c1O ZINC000179610597 822512404 /nfs/dbraw/zinc/51/24/04/822512404.db2.gz WIVMCVKHMCVICI-UHFFFAOYSA-N 1 1 396.409 4.059 20 10 GICDMO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542611 822699169 /nfs/dbraw/zinc/69/91/69/822699169.db2.gz KNTCXNVTZMQCJT-RTWAWAEBSA-N 1 1 386.561 4.063 20 10 GICDMO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542611 822699171 /nfs/dbraw/zinc/69/91/71/822699171.db2.gz KNTCXNVTZMQCJT-RTWAWAEBSA-N 1 1 386.561 4.063 20 10 GICDMO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2c1[O-] ZINC000185372299 822773811 /nfs/dbraw/zinc/77/38/11/822773811.db2.gz MTPGDMMNFMNXCO-GOSISDBHSA-N 1 1 390.527 4.353 20 10 GICDMO Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000186427727 822893398 /nfs/dbraw/zinc/89/33/98/822893398.db2.gz HGORCMSRAFQRKX-INIZCTEOSA-N 1 1 385.483 4.437 20 10 GICDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175462565 822975038 /nfs/dbraw/zinc/97/50/38/822975038.db2.gz LSCQIHMHPURLFH-UHFFFAOYSA-N 1 1 384.524 4.222 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1O ZINC000164204486 823786061 /nfs/dbraw/zinc/78/60/61/823786061.db2.gz TYTLROMMHYRVHZ-GOSISDBHSA-N 1 1 392.293 4.045 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000164258328 823790348 /nfs/dbraw/zinc/79/03/48/823790348.db2.gz MRSNOLUQFGNSTC-MRXNPFEDSA-N 1 1 397.450 4.278 20 10 GICDMO CCC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1O ZINC000170779303 823969613 /nfs/dbraw/zinc/96/96/13/823969613.db2.gz YQMFLBNMRVVEHF-UHFFFAOYSA-N 1 1 392.253 4.210 20 10 GICDMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(N2CCCCC2)cc1 ZINC000056491472 823159245 /nfs/dbraw/zinc/15/92/45/823159245.db2.gz VMVNXRONHWCAQN-UHFFFAOYSA-N 1 1 397.588 4.145 20 10 GICDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000177156284 823385702 /nfs/dbraw/zinc/38/57/02/823385702.db2.gz JZBBHBUZUFCXLE-HXUWFJFHSA-N 1 1 383.419 4.063 20 10 GICDMO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000123353493 823500507 /nfs/dbraw/zinc/50/05/07/823500507.db2.gz QSJPYAOLXGHRHZ-UHFFFAOYSA-N 1 1 383.444 4.213 20 10 GICDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000123353493 823500509 /nfs/dbraw/zinc/50/05/09/823500509.db2.gz QSJPYAOLXGHRHZ-UHFFFAOYSA-N 1 1 383.444 4.213 20 10 GICDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000123358839 823501359 /nfs/dbraw/zinc/50/13/59/823501359.db2.gz ATBLLVOQHDGKPJ-QGZVFWFLSA-N 1 1 391.519 4.149 20 10 GICDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177972267 822264290 /nfs/dbraw/zinc/26/42/90/822264290.db2.gz VYEWSMBVVWCMGV-INIZCTEOSA-N 1 1 381.451 4.168 20 10 GICDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000183017072 822411993 /nfs/dbraw/zinc/41/19/93/822411993.db2.gz JUMLGVYQYPNMPP-UHFFFAOYSA-N 1 1 395.528 4.140 20 10 GICDMO OC1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2F)CC1 ZINC000180214556 822640834 /nfs/dbraw/zinc/64/08/34/822640834.db2.gz YQXKIZRLIMULLW-DEOSSOPVSA-N 1 1 391.490 4.061 20 10 GICDMO COc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000184900727 822710101 /nfs/dbraw/zinc/71/01/01/822710101.db2.gz KMKJDMYITRTILN-OAHLLOKOSA-N 1 1 389.565 4.034 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185362729 822771938 /nfs/dbraw/zinc/77/19/38/822771938.db2.gz FSSKYKTUFRMICR-CVEARBPZSA-N 1 1 389.490 4.224 20 10 GICDMO Oc1c(Br)cccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000174390847 822782817 /nfs/dbraw/zinc/78/28/17/822782817.db2.gz FGJXPXGECGXCQW-UHFFFAOYSA-N 1 1 380.257 4.089 20 10 GICDMO Oc1ccc2cc(Br)ccc2c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495173 822890540 /nfs/dbraw/zinc/89/05/40/822890540.db2.gz IVFKDWDJIJHJFO-CYBMUJFWSA-N 1 1 376.294 4.309 20 10 GICDMO CC(C)(C)c1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847812 822918014 /nfs/dbraw/zinc/91/80/14/822918014.db2.gz OBQDINWTUUUNPG-SFHVURJKSA-N 1 1 393.593 4.139 20 10 GICDMO CC(C)(C)c1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847812 822918016 /nfs/dbraw/zinc/91/80/16/822918016.db2.gz OBQDINWTUUUNPG-SFHVURJKSA-N 1 1 393.593 4.139 20 10 GICDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175647773 823012581 /nfs/dbraw/zinc/01/25/81/823012581.db2.gz XRBCDRZZHLMHBA-KNQAVFIVSA-N 1 1 395.547 4.367 20 10 GICDMO COc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462173 823803915 /nfs/dbraw/zinc/80/39/15/823803915.db2.gz FIZAWTADBSZOEF-SANMLTNESA-N 1 1 375.534 4.068 20 10 GICDMO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192644748 824054865 /nfs/dbraw/zinc/05/48/65/824054865.db2.gz QAHLIKSXIVJUDM-LLVKDONJSA-N 1 1 383.275 4.247 20 10 GICDMO C[N@@H+](Cc1ccc(CSC(F)F)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000121319464 823162767 /nfs/dbraw/zinc/16/27/67/823162767.db2.gz ITKIPILPLXCOMN-UHFFFAOYSA-N 1 1 382.476 4.204 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(SC(=O)N(C)C)cc3)CC2)cc1 ZINC000176883104 823316887 /nfs/dbraw/zinc/31/68/87/823316887.db2.gz NISDJRCUVYOAEV-UHFFFAOYSA-N 1 1 399.560 4.181 20 10 GICDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015571591 818340594 /nfs/dbraw/zinc/34/05/94/818340594.db2.gz CZCUTBLQVNLLQL-UHFFFAOYSA-N 1 1 397.475 4.084 20 10 GICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015571591 818340599 /nfs/dbraw/zinc/34/05/99/818340599.db2.gz CZCUTBLQVNLLQL-UHFFFAOYSA-N 1 1 397.475 4.084 20 10 GICDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922669 823514276 /nfs/dbraw/zinc/51/42/76/823514276.db2.gz XNDIRPFLFWMOAZ-SFHVURJKSA-N 1 1 386.517 4.241 20 10 GICDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922669 823514279 /nfs/dbraw/zinc/51/42/79/823514279.db2.gz XNDIRPFLFWMOAZ-SFHVURJKSA-N 1 1 386.517 4.241 20 10 GICDMO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000123614181 823525921 /nfs/dbraw/zinc/52/59/21/823525921.db2.gz AFKIYCUUECOOMI-KRWDZBQOSA-N 1 1 387.955 4.089 20 10 GICDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775662 821449129 /nfs/dbraw/zinc/44/91/29/821449129.db2.gz GDXUNMIBMKRGKZ-GOSISDBHSA-N 1 1 381.394 4.383 20 10 GICDMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775662 821449132 /nfs/dbraw/zinc/44/91/32/821449132.db2.gz GDXUNMIBMKRGKZ-GOSISDBHSA-N 1 1 381.394 4.383 20 10 GICDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000045790291 822413964 /nfs/dbraw/zinc/41/39/64/822413964.db2.gz LPZNQZFQWUMZCR-UHFFFAOYSA-N 1 1 396.579 4.325 20 10 GICDMO Oc1ccccc1C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCCO1 ZINC000183512920 822488316 /nfs/dbraw/zinc/48/83/16/822488316.db2.gz YNTSTEKRLZNUJB-QGZVFWFLSA-N 1 1 383.517 4.160 20 10 GICDMO COc1ccc(N2CCC[N@H+](Cc3sc(C)nc3C(F)(F)F)CC2)cc1 ZINC000183571523 822496261 /nfs/dbraw/zinc/49/62/61/822496261.db2.gz RANMCBLPULSLDP-UHFFFAOYSA-N 1 1 385.455 4.191 20 10 GICDMO COc1ccc(N2CCC[N@@H+](Cc3sc(C)nc3C(F)(F)F)CC2)cc1 ZINC000183571523 822496262 /nfs/dbraw/zinc/49/62/62/822496262.db2.gz RANMCBLPULSLDP-UHFFFAOYSA-N 1 1 385.455 4.191 20 10 GICDMO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025247 822599664 /nfs/dbraw/zinc/59/96/64/822599664.db2.gz YVZILAIAHUBYPW-QGZVFWFLSA-N 1 1 395.459 4.187 20 10 GICDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025247 822599669 /nfs/dbraw/zinc/59/96/69/822599669.db2.gz YVZILAIAHUBYPW-QGZVFWFLSA-N 1 1 395.459 4.187 20 10 GICDMO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)OCO2 ZINC000180509638 822693778 /nfs/dbraw/zinc/69/37/78/822693778.db2.gz DEWXGPMMFABPOQ-RDJZCZTQSA-N 1 1 375.490 4.051 20 10 GICDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185362749 822771963 /nfs/dbraw/zinc/77/19/63/822771963.db2.gz FSSKYKTUFRMICR-HOTGVXAUSA-N 1 1 389.490 4.224 20 10 GICDMO CCOc1cccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1O ZINC000174452190 822791782 /nfs/dbraw/zinc/79/17/82/822791782.db2.gz FPBSGBYVQQIIBL-UHFFFAOYSA-N 1 1 380.488 4.306 20 10 GICDMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000191532421 823696555 /nfs/dbraw/zinc/69/65/55/823696555.db2.gz BKGHSFHITYHKGN-JTQLQIEISA-N 1 1 377.803 4.094 20 10 GICDMO COc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000163910028 823759734 /nfs/dbraw/zinc/75/97/34/823759734.db2.gz UMEQHLPMUPGRLH-UHFFFAOYSA-N 1 1 396.531 4.046 20 10 GICDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1O ZINC000164258577 823790149 /nfs/dbraw/zinc/79/01/49/823790149.db2.gz GUBCOBTULAUQMV-MRXNPFEDSA-N 1 1 397.450 4.278 20 10 GICDMO