smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1c(C)noc1C ZINC000894362887 1013119537 /nfs/dbraw/zinc/11/95/37/1013119537.db2.gz YREQGAILWVYVKU-CQSZACIVSA-N 1 0 304.390 3.555 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1O ZINC000154973738 1013126537 /nfs/dbraw/zinc/12/65/37/1013126537.db2.gz KECXJZLGAMMXDA-IBGZPJMESA-N 1 0 321.424 3.878 20 10 DHCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 ZINC001167107925 1013148977 /nfs/dbraw/zinc/14/89/77/1013148977.db2.gz LFFFUBRBUHCPNY-IBGZPJMESA-N 1 0 304.478 3.778 20 10 DHCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894371965 1013173846 /nfs/dbraw/zinc/17/38/46/1013173846.db2.gz IBCXTEWLNNZOER-ZDUSSCGKSA-N 1 0 300.402 3.517 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccccc1O ZINC000155224763 1013306243 /nfs/dbraw/zinc/30/62/43/1013306243.db2.gz GKNWKHPSQIXZSL-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1O ZINC000894461911 1013379151 /nfs/dbraw/zinc/37/91/51/1013379151.db2.gz LZHIOFVPBPABDI-PBHICJAKSA-N 1 0 312.413 3.687 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1C ZINC000164284871 1013469440 /nfs/dbraw/zinc/46/94/40/1013469440.db2.gz YEFMIOBISSYEBN-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO CCCN(CCC)c1ccc(CN[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000894771824 1013481421 /nfs/dbraw/zinc/48/14/21/1013481421.db2.gz XPEUTVZBSXDNAZ-CQSZACIVSA-N 1 0 315.465 3.590 20 10 DHCDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000839183552 1013622020 /nfs/dbraw/zinc/62/20/20/1013622020.db2.gz YBZDPZQLAGVGAK-NSHDSACASA-N 1 0 317.260 3.521 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000894887587 1013625374 /nfs/dbraw/zinc/62/53/74/1013625374.db2.gz GNSYEHCUMXPHCN-YPMHNXCESA-N 1 0 317.351 3.872 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000894887585 1013626285 /nfs/dbraw/zinc/62/62/85/1013626285.db2.gz GNSYEHCUMXPHCN-DGCLKSJQSA-N 1 0 317.351 3.872 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000177386488 1013731584 /nfs/dbraw/zinc/73/15/84/1013731584.db2.gz TVGWDBYJPVGZLM-GXTWGEPZSA-N 1 0 310.388 3.645 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1O ZINC000155510243 1013886716 /nfs/dbraw/zinc/88/67/16/1013886716.db2.gz QUUFUQHKENKLBK-QGZVFWFLSA-N 1 0 312.413 3.817 20 10 DHCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286582 1014206718 /nfs/dbraw/zinc/20/67/18/1014206718.db2.gz JOMPRZKLXYMOCK-CQSZACIVSA-N 1 0 300.471 3.851 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817970276 1029309474 /nfs/dbraw/zinc/30/94/74/1029309474.db2.gz QHTXQZVSFWMONS-GUBZILKMSA-N 1 0 303.233 3.620 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(CF)cc3)cc2)CC1 ZINC001167430992 1014297277 /nfs/dbraw/zinc/29/72/77/1014297277.db2.gz ANOGIFXUDHSNFW-UHFFFAOYSA-N 1 0 313.420 3.520 20 10 DHCDRO COc1ccc(N(Cc2cccs2)CC2CC[NH2+]CC2)cc1 ZINC000178955892 1014304694 /nfs/dbraw/zinc/30/46/94/1014304694.db2.gz XUXVWCDAFQLAFV-UHFFFAOYSA-N 1 0 316.470 3.763 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000153231822 1033568333 /nfs/dbraw/zinc/56/83/33/1033568333.db2.gz ZFFLWWKLGNLXSY-OAHLLOKOSA-N 1 0 303.427 3.635 20 10 DHCDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000261761358 1014432599 /nfs/dbraw/zinc/43/25/99/1014432599.db2.gz MMHIPTQZUZHHQY-CYBMUJFWSA-N 1 0 324.428 3.603 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(C)c1F ZINC001143385450 1014460221 /nfs/dbraw/zinc/46/02/21/1014460221.db2.gz SMCVBGFJGMWZSA-UHFFFAOYSA-N 1 0 315.388 3.802 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(Cl)s2)c(Cl)c1 ZINC000895151460 1014626228 /nfs/dbraw/zinc/62/62/28/1014626228.db2.gz JKBCQEKGABHGBQ-UHFFFAOYSA-N 1 0 303.214 3.754 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000706842134 1014653508 /nfs/dbraw/zinc/65/35/08/1014653508.db2.gz OAMLCHAHNUUBDB-SECBINFHSA-N 1 0 320.177 3.822 20 10 DHCDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000289908498 1014670911 /nfs/dbraw/zinc/67/09/11/1014670911.db2.gz UGBYVOIMDOXRLQ-MRXNPFEDSA-N 1 0 312.461 3.651 20 10 DHCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000320218992 1015119363 /nfs/dbraw/zinc/11/93/63/1015119363.db2.gz SOVGDGGBXCBICU-LSDHHAIUSA-N 1 0 300.446 3.925 20 10 DHCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000320218989 1015119707 /nfs/dbraw/zinc/11/97/07/1015119707.db2.gz SOVGDGGBXCBICU-CABCVRRESA-N 1 0 300.446 3.925 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581141 1015219001 /nfs/dbraw/zinc/21/90/01/1015219001.db2.gz LUNITFVKGBREQU-SECBINFHSA-N 1 0 312.797 3.631 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895690308 1015258631 /nfs/dbraw/zinc/25/86/31/1015258631.db2.gz FOBCTDGNMPPPDS-FUHWJXTLSA-N 1 0 315.388 3.824 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c1OC ZINC000891560532 1015393714 /nfs/dbraw/zinc/39/37/14/1015393714.db2.gz CBRFZLFXIOWAQY-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1O ZINC001140464426 1015507413 /nfs/dbraw/zinc/50/74/13/1015507413.db2.gz PDJSDZMZIJCSRM-UHFFFAOYSA-N 1 0 319.788 3.796 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896228878 1015512597 /nfs/dbraw/zinc/51/25/97/1015512597.db2.gz VKEBVUQTQZOMGU-GFCCVEGCSA-N 1 0 323.717 3.912 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)cc1Cl ZINC000896607988 1015677880 /nfs/dbraw/zinc/67/78/80/1015677880.db2.gz BYNQUVQCPKYXIQ-KRWDZBQOSA-N 1 0 302.805 3.990 20 10 DHCDRO C[C@@H]([NH2+]CCCOCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000184900947 1016433018 /nfs/dbraw/zinc/43/30/18/1016433018.db2.gz MLQMDHOSIZTRFE-CQSZACIVSA-N 1 0 303.446 3.738 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000184955168 1016458966 /nfs/dbraw/zinc/45/89/66/1016458966.db2.gz YGESTEVWSZUWII-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c1 ZINC000185025045 1016501462 /nfs/dbraw/zinc/50/14/62/1016501462.db2.gz IOWJZYGTZAHALQ-HUUCEWRRSA-N 1 0 314.429 3.576 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1O ZINC000185080203 1016547755 /nfs/dbraw/zinc/54/77/55/1016547755.db2.gz BHTSYWYWUNHAEX-YVEFUNNKSA-N 1 0 320.383 3.624 20 10 DHCDRO COc1ccc(CCC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185095062 1016547257 /nfs/dbraw/zinc/54/72/57/1016547257.db2.gz KFDWPVWLXIVGOY-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000896893421 1016570447 /nfs/dbraw/zinc/57/04/47/1016570447.db2.gz YXZVCUNXWSCFDR-GDBMZVCRSA-N 1 0 307.315 3.670 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C1CC(F)(F)C1 ZINC000277582820 1016704529 /nfs/dbraw/zinc/70/45/29/1016704529.db2.gz UDYBQUHYPDLBHV-UHFFFAOYSA-N 1 0 319.351 3.859 20 10 DHCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185186615 1016716317 /nfs/dbraw/zinc/71/63/17/1016716317.db2.gz ZKASFHWNDOMALZ-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC1=CCCCC1 ZINC000072670690 1016788871 /nfs/dbraw/zinc/78/88/71/1016788871.db2.gz CSDYNNHBRPWDMJ-UHFFFAOYSA-N 1 0 300.446 3.503 20 10 DHCDRO C[C@H]1CCCN(c2ccc(CNCc3ncc[nH]3)cc2Cl)C1 ZINC000281959366 1016836305 /nfs/dbraw/zinc/83/63/05/1016836305.db2.gz JHKLSDFCWPJTDH-ZDUSSCGKSA-N 1 0 318.852 3.589 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc2c(cc1O)CCCC2 ZINC000185373334 1016883222 /nfs/dbraw/zinc/88/32/22/1016883222.db2.gz WJGRXAHZWDJWHD-CQSZACIVSA-N 1 0 311.425 3.614 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000896946048 1016950738 /nfs/dbraw/zinc/95/07/38/1016950738.db2.gz OHVZOIJXIGKYCC-UHFFFAOYSA-N 1 0 314.454 3.717 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCS1 ZINC000896953185 1016958207 /nfs/dbraw/zinc/95/82/07/1016958207.db2.gz WBZMNMLUCQYUQW-SKDRFNHKSA-N 1 0 316.264 3.528 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)c1 ZINC000185566682 1017015282 /nfs/dbraw/zinc/01/52/82/1017015282.db2.gz NURZQKQGXVFRGW-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000192783967 1017058824 /nfs/dbraw/zinc/05/88/24/1017058824.db2.gz VYKGTFFLEAIIFZ-KGLIPLIRSA-N 1 0 313.397 3.884 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c1 ZINC000192809130 1017065243 /nfs/dbraw/zinc/06/52/43/1017065243.db2.gz FLOIBBAPTAQRGH-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO CC(C)[N@H+](CCc1cscn1)Cc1ccc(N(C)C)cc1 ZINC000294793141 1032154706 /nfs/dbraw/zinc/15/47/06/1032154706.db2.gz BMPJXOHLVWOJHE-UHFFFAOYSA-N 1 0 303.475 3.662 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000846958753 1032157540 /nfs/dbraw/zinc/15/75/40/1032157540.db2.gz GRZQBDZSHMOGFF-SFHVURJKSA-N 1 0 302.462 3.580 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000772960825 1032197305 /nfs/dbraw/zinc/19/73/05/1032197305.db2.gz QNEKLCMUYGEAFA-CYBMUJFWSA-N 1 0 320.383 3.760 20 10 DHCDRO CCCOc1ccc(C[NH2+]CC(C)(C)c2ccccn2)c(O)c1 ZINC000294927962 1032215010 /nfs/dbraw/zinc/21/50/10/1032215010.db2.gz ZGJBPYLJHNHUIJ-UHFFFAOYSA-N 1 0 314.429 3.643 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2ccccc2c1O ZINC000185652347 1017081341 /nfs/dbraw/zinc/08/13/41/1017081341.db2.gz AKZNWZBZBYTWRF-YJBOKZPZSA-N 1 0 321.420 3.972 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000282730059 1032466174 /nfs/dbraw/zinc/46/61/74/1032466174.db2.gz MNEHYPWWHRJNHF-MAUKXSAKSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000185672248 1017093407 /nfs/dbraw/zinc/09/34/07/1017093407.db2.gz CJEOJMHLHDMPBJ-DZKIICNBSA-N 1 0 310.441 3.821 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c(O)c1 ZINC000192846885 1017093646 /nfs/dbraw/zinc/09/36/46/1017093646.db2.gz KPFKGNCQIBQHBG-OLZOCXBDSA-N 1 0 313.401 3.603 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)c1O ZINC001171353453 1032512380 /nfs/dbraw/zinc/51/23/80/1032512380.db2.gz GGWPKNUFJZSBPC-HNNXBMFYSA-N 1 0 303.352 3.626 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773100849 1032559350 /nfs/dbraw/zinc/55/93/50/1032559350.db2.gz GAFXDHOAHDXOGE-SFTDATJTSA-N 1 0 324.468 3.627 20 10 DHCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)o1 ZINC000160193156 1011986617 /nfs/dbraw/zinc/98/66/17/1011986617.db2.gz OMRMVLLRHFXBOJ-GOSISDBHSA-N 1 0 315.413 3.783 20 10 DHCDRO Oc1cc2ccccc2cc1CNc1cccc2c1C[NH2+]CC2 ZINC001171404652 1032594918 /nfs/dbraw/zinc/59/49/18/1032594918.db2.gz GXWDVAYPJFQIQM-UHFFFAOYSA-N 1 0 304.393 3.803 20 10 DHCDRO Nc1[nH]c2ccc(NCc3cc4ccccc4cc3O)cc2[nH+]1 ZINC001171404935 1032595652 /nfs/dbraw/zinc/59/56/52/1032595652.db2.gz LVMXLOPOIQBLPK-UHFFFAOYSA-N 1 0 304.353 3.616 20 10 DHCDRO COc1ccc(F)c(CN(C)Cc2ccccc2O)c1Cl ZINC001143372962 1012157587 /nfs/dbraw/zinc/15/75/87/1012157587.db2.gz QJZZKRRVXQVYBD-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000319762469 1012266649 /nfs/dbraw/zinc/26/66/49/1012266649.db2.gz DTTSPTUDBQZJTQ-WMZOPIPTSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cscn2)c(C)n1-c1ccccc1 ZINC000857761192 1032674685 /nfs/dbraw/zinc/67/46/85/1032674685.db2.gz GRNAQNVSIVDLFW-UHFFFAOYSA-N 1 0 311.454 3.883 20 10 DHCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000192854285 1017123449 /nfs/dbraw/zinc/12/34/49/1017123449.db2.gz WQLZIKDSAHWXMR-QWHCGFSZSA-N 1 0 309.413 3.999 20 10 DHCDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Br)ccc1O ZINC000840859638 1017207996 /nfs/dbraw/zinc/20/79/96/1017207996.db2.gz LDVNJSLMNICEHQ-WCABBAIRSA-N 1 0 316.264 3.699 20 10 DHCDRO COc1ccc2cc(C[NH2+]Cc3cccc(OC)c3O)ccc2c1 ZINC000237285160 1017335383 /nfs/dbraw/zinc/33/53/83/1017335383.db2.gz GWIMUCFEDJNEHV-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716251364 1032693178 /nfs/dbraw/zinc/69/31/78/1032693178.db2.gz AKQCKKMETPKZEM-UHFFFAOYSA-N 1 0 317.816 3.883 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1ccc(N(C)C)cc1C ZINC000840917912 1017481862 /nfs/dbraw/zinc/48/18/62/1017481862.db2.gz VQLKRGCVGVZUMF-UHFFFAOYSA-N 1 0 303.475 3.582 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)ccc1OC ZINC000840961166 1017587731 /nfs/dbraw/zinc/58/77/31/1017587731.db2.gz RUTSSAPMHBVSBV-AUUYWEPGSA-N 1 0 321.461 3.525 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCCc3ccccc3)CC2)cc1 ZINC000143480859 1017591638 /nfs/dbraw/zinc/59/16/38/1017591638.db2.gz SGSFKVQGZKWXJK-UHFFFAOYSA-N 1 0 324.468 3.886 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)ccc1OC ZINC000840961171 1017595365 /nfs/dbraw/zinc/59/53/65/1017595365.db2.gz RUTSSAPMHBVSBV-LIRRHRJNSA-N 1 0 321.461 3.525 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)c2ccc(F)cc2)c1 ZINC000186084544 1017689777 /nfs/dbraw/zinc/68/97/77/1017689777.db2.gz RBKZNRVQMRDLIH-SGTLLEGYSA-N 1 0 319.376 3.578 20 10 DHCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c2cc[nH]c21 ZINC001167624653 1017696503 /nfs/dbraw/zinc/69/65/03/1017696503.db2.gz CWANLMCOLZZVGZ-UHFFFAOYSA-N 1 0 301.434 3.661 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001171456481 1032718723 /nfs/dbraw/zinc/71/87/23/1032718723.db2.gz BIUSFAXNCIKLLK-RISCZKNCSA-N 1 0 303.352 3.879 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001171465015 1032725301 /nfs/dbraw/zinc/72/53/01/1032725301.db2.gz FIZBOARCGCYSRO-HNNXBMFYSA-N 1 0 317.379 3.934 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494784 1032735018 /nfs/dbraw/zinc/73/50/18/1032735018.db2.gz TZVNDMKGSBFYGY-HNNXBMFYSA-N 1 0 303.352 3.660 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494785 1032735878 /nfs/dbraw/zinc/73/58/78/1032735878.db2.gz TZVNDMKGSBFYGY-OAHLLOKOSA-N 1 0 303.352 3.660 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000701921660 1018123644 /nfs/dbraw/zinc/12/36/44/1018123644.db2.gz ZKZKSQXBIYFDIH-KBPBESRZSA-N 1 0 322.449 3.607 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858016044 1032745587 /nfs/dbraw/zinc/74/55/87/1032745587.db2.gz HLHANKMBIVUUHA-SFHVURJKSA-N 1 0 324.424 3.626 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2scnc2C2CC2)n1 ZINC000785474569 1018206550 /nfs/dbraw/zinc/20/65/50/1018206550.db2.gz UGYKAFJTXVBQFZ-UHFFFAOYSA-N 1 0 311.501 3.749 20 10 DHCDRO CN(Cc1cc2c(cc1O)OCO2)Cc1cc(Cl)ccc1F ZINC000766091091 1018265613 /nfs/dbraw/zinc/26/56/13/1018265613.db2.gz MBZBVDZCHFDAAI-UHFFFAOYSA-N 1 0 323.751 3.545 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CC(OCc3ccccc3)C2)cc1C ZINC000766101626 1018323645 /nfs/dbraw/zinc/32/36/45/1018323645.db2.gz ADYOWDYKATVITI-UHFFFAOYSA-N 1 0 311.425 3.846 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000764652927 1018338379 /nfs/dbraw/zinc/33/83/79/1018338379.db2.gz BKWZJZNLKORMHS-MRXNPFEDSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764760293 1018366856 /nfs/dbraw/zinc/36/68/56/1018366856.db2.gz HZEJAGHOOIVEGT-KSSFIOAISA-N 1 0 317.502 3.768 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC000764933637 1018430470 /nfs/dbraw/zinc/43/04/70/1018430470.db2.gz QFUYVOVXKOOBDT-ZACQAIPSSA-N 1 0 303.494 3.524 20 10 DHCDRO C[C@H]1OCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1C ZINC000765099356 1018474743 /nfs/dbraw/zinc/47/47/43/1018474743.db2.gz PDTDAWMFSBNCHV-QWHCGFSZSA-N 1 0 315.413 3.626 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858100351 1032767406 /nfs/dbraw/zinc/76/74/06/1032767406.db2.gz FFIALFCIJAVUAT-GFCCVEGCSA-N 1 0 320.383 3.890 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccncc2Cl)cc1 ZINC000858100270 1032767619 /nfs/dbraw/zinc/76/76/19/1032767619.db2.gz AZHCFNGMWZPPKE-UHFFFAOYSA-N 1 0 303.837 3.871 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000125238044 1032771941 /nfs/dbraw/zinc/77/19/41/1032771941.db2.gz JVMLLVWNFRAVLD-MAUKXSAKSA-N 1 0 314.429 3.654 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858116742 1032773813 /nfs/dbraw/zinc/77/38/13/1032773813.db2.gz WNQKFRFOCTYMGI-GFCCVEGCSA-N 1 0 320.383 3.890 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C2(c3ccccc3)CC2)cc1F ZINC000858132441 1032776897 /nfs/dbraw/zinc/77/68/97/1032776897.db2.gz DLBXDHRHWUXPLW-UHFFFAOYSA-N 1 0 302.368 3.810 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccncc1 ZINC000858144987 1032779209 /nfs/dbraw/zinc/77/92/09/1032779209.db2.gz WSKJXXFJZYMNQG-INIZCTEOSA-N 1 0 305.372 3.667 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)CC(F)F ZINC000706857862 1018764139 /nfs/dbraw/zinc/76/41/39/1018764139.db2.gz JRKNDNNVBZFCKM-QMMMGPOBSA-N 1 0 308.166 3.536 20 10 DHCDRO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765349908 1018766839 /nfs/dbraw/zinc/76/68/39/1018766839.db2.gz ODZTWLRLVXAFPO-MRXNPFEDSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3c([O-])cccc3F)C2)cc1 ZINC001137839668 1018768981 /nfs/dbraw/zinc/76/89/81/1018768981.db2.gz GKBJGMZXVIAGIH-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO CCOC1CC[NH+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000091677503 1018885011 /nfs/dbraw/zinc/88/50/11/1018885011.db2.gz BPTGAUZEIJAHNR-UHFFFAOYSA-N 1 0 308.441 3.673 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921528941 1018928615 /nfs/dbraw/zinc/92/86/15/1018928615.db2.gz WDUADYLGHOUPSO-IPMKNSEASA-N 1 0 314.473 3.582 20 10 DHCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765945028 1018950756 /nfs/dbraw/zinc/95/07/56/1018950756.db2.gz OUFRCEWITNPREA-LPHOPBHVSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1O)c1cc(Cl)cc2c1OCC2 ZINC000922986212 1018964730 /nfs/dbraw/zinc/96/47/30/1018964730.db2.gz FBGYNAORCMSMOF-NSHDSACASA-N 1 0 303.789 3.831 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC34CCCCC4)CC2)cc1 ZINC000858191440 1032798578 /nfs/dbraw/zinc/79/85/78/1032798578.db2.gz STBMDIJWZYGDOX-IBGZPJMESA-N 1 0 314.473 3.976 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923009329 1018980260 /nfs/dbraw/zinc/98/02/60/1018980260.db2.gz ZFGHPORWMJZIQN-MXVIHJGJSA-N 1 0 324.468 3.574 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000765609433 1018998896 /nfs/dbraw/zinc/99/88/96/1018998896.db2.gz OHCLPJTYTNMQSI-IBGZPJMESA-N 1 0 310.441 3.928 20 10 DHCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765950951 1019048105 /nfs/dbraw/zinc/04/81/05/1019048105.db2.gz FQQJIFKJLATALF-INIZCTEOSA-N 1 0 302.462 3.633 20 10 DHCDRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134937328 1019051459 /nfs/dbraw/zinc/05/14/59/1019051459.db2.gz SSEHJMSMWCPMPV-DTWKUNHWSA-N 1 0 304.253 3.557 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1F ZINC000858207910 1032804865 /nfs/dbraw/zinc/80/48/65/1032804865.db2.gz XYVDLJFMETXTSG-OAHLLOKOSA-N 1 0 308.441 3.578 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccccc2C)c1O ZINC000387256909 1019063622 /nfs/dbraw/zinc/06/36/22/1019063622.db2.gz DWQHTPLHESRIGZ-UHFFFAOYSA-N 1 0 301.361 3.674 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)c1 ZINC000186160222 1019105339 /nfs/dbraw/zinc/10/53/39/1019105339.db2.gz GSGCYGCVJRJJRS-WLYUNCDWSA-N 1 0 307.434 3.788 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800286136 1019131771 /nfs/dbraw/zinc/13/17/71/1019131771.db2.gz IJZJCCCEEFRMOS-OAHLLOKOSA-N 1 0 308.208 3.956 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OCC(F)F)cc2)c1 ZINC000858237895 1032812114 /nfs/dbraw/zinc/81/21/14/1032812114.db2.gz RHQKKFLXXHRYGC-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239320 1032813493 /nfs/dbraw/zinc/81/34/93/1032813493.db2.gz LRXDXHOOTKVRJP-WBVHZDCISA-N 1 0 319.445 3.692 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1[N+](=O)[O-] ZINC000921966635 1019230663 /nfs/dbraw/zinc/23/06/63/1019230663.db2.gz LXXLYSVMRDJSIM-ZDUSSCGKSA-N 1 0 312.369 3.771 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000858258786 1032821148 /nfs/dbraw/zinc/82/11/48/1032821148.db2.gz OKJZRUDTTSVDRH-WKILWMFISA-N 1 0 321.461 3.864 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143103331 1019357294 /nfs/dbraw/zinc/35/72/94/1019357294.db2.gz AMGNUBVMWZKRNJ-AUUYWEPGSA-N 1 0 305.462 3.673 20 10 DHCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112296 1019401343 /nfs/dbraw/zinc/40/13/43/1019401343.db2.gz PEFHDGZWPTTYLT-INIZCTEOSA-N 1 0 304.478 3.604 20 10 DHCDRO CCCC[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1O ZINC000825788397 1032834511 /nfs/dbraw/zinc/83/45/11/1032834511.db2.gz GSROPSKQJXMIKQ-UHFFFAOYSA-N 1 0 313.445 3.801 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cnn3c2CCC3)c(C)n1-c1ccccc1 ZINC000858294554 1032835988 /nfs/dbraw/zinc/83/59/88/1032835988.db2.gz IPZPTCQFIQWOLV-UHFFFAOYSA-N 1 0 320.440 3.527 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000858299191 1032836292 /nfs/dbraw/zinc/83/62/92/1032836292.db2.gz QPWUWUJZTFFSER-QUCCMNQESA-N 1 0 309.409 3.716 20 10 DHCDRO CCCC[N@H+](Cc1c(C2CC2)cnn1C)Cc1ccccc1O ZINC000825788675 1032839923 /nfs/dbraw/zinc/83/99/23/1032839923.db2.gz ISGMZNCQMOLGBQ-UHFFFAOYSA-N 1 0 313.445 3.805 20 10 DHCDRO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000727170104 1019658466 /nfs/dbraw/zinc/65/84/66/1019658466.db2.gz SHLBSCVQPCRJPI-QGZVFWFLSA-N 1 0 316.489 3.668 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC001203250043 1032847232 /nfs/dbraw/zinc/84/72/32/1032847232.db2.gz ZGQRXRQTGOJSJU-SFHVURJKSA-N 1 0 308.441 3.577 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3ccc(Cl)cc31)OCO2 ZINC000858321332 1032848534 /nfs/dbraw/zinc/84/85/34/1032848534.db2.gz ZCSCXDXSJGASAK-CQSZACIVSA-N 1 0 317.772 3.551 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000727467424 1019718374 /nfs/dbraw/zinc/71/83/74/1019718374.db2.gz XJILQPIJKGLPAQ-UHFFFAOYSA-N 1 0 308.429 3.699 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1F ZINC000727468389 1019720103 /nfs/dbraw/zinc/72/01/03/1019720103.db2.gz KDUFRULZPUZJGB-UHFFFAOYSA-N 1 0 309.388 3.730 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC001171733327 1032849869 /nfs/dbraw/zinc/84/98/69/1032849869.db2.gz QUBLQUXQRGDIBP-LZLYRXPVSA-N 1 0 310.441 3.706 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C ZINC000765773553 1019862197 /nfs/dbraw/zinc/86/21/97/1019862197.db2.gz DQIAKQULVCUOAB-IRXDYDNUSA-N 1 0 303.494 3.668 20 10 DHCDRO CO[C@@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000728049212 1019866280 /nfs/dbraw/zinc/86/62/80/1019866280.db2.gz BMVLZAJMXIEPTK-CYBMUJFWSA-N 1 0 315.413 3.628 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171760091 1032863824 /nfs/dbraw/zinc/86/38/24/1032863824.db2.gz QMRYLPUTXQHILR-FXAWDEMLSA-N 1 0 324.468 3.877 20 10 DHCDRO c1ccc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922307552 1019985650 /nfs/dbraw/zinc/98/56/50/1019985650.db2.gz ILZJOZCTLLLPOI-FPOVZHCZSA-N 1 0 323.436 3.879 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1C ZINC000731041752 1020060071 /nfs/dbraw/zinc/06/00/71/1020060071.db2.gz UJTVCLDHBFEZLB-UHFFFAOYSA-N 1 0 312.413 3.511 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000731041622 1020060102 /nfs/dbraw/zinc/06/01/02/1020060102.db2.gz KHHHXTOIRSMCNN-HXUWFJFHSA-N 1 0 322.452 3.633 20 10 DHCDRO Oc1ccccc1C[NH2+]CCCc1cccc(Br)c1 ZINC000731217758 1020084003 /nfs/dbraw/zinc/08/40/03/1020084003.db2.gz MAPNCGQEZUHGOI-UHFFFAOYSA-N 1 0 320.230 3.877 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccc(OC)cc3)CC2)c1 ZINC000731678376 1020137270 /nfs/dbraw/zinc/13/72/70/1020137270.db2.gz AINRSGGNJDTFMA-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO COc1ccc(C2([NH2+]Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000731678730 1020139695 /nfs/dbraw/zinc/13/96/95/1020139695.db2.gz JMAPAAHDSNLHGX-UHFFFAOYSA-N 1 0 303.789 3.833 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000922585339 1020143828 /nfs/dbraw/zinc/14/38/28/1020143828.db2.gz RMDNVDVGGZQKED-XJDXJNMNSA-N 1 0 307.441 3.902 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715819688 1020175371 /nfs/dbraw/zinc/17/53/71/1020175371.db2.gz ZBGJLSFFFIGMJD-DTORHVGOSA-N 1 0 302.187 3.667 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922679126 1020211163 /nfs/dbraw/zinc/21/11/63/1020211163.db2.gz HHXLKJVBHWMNJT-DZGCQCFKSA-N 1 0 317.351 3.599 20 10 DHCDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000186569452 1020229573 /nfs/dbraw/zinc/22/95/73/1020229573.db2.gz AAXQVBQEAIEZGV-OCCSQVGLSA-N 1 0 303.475 3.972 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000858426214 1032889925 /nfs/dbraw/zinc/88/99/25/1032889925.db2.gz NUEDEWOZKYBREE-FRQCXROJSA-N 1 0 304.478 3.539 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766006670 1020339833 /nfs/dbraw/zinc/33/98/33/1020339833.db2.gz OEALBLPBSNKNQF-HUUCEWRRSA-N 1 0 322.468 3.995 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(Cl)c1OC ZINC000733327872 1020374170 /nfs/dbraw/zinc/37/41/70/1020374170.db2.gz YRUVUUUEBGKARZ-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO COc1ccc(C2([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2)cc1 ZINC000733328174 1020374997 /nfs/dbraw/zinc/37/49/97/1020374997.db2.gz PQJCSEBWWOAHAD-UHFFFAOYSA-N 1 0 314.404 3.679 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1F ZINC000733328541 1020377237 /nfs/dbraw/zinc/37/72/37/1020377237.db2.gz SIINMVQSMVICOR-UHFFFAOYSA-N 1 0 302.368 3.810 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccccc1O ZINC000858442591 1032896486 /nfs/dbraw/zinc/89/64/86/1032896486.db2.gz KAPUWAICOWTUJT-PKOBYXMFSA-N 1 0 315.413 3.829 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1O)CCO2 ZINC000186694267 1020398815 /nfs/dbraw/zinc/39/88/15/1020398815.db2.gz YKQSNVBLFIAMIE-CXAGYDPISA-N 1 0 313.397 3.965 20 10 DHCDRO CCCC[N@H+](CCCn1ccnc1C)Cc1ccccc1O ZINC000282571314 1020464150 /nfs/dbraw/zinc/46/41/50/1020464150.db2.gz ZOKVPBIDYJGGQF-UHFFFAOYSA-N 1 0 301.434 3.590 20 10 DHCDRO CCc1cc(C[NH+]2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000177191332 1020506731 /nfs/dbraw/zinc/50/67/31/1020506731.db2.gz SGKITAMEYADQNZ-UHFFFAOYSA-N 1 0 305.462 3.599 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765873834 1020535242 /nfs/dbraw/zinc/53/52/42/1020535242.db2.gz WVYRQIUHUQSEHB-WBVHZDCISA-N 1 0 310.441 3.970 20 10 DHCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140748520 1020600536 /nfs/dbraw/zinc/60/05/36/1020600536.db2.gz HREQGBGJMADQPB-CYBMUJFWSA-N 1 0 301.386 3.608 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2cccnc2c1 ZINC000734508492 1020617122 /nfs/dbraw/zinc/61/71/22/1020617122.db2.gz AJXWZSSFDBYHDJ-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000155188058 1020739069 /nfs/dbraw/zinc/73/90/69/1020739069.db2.gz MUBPSRIIWCEUSJ-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO C[C@@H]1SCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000735668619 1020760276 /nfs/dbraw/zinc/76/02/76/1020760276.db2.gz JYLSQRJRDGTEAS-RYUDHWBXSA-N 1 0 309.475 3.721 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000858543158 1032939280 /nfs/dbraw/zinc/93/92/80/1032939280.db2.gz QMAMSYBLPKKEDZ-OAHLLOKOSA-N 1 0 308.429 3.678 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000858543800 1032940209 /nfs/dbraw/zinc/94/02/09/1032940209.db2.gz WSYTUMNWCMXJEA-AWEZNQCLSA-N 1 0 308.429 3.976 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000858543803 1032940759 /nfs/dbraw/zinc/94/07/59/1032940759.db2.gz WSYTUMNWCMXJEA-CQSZACIVSA-N 1 0 308.429 3.976 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924573897 1020921796 /nfs/dbraw/zinc/92/17/96/1020921796.db2.gz LFMCAQFIRKPRKK-MRXNPFEDSA-N 1 0 301.821 3.578 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1F ZINC000740001239 1020922970 /nfs/dbraw/zinc/92/29/70/1020922970.db2.gz IJBXOHIGKRVGHK-MRXNPFEDSA-N 1 0 321.484 3.636 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000858544096 1032941832 /nfs/dbraw/zinc/94/18/32/1032941832.db2.gz YLPPBPJLYAMGGT-MRXNPFEDSA-N 1 0 322.456 3.987 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000178118268 1020946343 /nfs/dbraw/zinc/94/63/43/1020946343.db2.gz ZBUJIDHSLCKUMD-KRWDZBQOSA-N 1 0 312.413 3.722 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1C ZINC000926962747 1032947941 /nfs/dbraw/zinc/94/79/41/1032947941.db2.gz LWGVUWGFHLNLKX-TZMCWYRMSA-N 1 0 318.383 3.542 20 10 DHCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000766274070 1021036250 /nfs/dbraw/zinc/03/62/50/1021036250.db2.gz SKOGRQWVUOSVNP-ROUUACIJSA-N 1 0 315.505 3.812 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000742160122 1021096292 /nfs/dbraw/zinc/09/62/92/1021096292.db2.gz BFULCDSDPCJHRR-OAQYLSRUSA-N 1 0 323.436 3.763 20 10 DHCDRO C[C@@H]1CCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742386332 1021109656 /nfs/dbraw/zinc/10/96/56/1021109656.db2.gz ARTBKBXHCYPVHJ-MRXNPFEDSA-N 1 0 310.441 3.633 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCCC2 ZINC000742390854 1021111147 /nfs/dbraw/zinc/11/11/47/1021111147.db2.gz RKOPABCYHZGLOI-MSOLQXFVSA-N 1 0 303.446 3.831 20 10 DHCDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000742379682 1021116653 /nfs/dbraw/zinc/11/66/53/1021116653.db2.gz YUVRJZGCKTVZSW-OAHLLOKOSA-N 1 0 316.420 3.757 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875143 1021182106 /nfs/dbraw/zinc/18/21/06/1021182106.db2.gz NPDHORUTMSUCSE-DZGCQCFKSA-N 1 0 314.433 3.512 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(F)ccc1O ZINC000376520331 1021215411 /nfs/dbraw/zinc/21/54/11/1021215411.db2.gz YIWGHDCPOBZVGE-LBPRGKRZSA-N 1 0 311.360 3.772 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCc2ncccc2C)cc1 ZINC001202399301 1021248847 /nfs/dbraw/zinc/24/88/47/1021248847.db2.gz XJCJSLISLXSMFN-UHFFFAOYSA-N 1 0 311.473 3.959 20 10 DHCDRO FC(F)(F)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000917392583 1021249472 /nfs/dbraw/zinc/24/94/72/1021249472.db2.gz AAJYOQBOFCXHEJ-UHFFFAOYSA-N 1 0 321.342 3.973 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H](O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000733900817 1021266915 /nfs/dbraw/zinc/26/69/15/1021266915.db2.gz KKDIBKVCOMQWFY-QGZVFWFLSA-N 1 0 319.489 3.848 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000069678890 1021310543 /nfs/dbraw/zinc/31/05/43/1021310543.db2.gz XWXOCUVLCLLPJR-UHFFFAOYSA-N 1 0 324.468 3.591 20 10 DHCDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000107320172 1021313349 /nfs/dbraw/zinc/31/33/49/1021313349.db2.gz OYLAIOBWFGMINX-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001203338245 1032972740 /nfs/dbraw/zinc/97/27/40/1032972740.db2.gz ANBCIIMCINUROF-UHFFFAOYSA-N 1 0 324.399 3.883 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(Cl)cc3)CC1)OCO2 ZINC000112204063 1021363953 /nfs/dbraw/zinc/36/39/53/1021363953.db2.gz KEAVTFQLSBNCMK-UHFFFAOYSA-N 1 0 317.772 3.553 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154544150 1021378998 /nfs/dbraw/zinc/37/89/98/1021378998.db2.gz WDPYYKZNLNMCHB-VQIMIIECSA-N 1 0 304.478 3.879 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cccc(Cl)c1 ZINC000743870485 1021396586 /nfs/dbraw/zinc/39/65/86/1021396586.db2.gz TWJAZKBBTYHMGS-SFHVURJKSA-N 1 0 319.832 3.991 20 10 DHCDRO Cc1csc([C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000877813681 1033463974 /nfs/dbraw/zinc/46/39/74/1033463974.db2.gz NPALWDKCVKGYBT-NSHDSACASA-N 1 0 308.834 3.800 20 10 DHCDRO COCc1csc(C[NH2+]CCCSc2nccs2)c1 ZINC000850143112 1021427582 /nfs/dbraw/zinc/42/75/82/1021427582.db2.gz CNEQSVVYQQMSMR-UHFFFAOYSA-N 1 0 314.501 3.623 20 10 DHCDRO COc1cc(C[NH2+]CC2(C)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850181241 1021434775 /nfs/dbraw/zinc/43/47/75/1021434775.db2.gz FMQDXIUZCSPQRI-UHFFFAOYSA-N 1 0 321.461 3.605 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000850192336 1021437736 /nfs/dbraw/zinc/43/77/36/1021437736.db2.gz HDPUZYCBFOMTJG-GFCCVEGCSA-N 1 0 313.388 3.976 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234807 1021450303 /nfs/dbraw/zinc/45/03/03/1021450303.db2.gz LZDCZFQAEBLJEA-KBPBESRZSA-N 1 0 321.461 3.603 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000154652278 1021462475 /nfs/dbraw/zinc/46/24/75/1021462475.db2.gz WMQUCJHAXMCPJH-LPHOPBHVSA-N 1 0 306.494 3.838 20 10 DHCDRO COc1cc(C[NH2+]CCC2(OC)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850311527 1021470746 /nfs/dbraw/zinc/47/07/46/1021470746.db2.gz PLFGOIKWROGVOA-UHFFFAOYSA-N 1 0 321.461 3.747 20 10 DHCDRO CC[C@](C)(C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850315661 1021473430 /nfs/dbraw/zinc/47/34/30/1021473430.db2.gz IKPORVGWMQOTCA-GOSISDBHSA-N 1 0 309.450 3.603 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000850327512 1021474841 /nfs/dbraw/zinc/47/48/41/1021474841.db2.gz GRFHEHGSAHNXMQ-HUUCEWRRSA-N 1 0 321.461 3.746 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)cc1 ZINC000850346341 1021481083 /nfs/dbraw/zinc/48/10/83/1021481083.db2.gz RZNZJHUPNRTDOY-GNJLHFKMSA-N 1 0 308.425 3.577 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4occc4c3)C2)cc1 ZINC000850347790 1021481176 /nfs/dbraw/zinc/48/11/76/1021481176.db2.gz XPFWVRHUJYEWNH-KRWDZBQOSA-N 1 0 322.408 3.810 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3coc4ccccc34)C2)cc1 ZINC000850346262 1021481248 /nfs/dbraw/zinc/48/12/48/1021481248.db2.gz DKNAWIJKBZZPRT-MRXNPFEDSA-N 1 0 322.408 3.810 20 10 DHCDRO COc1cc(C[NH2+]CCc2ccoc2)c(O)c(C(C)(C)C)c1 ZINC000850376727 1021497610 /nfs/dbraw/zinc/49/76/10/1021497610.db2.gz LGXKBSXSVDXXGB-UHFFFAOYSA-N 1 0 303.402 3.624 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850374255 1021497762 /nfs/dbraw/zinc/49/77/62/1021497762.db2.gz LERFLPCYDIXDSZ-NVXWUHKLSA-N 1 0 303.789 3.622 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000850377483 1021499557 /nfs/dbraw/zinc/49/95/57/1021499557.db2.gz DWDFMOOVCPHNKB-TWOQFEAHSA-N 1 0 314.473 3.690 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000154696034 1021499619 /nfs/dbraw/zinc/49/96/19/1021499619.db2.gz JQPANJHMIZXKOX-OAHLLOKOSA-N 1 0 313.445 3.787 20 10 DHCDRO CC1(C)[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000850393500 1021505401 /nfs/dbraw/zinc/50/54/01/1021505401.db2.gz CYJHOBQGWVBDJD-NSHDSACASA-N 1 0 320.177 3.536 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2SCCS2)cc1F ZINC000850401427 1021511213 /nfs/dbraw/zinc/51/12/13/1021511213.db2.gz AMAXAUNBKXTWPC-UHFFFAOYSA-N 1 0 314.495 3.568 20 10 DHCDRO CC1CCC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405951 1021513521 /nfs/dbraw/zinc/51/35/21/1021513521.db2.gz LQHRPHRSLQKIGN-UHFFFAOYSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406064 1021513857 /nfs/dbraw/zinc/51/38/57/1021513857.db2.gz QACAWQDAUQGYNU-AEFFLSMTSA-N 1 0 316.489 3.564 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850408765 1021515128 /nfs/dbraw/zinc/51/51/28/1021515128.db2.gz FAIFSINAPBSVIY-CQSZACIVSA-N 1 0 321.461 3.603 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(F)F)nc1 ZINC000850422245 1021524763 /nfs/dbraw/zinc/52/47/63/1021524763.db2.gz KDSQIUGPOZNXII-GFCCVEGCSA-N 1 0 305.372 3.936 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c1O ZINC000125813622 1032986847 /nfs/dbraw/zinc/98/68/47/1032986847.db2.gz COADGSNDFXMKPL-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CSCCF ZINC000850474528 1021554805 /nfs/dbraw/zinc/55/48/05/1021554805.db2.gz OCYSZFSRAULHKN-LSDHHAIUSA-N 1 0 312.498 3.673 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3cccs3)C2)cc1 ZINC000850489628 1021560563 /nfs/dbraw/zinc/56/05/63/1021560563.db2.gz WDZPILASDDCKNF-CABCVRRESA-N 1 0 316.470 3.556 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(C)oc3C)C2)cc1 ZINC000850486987 1021560678 /nfs/dbraw/zinc/56/06/78/1021560678.db2.gz DWUVXXRPJSRSEX-HOCLYGCPSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3cccs3)C2)cc1 ZINC000850489635 1021560827 /nfs/dbraw/zinc/56/08/27/1021560827.db2.gz WDZPILASDDCKNF-LSDHHAIUSA-N 1 0 316.470 3.556 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000850487739 1021560935 /nfs/dbraw/zinc/56/09/35/1021560935.db2.gz JDEZQZVKZJBSMX-MAUKXSAKSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3sccc3C)C2)cc1 ZINC000850487061 1021561342 /nfs/dbraw/zinc/56/13/42/1021561342.db2.gz DYXXZXOLKSFRID-HUUCEWRRSA-N 1 0 316.470 3.995 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488936 1021561725 /nfs/dbraw/zinc/56/17/25/1021561725.db2.gz PPZYMHBTCMMNTQ-LSDHHAIUSA-N 1 0 300.402 3.526 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850505617 1021566886 /nfs/dbraw/zinc/56/68/86/1021566886.db2.gz UFEYLSPPWGPCKW-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850523083 1021574383 /nfs/dbraw/zinc/57/43/83/1021574383.db2.gz YBJHUVJQVIIQKB-ABAIWWIYSA-N 1 0 319.351 3.715 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)F)c1cc(Br)ccc1O ZINC000850531967 1021584373 /nfs/dbraw/zinc/58/43/73/1021584373.db2.gz PJZRWXQZRQXTQW-VIFPVBQESA-N 1 0 304.203 3.944 20 10 DHCDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)ccc1O ZINC000850531099 1021584401 /nfs/dbraw/zinc/58/44/01/1021584401.db2.gz AKTVYSYKGZTUBH-FZZIBODNSA-N 1 0 317.763 3.511 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccoc2)c1O ZINC000850531816 1021585050 /nfs/dbraw/zinc/58/50/50/1021585050.db2.gz OAMPMIIHYSYEOD-NSHDSACASA-N 1 0 324.218 3.949 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)c3ccccc23)c1 ZINC000850534689 1021587724 /nfs/dbraw/zinc/58/77/24/1021587724.db2.gz MVBDKPNZGIMXQP-AWEZNQCLSA-N 1 0 324.424 3.786 20 10 DHCDRO CC(C)[C@H](O)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850557892 1021603833 /nfs/dbraw/zinc/60/38/33/1021603833.db2.gz ZYFGGIDFGQTVTI-DBVUQKKJSA-N 1 0 311.425 3.727 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2SCCS2)c1O ZINC000850561525 1021605960 /nfs/dbraw/zinc/60/59/60/1021605960.db2.gz OGFJPWPPUJRORN-SECBINFHSA-N 1 0 303.880 3.811 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000850568344 1021610423 /nfs/dbraw/zinc/61/04/23/1021610423.db2.gz VVQQJLHTSAUIKC-LJQANCHMSA-N 1 0 318.505 3.952 20 10 DHCDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568168 1021610900 /nfs/dbraw/zinc/61/09/00/1021610900.db2.gz QOSZGLNMNUSZPY-RTBURBONSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568424 1021611370 /nfs/dbraw/zinc/61/13/70/1021611370.db2.gz XJFMHOLYZXATEG-GUXCAODWSA-N 1 0 316.489 3.562 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)CC2 ZINC000850570301 1021612805 /nfs/dbraw/zinc/61/28/05/1021612805.db2.gz UHNRDBOHEDGOGM-ZDUSSCGKSA-N 1 0 323.314 3.910 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(O)c1 ZINC000850574438 1021616169 /nfs/dbraw/zinc/61/61/69/1021616169.db2.gz YKNFCAWUXQMYSN-TXPKVOOTSA-N 1 0 313.441 3.824 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850583553 1021621988 /nfs/dbraw/zinc/62/19/88/1021621988.db2.gz LJSDXZVJSMFDGM-VAOGDNLBSA-N 1 0 315.388 3.791 20 10 DHCDRO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000109773306 1021745696 /nfs/dbraw/zinc/74/56/96/1021745696.db2.gz WXCDMXJRVAABMV-GFCCVEGCSA-N 1 0 318.804 3.505 20 10 DHCDRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109769061 1021746907 /nfs/dbraw/zinc/74/69/07/1021746907.db2.gz SHQNSFWCZVMQQM-UHFFFAOYSA-N 1 0 318.804 3.506 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C)c2)c(O)c1OC ZINC000893018862 1021802803 /nfs/dbraw/zinc/80/28/03/1021802803.db2.gz NPHOCABFHBMFHR-UHFFFAOYSA-N 1 0 315.413 3.743 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000746025110 1021828297 /nfs/dbraw/zinc/82/82/97/1021828297.db2.gz JXDIKRKOOOUXQF-ZDUSSCGKSA-N 1 0 311.381 3.847 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000065430258 1021887496 /nfs/dbraw/zinc/88/74/96/1021887496.db2.gz ULFQOBVLBKUOFM-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000763603781 1021935359 /nfs/dbraw/zinc/93/53/59/1021935359.db2.gz DAUGWAGDOBXDGA-QGZVFWFLSA-N 1 0 321.484 3.588 20 10 DHCDRO CC(C)[N@H+](Cc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000919957217 1021986756 /nfs/dbraw/zinc/98/67/56/1021986756.db2.gz UHRQCAPBMTURQG-UHFFFAOYSA-N 1 0 305.399 3.593 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000183223935 1022045251 /nfs/dbraw/zinc/04/52/51/1022045251.db2.gz SCKBTKBKLARNPH-FZDIXFNVSA-N 1 0 314.473 3.751 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000179661357 1022071880 /nfs/dbraw/zinc/07/18/80/1022071880.db2.gz LEHNKHYIFKLUQZ-LLVKDONJSA-N 1 0 307.340 3.872 20 10 DHCDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183425264 1022142535 /nfs/dbraw/zinc/14/25/35/1022142535.db2.gz KSOJBFPCKDABIM-AWEZNQCLSA-N 1 0 312.413 3.982 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1N(C)C ZINC000852596354 1022147380 /nfs/dbraw/zinc/14/73/80/1022147380.db2.gz LFCJBAFWWOUNDB-ICSRJNTNSA-N 1 0 316.489 3.842 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000183451602 1022148503 /nfs/dbraw/zinc/14/85/03/1022148503.db2.gz CBZWRGQPCPIKPL-LSDHHAIUSA-N 1 0 324.424 3.931 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000763620139 1022157514 /nfs/dbraw/zinc/15/75/14/1022157514.db2.gz FUNXMLWWYQALPR-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccccc1O ZINC000183514041 1022167825 /nfs/dbraw/zinc/16/78/25/1022167825.db2.gz OYOBNHCKXFHXME-FUHWJXTLSA-N 1 0 310.441 3.707 20 10 DHCDRO C[C@H](CC[NH2+][C@@H](C)c1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000183541040 1022181166 /nfs/dbraw/zinc/18/11/66/1022181166.db2.gz QMDWPXZUOFGKRC-SJORKVTESA-N 1 0 312.457 3.953 20 10 DHCDRO COc1cccc(OCCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183610553 1022209610 /nfs/dbraw/zinc/20/96/10/1022209610.db2.gz WYECGBXUNAHYIF-AWEZNQCLSA-N 1 0 301.386 3.521 20 10 DHCDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000183619923 1022213809 /nfs/dbraw/zinc/21/38/09/1022213809.db2.gz ZTOLPGJFSKJOMC-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)CCC2 ZINC000363859374 1022344990 /nfs/dbraw/zinc/34/49/90/1022344990.db2.gz FTZFIONDRDPPKH-JKSUJKDBSA-N 1 0 313.445 3.742 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000363866696 1022356166 /nfs/dbraw/zinc/35/61/66/1022356166.db2.gz PCSAIBIWJIZNEL-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854226871 1022435501 /nfs/dbraw/zinc/43/55/01/1022435501.db2.gz SAPLXXPYHGINED-MGPLVRAMSA-N 1 0 302.805 3.966 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091497 1022456520 /nfs/dbraw/zinc/45/65/20/1022456520.db2.gz UOSSCFAWVAQHKS-FUHWJXTLSA-N 1 0 312.457 3.524 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1F ZINC000740006346 1022466050 /nfs/dbraw/zinc/46/60/50/1022466050.db2.gz KPBDJBUNIBPGHG-HNNXBMFYSA-N 1 0 310.457 3.559 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000179553449 1022470379 /nfs/dbraw/zinc/47/03/79/1022470379.db2.gz OAEFNWLVUGDXBO-INIZCTEOSA-N 1 0 311.381 3.501 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1 ZINC000185576132 1022503368 /nfs/dbraw/zinc/50/33/68/1022503368.db2.gz VTTPWEFYYFNCEV-KBPBESRZSA-N 1 0 303.377 3.958 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185605857 1022506295 /nfs/dbraw/zinc/50/62/95/1022506295.db2.gz QXTTXXYKEOFBDP-GJZGRUSLSA-N 1 0 305.462 3.720 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2OC)C2CC2)c1 ZINC000179679430 1022506899 /nfs/dbraw/zinc/50/68/99/1022506899.db2.gz OHTFCBKYPBJMIL-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)CCCC2 ZINC000776769689 1022559163 /nfs/dbraw/zinc/55/91/63/1022559163.db2.gz VWYJIQWPDBIOBR-IBGZPJMESA-N 1 0 315.457 3.662 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCC(C)CC1 ZINC000756502337 1022564282 /nfs/dbraw/zinc/56/42/82/1022564282.db2.gz HCAZQKOXGSIFLW-KGLIPLIRSA-N 1 0 310.869 3.817 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1O ZINC000776809207 1022621632 /nfs/dbraw/zinc/62/16/32/1022621632.db2.gz ZUIZIQDHXVYVEF-LLVKDONJSA-N 1 0 314.410 3.861 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000767195672 1022660260 /nfs/dbraw/zinc/66/02/60/1022660260.db2.gz PGIDMKKJCBBNTQ-UXHICEINSA-N 1 0 316.489 3.828 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C)ccc1O)CCO2 ZINC000187546091 1022678555 /nfs/dbraw/zinc/67/85/55/1022678555.db2.gz UWKBYQBARALHEK-QGZVFWFLSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cc(Br)ccc1O ZINC000137415002 1022719603 /nfs/dbraw/zinc/71/96/03/1022719603.db2.gz DDCLPTXWXJPBHK-JOYOIKCWSA-N 1 0 318.280 3.947 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1O ZINC000180414515 1022724913 /nfs/dbraw/zinc/72/49/13/1022724913.db2.gz ZWTLXWGUMIQNLW-GOSISDBHSA-N 1 0 315.388 3.722 20 10 DHCDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172321778 1033088286 /nfs/dbraw/zinc/08/82/86/1033088286.db2.gz OXTYTKVOBBUTEX-DLBZAZTESA-N 1 0 304.478 3.970 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000768132708 1022901133 /nfs/dbraw/zinc/90/11/33/1022901133.db2.gz IRFKXQPZAINLOV-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1O ZINC000768230176 1022930247 /nfs/dbraw/zinc/93/02/47/1022930247.db2.gz RZZFVUITTGRKJN-SFHVURJKSA-N 1 0 311.425 3.998 20 10 DHCDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000768269343 1022935433 /nfs/dbraw/zinc/93/54/33/1022935433.db2.gz RHTDNWAPGVZNHU-CQSZACIVSA-N 1 0 313.397 3.931 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C)CCC(C)C)c1O ZINC000768262992 1022936708 /nfs/dbraw/zinc/93/67/08/1022936708.db2.gz NHORDDRDDXDSKQ-UHFFFAOYSA-N 1 0 316.239 3.641 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccc3c(c2)COC3)C2CC2)cc1 ZINC000768257179 1022937061 /nfs/dbraw/zinc/93/70/61/1022937061.db2.gz IXHZHTUJAGHJHX-UHFFFAOYSA-N 1 0 322.452 3.947 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)cc1O ZINC000857081687 1022946678 /nfs/dbraw/zinc/94/66/78/1022946678.db2.gz QDHKPYVNNOCNQM-DTWKUNHWSA-N 1 0 320.177 3.851 20 10 DHCDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1 ZINC000768465365 1022973081 /nfs/dbraw/zinc/97/30/81/1022973081.db2.gz HJTARZOGVHTBBI-GJZGRUSLSA-N 1 0 309.475 3.815 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2c(C)oc3ccccc32)c1 ZINC000768526527 1022981181 /nfs/dbraw/zinc/98/11/81/1022981181.db2.gz OSDOZXPCXVUYEY-UHFFFAOYSA-N 1 0 311.381 3.788 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(CSC)CC2)c1 ZINC000295096182 1022991484 /nfs/dbraw/zinc/99/14/84/1022991484.db2.gz SBVXIWSVGSDDPC-IYXRBSQSSA-N 1 0 309.475 3.973 20 10 DHCDRO CCC(CC)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876571474 1033095664 /nfs/dbraw/zinc/09/56/64/1033095664.db2.gz YSDGMISQBUMXMK-UHFFFAOYSA-N 1 0 316.489 3.801 20 10 DHCDRO Cc1ccc(O)c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000768913744 1023056617 /nfs/dbraw/zinc/05/66/17/1023056617.db2.gz RRJUDGHKXRLONK-NUJGCVRESA-N 1 0 302.462 3.538 20 10 DHCDRO COc1cccc(C[N@H+](C)CCCOc2ccccc2C)c1O ZINC000768921153 1023057717 /nfs/dbraw/zinc/05/77/17/1023057717.db2.gz WUMNAPXMLUWTGN-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccccc1O ZINC000759827187 1023080825 /nfs/dbraw/zinc/08/08/25/1023080825.db2.gz GSKOJDSSAOHCCE-GFCCVEGCSA-N 1 0 320.230 3.876 20 10 DHCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC000769119559 1023086165 /nfs/dbraw/zinc/08/61/65/1023086165.db2.gz CFGJPOFYESBELC-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)C(C)C ZINC000769155873 1023092845 /nfs/dbraw/zinc/09/28/45/1023092845.db2.gz YZZGPFGPWXCHJG-HNNXBMFYSA-N 1 0 308.441 3.529 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000769244758 1023108000 /nfs/dbraw/zinc/10/80/00/1023108000.db2.gz ORGZKVYQURJIIV-AZUAARDMSA-N 1 0 311.425 3.789 20 10 DHCDRO COc1ccccc1CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769332433 1023124745 /nfs/dbraw/zinc/12/47/45/1023124745.db2.gz DQLSOJNGPNYWIH-UHFFFAOYSA-N 1 0 316.420 3.575 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000769380290 1023135361 /nfs/dbraw/zinc/13/53/61/1023135361.db2.gz FWYPTWNSZMPOPD-LLVKDONJSA-N 1 0 306.431 3.667 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000769399219 1023141644 /nfs/dbraw/zinc/14/16/44/1023141644.db2.gz XZHHIJXERFDEDT-HNNXBMFYSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769405385 1023142755 /nfs/dbraw/zinc/14/27/55/1023142755.db2.gz UXWZFDKRMFYNNR-KPFFTGBYSA-N 1 0 314.473 3.676 20 10 DHCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769421686 1023145457 /nfs/dbraw/zinc/14/54/57/1023145457.db2.gz CIBCDTIEJJYYGE-QGZVFWFLSA-N 1 0 322.468 3.920 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000769481886 1023152119 /nfs/dbraw/zinc/15/21/19/1023152119.db2.gz ANRPKFDXLQNIKQ-FXAWDEMLSA-N 1 0 317.521 3.695 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464790 1023159779 /nfs/dbraw/zinc/15/97/79/1023159779.db2.gz ANVMVIRFNUYCII-ZFWWWQNUSA-N 1 0 315.388 3.918 20 10 DHCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769471642 1023163296 /nfs/dbraw/zinc/16/32/96/1023163296.db2.gz WXBWJRMFSIDTEK-KBAYOESNSA-N 1 0 303.446 3.726 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000769497794 1023165997 /nfs/dbraw/zinc/16/59/97/1023165997.db2.gz BHULPBXEVHQXMB-RDJZCZTQSA-N 1 0 311.425 3.854 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000756606206 1023166309 /nfs/dbraw/zinc/16/63/09/1023166309.db2.gz WOSKIDWVQOPBLS-MLGOLLRUSA-N 1 0 305.805 3.820 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000769502137 1023169047 /nfs/dbraw/zinc/16/90/47/1023169047.db2.gz UZPHAJZPQUBNGQ-UHFFFAOYSA-N 1 0 307.459 3.653 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000769514280 1023171100 /nfs/dbraw/zinc/17/11/00/1023171100.db2.gz IJYGEJDXUGWMCQ-SJORKVTESA-N 1 0 320.452 3.530 20 10 DHCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC000769537989 1023175956 /nfs/dbraw/zinc/17/59/56/1023175956.db2.gz OGBKQUKOKCCXPY-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)c2c1c(F)ccc2O ZINC000756624952 1023236773 /nfs/dbraw/zinc/23/67/73/1023236773.db2.gz HZAPTQOGTKCMSP-TZMCWYRMSA-N 1 0 307.409 3.612 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769986014 1023255448 /nfs/dbraw/zinc/25/54/48/1023255448.db2.gz GIRDETNIPZVADQ-GUYCJALGSA-N 1 0 304.459 3.588 20 10 DHCDRO C[N@H+](CCOCC1CCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000770290493 1023293290 /nfs/dbraw/zinc/29/32/90/1023293290.db2.gz CEFKLGKMCBLVBK-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000770331960 1023293503 /nfs/dbraw/zinc/29/35/03/1023293503.db2.gz JYNDWQKYXCZBEH-HNNXBMFYSA-N 1 0 319.445 3.644 20 10 DHCDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000770510038 1023315722 /nfs/dbraw/zinc/31/57/22/1023315722.db2.gz VURWMPZSMLUGSI-QFBILLFUSA-N 1 0 302.462 3.534 20 10 DHCDRO Oc1ccccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000770508682 1023316793 /nfs/dbraw/zinc/31/67/93/1023316793.db2.gz DLVGJEWKRVPJGD-UHFFFAOYSA-N 1 0 305.381 3.558 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749985 1023347514 /nfs/dbraw/zinc/34/75/14/1023347514.db2.gz ZIQMTPHUOPFENT-BFUOFWGJSA-N 1 0 315.388 3.626 20 10 DHCDRO Cc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(O)c1 ZINC000876776162 1033140410 /nfs/dbraw/zinc/14/04/10/1033140410.db2.gz KRKUETYNESENRQ-UHFFFAOYSA-N 1 0 309.409 3.722 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785559035 1023591026 /nfs/dbraw/zinc/59/10/26/1023591026.db2.gz KDQVCPNCJAQUSF-OXJNMPFZSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000786583214 1023708829 /nfs/dbraw/zinc/70/88/29/1023708829.db2.gz OYRJKUHZAUJVAM-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1C ZINC000786581326 1023708847 /nfs/dbraw/zinc/70/88/47/1023708847.db2.gz HNSYPOPEHYCZMC-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000786831204 1023728051 /nfs/dbraw/zinc/72/80/51/1023728051.db2.gz RXDRORXTHDMXER-UZLBHIALSA-N 1 0 312.457 3.927 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1 ZINC000786824602 1023732066 /nfs/dbraw/zinc/73/20/66/1023732066.db2.gz XEWZYUGNIWJRFH-HNNXBMFYSA-N 1 0 318.383 3.590 20 10 DHCDRO CO[C@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000786952270 1023739910 /nfs/dbraw/zinc/73/99/10/1023739910.db2.gz ZSLVKKANGUKMEU-QPUJVOFHSA-N 1 0 311.731 3.664 20 10 DHCDRO CO[C@H](CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000786949083 1023740614 /nfs/dbraw/zinc/74/06/14/1023740614.db2.gz IBRWXVIYNHEAJC-PTOFAABTSA-N 1 0 321.314 3.637 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000787279678 1023780211 /nfs/dbraw/zinc/78/02/11/1023780211.db2.gz NYNCLWWCJPBLAZ-QGZVFWFLSA-N 1 0 324.468 3.936 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787417502 1023790762 /nfs/dbraw/zinc/79/07/62/1023790762.db2.gz OCWQLDGDGWGAGJ-AWEZNQCLSA-N 1 0 300.368 3.915 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000746717648 1023834230 /nfs/dbraw/zinc/83/42/30/1023834230.db2.gz YQRVHNRZLSXFNW-QGZVFWFLSA-N 1 0 304.393 3.930 20 10 DHCDRO FC(F)Oc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000788069900 1023849174 /nfs/dbraw/zinc/84/91/74/1023849174.db2.gz DVFKYWTWIKNFPI-UHFFFAOYSA-N 1 0 319.351 3.555 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796800957 1023857302 /nfs/dbraw/zinc/85/73/02/1023857302.db2.gz XGXSXZUPCSQICW-SJORKVTESA-N 1 0 309.425 3.903 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccccc1O ZINC000788260242 1023867162 /nfs/dbraw/zinc/86/71/62/1023867162.db2.gz XFJWBJQIRQSMQF-CVEARBPZSA-N 1 0 301.434 3.606 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000788621570 1023915413 /nfs/dbraw/zinc/91/54/13/1023915413.db2.gz MEVWDWPAEZZOJF-BKTGTZMESA-N 1 0 317.404 3.940 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1 ZINC000788752362 1023929058 /nfs/dbraw/zinc/92/90/58/1023929058.db2.gz VMRKNYMGRRUNLR-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1 ZINC000788758418 1023929804 /nfs/dbraw/zinc/92/98/04/1023929804.db2.gz PPGRQZJDWFHSDJ-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO CCC(CC)(C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(=O)OC ZINC000788738983 1023933737 /nfs/dbraw/zinc/93/37/37/1023933737.db2.gz MJDOTBVKRZWYCY-AWEZNQCLSA-N 1 0 307.434 3.639 20 10 DHCDRO OC1CCN(c2ccc(C[NH2+]CCCC3CCCC3)cc2)CC1 ZINC000876878748 1033174114 /nfs/dbraw/zinc/17/41/14/1033174114.db2.gz ARNQZGXOVXQNKV-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000788988490 1023960189 /nfs/dbraw/zinc/96/01/89/1023960189.db2.gz RGRXYKNOFYREDW-MISYRCLQSA-N 1 0 316.489 3.746 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000876885199 1033175924 /nfs/dbraw/zinc/17/59/24/1033175924.db2.gz MWLUEKURQMRPCT-MRXNPFEDSA-N 1 0 316.470 3.689 20 10 DHCDRO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)O1 ZINC000789306483 1024041854 /nfs/dbraw/zinc/04/18/54/1024041854.db2.gz OYADKLYAJXCICS-LPHOPBHVSA-N 1 0 302.462 3.676 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000789386794 1024054731 /nfs/dbraw/zinc/05/47/31/1024054731.db2.gz HEWLHRXAFVFUCJ-QRWLVFNGSA-N 1 0 312.457 3.699 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c(O)c1 ZINC000876909974 1033180605 /nfs/dbraw/zinc/18/06/05/1033180605.db2.gz NZZJWRCXTIFYON-UHFFFAOYSA-N 1 0 312.413 3.585 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC=C(c3ccccc3)C2)c1O ZINC000789544815 1024111674 /nfs/dbraw/zinc/11/16/74/1024111674.db2.gz DVJUQXWENCXRPC-UHFFFAOYSA-N 1 0 309.409 3.999 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130365230 1024155731 /nfs/dbraw/zinc/15/57/31/1024155731.db2.gz QFAFIIMDIDQTMW-MOPGFXCFSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000268797860 1024163648 /nfs/dbraw/zinc/16/36/48/1024163648.db2.gz JCCBYKINXMITCT-CYBMUJFWSA-N 1 0 314.458 3.703 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1O ZINC000756852102 1024175503 /nfs/dbraw/zinc/17/55/03/1024175503.db2.gz XNWDSYNVTLMLFR-WCBMZHEXSA-N 1 0 320.177 3.993 20 10 DHCDRO Cc1cc(C[N@H+](C)CCCn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000130591256 1024189850 /nfs/dbraw/zinc/18/98/50/1024189850.db2.gz NDYWUHSTOBQWJJ-UHFFFAOYSA-N 1 0 315.461 3.717 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000268943479 1024198736 /nfs/dbraw/zinc/19/87/36/1024198736.db2.gz AQDFIMXTDXERLW-HRCADAONSA-N 1 0 322.468 3.874 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCc3cccc(C)c3)CC2)cc1 ZINC000130744360 1024208586 /nfs/dbraw/zinc/20/85/86/1024208586.db2.gz GEZVCGBRXSEBPV-UHFFFAOYSA-N 1 0 324.468 3.805 20 10 DHCDRO COc1ccc(N2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC000130745509 1024209966 /nfs/dbraw/zinc/20/99/66/1024209966.db2.gz NTOVXOSDYBGGAJ-UHFFFAOYSA-N 1 0 316.367 3.550 20 10 DHCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000130790989 1024216775 /nfs/dbraw/zinc/21/67/75/1024216775.db2.gz LTAINFILLQBUGI-UHFFFAOYSA-N 1 0 316.470 3.685 20 10 DHCDRO CC(C)=CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000790698052 1024356868 /nfs/dbraw/zinc/35/68/68/1024356868.db2.gz MSQZKZOTGRSLGY-CQSZACIVSA-N 1 0 308.853 3.793 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000790964795 1024406389 /nfs/dbraw/zinc/40/63/89/1024406389.db2.gz LLBVEQSERZVXGA-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2O ZINC000883381236 1024413849 /nfs/dbraw/zinc/41/38/49/1024413849.db2.gz JHYXXEFIORAZBB-RISCZKNCSA-N 1 0 305.393 3.628 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)sn1 ZINC000877024756 1033209528 /nfs/dbraw/zinc/20/95/28/1033209528.db2.gz NNCVYMNZUOAXDV-UHFFFAOYSA-N 1 0 315.486 3.978 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1C ZINC000790995101 1024415143 /nfs/dbraw/zinc/41/51/43/1024415143.db2.gz LGLSVZFEULDEPF-KRWDZBQOSA-N 1 0 303.446 3.981 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883383296 1024417747 /nfs/dbraw/zinc/41/77/47/1024417747.db2.gz WMVZAGVPXNBWSC-AEFFLSMTSA-N 1 0 315.388 3.906 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000132147836 1024455117 /nfs/dbraw/zinc/45/51/17/1024455117.db2.gz MGRIMJSKVGDTKK-LLVKDONJSA-N 1 0 323.443 3.884 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC000271158710 1024464393 /nfs/dbraw/zinc/46/43/93/1024464393.db2.gz DVSGVLPYEZNTFW-CYBMUJFWSA-N 1 0 301.361 3.529 20 10 DHCDRO CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172457134 1033213924 /nfs/dbraw/zinc/21/39/24/1033213924.db2.gz LJOHYEQMFGEBRC-QGZVFWFLSA-N 1 0 304.478 3.828 20 10 DHCDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C1CCCC1 ZINC000791459730 1024506490 /nfs/dbraw/zinc/50/64/90/1024506490.db2.gz UVYWHKQTNDGGKJ-HXUWFJFHSA-N 1 0 311.425 3.870 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443306 1024506984 /nfs/dbraw/zinc/50/69/84/1024506984.db2.gz GVDLWOUNTKXBLE-RBUKOAKNSA-N 1 0 316.420 3.666 20 10 DHCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271515591 1024529306 /nfs/dbraw/zinc/52/93/06/1024529306.db2.gz UAGCGJVUVBVBJT-IAGOWNOFSA-N 1 0 312.461 3.613 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545147 1024535677 /nfs/dbraw/zinc/53/56/77/1024535677.db2.gz ZBFKENDSPDFYGU-KUHUBIRLSA-N 1 0 316.420 3.666 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825933573 1033222520 /nfs/dbraw/zinc/22/25/20/1033222520.db2.gz ADWQVHLRCXUVEZ-NSHDSACASA-N 1 0 321.804 3.919 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696193 1024635308 /nfs/dbraw/zinc/63/53/08/1024635308.db2.gz RWZUYMYNNQYSBD-WMLDXEAASA-N 1 0 308.441 3.694 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000792179393 1024642951 /nfs/dbraw/zinc/64/29/51/1024642951.db2.gz GWFMULDPQYTNLP-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713726 1024767619 /nfs/dbraw/zinc/76/76/19/1024767619.db2.gz BVSIHUKQWMVJOS-SCLBCKFNSA-N 1 0 314.477 3.905 20 10 DHCDRO Cc1cc(O)c(CNc2cc[nH+]c(C)c2Br)cc1C ZINC000792692862 1024783844 /nfs/dbraw/zinc/78/38/44/1024783844.db2.gz VAUIZKAQDFXSLI-UHFFFAOYSA-N 1 0 321.218 3.509 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000877127386 1033247275 /nfs/dbraw/zinc/24/72/75/1033247275.db2.gz GBXXTIACHQPKFV-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1SC ZINC000793233956 1024947620 /nfs/dbraw/zinc/94/76/20/1024947620.db2.gz XASWZMVTXKSJDB-UHFFFAOYSA-N 1 0 303.427 3.755 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2cccc(C)n2)cc1F ZINC000793203160 1024953779 /nfs/dbraw/zinc/95/37/79/1024953779.db2.gz SOIKGIKPSRNOBH-UHFFFAOYSA-N 1 0 315.436 3.708 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000134227369 1025026478 /nfs/dbraw/zinc/02/64/78/1025026478.db2.gz QUMYCRJOBZIZHY-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000793567448 1025104096 /nfs/dbraw/zinc/10/40/96/1025104096.db2.gz XRJSHORMVAZALW-OAHLLOKOSA-N 1 0 319.836 3.819 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000793620454 1025135119 /nfs/dbraw/zinc/13/51/19/1025135119.db2.gz PGFQZDGDPKHFMY-IBGZPJMESA-N 1 0 320.452 3.674 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)cc1O ZINC000279902777 1025311433 /nfs/dbraw/zinc/31/14/33/1025311433.db2.gz HERCZYIAQROITL-NXEZZACHSA-N 1 0 316.264 3.558 20 10 DHCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877313456 1033279767 /nfs/dbraw/zinc/27/97/67/1033279767.db2.gz UIXSSTDMAKZQDK-KRWDZBQOSA-N 1 0 316.489 3.516 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](CC1=NOCC1)Cc1ccccc1O ZINC001168244936 1025385605 /nfs/dbraw/zinc/38/56/05/1025385605.db2.gz VKYAHPDXWFDQFI-HNNXBMFYSA-N 1 0 310.397 3.732 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885940675 1025412089 /nfs/dbraw/zinc/41/20/89/1025412089.db2.gz OWEZCRFPMYDJHP-QUCCMNQESA-N 1 0 314.473 3.535 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C)cc1O ZINC000279923706 1025433887 /nfs/dbraw/zinc/43/38/87/1025433887.db2.gz AHUWXRBVYBNGRW-QGZVFWFLSA-N 1 0 309.413 3.632 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877337184 1033285637 /nfs/dbraw/zinc/28/56/37/1033285637.db2.gz RFYIDJALDBGNGD-MJGOQNOKSA-N 1 0 315.388 3.850 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000129619282 1025625323 /nfs/dbraw/zinc/62/53/23/1025625323.db2.gz FGUGFPFYJUSKFO-MRXNPFEDSA-N 1 0 300.446 3.610 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c([O-])cccc1F ZINC000886535368 1025683601 /nfs/dbraw/zinc/68/36/01/1025683601.db2.gz ZHCIZTRXRXWTBZ-CQSZACIVSA-N 1 0 320.452 3.979 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000236931270 1025756277 /nfs/dbraw/zinc/75/62/77/1025756277.db2.gz IOYMWGRODZVMBO-INIZCTEOSA-N 1 0 312.457 3.959 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132717 1025779670 /nfs/dbraw/zinc/77/96/70/1025779670.db2.gz YYYXNOGWZJCEAN-CJNGLKHVSA-N 1 0 310.869 3.818 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168879 1025826130 /nfs/dbraw/zinc/82/61/30/1025826130.db2.gz DPKYSSAAVUPJQG-CXAGYDPISA-N 1 0 306.425 3.502 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000886776487 1025893376 /nfs/dbraw/zinc/89/33/76/1025893376.db2.gz IAHDMZOWKNIJRD-KSSFIOAISA-N 1 0 319.445 3.791 20 10 DHCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOC2(CCC2)C1 ZINC000886777014 1025898315 /nfs/dbraw/zinc/89/83/15/1025898315.db2.gz VXYVXQGKHLPAJI-CRAIPNDOSA-N 1 0 301.430 3.709 20 10 DHCDRO COc1c(C)cccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826535511 1026106804 /nfs/dbraw/zinc/10/68/04/1026106804.db2.gz YSVQQTYRHKRYSW-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(OC)c2O)s1 ZINC000093612540 1026117985 /nfs/dbraw/zinc/11/79/85/1026117985.db2.gz GRMNIIPNDUDYEG-GFCCVEGCSA-N 1 0 320.458 3.921 20 10 DHCDRO CCCOc1ccc(C[N@H+](CC)CCc2nccs2)c(O)c1 ZINC000093764636 1026124327 /nfs/dbraw/zinc/12/43/27/1026124327.db2.gz HIWPVRYYQWSDBT-UHFFFAOYSA-N 1 0 320.458 3.702 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000093769047 1026126635 /nfs/dbraw/zinc/12/66/35/1026126635.db2.gz HJIQAJRQSCZMRF-GUYCJALGSA-N 1 0 303.427 3.724 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(F)cc2)c1 ZINC000237032749 1026142003 /nfs/dbraw/zinc/14/20/03/1026142003.db2.gz JBTXIZISSUOBHE-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000289811692 1026185082 /nfs/dbraw/zinc/18/50/82/1026185082.db2.gz SXFOHSOWZGTJMO-AABGKKOBSA-N 1 0 323.436 3.705 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289868466 1026208700 /nfs/dbraw/zinc/20/87/00/1026208700.db2.gz RHXUVTUSUBAUGN-UGSOOPFHSA-N 1 0 317.454 3.901 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC001204931510 1026296805 /nfs/dbraw/zinc/29/68/05/1026296805.db2.gz YRSVOQQDGDAJBO-UHFFFAOYSA-N 1 0 303.352 3.878 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1O ZINC000894196740 1026341139 /nfs/dbraw/zinc/34/11/39/1026341139.db2.gz AMENUFPEZLSTPR-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1O ZINC000808679870 1026347768 /nfs/dbraw/zinc/34/77/68/1026347768.db2.gz CNTHUDWMHOERKM-MZPVMMEZSA-N 1 0 317.816 3.663 20 10 DHCDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808679897 1026348264 /nfs/dbraw/zinc/34/82/64/1026348264.db2.gz DORVKZFPRMATEZ-IAGOWNOFSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)c1O ZINC000808672621 1026354528 /nfs/dbraw/zinc/35/45/28/1026354528.db2.gz CSXPZVJDWPNWLV-CYBMUJFWSA-N 1 0 310.869 3.879 20 10 DHCDRO COc1ncccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808675820 1026354618 /nfs/dbraw/zinc/35/46/18/1026354618.db2.gz UFLNUGLAHGXQSG-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O ZINC000808711006 1026359652 /nfs/dbraw/zinc/35/96/52/1026359652.db2.gz ZSAWVNWXQUPVNW-BHADISHBSA-N 1 0 321.848 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1O ZINC000808709490 1026360773 /nfs/dbraw/zinc/36/07/73/1026360773.db2.gz WUJJFLNDDDFZPX-GFCCVEGCSA-N 1 0 319.836 3.666 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)c2ccco2)c1O ZINC000808715289 1026363333 /nfs/dbraw/zinc/36/33/33/1026363333.db2.gz TZFBIUFWBCFTQT-BXUZGUMPSA-N 1 0 309.793 3.721 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccsc2)c1O ZINC000808715848 1026364918 /nfs/dbraw/zinc/36/49/18/1026364918.db2.gz XQZVSJZNQSNGPS-IINYFYTJSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)c1O ZINC000808715847 1026365345 /nfs/dbraw/zinc/36/53/45/1026365345.db2.gz XQZVSJZNQSNGPS-HZMBPMFUSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn3ccccc23)c1O ZINC000808718063 1026365797 /nfs/dbraw/zinc/36/57/97/1026365797.db2.gz KNQDLYYAWRVONO-GFCCVEGCSA-N 1 0 315.804 3.853 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)c1O ZINC000808701411 1026375687 /nfs/dbraw/zinc/37/56/87/1026375687.db2.gz XEXFWSIJZDMKIE-MJEQTWJJSA-N 1 0 311.853 3.946 20 10 DHCDRO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC000808729997 1026383274 /nfs/dbraw/zinc/38/32/74/1026383274.db2.gz RCXRWPIJQXPMDH-SUMWQHHRSA-N 1 0 314.404 3.546 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)c(O)c1 ZINC000809658467 1026584440 /nfs/dbraw/zinc/58/44/40/1026584440.db2.gz ODUPOPLXVPUURC-LBPRGKRZSA-N 1 0 321.367 3.790 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280089888 1026586726 /nfs/dbraw/zinc/58/67/26/1026586726.db2.gz MHRIICNWWDHAIA-FUHWJXTLSA-N 1 0 303.377 3.614 20 10 DHCDRO Cc1cc(O)c(CN(CC[NH+](C)C)Cc2ccccc2)cc1C ZINC000809727991 1026595460 /nfs/dbraw/zinc/59/54/60/1026595460.db2.gz GFWQWUXSYIDGDN-UHFFFAOYSA-N 1 0 312.457 3.573 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2c(F)cccc2SC)c1 ZINC000809688431 1026595714 /nfs/dbraw/zinc/59/57/14/1026595714.db2.gz ALTIVGYWULGRHO-UHFFFAOYSA-N 1 0 307.390 3.552 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(CC)CC)cc1)C2 ZINC000809707129 1026600303 /nfs/dbraw/zinc/60/03/03/1026600303.db2.gz CWYHKZVKGGYXPC-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000809713572 1026602300 /nfs/dbraw/zinc/60/23/00/1026602300.db2.gz UAQGPRSJYVOABS-UONOGXRCSA-N 1 0 310.235 3.823 20 10 DHCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cc(C)ccc2O)c1 ZINC000809741776 1026612926 /nfs/dbraw/zinc/61/29/26/1026612926.db2.gz WAWGMUNDBFRUID-UHFFFAOYSA-N 1 0 312.457 3.573 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1O ZINC000809764538 1026620945 /nfs/dbraw/zinc/62/09/45/1026620945.db2.gz JUKGJIQGVQSBMJ-UHFFFAOYSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1O ZINC000809786846 1026625543 /nfs/dbraw/zinc/62/55/43/1026625543.db2.gz MPGQRFSGOKLBPQ-YVEFUNNKSA-N 1 0 305.805 3.566 20 10 DHCDRO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)CC(C)C ZINC000768335254 1026697817 /nfs/dbraw/zinc/69/78/17/1026697817.db2.gz KRXBZLGZKPSONV-UHFFFAOYSA-N 1 0 316.239 3.641 20 10 DHCDRO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000810178739 1026699917 /nfs/dbraw/zinc/69/99/17/1026699917.db2.gz VLENRGKJDMNSDG-IBGZPJMESA-N 1 0 311.425 3.700 20 10 DHCDRO CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810217497 1026709373 /nfs/dbraw/zinc/70/93/73/1026709373.db2.gz FOEKNHUVIKZVJQ-CYBMUJFWSA-N 1 0 317.351 3.757 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217592 1026710164 /nfs/dbraw/zinc/71/01/64/1026710164.db2.gz HYNOGSQZHFBKLX-DZGCQCFKSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228162 1026713214 /nfs/dbraw/zinc/71/32/14/1026713214.db2.gz COXLTDUHAHRKPC-SMDDNHRTSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227641 1026713951 /nfs/dbraw/zinc/71/39/51/1026713951.db2.gz GRRKLWZJLCWFRN-YRGRVCCFSA-N 1 0 317.351 3.755 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810210798 1026718985 /nfs/dbraw/zinc/71/89/85/1026718985.db2.gz DVXQVJVXCTUTTJ-BXUZGUMPSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238202 1026725126 /nfs/dbraw/zinc/72/51/26/1026725126.db2.gz OFDBFBRTSDNVLF-BPNCWPANSA-N 1 0 317.351 3.877 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cscc2C(F)(F)F)c1O ZINC000811506909 1027023940 /nfs/dbraw/zinc/02/39/40/1027023940.db2.gz KEQNUMNKZQDEBX-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)c1c(F)cccc1F ZINC000271850171 1027161145 /nfs/dbraw/zinc/16/11/45/1027161145.db2.gz SXKNFPHEXVAPEC-MAUKXSAKSA-N 1 0 321.367 3.581 20 10 DHCDRO Cc1cnc(CNCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000295294541 1027183764 /nfs/dbraw/zinc/18/37/64/1027183764.db2.gz XGBVRPVPULTHBW-UHFFFAOYSA-N 1 0 315.486 3.978 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000828576519 1027205141 /nfs/dbraw/zinc/20/51/41/1027205141.db2.gz NCEYNBUMTVJLIQ-DLBZAZTESA-N 1 0 316.489 3.780 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1C ZINC001170668390 1027212822 /nfs/dbraw/zinc/21/28/22/1027212822.db2.gz HKYBYSQCAYCBOP-INIZCTEOSA-N 1 0 317.379 3.929 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000798936593 1027333286 /nfs/dbraw/zinc/33/32/86/1027333286.db2.gz CHNBSVOBPYQLHO-DOTOQJQBSA-N 1 0 304.478 3.592 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C(C)C)C3CC3)cc2)CC1 ZINC000295591280 1027348730 /nfs/dbraw/zinc/34/87/30/1027348730.db2.gz SVAWCGGLVIEDCW-UHFFFAOYSA-N 1 0 302.462 3.675 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811481 1027439900 /nfs/dbraw/zinc/43/99/00/1027439900.db2.gz ACKAQQLBMTZZEJ-HOTGVXAUSA-N 1 0 301.430 3.851 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CSc3ccccc32)c1O ZINC000894280058 1027487385 /nfs/dbraw/zinc/48/73/85/1027487385.db2.gz GNCFGXBFNFMEAZ-AWEZNQCLSA-N 1 0 301.411 3.646 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296152421 1027559762 /nfs/dbraw/zinc/55/97/62/1027559762.db2.gz WTQSAQFEGQEXMK-KRWDZBQOSA-N 1 0 321.424 3.718 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(CO)cc2)cc1 ZINC000778932995 1027601042 /nfs/dbraw/zinc/60/10/42/1027601042.db2.gz GLTXFHZTWKWFRB-UHFFFAOYSA-N 1 0 312.457 3.657 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(CO)cc1)Cc1ccc(N(C)C)cc1 ZINC000778939703 1027607797 /nfs/dbraw/zinc/60/77/97/1027607797.db2.gz ONUUKKIQPXFODE-UHFFFAOYSA-N 1 0 312.457 3.656 20 10 DHCDRO COc1ncc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1Cl ZINC000296409791 1027628887 /nfs/dbraw/zinc/62/88/87/1027628887.db2.gz KURSUMBLOZYOTC-LBPRGKRZSA-N 1 0 320.820 3.917 20 10 DHCDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000296633478 1027691697 /nfs/dbraw/zinc/69/16/97/1027691697.db2.gz BOENPXLERXLWAT-KBPBESRZSA-N 1 0 322.449 3.736 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000813861352 1027733625 /nfs/dbraw/zinc/73/36/25/1027733625.db2.gz RGUYQCZOWXDZHE-XNJGSVPQSA-N 1 0 324.415 3.891 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159157829 1027740022 /nfs/dbraw/zinc/74/00/22/1027740022.db2.gz FBGPIEQWZYGJGY-AEFFLSMTSA-N 1 0 304.478 3.879 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159157687 1027740326 /nfs/dbraw/zinc/74/03/26/1027740326.db2.gz FBGPIEQWZYGJGY-FUHWJXTLSA-N 1 0 304.478 3.879 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000778996027 1027747159 /nfs/dbraw/zinc/74/71/59/1027747159.db2.gz KJHGJQIDDVDBOE-MRXNPFEDSA-N 1 0 303.402 3.821 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1O ZINC000364380892 1027816317 /nfs/dbraw/zinc/81/63/17/1027816317.db2.gz SLLXFDDIRKBGDH-WBVHZDCISA-N 1 0 313.445 3.768 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H](C)CO1 ZINC000779021303 1027870665 /nfs/dbraw/zinc/87/06/65/1027870665.db2.gz YOXPUEDBDDUDHM-IFXJQAMLSA-N 1 0 315.388 3.802 20 10 DHCDRO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)cn1 ZINC000527840792 1027917124 /nfs/dbraw/zinc/91/71/24/1027917124.db2.gz JEOHMPZNKIZKDS-KRWDZBQOSA-N 1 0 318.804 3.690 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccccc3)C1)OCO2 ZINC000814226409 1027961438 /nfs/dbraw/zinc/96/14/38/1027961438.db2.gz WMXJNWGCNPERDW-OAHLLOKOSA-N 1 0 311.381 3.501 20 10 DHCDRO COCCC1CC[NH+]([C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000527933805 1027993444 /nfs/dbraw/zinc/99/34/44/1027993444.db2.gz IGNJQVSQWYVTDS-IUODEOHRSA-N 1 0 307.409 3.828 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2c1c(F)ccc2O ZINC000528004098 1028031848 /nfs/dbraw/zinc/03/18/48/1028031848.db2.gz VDEFZUAQBJEKND-XPKDYRNWSA-N 1 0 318.436 3.686 20 10 DHCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000367467428 1028189540 /nfs/dbraw/zinc/18/95/40/1028189540.db2.gz OMARRLBKCNDMFC-INIZCTEOSA-N 1 0 321.424 3.659 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc2c(cc1O)CCCC2 ZINC000779080155 1028189934 /nfs/dbraw/zinc/18/99/34/1028189934.db2.gz TWOVWRJSHQMQRC-BBRMVZONSA-N 1 0 303.446 3.879 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)c(C)c1 ZINC001170765133 1028205412 /nfs/dbraw/zinc/20/54/12/1028205412.db2.gz RFVMEFRRPDQNPF-VBUUOAMHSA-N 1 0 314.473 3.560 20 10 DHCDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(F)ccc1O ZINC000367705126 1028228342 /nfs/dbraw/zinc/22/83/42/1028228342.db2.gz GRNLMXSCWQFZMT-ZDUSSCGKSA-N 1 0 300.377 3.699 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000367718090 1028229790 /nfs/dbraw/zinc/22/97/90/1028229790.db2.gz FFWVAHKBERLSIV-AWEZNQCLSA-N 1 0 305.809 3.723 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(C(F)(F)F)cc1O ZINC000810220049 1028257035 /nfs/dbraw/zinc/25/70/35/1028257035.db2.gz ZXUCXLKDPOYSAC-WCQYABFASA-N 1 0 305.340 3.877 20 10 DHCDRO COC1(CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)CCC1 ZINC000815019940 1028329319 /nfs/dbraw/zinc/32/93/19/1028329319.db2.gz WCHAFIUQPWRIOO-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000368327882 1028335187 /nfs/dbraw/zinc/33/51/87/1028335187.db2.gz NFPXSAUQAXRWRP-NHYWBVRUSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815080547 1028352081 /nfs/dbraw/zinc/35/20/81/1028352081.db2.gz SMMYKPVECAGUPX-MJGOQNOKSA-N 1 0 316.489 3.700 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c(O)c1 ZINC000368523633 1028367056 /nfs/dbraw/zinc/36/70/56/1028367056.db2.gz VNCFYXSMJJGQGT-YOEHRIQHSA-N 1 0 312.413 3.612 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccncc3)cc2)c1 ZINC000368595530 1028381764 /nfs/dbraw/zinc/38/17/64/1028381764.db2.gz STJFOAPRBGSBTB-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000188060399 1028494030 /nfs/dbraw/zinc/49/40/30/1028494030.db2.gz AQJCFGZVTLNLTD-QGZVFWFLSA-N 1 0 316.489 3.880 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815582694 1028554117 /nfs/dbraw/zinc/55/41/17/1028554117.db2.gz MXOFFTSHSZFCNY-PKOBYXMFSA-N 1 0 313.441 3.817 20 10 DHCDRO CCc1cnc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000815584735 1028556203 /nfs/dbraw/zinc/55/62/03/1028556203.db2.gz NMQKRAYZKGYNSG-CYBMUJFWSA-N 1 0 304.459 3.921 20 10 DHCDRO CSc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)ccn1 ZINC000815589687 1028559573 /nfs/dbraw/zinc/55/95/73/1028559573.db2.gz AJHCNFGWYAGAFZ-CYBMUJFWSA-N 1 0 302.443 3.977 20 10 DHCDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(F)ccc1O)CC3 ZINC000779164880 1028561160 /nfs/dbraw/zinc/56/11/60/1028561160.db2.gz APGVXFXFHASGCY-HNNXBMFYSA-N 1 0 324.399 3.968 20 10 DHCDRO COc1ccc(CC(C)(C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000189453243 1028581260 /nfs/dbraw/zinc/58/12/60/1028581260.db2.gz SCQTVEPLPBUZFJ-UHFFFAOYSA-N 1 0 315.413 3.520 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cc[nH]c(=O)c1 ZINC000815643164 1028589581 /nfs/dbraw/zinc/58/95/81/1028589581.db2.gz VONGIPHOIDKXFS-NRUUGDAUSA-N 1 0 302.349 3.531 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cc[nH]c(=O)c1 ZINC000815643163 1028589964 /nfs/dbraw/zinc/58/99/64/1028589964.db2.gz VONGIPHOIDKXFS-GIPNMCIBSA-N 1 0 302.349 3.531 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815641136 1028590225 /nfs/dbraw/zinc/59/02/25/1028590225.db2.gz QOAWFPGVHHYHIP-OTYXRUKQSA-N 1 0 304.365 3.728 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(C)cc1O ZINC000815648463 1028593088 /nfs/dbraw/zinc/59/30/88/1028593088.db2.gz NFHSHISBRRNEIG-AEFFLSMTSA-N 1 0 305.462 3.930 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000815651222 1028594711 /nfs/dbraw/zinc/59/47/11/1028594711.db2.gz NYCBEGVDUSVLAN-KXBFYZLASA-N 1 0 302.462 3.753 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000370553194 1028617782 /nfs/dbraw/zinc/61/77/82/1028617782.db2.gz CAHPKHOCRZUOSA-WBVHZDCISA-N 1 0 324.424 3.867 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCCCC2)cc1 ZINC000370662699 1028630813 /nfs/dbraw/zinc/63/08/13/1028630813.db2.gz NNQFTVAVLZOLIR-YJBOKZPZSA-N 1 0 324.472 3.608 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597181 1028874697 /nfs/dbraw/zinc/87/46/97/1028874697.db2.gz XUJIVPPEFIDESN-AEFFLSMTSA-N 1 0 313.445 3.994 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000372595040 1028875991 /nfs/dbraw/zinc/87/59/91/1028875991.db2.gz OVLKJTMUCCPYMP-HKUYNNGSSA-N 1 0 313.397 3.622 20 10 DHCDRO CCc1nocc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000816487269 1028892660 /nfs/dbraw/zinc/89/26/60/1028892660.db2.gz IBLDMAZOCODGED-UHFFFAOYSA-N 1 0 301.434 3.714 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3ccsc3C)CC2)cc1F ZINC000816520146 1028905339 /nfs/dbraw/zinc/90/53/39/1028905339.db2.gz HNFFNLIECMHTFK-UHFFFAOYSA-N 1 0 320.433 3.526 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc2ccccc21 ZINC000816532453 1028924133 /nfs/dbraw/zinc/92/41/33/1028924133.db2.gz HWFKTKHGEXIGGG-QGZVFWFLSA-N 1 0 305.377 3.639 20 10 DHCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)Nc1ccccc1 ZINC000816549509 1028930451 /nfs/dbraw/zinc/93/04/51/1028930451.db2.gz PZAKTPDWCRJSGJ-UHFFFAOYSA-N 1 0 320.392 3.664 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(F)c1 ZINC000816556450 1028943039 /nfs/dbraw/zinc/94/30/39/1028943039.db2.gz JGYRRRGEGQSAGL-UHFFFAOYSA-N 1 0 311.356 3.983 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560477 1028943780 /nfs/dbraw/zinc/94/37/80/1028943780.db2.gz PZEXEYQYYOJPAV-LJQANCHMSA-N 1 0 311.425 3.936 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1ccc2ccccc2c1O)C(=O)OC ZINC000816565141 1028946381 /nfs/dbraw/zinc/94/63/81/1028946381.db2.gz CVFCELXZWSQQIP-UHFFFAOYSA-N 1 0 315.413 3.614 20 10 DHCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc3ccccc3c2O)cc1 ZINC000816567300 1028947430 /nfs/dbraw/zinc/94/74/30/1028947430.db2.gz WMQTTWJJUXQOCS-UHFFFAOYSA-N 1 0 321.420 3.848 20 10 DHCDRO Cc1sccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569436 1028948717 /nfs/dbraw/zinc/94/87/17/1028948717.db2.gz LOTVKWATJHFLCW-UHFFFAOYSA-N 1 0 304.459 3.633 20 10 DHCDRO C[C@](O)(CC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816574745 1028952886 /nfs/dbraw/zinc/95/28/86/1028952886.db2.gz QTYHLLYVAYLOAB-NRFANRHFSA-N 1 0 321.420 3.933 20 10 DHCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CCCC1 ZINC000816598541 1028957574 /nfs/dbraw/zinc/95/75/74/1028957574.db2.gz GQENDSDHMUMKRS-MRXNPFEDSA-N 1 0 313.441 3.824 20 10 DHCDRO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816608979 1028960555 /nfs/dbraw/zinc/96/05/55/1028960555.db2.gz OWBKSGCEXYNDHD-YJBOKZPZSA-N 1 0 310.441 3.604 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)c(Cl)c1 ZINC000817411827 1029152441 /nfs/dbraw/zinc/15/24/41/1029152441.db2.gz WIYINCFFUNFPAC-LBPRGKRZSA-N 1 0 311.878 3.977 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)c(Cl)c1 ZINC000817411826 1029152945 /nfs/dbraw/zinc/15/29/45/1029152945.db2.gz WIYINCFFUNFPAC-GFCCVEGCSA-N 1 0 311.878 3.977 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)c1O ZINC000817419829 1029154235 /nfs/dbraw/zinc/15/42/35/1029154235.db2.gz KRESHRMOMSLDME-UHFFFAOYSA-N 1 0 322.840 3.551 20 10 DHCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000155431912 1029234410 /nfs/dbraw/zinc/23/44/10/1029234410.db2.gz RVSIBEFWENWEQU-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817938475 1029282062 /nfs/dbraw/zinc/28/20/62/1029282062.db2.gz LDEDVBCNBZKDLJ-RBUKOAKNSA-N 1 0 315.436 3.632 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817940266 1029282522 /nfs/dbraw/zinc/28/25/22/1029282522.db2.gz FCYIJLZAFHMYEL-IRXDYDNUSA-N 1 0 303.475 3.555 20 10 DHCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1csc(Cl)c1 ZINC000817940738 1029282745 /nfs/dbraw/zinc/28/27/45/1029282745.db2.gz HPEHQGPMOKYBKI-IAQYHMDHSA-N 1 0 323.893 3.818 20 10 DHCDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940010 1029283268 /nfs/dbraw/zinc/28/32/68/1029283268.db2.gz DTOJPNWGEQWTLM-LIRRHRJNSA-N 1 0 315.436 3.551 20 10 DHCDRO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817939669 1029283489 /nfs/dbraw/zinc/28/34/89/1029283489.db2.gz AJTRJFYRPUYJIU-AWEZNQCLSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1[O-] ZINC000817947535 1029287845 /nfs/dbraw/zinc/28/78/45/1029287845.db2.gz AEFXAJDZXLJVMU-QGZVFWFLSA-N 1 0 318.848 3.788 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965725 1029290749 /nfs/dbraw/zinc/29/07/49/1029290749.db2.gz ZJTZOODDEICLKB-SNVBAGLBSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958641 1029296230 /nfs/dbraw/zinc/29/62/30/1029296230.db2.gz KZDPVZQWLNRLMD-STQMWFEESA-N 1 0 305.249 3.723 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OC(F)F)cc1 ZINC000817956313 1029296273 /nfs/dbraw/zinc/29/62/73/1029296273.db2.gz WILLJQAPZVSKIE-LBPRGKRZSA-N 1 0 306.356 3.764 20 10 DHCDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957128 1029296633 /nfs/dbraw/zinc/29/66/33/1029296633.db2.gz JIPYUSOYDRNRBB-VHKYSDTDSA-N 1 0 310.441 3.602 20 10 DHCDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Cl)c1F ZINC000817957406 1029296883 /nfs/dbraw/zinc/29/68/83/1029296883.db2.gz MBOJNVVFAAIKQT-MRXNPFEDSA-N 1 0 322.811 3.581 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(-c2ccccc2)nn1C ZINC000817957973 1029297391 /nfs/dbraw/zinc/29/73/91/1029297391.db2.gz RRNUXUOMXDMCJB-OAHLLOKOSA-N 1 0 320.440 3.563 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817956815 1029297880 /nfs/dbraw/zinc/29/78/80/1029297880.db2.gz DGEITHSHYDDLQR-CQSZACIVSA-N 1 0 306.331 3.506 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000817956912 1029297898 /nfs/dbraw/zinc/29/78/98/1029297898.db2.gz FUGPUZNHIZKJSD-IBGZPJMESA-N 1 0 310.441 3.877 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OC(F)F)cc1 ZINC000817956312 1029298078 /nfs/dbraw/zinc/29/80/78/1029298078.db2.gz WILLJQAPZVSKIE-GFCCVEGCSA-N 1 0 306.356 3.764 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1O ZINC000817957101 1029298228 /nfs/dbraw/zinc/29/82/28/1029298228.db2.gz IZZMLWNLXNTUBI-GFCCVEGCSA-N 1 0 304.821 3.830 20 10 DHCDRO CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965020 1029305825 /nfs/dbraw/zinc/30/58/25/1029305825.db2.gz NCAXSNKSEJJOSF-GFCCVEGCSA-N 1 0 303.233 3.621 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976603 1029313737 /nfs/dbraw/zinc/31/37/37/1029313737.db2.gz OXHIVBKIGNDJPN-NXEZZACHSA-N 1 0 305.249 3.867 20 10 DHCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817974155 1029314764 /nfs/dbraw/zinc/31/47/64/1029314764.db2.gz ZPHFEBWJRCGNFJ-SJORKVTESA-N 1 0 303.494 3.716 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817977221 1029315131 /nfs/dbraw/zinc/31/51/31/1029315131.db2.gz FAVANSQPHHZOII-SKDRFNHKSA-N 1 0 305.249 3.867 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(C)cc1O ZINC000817975498 1029315251 /nfs/dbraw/zinc/31/52/51/1029315251.db2.gz VRHCBOQMYZGXDU-OALUTQOASA-N 1 0 310.441 3.628 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000817978121 1029315896 /nfs/dbraw/zinc/31/58/96/1029315896.db2.gz WLSAECNPDPBNJS-CYBMUJFWSA-N 1 0 312.413 3.610 20 10 DHCDRO CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983848 1029320931 /nfs/dbraw/zinc/32/09/31/1029320931.db2.gz JWJJIVOWSZAYBS-CYBMUJFWSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000818220870 1029355382 /nfs/dbraw/zinc/35/53/82/1029355382.db2.gz NNJQQQFCCKUXGO-BRWVUGGUSA-N 1 0 302.462 3.690 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC000818230664 1029359229 /nfs/dbraw/zinc/35/92/29/1029359229.db2.gz RIDAZXUTLCRNCA-MSOLQXFVSA-N 1 0 301.361 3.518 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C)o3)C2)cc1 ZINC000818344135 1029374957 /nfs/dbraw/zinc/37/49/57/1029374957.db2.gz JPNDDOHBCFHSOX-CVEARBPZSA-N 1 0 314.429 3.774 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953284 1029444758 /nfs/dbraw/zinc/44/47/58/1029444758.db2.gz FPWCOEZACOWJGV-DYESRHJHSA-N 1 0 324.468 3.541 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000529643707 1029479181 /nfs/dbraw/zinc/47/91/81/1029479181.db2.gz SYRGQOXYOAIUSQ-HYVNUMGLSA-N 1 0 303.764 3.613 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCSCCC(F)(F)F)c1 ZINC000865787953 1030024044 /nfs/dbraw/zinc/02/40/44/1030024044.db2.gz BCBYKTSGIONBBC-UHFFFAOYSA-N 1 0 323.380 3.566 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865726690 1029992856 /nfs/dbraw/zinc/99/28/56/1029992856.db2.gz REYAHGYSVJTEGF-MRXNPFEDSA-N 1 0 309.837 3.875 20 10 DHCDRO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccccc1O ZINC000865729097 1029993969 /nfs/dbraw/zinc/99/39/69/1029993969.db2.gz DQUPAODYWXMTIL-UHFFFAOYSA-N 1 0 313.397 3.637 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000865757178 1030006385 /nfs/dbraw/zinc/00/63/85/1030006385.db2.gz LONTUIMGUVRPGA-UHFFFAOYSA-N 1 0 319.323 3.579 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c(O)c1 ZINC000865853314 1030060985 /nfs/dbraw/zinc/06/09/85/1030060985.db2.gz FXKSEADSRFTCIH-GFCCVEGCSA-N 1 0 312.369 3.783 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c1O ZINC000865854651 1030062397 /nfs/dbraw/zinc/06/23/97/1030062397.db2.gz RJMALDJINAZTKV-GFCCVEGCSA-N 1 0 312.369 3.783 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(Br)CC1 ZINC000924646854 1030148979 /nfs/dbraw/zinc/14/89/79/1030148979.db2.gz COKITYMNTDXKPD-CYBMUJFWSA-N 1 0 323.278 3.692 20 10 DHCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924646516 1030149956 /nfs/dbraw/zinc/14/99/56/1030149956.db2.gz BVMKNVUEIMSKDI-ICSRJNTNSA-N 1 0 316.489 3.708 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000120965425 1030177814 /nfs/dbraw/zinc/17/78/14/1030177814.db2.gz SGEZHFXEXGMAGB-SFHVURJKSA-N 1 0 302.368 3.808 20 10 DHCDRO c1csc(SCCC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000866269621 1030192887 /nfs/dbraw/zinc/19/28/87/1030192887.db2.gz LEXSJSARYSPDBQ-ZIAGYGMSSA-N 1 0 312.504 3.563 20 10 DHCDRO Clc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171017336 1030285696 /nfs/dbraw/zinc/28/56/96/1030285696.db2.gz HJWCTGMRIQRIDF-MRXNPFEDSA-N 1 0 313.828 3.922 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000866511653 1030339023 /nfs/dbraw/zinc/33/90/23/1030339023.db2.gz DWZWHCUOXIMNKG-VDZJLULYSA-N 1 0 303.446 3.947 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540865 1030362357 /nfs/dbraw/zinc/36/23/57/1030362357.db2.gz FKMIWVJDVKPWEW-SNVBAGLBSA-N 1 0 311.303 3.984 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000772874725 1030376328 /nfs/dbraw/zinc/37/63/28/1030376328.db2.gz FNBUIJCNCHZCSU-UHFFFAOYSA-N 1 0 302.487 3.662 20 10 DHCDRO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866565653 1030379778 /nfs/dbraw/zinc/37/97/78/1030379778.db2.gz OSWLHILRCQCNOA-MRVPVSSYSA-N 1 0 315.751 3.568 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1 ZINC000866568458 1030381153 /nfs/dbraw/zinc/38/11/53/1030381153.db2.gz VMUZFDBXZPQDBR-LLVKDONJSA-N 1 0 309.360 3.531 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823730682 1030384234 /nfs/dbraw/zinc/38/42/34/1030384234.db2.gz ZBAVIIKRJSCZRN-JKSUJKDBSA-N 1 0 304.478 3.999 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823871972 1030419248 /nfs/dbraw/zinc/41/92/48/1030419248.db2.gz SZWYWIYIUOASEP-CYBMUJFWSA-N 1 0 323.314 3.595 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784770 1030495833 /nfs/dbraw/zinc/49/58/33/1030495833.db2.gz KWZCTIRSPPCOQE-NRUUGDAUSA-N 1 0 317.260 3.595 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925880146 1030531606 /nfs/dbraw/zinc/53/16/06/1030531606.db2.gz OQLRGLODXSNBEM-PUYPPJJSSA-N 1 0 317.260 3.867 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(F)ncc1F ZINC000824344738 1030533245 /nfs/dbraw/zinc/53/32/45/1030533245.db2.gz RTUCDLXYSUIPFT-UHFFFAOYSA-N 1 0 306.356 3.868 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000824515048 1030571212 /nfs/dbraw/zinc/57/12/12/1030571212.db2.gz DDKDUALPRYUWFR-FZMZJTMJSA-N 1 0 319.367 3.860 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000824548285 1030587308 /nfs/dbraw/zinc/58/73/08/1030587308.db2.gz FCHVMTSRWFEHED-UHFFFAOYSA-N 1 0 301.361 3.707 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c(O)c1 ZINC000824714270 1030619658 /nfs/dbraw/zinc/61/96/58/1030619658.db2.gz AVMXGGMDPNFONK-YPMHNXCESA-N 1 0 317.351 3.954 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)ccc1OC ZINC000824799756 1030641526 /nfs/dbraw/zinc/64/15/26/1030641526.db2.gz QRJBUAQJMIGANF-HNNXBMFYSA-N 1 0 313.388 3.757 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000824799064 1030642054 /nfs/dbraw/zinc/64/20/54/1030642054.db2.gz KDBBHRHZIYJZJH-AWEZNQCLSA-N 1 0 324.415 3.689 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824799390 1030642176 /nfs/dbraw/zinc/64/21/76/1030642176.db2.gz NFFMPOKBATZOGM-IYOUNJFTSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824907037 1030663650 /nfs/dbraw/zinc/66/36/50/1030663650.db2.gz UXJRMKGSVOIDCL-UHFFFAOYSA-N 1 0 302.418 3.658 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(OCC3CC3)CC2)cc1Cl ZINC000824877529 1030669142 /nfs/dbraw/zinc/66/91/42/1030669142.db2.gz STBZIUPUJRJXGI-UHFFFAOYSA-N 1 0 309.837 3.745 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000824954469 1030680487 /nfs/dbraw/zinc/68/04/87/1030680487.db2.gz QLMSNDNWIZJVEH-IEZWGBDMSA-N 1 0 312.413 3.748 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CC(c3cccc(Cl)c3)C2)c1 ZINC000824989026 1030696646 /nfs/dbraw/zinc/69/66/46/1030696646.db2.gz XWNQGSGIASHYFS-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000093605053 1030700387 /nfs/dbraw/zinc/70/03/87/1030700387.db2.gz COHOCPXXSIHSKE-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248180815 1030723598 /nfs/dbraw/zinc/72/35/98/1030723598.db2.gz WJUZOHCMDPTQOD-XDNAFOTISA-N 1 0 302.462 3.607 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000825091067 1030724055 /nfs/dbraw/zinc/72/40/55/1030724055.db2.gz TWQYOCJUOHSYAJ-SFHVURJKSA-N 1 0 304.478 3.516 20 10 DHCDRO COCc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825113605 1030729136 /nfs/dbraw/zinc/72/91/36/1030729136.db2.gz HBUBHLWBHKMAPV-UHFFFAOYSA-N 1 0 305.805 3.790 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(OC)c1 ZINC000825125574 1030730808 /nfs/dbraw/zinc/73/08/08/1030730808.db2.gz LTEZOJYCADBIFL-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000291997149 1030748819 /nfs/dbraw/zinc/74/88/19/1030748819.db2.gz XIDVNRYNDONCJL-INIZCTEOSA-N 1 0 301.434 3.852 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000825279864 1030764215 /nfs/dbraw/zinc/76/42/15/1030764215.db2.gz ZAJMCTXTESMTOL-DYVFJYSZSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)o1 ZINC000825304173 1030771011 /nfs/dbraw/zinc/77/10/11/1030771011.db2.gz RXQFHZLQLPYXGN-KRWDZBQOSA-N 1 0 323.820 3.561 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)c1 ZINC000825365737 1030790345 /nfs/dbraw/zinc/79/03/45/1030790345.db2.gz MIDZJPVFRIYDDY-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825500800 1030829671 /nfs/dbraw/zinc/82/96/71/1030829671.db2.gz ICRIZNRUCOSPHY-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1O ZINC000237414354 1030889812 /nfs/dbraw/zinc/88/98/12/1030889812.db2.gz FICFLJAPKCQTGS-FUHWJXTLSA-N 1 0 311.425 3.902 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC000926921514 1030997175 /nfs/dbraw/zinc/99/71/75/1030997175.db2.gz VDDWUUWLEYLCOP-LBPRGKRZSA-N 1 0 302.443 3.887 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c(O)c1 ZINC000926930621 1031003562 /nfs/dbraw/zinc/00/35/62/1031003562.db2.gz JBMDRMVVROKALD-LBPRGKRZSA-N 1 0 302.443 3.539 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000926973404 1031021632 /nfs/dbraw/zinc/02/16/32/1031021632.db2.gz CNAWKUQZTBBPLM-HNNXBMFYSA-N 1 0 308.381 3.661 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000927036619 1031047391 /nfs/dbraw/zinc/04/73/91/1031047391.db2.gz KXOPCJPOCHQFNQ-OLZOCXBDSA-N 1 0 307.459 3.870 20 10 DHCDRO CCC[N@H+](Cc1cc(OC(C)C)ccn1)Cc1ccccc1O ZINC000844301081 1031052616 /nfs/dbraw/zinc/05/26/16/1031052616.db2.gz PXIGHBDZKRQDNY-UHFFFAOYSA-N 1 0 314.429 3.987 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000927069810 1031070166 /nfs/dbraw/zinc/07/01/66/1031070166.db2.gz NEPACDTWBWZSPP-IEZWGBDMSA-N 1 0 303.446 3.947 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c(O)c1C ZINC000927071106 1031074157 /nfs/dbraw/zinc/07/41/57/1031074157.db2.gz XBWWIYBEDNEZPM-LESCRADOSA-N 1 0 303.446 3.865 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1O ZINC000927101213 1031089011 /nfs/dbraw/zinc/08/90/11/1031089011.db2.gz KGMSNWIRPDSLKA-HNNXBMFYSA-N 1 0 319.836 3.897 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000927115162 1031101159 /nfs/dbraw/zinc/10/11/59/1031101159.db2.gz JEBLBGNYGXPXCQ-DJJJIMSYSA-N 1 0 315.388 3.886 20 10 DHCDRO C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccccc1O ZINC000870988500 1031117567 /nfs/dbraw/zinc/11/75/67/1031117567.db2.gz QVELXNIUGCNYAO-GOEBONIOSA-N 1 0 318.461 3.647 20 10 DHCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000123495557 1031143104 /nfs/dbraw/zinc/14/31/04/1031143104.db2.gz STECODJPENNJAL-APWZRJJASA-N 1 0 304.478 3.735 20 10 DHCDRO c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000123654112 1031226896 /nfs/dbraw/zinc/22/68/96/1031226896.db2.gz ITXAOIBKAMNLDV-NRFANRHFSA-N 1 0 322.452 3.860 20 10 DHCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)CCCC3 ZINC000844753376 1031313187 /nfs/dbraw/zinc/31/31/87/1031313187.db2.gz PZUCVOGQYYHDFI-BETUJISGSA-N 1 0 319.351 3.714 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC001171154540 1031386985 /nfs/dbraw/zinc/38/69/85/1031386985.db2.gz AGNRLZUZAZAUMU-ZDUSSCGKSA-N 1 0 307.821 3.870 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Cl)c1[O-] ZINC000844923557 1031401813 /nfs/dbraw/zinc/40/18/13/1031401813.db2.gz IVBALWIFZUULKW-MRXNPFEDSA-N 1 0 322.811 3.884 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)c2c1c(F)ccc2O ZINC000844920640 1031401846 /nfs/dbraw/zinc/40/18/46/1031401846.db2.gz NKEGAGRHFXRDOF-FFSVYQOJSA-N 1 0 312.388 3.706 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)c2c1c(F)ccc2O ZINC000844920639 1031402085 /nfs/dbraw/zinc/40/20/85/1031402085.db2.gz NKEGAGRHFXRDOF-AXAPSJFSSA-N 1 0 312.388 3.706 20 10 DHCDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844924642 1031404001 /nfs/dbraw/zinc/40/40/01/1031404001.db2.gz NFPKCJPJQRXQFD-SNVBAGLBSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000872030054 1031414904 /nfs/dbraw/zinc/41/49/04/1031414904.db2.gz YDLFTTMYEFIPOX-UYAOXDASSA-N 1 0 316.489 3.972 20 10 DHCDRO CCc1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001144315740 1031467114 /nfs/dbraw/zinc/46/71/14/1031467114.db2.gz WWUDONSLLFCITK-UHFFFAOYSA-N 1 0 310.441 3.580 20 10 DHCDRO Cc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000929296786 1031486880 /nfs/dbraw/zinc/48/68/80/1031486880.db2.gz RLULRTLYWISTKT-UHFFFAOYSA-N 1 0 300.450 3.503 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c(O)c1 ZINC000872110910 1031503939 /nfs/dbraw/zinc/50/39/39/1031503939.db2.gz UDZIIHBNFUDFEW-SECBINFHSA-N 1 0 313.266 3.523 20 10 DHCDRO CC1CCC(OC2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC000360661883 1031510131 /nfs/dbraw/zinc/51/01/31/1031510131.db2.gz MEKYHLTUKGASAE-UHFFFAOYSA-N 1 0 303.446 3.952 20 10 DHCDRO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC000293644206 1031553206 /nfs/dbraw/zinc/55/32/06/1031553206.db2.gz HHFSWWWTTKNGDX-NSHDSACASA-N 1 0 310.319 3.699 20 10 DHCDRO CCc1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000929636115 1031562467 /nfs/dbraw/zinc/56/24/67/1031562467.db2.gz ROKVSOOPMOEDIM-UHFFFAOYSA-N 1 0 300.402 3.887 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c(O)c1 ZINC000872261070 1031565179 /nfs/dbraw/zinc/56/51/79/1031565179.db2.gz ZBGDYXWLZOXSBF-QGZVFWFLSA-N 1 0 319.445 3.715 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000124082193 1031607452 /nfs/dbraw/zinc/60/74/52/1031607452.db2.gz AAMIHQZNPJYENG-RHSMWYFYSA-N 1 0 317.502 3.768 20 10 DHCDRO CSC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000872627630 1031635457 /nfs/dbraw/zinc/63/54/57/1031635457.db2.gz UYKHXZZJWCPPPA-UHFFFAOYSA-N 1 0 309.475 3.723 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000872815975 1031667702 /nfs/dbraw/zinc/66/77/02/1031667702.db2.gz FFTSONKLSVZAAV-WFASDCNBSA-N 1 0 317.351 3.551 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1Cn1cccn1 ZINC000873008189 1031690181 /nfs/dbraw/zinc/69/01/81/1031690181.db2.gz GVEAYGQSTLWKIG-UHFFFAOYSA-N 1 0 321.424 3.538 20 10 DHCDRO Cc1cnc([C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)s1 ZINC000361049922 1031695770 /nfs/dbraw/zinc/69/57/70/1031695770.db2.gz TXGRNPCCEQTALT-HNNXBMFYSA-N 1 0 302.443 3.845 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1C ZINC000873079152 1031703847 /nfs/dbraw/zinc/70/38/47/1031703847.db2.gz DBGRIYGBUJNFGW-QGZVFWFLSA-N 1 0 303.446 3.975 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1C ZINC000873108408 1031711795 /nfs/dbraw/zinc/71/17/95/1031711795.db2.gz XSGVOARDYPCLTN-MJGOQNOKSA-N 1 0 303.446 3.831 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873184477 1031745654 /nfs/dbraw/zinc/74/56/54/1031745654.db2.gz QQTJABBPMVREEI-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000845972475 1031788165 /nfs/dbraw/zinc/78/81/65/1031788165.db2.gz QUFRAJWKQYKZDY-ZJIFWQFVSA-N 1 0 319.445 3.647 20 10 DHCDRO CC[C@@H](OCC[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000846020680 1031808905 /nfs/dbraw/zinc/80/89/05/1031808905.db2.gz NBODHRPLEMMHAK-GOSISDBHSA-N 1 0 303.377 3.789 20 10 DHCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000846045708 1031837971 /nfs/dbraw/zinc/83/79/71/1031837971.db2.gz VRAZXMQZUFDLTJ-ZEQUCBBFSA-N 1 0 324.468 3.652 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1F ZINC000846046055 1031841760 /nfs/dbraw/zinc/84/17/60/1031841760.db2.gz UKSUNUYBOZUNBP-HNNXBMFYSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104146 1031881076 /nfs/dbraw/zinc/88/10/76/1031881076.db2.gz FKQXNDFVYPRDHZ-CQSZACIVSA-N 1 0 301.764 3.975 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1O ZINC000846149326 1031882577 /nfs/dbraw/zinc/88/25/77/1031882577.db2.gz YAEJRDVHUMGCQO-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1O ZINC000846148212 1031883589 /nfs/dbraw/zinc/88/35/89/1031883589.db2.gz YDPKYPMUIYITPG-AWEZNQCLSA-N 1 0 314.429 3.626 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCc3ccccc3C2)c1O ZINC000846152333 1031884888 /nfs/dbraw/zinc/88/48/88/1031884888.db2.gz RYJYCJAVBURRKE-GJZGRUSLSA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2c(Cl)cccc2OC)c1O ZINC000846167277 1031893500 /nfs/dbraw/zinc/89/35/00/1031893500.db2.gz VXMYDJKRERWEES-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000846164258 1031894326 /nfs/dbraw/zinc/89/43/26/1031894326.db2.gz NSBKBHAZCADQBU-JLJPHGGASA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ncc(C)s2)c1O ZINC000846164981 1031894696 /nfs/dbraw/zinc/89/46/96/1031894696.db2.gz MFOQKMRKMYIWEW-CMPLNLGQSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(OC)c2ccccc2)c1O ZINC000846168177 1031898153 /nfs/dbraw/zinc/89/81/53/1031898153.db2.gz HVDLIUAEHHEZLI-KUHUBIRLSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)c2ccccc2)c1O ZINC000846140170 1031899950 /nfs/dbraw/zinc/89/99/50/1031899950.db2.gz IBAJFGFUDCCFOM-GJZGRUSLSA-N 1 0 314.429 3.576 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846138439 1031900782 /nfs/dbraw/zinc/90/07/82/1031900782.db2.gz CORYGEWGVZWKPD-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC)c1O ZINC000846135593 1031900792 /nfs/dbraw/zinc/90/07/92/1031900792.db2.gz DQAUNVCQCFMOFZ-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846136460 1031901601 /nfs/dbraw/zinc/90/16/01/1031901601.db2.gz IIITVFIPECQUOJ-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c1O ZINC000846141325 1031903017 /nfs/dbraw/zinc/90/30/17/1031903017.db2.gz MSFNLZHRZRZPKQ-WMLDXEAASA-N 1 0 320.477 3.562 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846142956 1031903483 /nfs/dbraw/zinc/90/34/83/1031903483.db2.gz XHOZRIZJHWNJAW-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846142953 1031904231 /nfs/dbraw/zinc/90/42/31/1031904231.db2.gz XHOZRIZJHWNJAW-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2ccc(C)cc2)c1O ZINC000846144712 1031906838 /nfs/dbraw/zinc/90/68/38/1031906838.db2.gz JXICIBFQFJYROV-HNNXBMFYSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000846147049 1031907353 /nfs/dbraw/zinc/90/73/53/1031907353.db2.gz VCEQYYOACRIJIR-VXGBXAGGSA-N 1 0 316.357 3.721 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c(O)c1C ZINC000846186777 1031918653 /nfs/dbraw/zinc/91/86/53/1031918653.db2.gz GAKXXPCTPZKPCH-KBXCAEBGSA-N 1 0 303.446 3.865 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c(O)c1C ZINC000846186783 1031919421 /nfs/dbraw/zinc/91/94/21/1031919421.db2.gz GAKXXPCTPZKPCH-KDOFPFPSSA-N 1 0 303.446 3.865 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccccc2Br)c1O ZINC000124751035 1031955136 /nfs/dbraw/zinc/95/51/36/1031955136.db2.gz YPCGYJOYMJXWSM-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2)sc1C ZINC000124742497 1031955530 /nfs/dbraw/zinc/95/55/30/1031955530.db2.gz GEGCGXLZOXNYDG-UHFFFAOYSA-N 1 0 303.475 3.851 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898181131 1031981586 /nfs/dbraw/zinc/98/15/86/1031981586.db2.gz BEHJIIVMPJCFDA-CQSZACIVSA-N 1 0 313.445 3.802 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1F ZINC000898320224 1032018452 /nfs/dbraw/zinc/01/84/52/1032018452.db2.gz JXZHKTOJHQRJRP-GOSISDBHSA-N 1 0 317.383 3.667 20 10 DHCDRO CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccccc1CC[NH3+] ZINC000846670766 1032036667 /nfs/dbraw/zinc/03/66/67/1032036667.db2.gz SHKDTZHXZXXOJD-UHFFFAOYSA-N 1 0 322.452 3.688 20 10 DHCDRO CCCC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1O ZINC000294534646 1032050026 /nfs/dbraw/zinc/05/00/26/1032050026.db2.gz DGVVRSMSXGZTHJ-UHFFFAOYSA-N 1 0 323.387 3.656 20 10 DHCDRO CCCN(Cc1ccc(C(F)F)nc1)c1ccc(C[NH3+])cc1 ZINC000877479718 1033316387 /nfs/dbraw/zinc/31/63/87/1033316387.db2.gz WZZUWMDEODMHNO-UHFFFAOYSA-N 1 0 305.372 3.895 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)c1 ZINC000877507953 1033329854 /nfs/dbraw/zinc/32/98/54/1033329854.db2.gz SXJUMAKPGMAVPD-KGLIPLIRSA-N 1 0 300.229 3.716 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000877516611 1033331385 /nfs/dbraw/zinc/33/13/85/1033331385.db2.gz GYAPVKDWLIOIKB-AQNXPRMDSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](OC)c2ccccc2)c1 ZINC000877533496 1033339176 /nfs/dbraw/zinc/33/91/76/1033339176.db2.gz PEHDBTHMUJFXIF-KSMMKXTCSA-N 1 0 315.413 3.828 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCC(C)(C)SC)C2)cc1 ZINC000877598700 1033375679 /nfs/dbraw/zinc/37/56/79/1033375679.db2.gz RPZVCROYOXICPM-HNNXBMFYSA-N 1 0 322.518 3.643 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672365 1033406015 /nfs/dbraw/zinc/40/60/15/1033406015.db2.gz CPRHVIVTDVQTRU-DLBZAZTESA-N 1 0 317.816 3.744 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672696 1033408438 /nfs/dbraw/zinc/40/84/38/1033408438.db2.gz KXWDLWPCIRPNRY-MOPGFXCFSA-N 1 0 311.425 3.653 20 10 DHCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172843292 1033412588 /nfs/dbraw/zinc/41/25/88/1033412588.db2.gz VSAGNNHGKKCMHB-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)cc1O ZINC001172842033 1033413229 /nfs/dbraw/zinc/41/32/29/1033413229.db2.gz OIWTZPYETIZLKF-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)CC2 ZINC001172844895 1033415419 /nfs/dbraw/zinc/41/54/19/1033415419.db2.gz VIUOUZQMKVBUJK-IBGZPJMESA-N 1 0 323.436 3.712 20 10 DHCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(O)c1O ZINC001172851114 1033420871 /nfs/dbraw/zinc/42/08/71/1033420871.db2.gz FJEDHGYPSKJARC-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000877756447 1033434501 /nfs/dbraw/zinc/43/45/01/1033434501.db2.gz JBRFVOHQYQSYEE-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CC(C)n1ncc2cc(C[NH2+][C@H](C)c3ccccc3O)cnc21 ZINC000877756451 1033435308 /nfs/dbraw/zinc/43/53/08/1033435308.db2.gz JDKXWOLKOJTBAY-CYBMUJFWSA-N 1 0 310.401 3.569 20 10 DHCDRO Cc1cn2c(nc(C)c2C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000877756569 1033435421 /nfs/dbraw/zinc/43/54/21/1033435421.db2.gz STJVDVKMZSHCIK-LLVKDONJSA-N 1 0 301.415 3.569 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC1CC1 ZINC000877757985 1033435756 /nfs/dbraw/zinc/43/57/56/1033435756.db2.gz BNXYXTBJIVPJIK-ZDUSSCGKSA-N 1 0 313.397 3.793 20 10 DHCDRO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000877758193 1033435840 /nfs/dbraw/zinc/43/58/40/1033435840.db2.gz MDMAROUZCXAZDK-GJZGRUSLSA-N 1 0 315.413 3.657 20 10 DHCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757106 1033436010 /nfs/dbraw/zinc/43/60/10/1033436010.db2.gz GQSRVJYCIPUTEU-LBPRGKRZSA-N 1 0 301.434 3.811 20 10 DHCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151923523 1033490349 /nfs/dbraw/zinc/49/03/49/1033490349.db2.gz KDZORORLZKDQHE-SJORKVTESA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(N(C)C)cc1 ZINC000927069678 1033510231 /nfs/dbraw/zinc/51/02/31/1033510231.db2.gz MLTRERHTJGQEDZ-RBUKOAKNSA-N 1 0 314.477 3.924 20 10 DHCDRO CC[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001173270834 1033639803 /nfs/dbraw/zinc/63/98/03/1033639803.db2.gz CVEDZPZUSDAAQF-YJBOKZPZSA-N 1 0 302.462 3.525 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(Cl)n2)c1 ZINC000878360170 1033672220 /nfs/dbraw/zinc/67/22/20/1033672220.db2.gz IIFIMMQJACUBHO-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1F ZINC000127099186 1033697800 /nfs/dbraw/zinc/69/78/00/1033697800.db2.gz PSGNEBIHQDGVID-UHFFFAOYSA-N 1 0 320.452 3.815 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000826053310 1033764873 /nfs/dbraw/zinc/76/48/73/1033764873.db2.gz JOWKHSBCMKCMEQ-ZDUSSCGKSA-N 1 0 309.837 3.793 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000826062914 1033781009 /nfs/dbraw/zinc/78/10/09/1033781009.db2.gz YMSRSYBRMBOMQV-DYVFJYSZSA-N 1 0 311.853 3.895 20 10 DHCDRO C[C@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCS1 ZINC000862212092 1033782003 /nfs/dbraw/zinc/78/20/03/1033782003.db2.gz GMNYWQMXVDUDSV-SJLPKXTDSA-N 1 0 321.486 3.659 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC000862369995 1033833647 /nfs/dbraw/zinc/83/36/47/1033833647.db2.gz GLHDQGCEOPFFCW-VIFPVBQESA-N 1 0 320.177 3.632 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442029 1033856072 /nfs/dbraw/zinc/85/60/72/1033856072.db2.gz GDIJTWZYQFOJLC-UWVGGRQHSA-N 1 0 319.779 3.777 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000862479008 1033863453 /nfs/dbraw/zinc/86/34/53/1033863453.db2.gz YXMYRUSPCLEXSS-CQSZACIVSA-N 1 0 314.385 3.720 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000862478940 1033863517 /nfs/dbraw/zinc/86/35/17/1033863517.db2.gz WTBJLISQFMAKQI-UHFFFAOYSA-N 1 0 313.397 3.636 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000862485204 1033865279 /nfs/dbraw/zinc/86/52/79/1033865279.db2.gz JUKQXAILHZGHDD-GOEBONIOSA-N 1 0 319.445 3.500 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1F ZINC000862541382 1033882331 /nfs/dbraw/zinc/88/23/31/1033882331.db2.gz PVLXEBXCLVQLMQ-ZDUSSCGKSA-N 1 0 319.351 3.669 20 10 DHCDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862550477 1033885864 /nfs/dbraw/zinc/88/58/64/1033885864.db2.gz LVNMLDIQNDMNSQ-WSNITJDQSA-N 1 0 305.418 3.588 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1C ZINC000174239222 1033913591 /nfs/dbraw/zinc/91/35/91/1033913591.db2.gz RUQQBNAXBZSGCM-QGZVFWFLSA-N 1 0 314.429 3.529 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CC)c2nc(C)cs2)c1 ZINC000174498425 1033938550 /nfs/dbraw/zinc/93/85/50/1033938550.db2.gz CQEJSOHEAKCKPA-KRWDZBQOSA-N 1 0 320.458 3.971 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1F ZINC001202547235 1033995241 /nfs/dbraw/zinc/99/52/41/1033995241.db2.gz SPJVZZOGYPFOJQ-ZDUSSCGKSA-N 1 0 300.368 3.807 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCOC1 ZINC000119347185 1034027933 /nfs/dbraw/zinc/02/79/33/1034027933.db2.gz YKJLNIUJSKZHLA-AEFFLSMTSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@@H](C)C1(F)F ZINC000863273984 1034050595 /nfs/dbraw/zinc/05/05/95/1034050595.db2.gz GKHZBCUJPNFWNU-VXGBXAGGSA-N 1 0 306.356 3.664 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000879649654 1034072482 /nfs/dbraw/zinc/07/24/82/1034072482.db2.gz RTQKCVVDSJJASA-CHWSQXEVSA-N 1 0 316.376 3.518 20 10 DHCDRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651782 1034073316 /nfs/dbraw/zinc/07/33/16/1034073316.db2.gz KOHBIYANCFZDLT-KBPBESRZSA-N 1 0 312.413 3.632 20 10 DHCDRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652005 1034075410 /nfs/dbraw/zinc/07/54/10/1034075410.db2.gz SUVOHPCWUWBKIG-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccccc1O ZINC000879652388 1034075588 /nfs/dbraw/zinc/07/55/88/1034075588.db2.gz ZXIKPQOUSBAXFV-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651020 1034075986 /nfs/dbraw/zinc/07/59/86/1034075986.db2.gz DVSRUVFQBWSXJZ-AWEZNQCLSA-N 1 0 312.413 3.805 20 10 DHCDRO C[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C[NH2+]1 ZINC000863546201 1034126669 /nfs/dbraw/zinc/12/66/69/1034126669.db2.gz JVCWQLCTSPOPHT-POAQFYNOSA-N 1 0 324.468 3.796 20 10 DHCDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178278899 1034227274 /nfs/dbraw/zinc/22/72/74/1034227274.db2.gz AHFOMWADRHOTSX-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO CCc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794672987 1034336137 /nfs/dbraw/zinc/33/61/37/1034336137.db2.gz PEWFRUCRFIQGLP-FQEVSTJZSA-N 1 0 319.489 3.989 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](SC)C3)CC2)cc1 ZINC000128463620 1034347022 /nfs/dbraw/zinc/34/70/22/1034347022.db2.gz OCDNJYIGHVVZBR-MAUKXSAKSA-N 1 0 320.502 3.538 20 10 DHCDRO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccccc1O ZINC000183396396 1034382567 /nfs/dbraw/zinc/38/25/67/1034382567.db2.gz GGRHMOVDMZHYTA-QFBILLFUSA-N 1 0 310.441 3.880 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1O ZINC000183413869 1034385918 /nfs/dbraw/zinc/38/59/18/1034385918.db2.gz YPSLKKVETJKBLQ-QGZVFWFLSA-N 1 0 324.468 3.750 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183535055 1034397454 /nfs/dbraw/zinc/39/74/54/1034397454.db2.gz RXVFLERGFJHAAO-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000120158661 1034399721 /nfs/dbraw/zinc/39/97/21/1034399721.db2.gz QPFBKZAMUSEUPX-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000183604520 1034404886 /nfs/dbraw/zinc/40/48/86/1034404886.db2.gz FJPXQMFAUGYZIR-GFCCVEGCSA-N 1 0 302.443 3.621 20 10 DHCDRO Cc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000924747933 1034411937 /nfs/dbraw/zinc/41/19/37/1034411937.db2.gz AYZVOVNVBRMVHY-HXUWFJFHSA-N 1 0 322.452 3.609 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794790311 1034463643 /nfs/dbraw/zinc/46/36/43/1034463643.db2.gz BSISATTWIUVMJH-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C)cc1O ZINC000794795792 1034468664 /nfs/dbraw/zinc/46/86/64/1034468664.db2.gz IVGGAHYFPJDRRN-CYBMUJFWSA-N 1 0 305.340 3.710 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794798214 1034469967 /nfs/dbraw/zinc/46/99/67/1034469967.db2.gz UJOMGVKMJDSYIP-INIZCTEOSA-N 1 0 300.402 3.735 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000794797852 1034471029 /nfs/dbraw/zinc/47/10/29/1034471029.db2.gz QIUUPANSYYDWRQ-GOSISDBHSA-N 1 0 312.413 3.900 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800886 1034472479 /nfs/dbraw/zinc/47/24/79/1034472479.db2.gz FEIOYOGAWLTZCY-HKUYNNGSSA-N 1 0 313.441 3.593 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccncc2)c1O ZINC000184744954 1034499363 /nfs/dbraw/zinc/49/93/63/1034499363.db2.gz YSZUCKOHCDNIIS-LLVKDONJSA-N 1 0 306.793 3.642 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000184857718 1034506359 /nfs/dbraw/zinc/50/63/59/1034506359.db2.gz BFEKAKSZIMVXLN-SMDDNHRTSA-N 1 0 308.809 3.592 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000184857737 1034506707 /nfs/dbraw/zinc/50/67/07/1034506707.db2.gz BFEKAKSZIMVXLN-BXUZGUMPSA-N 1 0 308.809 3.592 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000184913151 1034513129 /nfs/dbraw/zinc/51/31/29/1034513129.db2.gz ZYQJMNSZPJTRRI-CQSZACIVSA-N 1 0 314.473 3.548 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000184998966 1034518409 /nfs/dbraw/zinc/51/84/09/1034518409.db2.gz QGOCZFZXJGXRBG-HUUCEWRRSA-N 1 0 314.404 3.708 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000185009890 1034519333 /nfs/dbraw/zinc/51/93/33/1034519333.db2.gz LVHQQPCSFBGDRA-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794814515 1034521034 /nfs/dbraw/zinc/52/10/34/1034521034.db2.gz LNCYTMGXJKMVNR-QGZVFWFLSA-N 1 0 324.424 3.913 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c(O)c1 ZINC000185046315 1034523705 /nfs/dbraw/zinc/52/37/05/1034523705.db2.gz CIOHDPXLNJACRQ-AWEZNQCLSA-N 1 0 300.402 3.734 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815849 1034528020 /nfs/dbraw/zinc/52/80/20/1034528020.db2.gz PTMFGOAUFUWNCX-JSGCOSHPSA-N 1 0 305.340 3.709 20 10 DHCDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185119512 1034531403 /nfs/dbraw/zinc/53/14/03/1034531403.db2.gz ZJWDPYREIOLPGY-NWDGAFQWSA-N 1 0 305.805 3.950 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(C)cc1O ZINC000794811637 1034533977 /nfs/dbraw/zinc/53/39/77/1034533977.db2.gz STTBXSRNQSJVCS-IAGOWNOFSA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1O ZINC000794818500 1034536456 /nfs/dbraw/zinc/53/64/56/1034536456.db2.gz XFRXLJZKAOBEKE-HKUYNNGSSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232366 1034536689 /nfs/dbraw/zinc/53/66/89/1034536689.db2.gz VEBHNNZIGTZATE-ZDUSSCGKSA-N 1 0 302.393 3.757 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C)cc1O ZINC000794829521 1034548723 /nfs/dbraw/zinc/54/87/23/1034548723.db2.gz TYEKQXRLDQAOJY-AEFFLSMTSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000185475265 1034551548 /nfs/dbraw/zinc/55/15/48/1034551548.db2.gz SUHKZQUPSSCLES-WHEQGISXSA-N 1 0 319.470 3.743 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185674686 1034565313 /nfs/dbraw/zinc/56/53/13/1034565313.db2.gz LCCIKBYBRYGDGU-ZEWGMFERSA-N 1 0 323.436 3.580 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839515 1034576413 /nfs/dbraw/zinc/57/64/13/1034576413.db2.gz QZIWXSINKJBMFA-IOASZLSFSA-N 1 0 305.443 3.925 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCC(C)CC2)c1 ZINC000794833017 1034576582 /nfs/dbraw/zinc/57/65/82/1034576582.db2.gz JPAUCODVESTXPF-FVRSWCFKSA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185834807 1034577361 /nfs/dbraw/zinc/57/73/61/1034577361.db2.gz NNIZGKJCDQRVSZ-VBHSOAQHSA-N 1 0 303.377 3.694 20 10 DHCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186075516 1034596207 /nfs/dbraw/zinc/59/62/07/1034596207.db2.gz YEEFJOQIKIHUHI-ZIAGYGMSSA-N 1 0 305.462 3.719 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)cc1 ZINC000865404842 1034630567 /nfs/dbraw/zinc/63/05/67/1034630567.db2.gz UJCJKLWNQSKQLF-UHFFFAOYSA-N 1 0 324.346 3.783 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(C)n1 ZINC000773407690 1034630980 /nfs/dbraw/zinc/63/09/80/1034630980.db2.gz AHWRAZXWWZOCEB-UHFFFAOYSA-N 1 0 307.825 3.640 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c1 ZINC000186521106 1034637937 /nfs/dbraw/zinc/63/79/37/1034637937.db2.gz QINCPCVQJACKKH-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186518288 1034638768 /nfs/dbraw/zinc/63/87/68/1034638768.db2.gz UGACFSIQHDCTFH-QLFBSQMISA-N 1 0 320.452 3.835 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2nc(C)cs2)c1 ZINC000186565971 1034645190 /nfs/dbraw/zinc/64/51/90/1034645190.db2.gz ZJGXTCXVCJCKJD-ZYHUDNBSSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000120566766 1034661163 /nfs/dbraw/zinc/66/11/63/1034661163.db2.gz IYPGJVITRLOFEQ-FQEVSTJZSA-N 1 0 310.441 3.928 20 10 DHCDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000773426562 1034685618 /nfs/dbraw/zinc/68/56/18/1034685618.db2.gz DQSRKWIGMATGFG-UHFFFAOYSA-N 1 0 313.825 3.647 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(SC)CCC2)ccc1OC ZINC000193647376 1034848797 /nfs/dbraw/zinc/84/87/97/1034848797.db2.gz JVZHYKZYRVMITR-UHFFFAOYSA-N 1 0 309.475 3.607 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000194415171 1035138558 /nfs/dbraw/zinc/13/85/58/1035138558.db2.gz BPCJGZZYGNYUKI-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO CCN(C)c1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1 ZINC001176154545 1035219901 /nfs/dbraw/zinc/21/99/01/1035219901.db2.gz PQFFMVGXNXKAMO-KRWDZBQOSA-N 1 0 315.505 3.591 20 10 DHCDRO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)[nH]n1 ZINC001176484119 1035278330 /nfs/dbraw/zinc/27/83/30/1035278330.db2.gz ANQNPJKOKJTDFI-IBGZPJMESA-N 1 0 312.461 3.820 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCSC[C@H]2C2CC2)ccc1N(C)C ZINC001176650833 1035314921 /nfs/dbraw/zinc/31/49/21/1035314921.db2.gz WVNATIXHUMGFGD-SFHVURJKSA-N 1 0 304.503 3.779 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001177008673 1035343384 /nfs/dbraw/zinc/34/33/84/1035343384.db2.gz NCDJPTRCRBJSNP-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177333291 1035364428 /nfs/dbraw/zinc/36/44/28/1035364428.db2.gz AAFKKNGQCSCTHF-INIZCTEOSA-N 1 0 320.452 3.721 20 10 DHCDRO CO[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)c1ccccc1 ZINC001177449339 1035369754 /nfs/dbraw/zinc/36/97/54/1035369754.db2.gz BOCNDLGMLGTMFK-QGZVFWFLSA-N 1 0 305.805 3.831 20 10 DHCDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483463 1035372871 /nfs/dbraw/zinc/37/28/71/1035372871.db2.gz SRUJNKMBBLPHGA-RBUKOAKNSA-N 1 0 316.489 3.828 20 10 DHCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001177479813 1035376448 /nfs/dbraw/zinc/37/64/48/1035376448.db2.gz ZTDWISLJVYSGPB-MRXNPFEDSA-N 1 0 310.441 3.630 20 10 DHCDRO COc1ccc(C[NH2+]CCCSc2nccs2)c(C)c1 ZINC001177905669 1035398098 /nfs/dbraw/zinc/39/80/98/1035398098.db2.gz SFQJSBYTNDGWAV-UHFFFAOYSA-N 1 0 308.472 3.732 20 10 DHCDRO CS[C@@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC001177904034 1035398150 /nfs/dbraw/zinc/39/81/50/1035398150.db2.gz GMSWXFAIKRVQPU-NWDGAFQWSA-N 1 0 302.534 3.889 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1F ZINC001177928974 1035401217 /nfs/dbraw/zinc/40/12/17/1035401217.db2.gz RFSBFYIWJOEXFF-MJGOQNOKSA-N 1 0 322.468 3.965 20 10 DHCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001178408848 1035428372 /nfs/dbraw/zinc/42/83/72/1035428372.db2.gz IGCGKPVMJHRAPY-HXUWFJFHSA-N 1 0 316.489 3.708 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000773756081 1035438899 /nfs/dbraw/zinc/43/88/99/1035438899.db2.gz SZKBMBJLNRZPJT-NRFANRHFSA-N 1 0 324.468 3.625 20 10 DHCDRO Fc1cc(OCC[NH2+]Cc2ccc3c(c2)CCO3)ccc1Cl ZINC001178717480 1035444698 /nfs/dbraw/zinc/44/46/98/1035444698.db2.gz UENJGCRCTJFIGO-UHFFFAOYSA-N 1 0 321.779 3.583 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(F)cnc2Cl)cc1 ZINC001178827731 1035449417 /nfs/dbraw/zinc/44/94/17/1035449417.db2.gz SUIMTEMEOFSOQD-ONEGZZNKSA-N 1 0 319.811 3.743 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)C2(O)CCCC2)cc1 ZINC001178958859 1035457726 /nfs/dbraw/zinc/45/77/26/1035457726.db2.gz RRQSSCNREHUTGC-FPLPWBNLSA-N 1 0 316.489 3.687 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](O)C(C)C ZINC001178958869 1035458052 /nfs/dbraw/zinc/45/80/52/1035458052.db2.gz RXRBJEAABXJEGY-IAGOWNOFSA-N 1 0 323.477 3.583 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000773817399 1035483405 /nfs/dbraw/zinc/48/34/05/1035483405.db2.gz JCNJAZOSHVLGCA-CQSZACIVSA-N 1 0 312.413 3.722 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898460 1035521472 /nfs/dbraw/zinc/52/14/72/1035521472.db2.gz OAPBQKCYBYLPQE-HZPDHXFCSA-N 1 0 311.853 3.989 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)Cc2ccsc2)c1O ZINC001180057506 1035579501 /nfs/dbraw/zinc/57/95/01/1035579501.db2.gz GXCCMAQRYOATOX-CYBMUJFWSA-N 1 0 305.443 3.834 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C(C)C)cc1OC ZINC001180331434 1035657574 /nfs/dbraw/zinc/65/75/74/1035657574.db2.gz GIJDWENRAYTXLN-OAHLLOKOSA-N 1 0 307.434 3.810 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H](CCOC)C2)cc1 ZINC000773855568 1035661250 /nfs/dbraw/zinc/66/12/50/1035661250.db2.gz ICZSJWGOQOOFQN-QGZVFWFLSA-N 1 0 304.478 3.781 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1OC ZINC001180497628 1035705665 /nfs/dbraw/zinc/70/56/65/1035705665.db2.gz OEFMOUYHZRVWJD-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COC1CCC(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC001180557815 1035718524 /nfs/dbraw/zinc/71/85/24/1035718524.db2.gz HFRBRALRRIFKRW-UHFFFAOYSA-N 1 0 316.489 3.922 20 10 DHCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001193869889 1035761186 /nfs/dbraw/zinc/76/11/86/1035761186.db2.gz ALBXPSFKNMEIRG-LJQANCHMSA-N 1 0 304.478 3.924 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC001181008010 1035806643 /nfs/dbraw/zinc/80/66/43/1035806643.db2.gz OLCGMXVOZPGUQY-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO C[C@H](NCc1cc(Cl)ccc1O)c1nc(C(C)(C)C)no1 ZINC000174662589 1035813909 /nfs/dbraw/zinc/81/39/09/1035813909.db2.gz NMKHHVAOIHXMDC-VIFPVBQESA-N 1 0 309.797 3.577 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CC2CCCCC2)c(O)c1OC ZINC001181275866 1035880424 /nfs/dbraw/zinc/88/04/24/1035880424.db2.gz GTPUDBVUDXOXGQ-CYBMUJFWSA-N 1 0 307.434 3.858 20 10 DHCDRO c1ncc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)o1 ZINC000906485361 1035985705 /nfs/dbraw/zinc/98/57/05/1035985705.db2.gz GPSQOGYIHRECDG-UHFFFAOYSA-N 1 0 320.392 3.956 20 10 DHCDRO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1C)CC2 ZINC001181818168 1036000709 /nfs/dbraw/zinc/00/07/09/1036000709.db2.gz JKNMJCTWIKHAOQ-UHFFFAOYSA-N 1 0 310.441 3.628 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)Cc1ccccc1 ZINC001181900213 1036037917 /nfs/dbraw/zinc/03/79/17/1036037917.db2.gz AYQVUZGUMZQRAH-LJQANCHMSA-N 1 0 313.441 3.863 20 10 DHCDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195213807 1036181840 /nfs/dbraw/zinc/18/18/40/1036181840.db2.gz IWJZUFGCMHNSFW-SFHVURJKSA-N 1 0 316.489 3.781 20 10 DHCDRO COc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)c(O)c1OC ZINC001182332350 1036232167 /nfs/dbraw/zinc/23/21/67/1036232167.db2.gz BZMGRUHRBWSULT-GOSISDBHSA-N 1 0 319.445 3.810 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(CC)CC ZINC001204335835 1036251013 /nfs/dbraw/zinc/25/10/13/1036251013.db2.gz XMDUBUCTRAMKHR-QZTJIDSGSA-N 1 0 321.461 3.816 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)OCCc2ccccc21 ZINC001203485911 1036251664 /nfs/dbraw/zinc/25/16/64/1036251664.db2.gz QQCQSLOXGLQLOQ-SFHVURJKSA-N 1 0 317.816 3.623 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC3(CC=CC3)[C@@H]2C(C)C)c1O ZINC001182694671 1036429493 /nfs/dbraw/zinc/42/94/93/1036429493.db2.gz XHOBTTTYTVOQLT-SFHVURJKSA-N 1 0 301.430 3.886 20 10 DHCDRO CCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000090219748 1036483020 /nfs/dbraw/zinc/48/30/20/1036483020.db2.gz JZIDMAPZQNIWNC-CQSZACIVSA-N 1 0 306.425 3.503 20 10 DHCDRO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000775716436 1036534171 /nfs/dbraw/zinc/53/41/71/1036534171.db2.gz XDVOETPKIBDVPE-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC001183472094 1036598606 /nfs/dbraw/zinc/59/86/06/1036598606.db2.gz LXYQKYDRTXAJIQ-GOSISDBHSA-N 1 0 314.404 3.817 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOCC(F)(F)F)cc1 ZINC000151819108 1036652283 /nfs/dbraw/zinc/65/22/83/1036652283.db2.gz HTHQNKZFLHQBBD-ZDUSSCGKSA-N 1 0 318.383 3.762 20 10 DHCDRO CSCC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001184097200 1036738050 /nfs/dbraw/zinc/73/80/50/1036738050.db2.gz FXSZOZMDQXBSHC-PLNGDYQASA-N 1 0 304.503 3.841 20 10 DHCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1F ZINC001184056980 1036739172 /nfs/dbraw/zinc/73/91/72/1036739172.db2.gz UJTCWXIRGMMVNB-OUFKLWKOSA-N 1 0 320.427 3.899 20 10 DHCDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184219507 1036775722 /nfs/dbraw/zinc/77/57/22/1036775722.db2.gz WCBIWRVTAVQPQQ-FUHIMQAGSA-N 1 0 317.521 3.771 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1Cl ZINC001184265038 1036791681 /nfs/dbraw/zinc/79/16/81/1036791681.db2.gz OEQCRICOTNAGST-LBPRGKRZSA-N 1 0 322.861 3.875 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000152061777 1036836368 /nfs/dbraw/zinc/83/63/68/1036836368.db2.gz BOCJPIGFSFORBT-AWEZNQCLSA-N 1 0 312.413 3.722 20 10 DHCDRO CCc1nnc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000762632004 1036882870 /nfs/dbraw/zinc/88/28/70/1036882870.db2.gz UOKXQASEHKHWPN-ZDUSSCGKSA-N 1 0 322.412 3.591 20 10 DHCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000774831756 1037042222 /nfs/dbraw/zinc/04/22/22/1037042222.db2.gz IZIBRKYLKIZKGH-HKUYNNGSSA-N 1 0 302.462 3.582 20 10 DHCDRO C[N@H+](Cc1nc2ccc(F)cc2s1)Cc1ccccc1O ZINC000762971839 1037186060 /nfs/dbraw/zinc/18/60/60/1037186060.db2.gz VQSFKTYWYYGMOF-UHFFFAOYSA-N 1 0 302.374 3.773 20 10 DHCDRO CCCCC[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001199052959 1037190883 /nfs/dbraw/zinc/19/08/83/1037190883.db2.gz QGJWLLSWJGCBRM-INIZCTEOSA-N 1 0 315.461 3.998 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2Cl)c1O ZINC000915815013 1037198533 /nfs/dbraw/zinc/19/85/33/1037198533.db2.gz CYZXTRPPGLJTDQ-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000775041997 1037459185 /nfs/dbraw/zinc/45/91/85/1037459185.db2.gz WUDVDJGPDSYPRK-KRWDZBQOSA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c(C)c1 ZINC001200997983 1037502310 /nfs/dbraw/zinc/50/23/10/1037502310.db2.gz IUZFWSXULGQLON-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2F)c1O ZINC000775125417 1037646084 /nfs/dbraw/zinc/64/60/84/1037646084.db2.gz RNMBAWQOFWHXRO-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO CCCN(Cc1c[nH]c(-c2ccccc2)n1)c1ccc(C[NH3+])cc1 ZINC000775140315 1037705809 /nfs/dbraw/zinc/70/58/09/1037705809.db2.gz LSZUKCCJZCMIQT-UHFFFAOYSA-N 1 0 320.440 3.952 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000154100296 1037822249 /nfs/dbraw/zinc/82/22/49/1037822249.db2.gz PKDZJOUOHORAIY-QZTJIDSGSA-N 1 0 315.461 3.689 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1cccc(F)c1 ZINC000776217858 1037906625 /nfs/dbraw/zinc/90/66/25/1037906625.db2.gz BVWJOIFOVZXHCL-NSHDSACASA-N 1 0 309.768 3.742 20 10 DHCDRO COCC1(C2CCC2)C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000827012083 1037991710 /nfs/dbraw/zinc/99/17/10/1037991710.db2.gz RPHGAMUEMHTJAH-UHFFFAOYSA-N 1 0 309.837 3.603 20 10 DHCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000775206178 1038013895 /nfs/dbraw/zinc/01/38/95/1038013895.db2.gz VYDDZPVNGQOKHH-GOSISDBHSA-N 1 0 307.434 3.572 20 10 DHCDRO [NH3+]Cc1cccc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522463 1038117796 /nfs/dbraw/zinc/11/77/96/1038117796.db2.gz RWQSGSRFARCCFB-UHFFFAOYSA-N 1 0 313.788 3.665 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccccc2C)c1 ZINC000775365512 1038278916 /nfs/dbraw/zinc/27/89/16/1038278916.db2.gz VJDBZQIEOJMUAK-OAHLLOKOSA-N 1 0 315.413 3.829 20 10 DHCDRO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000775370336 1038285010 /nfs/dbraw/zinc/28/50/10/1038285010.db2.gz FEMSKSGSHLTRDD-ZDUSSCGKSA-N 1 0 317.433 3.809 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(N(C)C)cc1 ZINC000164803359 1038306578 /nfs/dbraw/zinc/30/65/78/1038306578.db2.gz ZBCWXLXVTUQZLR-GOSISDBHSA-N 1 0 314.477 3.846 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001190436879 1038314789 /nfs/dbraw/zinc/31/47/89/1038314789.db2.gz NEQHTNCQBCSMSK-VQTJNVASSA-N 1 0 316.489 3.921 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)CCc2nccs2)cc1C(C)C ZINC000157136570 1038514808 /nfs/dbraw/zinc/51/48/08/1038514808.db2.gz CFHFPVHDZINTLF-UHFFFAOYSA-N 1 0 304.459 3.955 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1O ZINC000775491079 1038559752 /nfs/dbraw/zinc/55/97/52/1038559752.db2.gz YGOXHXKLOITPTQ-INIZCTEOSA-N 1 0 323.795 3.918 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1O ZINC000775492166 1038562906 /nfs/dbraw/zinc/56/29/06/1038562906.db2.gz MRDQFQMLGUOKKI-NVXWUHKLSA-N 1 0 304.478 3.943 20 10 DHCDRO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000775489616 1038564425 /nfs/dbraw/zinc/56/44/25/1038564425.db2.gz VVITXCSFNPFQCJ-QGZVFWFLSA-N 1 0 312.413 3.982 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)ccc1O ZINC000775489375 1038565676 /nfs/dbraw/zinc/56/56/76/1038565676.db2.gz YWGCJAGRDISCEH-CQSZACIVSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccccc1O ZINC000775490220 1038566106 /nfs/dbraw/zinc/56/61/06/1038566106.db2.gz AIQQNWZTWLRDPX-MRXNPFEDSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1cc(Cl)ccc1O ZINC000775493300 1038570123 /nfs/dbraw/zinc/57/01/23/1038570123.db2.gz XABMPBRSQFPRJM-AWEZNQCLSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775508450 1038592547 /nfs/dbraw/zinc/59/25/47/1038592547.db2.gz CGPAIJBLJHDQNJ-HIFRSBDPSA-N 1 0 309.793 3.721 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775513920 1038608161 /nfs/dbraw/zinc/60/81/61/1038608161.db2.gz WMOCDTNYDOEOIZ-KFNAQCHYSA-N 1 0 308.853 3.712 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775514247 1038608390 /nfs/dbraw/zinc/60/83/90/1038608390.db2.gz STNKKCVBHQQZQS-MLGOLLRUSA-N 1 0 323.820 3.531 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cc(Cl)ccc1O ZINC000775531705 1038666848 /nfs/dbraw/zinc/66/68/48/1038666848.db2.gz MPNBXFKNBFSQBX-HOCLYGCPSA-N 1 0 311.853 3.883 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000775555219 1038712793 /nfs/dbraw/zinc/71/27/93/1038712793.db2.gz UHSULFRQAZBIMO-KGLIPLIRSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000157516160 1039028643 /nfs/dbraw/zinc/02/86/43/1039028643.db2.gz AZRDNDRZIOBPCA-UYAOXDASSA-N 1 0 316.489 3.828 20 10 DHCDRO c1csc(SCCC[NH2+]C[C@H]2CCc3ccccc32)n1 ZINC000760954718 1039160808 /nfs/dbraw/zinc/16/08/08/1039160808.db2.gz OBOKGZSKCRXCOW-CQSZACIVSA-N 1 0 304.484 3.945 20 10 DHCDRO CCN(CC[NH2+][C@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000230660464 1039954910 /nfs/dbraw/zinc/95/49/10/1039954910.db2.gz PQZFBVKSXCISMK-CQSZACIVSA-N 1 0 322.449 3.608 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1 ZINC000230694620 1039961252 /nfs/dbraw/zinc/96/12/52/1039961252.db2.gz SLPJROKUHLLMEE-CQSZACIVSA-N 1 0 303.475 3.883 20 10 DHCDRO CSc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000063255963 1040167175 /nfs/dbraw/zinc/16/71/75/1040167175.db2.gz PMYYONWSRZLKRI-LLVKDONJSA-N 1 0 317.410 3.694 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C)cc2)c1O ZINC000761184255 1040494140 /nfs/dbraw/zinc/49/41/40/1040494140.db2.gz VSFHTWNTJUYKCE-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2ccc(F)cc2)c1O ZINC000761191845 1040559125 /nfs/dbraw/zinc/55/91/25/1040559125.db2.gz CMBPHOGJJHATRT-UHFFFAOYSA-N 1 0 323.795 3.868 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cccc(OC)c1O)c1nc(C)cs1 ZINC000174504644 1040659140 /nfs/dbraw/zinc/65/91/40/1040659140.db2.gz GJPGDMSSPHHPQO-INIZCTEOSA-N 1 0 306.431 3.581 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000761216826 1040683676 /nfs/dbraw/zinc/68/36/76/1040683676.db2.gz YDAJAFUSWSXSNP-PIGZYNQJSA-N 1 0 307.340 3.536 20 10 DHCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000761226947 1040820064 /nfs/dbraw/zinc/82/00/64/1040820064.db2.gz XWSMKNMXYIZXJE-FQEVSTJZSA-N 1 0 324.468 3.797 20 10 DHCDRO COCC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccco1 ZINC000272548375 130040181 /nfs/dbraw/zinc/04/01/81/130040181.db2.gz QPMCXZHDXSBWDR-AWEZNQCLSA-N 1 0 309.793 3.814 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)c1c(F)cccc1F ZINC000272881233 130070999 /nfs/dbraw/zinc/07/09/99/130070999.db2.gz QNYWVCHVPKHJEL-GEWABHDNSA-N 1 0 321.367 3.833 20 10 DHCDRO CSC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000273348103 130109910 /nfs/dbraw/zinc/10/99/10/130109910.db2.gz BFDNBUJGEJYIJP-AWEZNQCLSA-N 1 0 309.475 3.572 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(O)c1C ZINC000273364237 130111064 /nfs/dbraw/zinc/11/10/64/130111064.db2.gz BADIDELUJKIMAX-SJLPKXTDSA-N 1 0 313.441 3.826 20 10 DHCDRO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)cc2O)cs1 ZINC000273367549 130112994 /nfs/dbraw/zinc/11/29/94/130112994.db2.gz BSSXCFKFAYEWMY-NEPJUHHUSA-N 1 0 306.431 3.715 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1C ZINC000273401888 130117006 /nfs/dbraw/zinc/11/70/06/130117006.db2.gz NJDMZPKTBUIAGH-ZDUSSCGKSA-N 1 0 318.383 3.544 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(F)ccc1O ZINC000273405867 130117092 /nfs/dbraw/zinc/11/70/92/130117092.db2.gz OIZICCNWZKPEHP-NHYWBVRUSA-N 1 0 308.422 3.546 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273482573 130126393 /nfs/dbraw/zinc/12/63/93/130126393.db2.gz MKPIVZTVKJCDOJ-ZUZCIYMTSA-N 1 0 313.319 3.509 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000273491771 130127877 /nfs/dbraw/zinc/12/78/77/130127877.db2.gz OJGUBLZLUGGBBD-ZUZCIYMTSA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000273543122 130134927 /nfs/dbraw/zinc/13/49/27/130134927.db2.gz YXDIGUBCJOJLNF-WDEREUQCSA-N 1 0 304.321 3.851 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273555645 130136523 /nfs/dbraw/zinc/13/65/23/130136523.db2.gz GWQUKIZRGSJTGO-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273603171 130143078 /nfs/dbraw/zinc/14/30/78/130143078.db2.gz SLYMTLBYRZLBEH-HNNXBMFYSA-N 1 0 301.434 3.645 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)cc1O ZINC000273605165 130144362 /nfs/dbraw/zinc/14/43/62/130144362.db2.gz TWWJIJCHXIGRMF-GXSJLCMTSA-N 1 0 316.264 3.701 20 10 DHCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273620014 130145263 /nfs/dbraw/zinc/14/52/63/130145263.db2.gz YTDNLUGIOWKLEY-YNZWCRRESA-N 1 0 323.502 3.739 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cc(Br)ccc1O ZINC000273621536 130145777 /nfs/dbraw/zinc/14/57/77/130145777.db2.gz ZFAIVLGIQRLRRH-KOLCDFICSA-N 1 0 316.264 3.701 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1O ZINC000273992837 130195396 /nfs/dbraw/zinc/19/53/96/130195396.db2.gz MENIIJZCBHHKFI-XRTORIHISA-N 1 0 311.425 3.873 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000274874677 130268903 /nfs/dbraw/zinc/26/89/03/130268903.db2.gz GJDORPNELJBBIJ-HZPDHXFCSA-N 1 0 304.459 3.797 20 10 DHCDRO Cn1nccc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000274941095 130276119 /nfs/dbraw/zinc/27/61/19/130276119.db2.gz MSDBDFMGGMUJLQ-IBGZPJMESA-N 1 0 321.424 3.589 20 10 DHCDRO COc1ncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000275049199 130287375 /nfs/dbraw/zinc/28/73/75/130287375.db2.gz ZWDTYTRKZPJHAJ-GFCCVEGCSA-N 1 0 319.836 3.660 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1O ZINC000279787001 130763246 /nfs/dbraw/zinc/76/32/46/130763246.db2.gz LYNVYIXIOJDQKO-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000284376191 131075233 /nfs/dbraw/zinc/07/52/33/131075233.db2.gz NZZKALLZVXNLMT-GFCCVEGCSA-N 1 0 321.371 3.600 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287232934 131270286 /nfs/dbraw/zinc/27/02/86/131270286.db2.gz YIEAZXCPILFGFY-QZTJIDSGSA-N 1 0 316.420 3.875 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000287641192 131292012 /nfs/dbraw/zinc/29/20/12/131292012.db2.gz UQBVSLBETXUULX-GRDNDAEWSA-N 1 0 303.446 3.594 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c(O)c1 ZINC000289254360 131369410 /nfs/dbraw/zinc/36/94/10/131369410.db2.gz FHVOCYZXQCFROK-UHFFFAOYSA-N 1 0 319.445 3.572 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(N2CCCC2)n1 ZINC000289572090 131397344 /nfs/dbraw/zinc/39/73/44/131397344.db2.gz AZIKUCDRZWUREZ-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000291981528 131613769 /nfs/dbraw/zinc/61/37/69/131613769.db2.gz VKMCDWDRSLDPKI-JKDFXYPNSA-N 1 0 303.427 3.807 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1OCCc2sccc21 ZINC000297346482 132010996 /nfs/dbraw/zinc/01/09/96/132010996.db2.gz OXESGWDSUSCXPA-MIUNTBIASA-N 1 0 315.438 3.733 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473604 132017160 /nfs/dbraw/zinc/01/71/60/132017160.db2.gz YSRMJSHMOTYEFG-YOEHRIQHSA-N 1 0 319.408 3.916 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(-n2cccn2)c1 ZINC000297581163 132024388 /nfs/dbraw/zinc/02/43/88/132024388.db2.gz HDJVVQYYAQPUBP-KSSFIOAISA-N 1 0 319.408 3.916 20 10 DHCDRO CC(C)COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297831610 132035850 /nfs/dbraw/zinc/03/58/50/132035850.db2.gz RXZDQMDTRKJKPR-CVEARBPZSA-N 1 0 315.413 3.976 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Br)cc1)CC2 ZINC000297872457 132038449 /nfs/dbraw/zinc/03/84/49/132038449.db2.gz UQODAKBNLSQTOD-CQSZACIVSA-N 1 0 318.214 3.932 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875145 332964896 /nfs/dbraw/zinc/96/48/96/332964896.db2.gz NPDHORUTMSUCSE-HIFRSBDPSA-N 1 0 314.433 3.512 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875147 332964976 /nfs/dbraw/zinc/96/49/76/332964976.db2.gz NPDHORUTMSUCSE-UKRRQHHQSA-N 1 0 314.433 3.512 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261805 333206467 /nfs/dbraw/zinc/20/64/67/333206467.db2.gz QKBQOZVPHFLHQU-CQSZACIVSA-N 1 0 312.413 3.735 20 10 DHCDRO COCc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1F ZINC000185495517 333209234 /nfs/dbraw/zinc/20/92/34/333209234.db2.gz IVLJRHPYDIZTTF-ZDUSSCGKSA-N 1 0 303.377 3.837 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc2ccccc2c1O ZINC000186075368 333371961 /nfs/dbraw/zinc/37/19/61/333371961.db2.gz UUCOXDKBIOHWKT-UONOGXRCSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000296462472 335142220 /nfs/dbraw/zinc/14/22/20/335142220.db2.gz NJFUSJGGPGWKEC-JKSUJKDBSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(N2CCCCC2)cc1 ZINC000296636431 335145109 /nfs/dbraw/zinc/14/51/09/335145109.db2.gz BTKGIDUCVMVHOC-DLBZAZTESA-N 1 0 304.478 3.736 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCCCO)cc1 ZINC000296767665 335148060 /nfs/dbraw/zinc/14/80/60/335148060.db2.gz LGKYOADCSVEHFB-UHFFFAOYSA-N 1 0 318.486 3.589 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)cnn1C ZINC000263646404 333946782 /nfs/dbraw/zinc/94/67/82/333946782.db2.gz BWVIWWIOCHOXQN-CQSZACIVSA-N 1 0 321.424 3.952 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268970315 333996595 /nfs/dbraw/zinc/99/65/95/333996595.db2.gz MTMTTXGUSBLFTR-SFHVURJKSA-N 1 0 314.473 3.868 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464521 334047417 /nfs/dbraw/zinc/04/74/17/334047417.db2.gz IEUWGZNNKYQRIC-FUHWJXTLSA-N 1 0 301.361 3.541 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464617 334047425 /nfs/dbraw/zinc/04/74/25/334047425.db2.gz IHSWOBIPQUVIKQ-SJLPKXTDSA-N 1 0 319.351 3.680 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000295925046 334228545 /nfs/dbraw/zinc/22/85/45/334228545.db2.gz FGIANTKVXDEOKF-KRWDZBQOSA-N 1 0 319.351 3.846 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367056901 335607522 /nfs/dbraw/zinc/60/75/22/335607522.db2.gz CVTODJYPRWSQQX-YOEHRIQHSA-N 1 0 312.413 3.612 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2O)c(OC)c1 ZINC000103855231 336242774 /nfs/dbraw/zinc/24/27/74/336242774.db2.gz KFDCMZUICLCMCU-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000192927862 336284601 /nfs/dbraw/zinc/28/46/01/336284601.db2.gz VEUCCDHKVJVLNP-GOSISDBHSA-N 1 0 324.424 3.760 20 10 DHCDRO Cc1cccnc1C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000368273912 336841654 /nfs/dbraw/zinc/84/16/54/336841654.db2.gz PMRGVKZZDRHMHK-UHFFFAOYSA-N 1 0 302.805 3.570 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000369516010 336866305 /nfs/dbraw/zinc/86/63/05/336866305.db2.gz BTZYSQBTBSRIKP-SFHVURJKSA-N 1 0 311.425 3.827 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)c1O ZINC000375013358 337001574 /nfs/dbraw/zinc/00/15/74/337001574.db2.gz PXYHOVKZRQAHLY-UHFFFAOYSA-N 1 0 315.438 3.857 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375108451 337003516 /nfs/dbraw/zinc/00/35/16/337003516.db2.gz UHQBFJLMRICNAT-KYNGSXCRSA-N 1 0 302.462 3.608 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000375243240 337006310 /nfs/dbraw/zinc/00/63/10/337006310.db2.gz VWZARFYSHDYZNC-BMIGLBTASA-N 1 0 319.788 3.839 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375854394 337021542 /nfs/dbraw/zinc/02/15/42/337021542.db2.gz TWOIDZSVRHPJMG-LJQANCHMSA-N 1 0 324.472 3.813 20 10 DHCDRO COc1cccc(C[NH2+]C2CC(c3ccccc3F)C2)c1O ZINC000376740748 337040185 /nfs/dbraw/zinc/04/01/85/337040185.db2.gz YKCZGFQMQGNFBA-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000377406536 337052092 /nfs/dbraw/zinc/05/20/92/337052092.db2.gz AVIDGPNZANHNHP-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624218 337056708 /nfs/dbraw/zinc/05/67/08/337056708.db2.gz KLRJKGFPUHMXEH-SUNYJGFJSA-N 1 0 312.413 3.940 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631073 337056896 /nfs/dbraw/zinc/05/68/96/337056896.db2.gz SLSNMOQQJSVHPC-ZFWWWQNUSA-N 1 0 317.351 3.623 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@H]2CCCc3cccnc32)c1 ZINC000377690675 337058627 /nfs/dbraw/zinc/05/86/27/337058627.db2.gz DMOVQCHGKMYQQO-DYVFJYSZSA-N 1 0 312.413 3.866 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccc(C)o2)c1 ZINC000378445162 337073034 /nfs/dbraw/zinc/07/30/34/337073034.db2.gz SHZIIEDUUDCAOJ-OAHLLOKOSA-N 1 0 319.426 3.592 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1O ZINC000360001966 337083677 /nfs/dbraw/zinc/08/36/77/337083677.db2.gz XCPHFAYWTZFIAX-AWEZNQCLSA-N 1 0 307.397 3.644 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1O ZINC000183446461 337191762 /nfs/dbraw/zinc/19/17/62/337191762.db2.gz NODZMJQEZHSSFU-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000186176055 337254194 /nfs/dbraw/zinc/25/41/94/337254194.db2.gz PCJAHJLJCNAIQF-DCGLDWPTSA-N 1 0 313.397 3.616 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121199665 337396275 /nfs/dbraw/zinc/39/62/75/337396275.db2.gz YVKLKACWTRLNDQ-HNNXBMFYSA-N 1 0 307.397 3.648 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)OC)c1 ZINC000527924848 337775587 /nfs/dbraw/zinc/77/55/87/337775587.db2.gz ICZGROMNSGZSPP-XIKOKIGWSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000527929232 337776342 /nfs/dbraw/zinc/77/63/42/337776342.db2.gz PGKGPNSIJVALBF-LSDHHAIUSA-N 1 0 303.446 3.738 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758755 337908007 /nfs/dbraw/zinc/90/80/07/337908007.db2.gz FYKQOCDFWMYWAW-UHFFFAOYSA-N 1 0 309.837 3.969 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000191278914 521662267 /nfs/dbraw/zinc/66/22/67/521662267.db2.gz DUDFQUJBYJWCHE-UHFFFAOYSA-N 1 0 315.461 3.680 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)ccn1 ZINC000189598485 521733955 /nfs/dbraw/zinc/73/39/55/521733955.db2.gz XIKSYOVQWLSVBV-UHFFFAOYSA-N 1 0 302.443 3.806 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000266269863 522637450 /nfs/dbraw/zinc/63/74/50/522637450.db2.gz BMYIFPDMCSPUGO-YJBOKZPZSA-N 1 0 321.367 3.581 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000366418501 522853282 /nfs/dbraw/zinc/85/32/82/522853282.db2.gz NAZSBQYDJGJFIG-WMLDXEAASA-N 1 0 324.424 3.867 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317542 522924333 /nfs/dbraw/zinc/92/43/33/522924333.db2.gz KNMVURVDZIIFLV-HUUCEWRRSA-N 1 0 314.433 3.683 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](CC)c2ccccc2O)o1 ZINC000156014103 524032146 /nfs/dbraw/zinc/03/21/46/524032146.db2.gz ABXHBMIVYCPLFL-JKSUJKDBSA-N 1 0 303.402 3.976 20 10 DHCDRO COc1ccc(N2CCC([N@H+](C)Cc3ccc(C)o3)CC2)cc1 ZINC000367433502 524403321 /nfs/dbraw/zinc/40/33/21/524403321.db2.gz XVUQMXIRYBBIOD-UHFFFAOYSA-N 1 0 314.429 3.697 20 10 DHCDRO COc1ccc(O)c(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000180703301 524737382 /nfs/dbraw/zinc/73/73/82/524737382.db2.gz BAUIEJWHLZAWBY-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1c(O)cccc1Cl ZINC000131120175 524854476 /nfs/dbraw/zinc/85/44/76/524854476.db2.gz WFJLQAPDYDKTNW-HZMBPMFUSA-N 1 0 311.834 3.709 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180285499 525339245 /nfs/dbraw/zinc/33/92/45/525339245.db2.gz FHPWJQBIYNZLLY-FPTDNZKUSA-N 1 0 317.454 3.631 20 10 DHCDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000188758958 525357357 /nfs/dbraw/zinc/35/73/57/525357357.db2.gz URACGBSXXDDYCS-AWEZNQCLSA-N 1 0 312.404 3.609 20 10 DHCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186960 525395385 /nfs/dbraw/zinc/39/53/85/525395385.db2.gz HYAMVLCRDQPPLG-SNVBAGLBSA-N 1 0 312.404 3.630 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000131400415 525471827 /nfs/dbraw/zinc/47/18/27/525471827.db2.gz DBLZFATXZVQNTL-INIZCTEOSA-N 1 0 324.472 3.599 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157503919 525525637 /nfs/dbraw/zinc/52/56/37/525525637.db2.gz ZJHFBCLLEKGAQL-MRXNPFEDSA-N 1 0 312.461 3.507 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000183645265 525575112 /nfs/dbraw/zinc/57/51/12/525575112.db2.gz ZXMKSIFNKLWKRO-LIXBPZJASA-N 1 0 319.351 3.851 20 10 DHCDRO Oc1ccccc1C[N@H+](CC1=CCCOC1)C1CCCCC1 ZINC000156781600 526371233 /nfs/dbraw/zinc/37/12/33/526371233.db2.gz DFSNJCZBTONRPX-UHFFFAOYSA-N 1 0 301.430 3.874 20 10 DHCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(F)ccc1O)CCC2 ZINC000180148815 527111065 /nfs/dbraw/zinc/11/10/65/527111065.db2.gz ZGJYFEOGNHDJKO-CQSZACIVSA-N 1 0 306.406 3.806 20 10 DHCDRO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cc(C)ccc2O)cs1 ZINC000273584267 536514271 /nfs/dbraw/zinc/51/42/71/536514271.db2.gz NIFMTIVLYPFZHE-VXGBXAGGSA-N 1 0 306.431 3.715 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(C)cc1O ZINC000280272614 535807919 /nfs/dbraw/zinc/80/79/19/535807919.db2.gz YAMXTIQYGNITLI-WCQYABFASA-N 1 0 305.340 3.709 20 10 DHCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000272905132 536934652 /nfs/dbraw/zinc/93/46/52/536934652.db2.gz VUUPGWRLLYIAIU-IQUTYRLHSA-N 1 0 315.413 3.828 20 10 DHCDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)CCO1 ZINC000894419010 1013354278 /nfs/dbraw/zinc/35/42/78/1013354278.db2.gz FAGQLHSWPZWENE-SJORKVTESA-N 1 0 321.461 3.783 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000894491206 1013387565 /nfs/dbraw/zinc/38/75/65/1013387565.db2.gz LESNXOYQGBYNSA-DGCLKSJQSA-N 1 0 317.351 3.872 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](CO)C(C)(C)C ZINC000093821787 1013387598 /nfs/dbraw/zinc/38/75/98/1013387598.db2.gz QNDWJZADNHUAOZ-GOSISDBHSA-N 1 0 304.478 3.516 20 10 DHCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894783888 1013488651 /nfs/dbraw/zinc/48/86/51/1013488651.db2.gz ZKFFOJXFRFNEBF-INIZCTEOSA-N 1 0 300.402 3.687 20 10 DHCDRO COc1ccc(CN2Cc3ccc(Cl)cc3C2)c(O)c1OC ZINC000894866638 1013565482 /nfs/dbraw/zinc/56/54/82/1013565482.db2.gz ZLZLLLJYJJYKGZ-UHFFFAOYSA-N 1 0 319.788 3.579 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)C1(Br)CC1 ZINC000925101799 1013753278 /nfs/dbraw/zinc/75/32/78/1013753278.db2.gz JZWSPCPWJQWYOY-VIFPVBQESA-N 1 0 321.309 3.531 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2SCCS2)c1O ZINC000850561526 1021606349 /nfs/dbraw/zinc/60/63/49/1021606349.db2.gz OGFJPWPPUJRORN-VIFPVBQESA-N 1 0 303.880 3.811 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)cc1O ZINC000857081689 1022946035 /nfs/dbraw/zinc/94/60/35/1022946035.db2.gz QDHKPYVNNOCNQM-RKDXNWHRSA-N 1 0 320.177 3.851 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3CC=C4)cc2)CC1 ZINC001167434276 1014348175 /nfs/dbraw/zinc/34/81/75/1014348175.db2.gz GIMSQFSGYDEOBD-UHFFFAOYSA-N 1 0 319.452 3.620 20 10 DHCDRO CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160196664 1014364739 /nfs/dbraw/zinc/36/47/39/1014364739.db2.gz FZASETXSKSRDAU-HNNXBMFYSA-N 1 0 303.446 3.520 20 10 DHCDRO CN(C)c1ccc(CN(C)Cc2nc(C(C)(C)C)co2)cc1 ZINC000891397084 1014856123 /nfs/dbraw/zinc/85/61/23/1014856123.db2.gz KLKSUODISLCNQD-UHFFFAOYSA-N 1 0 301.434 3.670 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2c(F)cccc2F)c1 ZINC000846843495 1032107909 /nfs/dbraw/zinc/10/79/09/1032107909.db2.gz DSLGKLFTRPTMKY-GFCCVEGCSA-N 1 0 321.367 3.962 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1O ZINC000895454659 1015166267 /nfs/dbraw/zinc/16/62/67/1015166267.db2.gz OFNVSVGBMUYDCM-QGZVFWFLSA-N 1 0 319.445 3.633 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895580960 1015216525 /nfs/dbraw/zinc/21/65/25/1015216525.db2.gz JOODQHMSGQCWAM-JTQLQIEISA-N 1 0 324.833 3.500 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896529001 1015613384 /nfs/dbraw/zinc/61/33/84/1015613384.db2.gz VRDBVWYLSRSRNM-LLVKDONJSA-N 1 0 324.396 3.582 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000896531774 1015619570 /nfs/dbraw/zinc/61/95/70/1015619570.db2.gz OWLWIMIDDLXUQR-CQSZACIVSA-N 1 0 302.443 3.612 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2c(C)cccc2O)o1 ZINC000877396004 1033295182 /nfs/dbraw/zinc/29/51/82/1033295182.db2.gz QLSGULNPCRJFED-MRXNPFEDSA-N 1 0 301.386 3.777 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2C)cc1OC ZINC000896804033 1015746302 /nfs/dbraw/zinc/74/63/02/1015746302.db2.gz QQJTWVCCNMENNQ-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000237272524 1015789993 /nfs/dbraw/zinc/78/99/93/1015789993.db2.gz UFYKCHVNGPVOJV-HNNXBMFYSA-N 1 0 311.425 3.741 20 10 DHCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275372 1016130187 /nfs/dbraw/zinc/13/01/87/1016130187.db2.gz QBVIAPOFFLNMGM-RWMBFGLXSA-N 1 0 302.422 3.744 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2CC2)c1O ZINC000848518402 1016245240 /nfs/dbraw/zinc/24/52/40/1016245240.db2.gz KZSLBGVCEAPUKI-IUCAKERBSA-N 1 0 314.223 3.612 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000184835097 1016389362 /nfs/dbraw/zinc/38/93/62/1016389362.db2.gz IWAHDZNWYUXVQV-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834874 1016389805 /nfs/dbraw/zinc/38/98/05/1016389805.db2.gz HQELEWFFLLJIOV-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796838668 1016418623 /nfs/dbraw/zinc/41/86/23/1016418623.db2.gz JJSKXZQANZYHBY-YJBOKZPZSA-N 1 0 322.468 3.940 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CC(C)C ZINC000184949612 1016463747 /nfs/dbraw/zinc/46/37/47/1016463747.db2.gz ZCFFGIVFVHJKDV-LSDHHAIUSA-N 1 0 322.449 3.512 20 10 DHCDRO COc1ccc(O)c(CNc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000281400136 1016500341 /nfs/dbraw/zinc/50/03/41/1016500341.db2.gz XLGXSQTWOPULFW-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000185036390 1016524893 /nfs/dbraw/zinc/52/48/93/1016524893.db2.gz RCJWTFGVMCBSSH-OAHLLOKOSA-N 1 0 308.441 3.694 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000185080005 1016545997 /nfs/dbraw/zinc/54/59/97/1016545997.db2.gz CICFSMUKIDNVMH-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)COc2cccc(C)c2)c1 ZINC000185103782 1016565696 /nfs/dbraw/zinc/56/56/96/1016565696.db2.gz FYOAZPXZIGZOSC-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(F)ccc1O ZINC000185165638 1016693545 /nfs/dbraw/zinc/69/35/45/1016693545.db2.gz AANUWJBFZOXDGS-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000277581335 1016701859 /nfs/dbraw/zinc/70/18/59/1016701859.db2.gz UCPQOEWIDGKHFP-CYBMUJFWSA-N 1 0 317.260 3.615 20 10 DHCDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000072670348 1016802152 /nfs/dbraw/zinc/80/21/52/1016802152.db2.gz IWHFQJWMLQMFEB-QGZVFWFLSA-N 1 0 310.441 3.682 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)c1 ZINC000185572959 1017018619 /nfs/dbraw/zinc/01/86/19/1017018619.db2.gz RVGLTRXUJGYCCL-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000185575400 1017020366 /nfs/dbraw/zinc/02/03/66/1017020366.db2.gz CIFXDVXRSSYXOB-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185578912 1017028657 /nfs/dbraw/zinc/02/86/57/1017028657.db2.gz IVABUWGZUMLYNV-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO COC1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000840793314 1017040624 /nfs/dbraw/zinc/04/06/24/1017040624.db2.gz WVFZLKAPUPWYCU-IGEOTXOUSA-N 1 0 303.446 3.879 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000192742970 1017053411 /nfs/dbraw/zinc/05/34/11/1017053411.db2.gz HCDUWTBNNMOMQQ-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185638125 1017067663 /nfs/dbraw/zinc/06/76/63/1017067663.db2.gz UGYUYEBVMOFEDL-UHFFFAOYSA-N 1 0 321.424 3.533 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772978620 1032258308 /nfs/dbraw/zinc/25/83/08/1032258308.db2.gz GVZSLAPQMOKCDX-MGPUTAFESA-N 1 0 310.441 3.717 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000282730062 1032465774 /nfs/dbraw/zinc/46/57/74/1032465774.db2.gz MNEHYPWWHRJNHF-YJBOKZPZSA-N 1 0 302.462 3.753 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1 ZINC000773108114 1032561767 /nfs/dbraw/zinc/56/17/67/1032561767.db2.gz OYNCRAYZMSHDNE-QAPCUYQASA-N 1 0 306.494 3.836 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccco3)CC2)cc1 ZINC000160187295 1011960976 /nfs/dbraw/zinc/96/09/76/1011960976.db2.gz ISXREMZVBLVVIL-CQSZACIVSA-N 1 0 300.402 3.608 20 10 DHCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000281360250 1012330831 /nfs/dbraw/zinc/33/08/31/1012330831.db2.gz WAMFKXCZQUFGTE-SFHVURJKSA-N 1 0 314.404 3.677 20 10 DHCDRO C[N@H+](Cc1ccsc1)Cc1cc(Br)ccc1O ZINC000120448121 1012527381 /nfs/dbraw/zinc/52/73/81/1012527381.db2.gz BINADDNPDDMTSL-UHFFFAOYSA-N 1 0 312.232 3.848 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000037141558 1012839332 /nfs/dbraw/zinc/83/93/32/1012839332.db2.gz CBFFRGUCUONZRQ-RYUDHWBXSA-N 1 0 303.324 3.612 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000926904943 1032666930 /nfs/dbraw/zinc/66/69/30/1032666930.db2.gz KERNGYLXDZBAKP-HUBLWGQQSA-N 1 0 317.351 3.851 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1C ZINC000277776971 1017125270 /nfs/dbraw/zinc/12/52/70/1017125270.db2.gz YQYGSNJXIKBDOM-ICSRJNTNSA-N 1 0 311.425 3.871 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2c(F)cc(C)cc2F)c1O ZINC000897214102 1017159295 /nfs/dbraw/zinc/15/92/95/1017159295.db2.gz WAFZRJXNPUKMOG-UHFFFAOYSA-N 1 0 307.340 3.586 20 10 DHCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000115629597 1032685047 /nfs/dbraw/zinc/68/50/47/1032685047.db2.gz ZRFZDBMVUPYPCH-UHFFFAOYSA-N 1 0 324.428 3.642 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000192915197 1017225659 /nfs/dbraw/zinc/22/56/59/1017225659.db2.gz ABFOYMDYJYKARO-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000716294593 1032693482 /nfs/dbraw/zinc/69/34/82/1032693482.db2.gz WCHXPTJJMFRVTQ-AEFFLSMTSA-N 1 0 310.441 3.626 20 10 DHCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000237311843 1017455858 /nfs/dbraw/zinc/45/58/58/1017455858.db2.gz NJZDQMZRXYETQV-INIZCTEOSA-N 1 0 324.468 3.886 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC000840935063 1017517748 /nfs/dbraw/zinc/51/77/48/1017517748.db2.gz DCBUFNGLGQFCCM-UHFFFAOYSA-N 1 0 310.441 3.849 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000186001109 1017613402 /nfs/dbraw/zinc/61/34/02/1017613402.db2.gz ZSMKCDZKPGQRDJ-SNVBAGLBSA-N 1 0 311.303 3.539 20 10 DHCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(C2=CCOCC2)cc1 ZINC001167624419 1017694478 /nfs/dbraw/zinc/69/44/78/1017694478.db2.gz HMRHZWMTOZISPP-UHFFFAOYSA-N 1 0 314.473 3.975 20 10 DHCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701061510 1017997426 /nfs/dbraw/zinc/99/74/26/1017997426.db2.gz YSVXDIANKAFKOW-RYUDHWBXSA-N 1 0 316.264 3.528 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000766072902 1018149103 /nfs/dbraw/zinc/14/91/03/1018149103.db2.gz OBPAERCKALZZNQ-AWEZNQCLSA-N 1 0 320.483 3.911 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926917249 1032748181 /nfs/dbraw/zinc/74/81/81/1032748181.db2.gz SZZGXJYQIVALIJ-NURSFMCSSA-N 1 0 321.314 3.682 20 10 DHCDRO CCN(CC)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764542667 1018310371 /nfs/dbraw/zinc/31/03/71/1018310371.db2.gz AAQHNOCJTJQGQZ-INIZCTEOSA-N 1 0 321.484 3.808 20 10 DHCDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000764618448 1018329727 /nfs/dbraw/zinc/32/97/27/1018329727.db2.gz NCUKODSOZYAPDZ-SFHVURJKSA-N 1 0 315.505 3.813 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764880061 1018417565 /nfs/dbraw/zinc/41/75/65/1018417565.db2.gz AAHWAFZPPDOIAI-APWZRJJASA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000765083269 1018468407 /nfs/dbraw/zinc/46/84/07/1018468407.db2.gz ZJIAGBUFMXCLSX-GOSISDBHSA-N 1 0 304.503 3.764 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCOC3(CCCC3)C2)cc1C(C)C ZINC000765103410 1018475249 /nfs/dbraw/zinc/47/52/49/1018475249.db2.gz OVIHSDMKFZHKKD-UHFFFAOYSA-N 1 0 303.446 3.969 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCCC13CCCC3)OCO2 ZINC000320731532 1018495913 /nfs/dbraw/zinc/49/59/13/1018495913.db2.gz RZCCZZHDXLTLIV-KRWDZBQOSA-N 1 0 303.402 3.714 20 10 DHCDRO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1O ZINC000157022617 1018578810 /nfs/dbraw/zinc/57/88/10/1018578810.db2.gz KOXFCQBMQTWMFS-QGZVFWFLSA-N 1 0 312.413 3.913 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1F ZINC000858128458 1032773019 /nfs/dbraw/zinc/77/30/19/1032773019.db2.gz OBBPGSNXHBEJDG-KRWDZBQOSA-N 1 0 320.358 3.947 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278388052 1018647054 /nfs/dbraw/zinc/64/70/54/1018647054.db2.gz AARTWGOHUAUUGK-PIGZYNQJSA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000765262662 1018735378 /nfs/dbraw/zinc/73/53/78/1018735378.db2.gz XJVCACJZXHABPD-FZKQIMNGSA-N 1 0 318.848 3.790 20 10 DHCDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280836 1018745330 /nfs/dbraw/zinc/74/53/30/1018745330.db2.gz CSEDQNAKDVINKH-APWZRJJASA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765279134 1018745427 /nfs/dbraw/zinc/74/54/27/1018745427.db2.gz FRAQXAVILOFDMX-PKOBYXMFSA-N 1 0 315.505 3.812 20 10 DHCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765475415 1018800428 /nfs/dbraw/zinc/80/04/28/1018800428.db2.gz TYQZTGARPYUQBI-WBVHZDCISA-N 1 0 322.468 3.874 20 10 DHCDRO OCCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921772823 1018803113 /nfs/dbraw/zinc/80/31/13/1018803113.db2.gz SMHHAMARLRJQNX-LJQANCHMSA-N 1 0 311.425 3.615 20 10 DHCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765473824 1018803814 /nfs/dbraw/zinc/80/38/14/1018803814.db2.gz JRQWUQFVTRIIMC-APWZRJJASA-N 1 0 304.478 3.735 20 10 DHCDRO OCCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921772739 1018804448 /nfs/dbraw/zinc/80/44/48/1018804448.db2.gz SMHHAMARLRJQNX-IBGZPJMESA-N 1 0 311.425 3.615 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858182799 1032793635 /nfs/dbraw/zinc/79/36/35/1032793635.db2.gz IMEAYLZIAUKLCI-IPZZXCBHSA-N 1 0 314.473 3.546 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765937958 1018914779 /nfs/dbraw/zinc/91/47/79/1018914779.db2.gz YFSSDWSGMAXYHN-UZLBHIALSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765946122 1018957256 /nfs/dbraw/zinc/95/72/56/1018957256.db2.gz NSEZHJKMBQDHNA-DOXZYTNZSA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cc(Cl)cc2c1OCC2 ZINC000922986211 1018964089 /nfs/dbraw/zinc/96/40/89/1018964089.db2.gz FBGYNAORCMSMOF-LLVKDONJSA-N 1 0 303.789 3.831 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(C)nn(CC)c2C)cc1 ZINC000765661262 1019033309 /nfs/dbraw/zinc/03/33/09/1019033309.db2.gz XXURUMGUHBTTKD-AWEZNQCLSA-N 1 0 314.477 3.827 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000765678846 1019035504 /nfs/dbraw/zinc/03/55/04/1019035504.db2.gz BEPHIDKOKUKXCD-KXBFYZLASA-N 1 0 304.478 3.735 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1F ZINC000858207909 1032804699 /nfs/dbraw/zinc/80/46/99/1032804699.db2.gz XYVDLJFMETXTSG-HNNXBMFYSA-N 1 0 308.441 3.578 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c1 ZINC000858236949 1032810779 /nfs/dbraw/zinc/81/07/79/1032810779.db2.gz BLEPNLOBKQNGPG-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765960152 1019176978 /nfs/dbraw/zinc/17/69/78/1019176978.db2.gz UXBPNMXFVJLRAX-HNAYVOBHSA-N 1 0 320.452 3.893 20 10 DHCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765962609 1019193825 /nfs/dbraw/zinc/19/38/25/1019193825.db2.gz ULXFBRCWCUDSEG-SJLPKXTDSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948926 1019196727 /nfs/dbraw/zinc/19/67/27/1019196727.db2.gz GPTZTKCVGRWKSY-XJKSGUPXSA-N 1 0 317.454 3.675 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948923 1019197101 /nfs/dbraw/zinc/19/71/01/1019197101.db2.gz GPTZTKCVGRWKSY-CJNGLKHVSA-N 1 0 317.454 3.675 20 10 DHCDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921996165 1019283815 /nfs/dbraw/zinc/28/38/15/1019283815.db2.gz YJTZXGZKRPHWMV-GFCCVEGCSA-N 1 0 302.443 3.670 20 10 DHCDRO c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc2c1OCC2 ZINC000136729713 1019329394 /nfs/dbraw/zinc/32/93/94/1019329394.db2.gz ZCHKRBGFYQIROT-KRWDZBQOSA-N 1 0 301.430 3.593 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(Cl)cc2)cc1OC ZINC000158833982 1019396418 /nfs/dbraw/zinc/39/64/18/1019396418.db2.gz TYOOBKQSPUJXSN-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1O ZINC000132246321 1019485783 /nfs/dbraw/zinc/48/57/83/1019485783.db2.gz APTJDJSUCYHIPU-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000858296187 1032836036 /nfs/dbraw/zinc/83/60/36/1032836036.db2.gz LAWXIYQXJCKJPN-AKAXFMLLSA-N 1 0 319.489 3.848 20 10 DHCDRO COC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001168764805 1019548514 /nfs/dbraw/zinc/54/85/14/1019548514.db2.gz RFAWGMVQSUSSQJ-ASFAAARLSA-N 1 0 318.461 3.525 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000132363245 1019628892 /nfs/dbraw/zinc/62/88/92/1019628892.db2.gz GTCLIBWFIOPUOU-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO FC(F)OC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922166775 1019744523 /nfs/dbraw/zinc/74/45/23/1019744523.db2.gz JMVXEEHKKZZKTA-UHFFFAOYSA-N 1 0 311.372 3.652 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922215700 1019894007 /nfs/dbraw/zinc/89/40/07/1019894007.db2.gz FAGYJTWGBHNTOR-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000922283613 1019963241 /nfs/dbraw/zinc/96/32/41/1019963241.db2.gz FKBQTDKONJFMJB-WMZOPIPTSA-N 1 0 303.446 3.776 20 10 DHCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892417607 1020053474 /nfs/dbraw/zinc/05/34/74/1020053474.db2.gz FPOFTYKCYPNQOW-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO CCOc1cccc(C[NH2+]CC2CCC(SC)CC2)c1O ZINC000922418591 1020068872 /nfs/dbraw/zinc/06/88/72/1020068872.db2.gz DCSCMJCQWVCIOB-UHFFFAOYSA-N 1 0 309.475 3.802 20 10 DHCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000765991283 1020101537 /nfs/dbraw/zinc/10/15/37/1020101537.db2.gz CSCFUWPVBJHIQQ-OAHLLOKOSA-N 1 0 312.461 3.813 20 10 DHCDRO Oc1ccc(Cl)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000922525274 1020114625 /nfs/dbraw/zinc/11/46/25/1020114625.db2.gz KWNNJLLNSDVEDS-CZUORRHYSA-N 1 0 307.752 3.607 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000922537475 1020118911 /nfs/dbraw/zinc/11/89/11/1020118911.db2.gz GSYPIUITOSHGRH-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO Cc1cc(C)n(CC[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731848322 1020156385 /nfs/dbraw/zinc/15/63/85/1020156385.db2.gz VTRVTPXADLDMRO-UHFFFAOYSA-N 1 0 313.445 3.650 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264229840 1032881930 /nfs/dbraw/zinc/88/19/30/1032881930.db2.gz AIBDQCTYHNADKL-CQSZACIVSA-N 1 0 321.424 3.952 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000186264304 1020194476 /nfs/dbraw/zinc/19/44/76/1020194476.db2.gz GSHFFPJGRKQGNO-DZGCQCFKSA-N 1 0 322.449 3.736 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000732184566 1020208544 /nfs/dbraw/zinc/20/85/44/1020208544.db2.gz CVYLSJNXLGARSK-GOEBONIOSA-N 1 0 305.462 3.997 20 10 DHCDRO COc1cccc(CNc2ccc(Cl)c(C[NH+](C)C)c2)c1O ZINC000282367375 1020217603 /nfs/dbraw/zinc/21/76/03/1020217603.db2.gz WRMFQHYTZVFKQK-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCC3CC=CC3)CC2)cc1 ZINC000922735955 1020238635 /nfs/dbraw/zinc/23/86/35/1020238635.db2.gz XWFHOJAVKRARMI-UHFFFAOYSA-N 1 0 300.446 3.610 20 10 DHCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000765808901 1020294510 /nfs/dbraw/zinc/29/45/10/1020294510.db2.gz LQVHCCQHHKPCNV-RTBURBONSA-N 1 0 316.489 3.969 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC(C)C ZINC000733324157 1020369767 /nfs/dbraw/zinc/36/97/67/1020369767.db2.gz KHEIEDJOWTUTFM-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000733325227 1020375178 /nfs/dbraw/zinc/37/51/78/1020375178.db2.gz FPNYNAXCXAZFCZ-INIZCTEOSA-N 1 0 301.361 3.843 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1C ZINC000733331833 1020376830 /nfs/dbraw/zinc/37/68/30/1020376830.db2.gz JFUZPQWJSBGWII-MRXNPFEDSA-N 1 0 313.397 3.626 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1O)CCO2 ZINC000186694282 1020399828 /nfs/dbraw/zinc/39/98/28/1020399828.db2.gz YKQSNVBLFIAMIE-DYVFJYSZSA-N 1 0 313.397 3.965 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000179558660 1020407575 /nfs/dbraw/zinc/40/75/75/1020407575.db2.gz BBQHQXXYEUGRNS-FQEVSTJZSA-N 1 0 304.393 3.799 20 10 DHCDRO CCCc1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000733613779 1020418424 /nfs/dbraw/zinc/41/84/24/1020418424.db2.gz LALHUPGCEQVDOB-UHFFFAOYSA-N 1 0 315.417 3.673 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c2c(n1)CCCC2 ZINC000892475483 1020427888 /nfs/dbraw/zinc/42/78/88/1020427888.db2.gz JHSAKLCMOKSBIX-UHFFFAOYSA-N 1 0 309.457 3.625 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1C ZINC000858454012 1032901789 /nfs/dbraw/zinc/90/17/89/1032901789.db2.gz SRFZVAARYLNCNU-QAPCUYQASA-N 1 0 311.425 3.801 20 10 DHCDRO CCn1cc(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)cn1 ZINC000733791013 1020445538 /nfs/dbraw/zinc/44/55/38/1020445538.db2.gz XEFZRQKZDZADKM-UHFFFAOYSA-N 1 0 315.461 3.847 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(N(C)C)cc1 ZINC000858452036 1032903397 /nfs/dbraw/zinc/90/33/97/1032903397.db2.gz HOAYOFNMLYJAOI-QRWLVFNGSA-N 1 0 310.441 3.545 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1C ZINC000858454013 1032903760 /nfs/dbraw/zinc/90/37/60/1032903760.db2.gz SRFZVAARYLNCNU-YJBOKZPZSA-N 1 0 311.425 3.801 20 10 DHCDRO CCC[N@H+](CCc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000766026866 1020478663 /nfs/dbraw/zinc/47/86/63/1020478663.db2.gz BSEBWHZXZFLFQA-UHFFFAOYSA-N 1 0 319.426 3.637 20 10 DHCDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000766030908 1020496022 /nfs/dbraw/zinc/49/60/22/1020496022.db2.gz XSTCABSRSPHQPU-GFCCVEGCSA-N 1 0 303.475 3.985 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000158091575 1020499176 /nfs/dbraw/zinc/49/91/76/1020499176.db2.gz VFHDFRQDHHXECM-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)cs1 ZINC000186868402 1020513310 /nfs/dbraw/zinc/51/33/10/1020513310.db2.gz QDDVMPQQRNRHBA-QGZVFWFLSA-N 1 0 314.454 3.983 20 10 DHCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765868069 1020532711 /nfs/dbraw/zinc/53/27/11/1020532711.db2.gz OUSQAWOBYCSQKI-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734005032 1020544604 /nfs/dbraw/zinc/54/46/04/1020544604.db2.gz PFDIHFHBMQOQPQ-MJGOQNOKSA-N 1 0 316.489 3.829 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(N(C)C)cc1 ZINC000765902150 1020548888 /nfs/dbraw/zinc/54/88/88/1020548888.db2.gz AIXSFUVASVFAAR-RBUKOAKNSA-N 1 0 303.494 3.668 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)cc1F ZINC000734161720 1020570139 /nfs/dbraw/zinc/57/01/39/1020570139.db2.gz XAIWZXUBLUVATI-UHFFFAOYSA-N 1 0 316.420 3.839 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000135921913 1020576491 /nfs/dbraw/zinc/57/64/91/1020576491.db2.gz HOHZVYKJKKXPSB-UHFFFAOYSA-N 1 0 300.789 3.859 20 10 DHCDRO Oc1c(C[NH+]2CCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000200225318 1032914521 /nfs/dbraw/zinc/91/45/21/1032914521.db2.gz GVYWHMMAACOKBB-UHFFFAOYSA-N 1 0 318.420 3.868 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)c1 ZINC000858488193 1032915368 /nfs/dbraw/zinc/91/53/68/1032915368.db2.gz POOSQAFUGBTIKP-CQSZACIVSA-N 1 0 314.429 3.733 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000691407465 1020648597 /nfs/dbraw/zinc/64/85/97/1020648597.db2.gz PTSFPWNNJDTJFG-OAHLLOKOSA-N 1 0 318.214 3.932 20 10 DHCDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178113964 1020940311 /nfs/dbraw/zinc/94/03/11/1020940311.db2.gz USYMTKCEQNQORF-VQIMIIECSA-N 1 0 304.478 3.735 20 10 DHCDRO CCC1(O)CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000742175846 1021098505 /nfs/dbraw/zinc/09/85/05/1021098505.db2.gz PAJXODJYTMXLAF-UHFFFAOYSA-N 1 0 305.462 3.735 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCSC2)c(C)n1-c1cccc(C)c1 ZINC000742383036 1021109466 /nfs/dbraw/zinc/10/94/66/1021109466.db2.gz RVGFZHKIUQEOLU-KRWDZBQOSA-N 1 0 300.471 3.998 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCCC2 ZINC000742390656 1021111210 /nfs/dbraw/zinc/11/12/10/1021111210.db2.gz KZKZCCZEOHHSDT-HOTGVXAUSA-N 1 0 309.837 3.873 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1C ZINC000742371796 1021113564 /nfs/dbraw/zinc/11/35/64/1021113564.db2.gz DMOXNWCRHCSTJP-BFUOFWGJSA-N 1 0 305.462 3.676 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@](C)(CC)c2nc(C)cs2)c(O)c1 ZINC000742374319 1021114078 /nfs/dbraw/zinc/11/40/78/1021114078.db2.gz VEQQFMYJPOZOFV-KRWDZBQOSA-N 1 0 320.458 3.971 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)c(O)c1 ZINC000742374126 1021114247 /nfs/dbraw/zinc/11/42/47/1021114247.db2.gz ZIGXTQQMEOKSQT-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Cc1cccs1 ZINC000742375477 1021114648 /nfs/dbraw/zinc/11/46/48/1021114648.db2.gz PCXOTFREVDCWDS-ZDUSSCGKSA-N 1 0 306.450 3.922 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742379349 1021116326 /nfs/dbraw/zinc/11/63/26/1021116326.db2.gz WFSJAKISJSSOMW-GBESFXJTSA-N 1 0 314.473 3.582 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000858592815 1032956876 /nfs/dbraw/zinc/95/68/76/1032956876.db2.gz LUFGQKUDAQQEMT-SUHUHFCYSA-N 1 0 317.351 3.877 20 10 DHCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743839865 1021375107 /nfs/dbraw/zinc/37/51/07/1021375107.db2.gz FVKHILLQBOKYLJ-HXUWFJFHSA-N 1 0 312.457 3.617 20 10 DHCDRO CCSCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743870873 1021397055 /nfs/dbraw/zinc/39/70/55/1021397055.db2.gz FJNCPJBWUZYDCY-UHFFFAOYSA-N 1 0 318.280 3.730 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccnc2)cc1F ZINC000182032466 1021443944 /nfs/dbraw/zinc/44/39/44/1021443944.db2.gz QWGJJYQXRPKGJB-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236606514 1021458657 /nfs/dbraw/zinc/45/86/57/1021458657.db2.gz SLMQSGVXMUWYPH-WOJBJXKFSA-N 1 0 316.489 3.828 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850318262 1021473449 /nfs/dbraw/zinc/47/34/49/1021473449.db2.gz QVEPEDMVGLUFRV-KZULUSFZSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850325808 1021475095 /nfs/dbraw/zinc/47/50/95/1021475095.db2.gz OTLQEUGYEDESID-RDBSUJKOSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)cs3)C2)cc1 ZINC000850347104 1021480983 /nfs/dbraw/zinc/48/09/83/1021480983.db2.gz NKYOLONKKQZJSF-ZDUSSCGKSA-N 1 0 322.861 3.779 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccnc3ccccc23)c1 ZINC000850356175 1021486329 /nfs/dbraw/zinc/48/63/29/1021486329.db2.gz PPYCWBIQLNCGJT-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368339 1021489990 /nfs/dbraw/zinc/48/99/90/1021489990.db2.gz BUGUSFJORTYQEI-VQTJNVASSA-N 1 0 310.441 3.801 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367467 1021490367 /nfs/dbraw/zinc/49/03/67/1021490367.db2.gz JWOZZSMVCJOIIN-SFHVURJKSA-N 1 0 309.409 3.860 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000154695922 1021500278 /nfs/dbraw/zinc/50/02/78/1021500278.db2.gz JQPANJHMIZXKOX-HNNXBMFYSA-N 1 0 313.445 3.787 20 10 DHCDRO c1ccc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000850386822 1021503103 /nfs/dbraw/zinc/50/31/03/1021503103.db2.gz SPYPBAWAROTXPY-VQIMIIECSA-N 1 0 308.425 3.518 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000850388877 1021505683 /nfs/dbraw/zinc/50/56/83/1021505683.db2.gz QVKDLLBKCAQPFS-IAGOWNOFSA-N 1 0 319.445 3.617 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1CCC(O)CC1 ZINC000850395024 1021507653 /nfs/dbraw/zinc/50/76/53/1021507653.db2.gz LXKJTLNMNPACRU-UHFFFAOYSA-N 1 0 311.425 3.700 20 10 DHCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405989 1021513692 /nfs/dbraw/zinc/51/36/92/1021513692.db2.gz NGASGZIXBWPHBG-WMZOPIPTSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)C1 ZINC000850405911 1021514369 /nfs/dbraw/zinc/51/43/69/1021514369.db2.gz KCGSKJFREICFME-VQFNDLOPSA-N 1 0 316.489 3.562 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850408755 1021516121 /nfs/dbraw/zinc/51/61/21/1021516121.db2.gz DTJDKMAHNSHCJY-OAUYIBNBSA-N 1 0 303.764 3.613 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(CCO)CCCC2)cc1F ZINC000744449401 1021549992 /nfs/dbraw/zinc/54/99/92/1021549992.db2.gz WBNXMAQTBDGAOT-UHFFFAOYSA-N 1 0 322.468 3.704 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(CC)CCOCC2)ccc1OC ZINC000744449685 1021550313 /nfs/dbraw/zinc/55/03/13/1021550313.db2.gz BODPXDHQJDHPNR-UHFFFAOYSA-N 1 0 321.461 3.528 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccsc3)C2)cc1 ZINC000850486640 1021559480 /nfs/dbraw/zinc/55/94/80/1021559480.db2.gz CLJNICDOUJNMIA-HIFRSBDPSA-N 1 0 302.443 3.686 20 10 DHCDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000850500452 1021563418 /nfs/dbraw/zinc/56/34/18/1021563418.db2.gz DLFHMFITLQLIGA-ZDUSSCGKSA-N 1 0 309.450 3.629 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000850505851 1021565848 /nfs/dbraw/zinc/56/58/48/1021565848.db2.gz ZNSDXRAWFHDMMQ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=CCC2)c1O ZINC000850507732 1021566357 /nfs/dbraw/zinc/56/63/57/1021566357.db2.gz KNJPRPIDROCUJC-GXSJLCMTSA-N 1 0 312.207 3.533 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1O ZINC000850505065 1021566498 /nfs/dbraw/zinc/56/64/98/1021566498.db2.gz LZLFXKWLFSIIEE-XHDPSFHLSA-N 1 0 317.351 3.933 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850515485 1021572879 /nfs/dbraw/zinc/57/28/79/1021572879.db2.gz LOQLAXAAQGLZNB-GWCFXTLKSA-N 1 0 317.351 3.613 20 10 DHCDRO CC(C)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000236626736 1021576662 /nfs/dbraw/zinc/57/66/62/1021576662.db2.gz ZITZKTBAHQJAGP-MRXNPFEDSA-N 1 0 313.397 3.998 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850534772 1021586910 /nfs/dbraw/zinc/58/69/10/1021586910.db2.gz QVZHDYHGBDQORN-XKQJLSEDSA-N 1 0 324.415 3.608 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535914 1021590471 /nfs/dbraw/zinc/59/04/71/1021590471.db2.gz DRLQXSUVLOJHBY-UFBFGSQYSA-N 1 0 320.177 3.851 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535913 1021590689 /nfs/dbraw/zinc/59/06/89/1021590689.db2.gz DRLQXSUVLOJHBY-QPUJVOFHSA-N 1 0 320.177 3.851 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850541424 1021595649 /nfs/dbraw/zinc/59/56/49/1021595649.db2.gz ZQZZWVIDZXIOJG-SUMWQHHRSA-N 1 0 306.425 3.502 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C)cc1O ZINC000850551469 1021599862 /nfs/dbraw/zinc/59/98/62/1021599862.db2.gz SAESBWGXJOVTCL-QGZVFWFLSA-N 1 0 313.445 3.943 20 10 DHCDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850553654 1021600588 /nfs/dbraw/zinc/60/05/88/1021600588.db2.gz AANYIQUINAAYER-FASAQXTFSA-N 1 0 317.404 3.940 20 10 DHCDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565415 1021609468 /nfs/dbraw/zinc/60/94/68/1021609468.db2.gz DNELUEOWKMAOIO-WOJBJXKFSA-N 1 0 316.489 3.562 20 10 DHCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567549 1021610398 /nfs/dbraw/zinc/61/03/98/1021610398.db2.gz FLUBLCATQRAWMU-XLIONFOSSA-N 1 0 316.489 3.706 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000850568343 1021610835 /nfs/dbraw/zinc/61/08/35/1021610835.db2.gz VVQQJLHTSAUIKC-IBGZPJMESA-N 1 0 318.505 3.952 20 10 DHCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567756 1021611402 /nfs/dbraw/zinc/61/14/02/1021611402.db2.gz IMBPTZHNRXDGDS-VQTJNVASSA-N 1 0 316.489 3.706 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)C2CCCCC2)c1O ZINC000850570277 1021612288 /nfs/dbraw/zinc/61/22/88/1021612288.db2.gz SSSISSBRIDMXLI-DYVFJYSZSA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2O ZINC000850569743 1021613261 /nfs/dbraw/zinc/61/32/61/1021613261.db2.gz ALEHUIDVSZDSPZ-GXSJLCMTSA-N 1 0 313.463 3.865 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000182430627 1021645467 /nfs/dbraw/zinc/64/54/67/1021645467.db2.gz SNXOHONTAMIMKQ-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSc2ccccc2F)c1 ZINC000182445932 1021655792 /nfs/dbraw/zinc/65/57/92/1021655792.db2.gz UIKGECDRDQJXQW-LBPRGKRZSA-N 1 0 321.417 3.983 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSc2ccc(F)cc2)c1 ZINC000182461703 1021665474 /nfs/dbraw/zinc/66/54/74/1021665474.db2.gz OROXOOOXXWVPJS-LBPRGKRZSA-N 1 0 321.417 3.983 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000182466880 1021674002 /nfs/dbraw/zinc/67/40/02/1021674002.db2.gz GPFLIOYEPKMWHL-DIFFPNOSSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1cccc(C[NH2+]CCCCCC(=O)OC(C)(C)C)c1O ZINC000182482278 1021683590 /nfs/dbraw/zinc/68/35/90/1021683590.db2.gz LMYGZMGOBHBZQD-UHFFFAOYSA-N 1 0 307.434 3.692 20 10 DHCDRO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccccc1O ZINC000109770814 1021747442 /nfs/dbraw/zinc/74/74/42/1021747442.db2.gz AXCXRONJFAVRIK-LBPRGKRZSA-N 1 0 318.804 3.505 20 10 DHCDRO Cc1noc(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797463 1021749903 /nfs/dbraw/zinc/74/99/03/1021749903.db2.gz AIXGJXQKPWMSMN-UHFFFAOYSA-N 1 0 300.402 3.942 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000109873261 1021799746 /nfs/dbraw/zinc/79/97/46/1021799746.db2.gz QNUJFHJEMMHZJQ-UHFFFAOYSA-N 1 0 324.193 3.626 20 10 DHCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCCSc1nccs1 ZINC000893045738 1021832494 /nfs/dbraw/zinc/83/24/94/1021832494.db2.gz VYHZCAIEODHTDT-UHFFFAOYSA-N 1 0 324.519 3.809 20 10 DHCDRO CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000155052151 1021846699 /nfs/dbraw/zinc/84/66/99/1021846699.db2.gz NQMFXWBLSQSWRB-IBGZPJMESA-N 1 0 321.424 3.861 20 10 DHCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000070939642 1021953161 /nfs/dbraw/zinc/95/31/61/1021953161.db2.gz HPJGNSUPSUPQKM-AWEZNQCLSA-N 1 0 301.459 3.903 20 10 DHCDRO CC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C[C@@H]1CCCO1 ZINC000919945970 1021983761 /nfs/dbraw/zinc/98/37/61/1021983761.db2.gz VCCFBBPPVOQUAT-INIZCTEOSA-N 1 0 305.462 3.999 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000070976153 1021997813 /nfs/dbraw/zinc/99/78/13/1021997813.db2.gz GXRDQLUDFPVHCQ-GOSISDBHSA-N 1 0 315.388 3.713 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2nccc3ccccc32)n1 ZINC000752264255 1022046704 /nfs/dbraw/zinc/04/67/04/1022046704.db2.gz DFDXRTYFDILYHG-UHFFFAOYSA-N 1 0 315.467 3.963 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852084192 1022068718 /nfs/dbraw/zinc/06/87/18/1022068718.db2.gz QQRLVOVXRUXDQM-GOSISDBHSA-N 1 0 309.457 3.917 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC000852083843 1022069300 /nfs/dbraw/zinc/06/93/00/1022069300.db2.gz MHVMSDNISFZKAG-GOSISDBHSA-N 1 0 309.457 3.836 20 10 DHCDRO COc1ccc(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)cc1C ZINC000920181186 1022071327 /nfs/dbraw/zinc/07/13/27/1022071327.db2.gz GHGWRADTMOQIIN-OAHLLOKOSA-N 1 0 304.478 3.604 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H](C)c2ccncc2)ccc1OC ZINC000749298738 1022073816 /nfs/dbraw/zinc/07/38/16/1022073816.db2.gz WZIBHGXDWOHPKL-OAHLLOKOSA-N 1 0 314.429 3.520 20 10 DHCDRO C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000766402241 1022094422 /nfs/dbraw/zinc/09/44/22/1022094422.db2.gz BBCPQMPTMMVDEI-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000766437503 1022113968 /nfs/dbraw/zinc/11/39/68/1022113968.db2.gz OINUHJDRPRKYLR-GBESFXJTSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000766456665 1022118051 /nfs/dbraw/zinc/11/80/51/1022118051.db2.gz LPZNNEOUDNFVBU-CYBMUJFWSA-N 1 0 320.383 3.760 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000183375922 1022121700 /nfs/dbraw/zinc/12/17/00/1022121700.db2.gz DAGALEUEWIEWFX-GOSISDBHSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000183414776 1022137194 /nfs/dbraw/zinc/13/71/94/1022137194.db2.gz YBPMOLZCQPTEET-INIZCTEOSA-N 1 0 311.425 3.791 20 10 DHCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000180505202 1022144541 /nfs/dbraw/zinc/14/45/41/1022144541.db2.gz ZNZLSXZZLZRQPS-HNNXBMFYSA-N 1 0 312.461 3.805 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccccc1O ZINC000183514016 1022166489 /nfs/dbraw/zinc/16/64/89/1022166489.db2.gz OYOBNHCKXFHXME-AEFFLSMTSA-N 1 0 310.441 3.707 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000183632412 1022217598 /nfs/dbraw/zinc/21/75/98/1022217598.db2.gz CGRMPTNELBODLR-CABCVRRESA-N 1 0 314.404 3.851 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1F ZINC000853095935 1022220921 /nfs/dbraw/zinc/22/09/21/1022220921.db2.gz FWBNHDBIKNVWAA-UHFFFAOYSA-N 1 0 306.347 3.960 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241913 1022241341 /nfs/dbraw/zinc/24/13/41/1022241341.db2.gz YSFTWMVCEBYGTK-YJBOKZPZSA-N 1 0 320.452 3.694 20 10 DHCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178345781 1022255137 /nfs/dbraw/zinc/25/51/37/1022255137.db2.gz XROGYHAZTVYSOH-QFBILLFUSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000766600111 1022260442 /nfs/dbraw/zinc/26/04/42/1022260442.db2.gz DHYBXKFFXQEUKK-QGZVFWFLSA-N 1 0 309.457 3.965 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1O ZINC000853544648 1022289314 /nfs/dbraw/zinc/28/93/14/1022289314.db2.gz XRRJAOBXIZDLPG-MRXNPFEDSA-N 1 0 301.361 3.795 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccncc2)c1O ZINC000853629400 1022302450 /nfs/dbraw/zinc/30/24/50/1022302450.db2.gz JMIFRGMGJMMUGV-LJQANCHMSA-N 1 0 324.424 3.831 20 10 DHCDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccccc1O ZINC000183725068 1022327199 /nfs/dbraw/zinc/32/71/99/1022327199.db2.gz YLYQCKFFZJVXOH-CQSZACIVSA-N 1 0 307.397 3.644 20 10 DHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)CCC2 ZINC000363859373 1022344749 /nfs/dbraw/zinc/34/47/49/1022344749.db2.gz FTZFIONDRDPPKH-HZPDHXFCSA-N 1 0 313.445 3.742 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861440 1022347929 /nfs/dbraw/zinc/34/79/29/1022347929.db2.gz WQYVPQZOCQBKFO-YWZLYKJASA-N 1 0 321.424 3.874 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1C ZINC000183799569 1022412632 /nfs/dbraw/zinc/41/26/32/1022412632.db2.gz IFYUYNKSFZVPEZ-INIZCTEOSA-N 1 0 319.445 3.563 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854226869 1022436039 /nfs/dbraw/zinc/43/60/39/1022436039.db2.gz SAPLXXPYHGINED-HWPZZCPQSA-N 1 0 302.805 3.966 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(F)c1 ZINC000859059216 1033057752 /nfs/dbraw/zinc/05/77/52/1033057752.db2.gz DAVHUDPAXRZEEO-UHFFFAOYSA-N 1 0 313.420 3.843 20 10 DHCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185422091 1022487450 /nfs/dbraw/zinc/48/74/50/1022487450.db2.gz SVVSQDUJTFNDKU-OAHLLOKOSA-N 1 0 310.441 3.868 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000179672263 1022500354 /nfs/dbraw/zinc/50/03/54/1022500354.db2.gz OQETYPHCCZGEAL-KRWDZBQOSA-N 1 0 315.438 3.691 20 10 DHCDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000113314681 1022626379 /nfs/dbraw/zinc/62/63/79/1022626379.db2.gz FTHSDCOXWYWSAV-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000130829613 1022644944 /nfs/dbraw/zinc/64/49/44/1022644944.db2.gz HSBDUXIIFFTLPI-PIGZYNQJSA-N 1 0 323.795 3.787 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000767195674 1022660965 /nfs/dbraw/zinc/66/09/65/1022660965.db2.gz PGIDMKKJCBBNTQ-WOJBJXKFSA-N 1 0 316.489 3.828 20 10 DHCDRO Oc1ccccc1C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000238098691 1022685373 /nfs/dbraw/zinc/68/53/73/1022685373.db2.gz LDHNSPAJVIKJSG-FQEVSTJZSA-N 1 0 311.425 3.966 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1O ZINC000180396225 1022719157 /nfs/dbraw/zinc/71/91/57/1022719157.db2.gz XVJGFOMCFXYUBV-KSSFIOAISA-N 1 0 315.388 3.802 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000187987968 1022729552 /nfs/dbraw/zinc/72/95/52/1022729552.db2.gz IBOZSJXDVBMGNN-KRWDZBQOSA-N 1 0 324.472 3.872 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cncc(Cl)c2)C2CC2)cc1 ZINC000856722448 1022845052 /nfs/dbraw/zinc/84/50/52/1022845052.db2.gz YXWIVMBHNFPDPN-UHFFFAOYSA-N 1 0 315.848 3.966 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c(O)c1 ZINC000876554294 1033088368 /nfs/dbraw/zinc/08/83/68/1033088368.db2.gz JDDKHHYPGWURMJ-UHFFFAOYSA-N 1 0 311.425 3.882 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000856803276 1022872225 /nfs/dbraw/zinc/87/22/25/1022872225.db2.gz CWNUYHDRWIZVON-RDFMZFSFSA-N 1 0 313.272 3.939 20 10 DHCDRO CC1CCC([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876548123 1033087632 /nfs/dbraw/zinc/08/76/32/1033087632.db2.gz UHXLMXVSQWFYJM-UHFFFAOYSA-N 1 0 316.489 3.658 20 10 DHCDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768159899 1022907608 /nfs/dbraw/zinc/90/76/08/1022907608.db2.gz HJYBAHADPRLZBH-UHFFFAOYSA-N 1 0 316.420 3.540 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000768175731 1022912837 /nfs/dbraw/zinc/91/28/37/1022912837.db2.gz UUGOVRGCGBNOMV-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756552718 1022918466 /nfs/dbraw/zinc/91/84/66/1022918466.db2.gz GXMMSZVXEKYRIN-ZDUSSCGKSA-N 1 0 302.393 3.838 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000768214825 1022927723 /nfs/dbraw/zinc/92/77/23/1022927723.db2.gz QSJXSSNDCBMKNR-UHFFFAOYSA-N 1 0 317.433 3.960 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000181069017 1022928167 /nfs/dbraw/zinc/92/81/67/1022928167.db2.gz BQWHNDCIWIRTHN-MNEFBYGVSA-N 1 0 302.462 3.631 20 10 DHCDRO CCN1CCC([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768232510 1022929821 /nfs/dbraw/zinc/92/98/21/1022929821.db2.gz CRLASCNCORVTRW-UHFFFAOYSA-N 1 0 324.468 3.975 20 10 DHCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000768236282 1022934330 /nfs/dbraw/zinc/93/43/30/1022934330.db2.gz FWEQHRGYLKSSMC-OAHLLOKOSA-N 1 0 305.462 3.554 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000768329878 1022948276 /nfs/dbraw/zinc/94/82/76/1022948276.db2.gz IWNQEQFFOVTZPP-MRXNPFEDSA-N 1 0 301.361 3.877 20 10 DHCDRO COc1cccc(O)c1C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000768329886 1022948664 /nfs/dbraw/zinc/94/86/64/1022948664.db2.gz JTHWISSNDZLYGT-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)cc1C ZINC000768450099 1022967769 /nfs/dbraw/zinc/96/77/69/1022967769.db2.gz HQZJQZYKIWEOIY-HNNXBMFYSA-N 1 0 315.388 3.838 20 10 DHCDRO COC1CCC([N@H+](C)Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444468 1022968114 /nfs/dbraw/zinc/96/81/14/1022968114.db2.gz BMSWAXZQYPEEPC-UHFFFAOYSA-N 1 0 303.446 3.660 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CCC(C)C)cc1OC ZINC000768463421 1022972138 /nfs/dbraw/zinc/97/21/38/1022972138.db2.gz SRBNMZFOEGDFMU-OAHLLOKOSA-N 1 0 307.434 3.810 20 10 DHCDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768465746 1022973237 /nfs/dbraw/zinc/97/32/37/1022973237.db2.gz KFHZWGVEDIXTPE-HIFRSBDPSA-N 1 0 307.434 3.810 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)CCCC2 ZINC000768466721 1022976009 /nfs/dbraw/zinc/97/60/09/1022976009.db2.gz VIPYGFAWYKBONK-UHFFFAOYSA-N 1 0 315.457 3.664 20 10 DHCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1OC ZINC000768471277 1022976201 /nfs/dbraw/zinc/97/62/01/1022976201.db2.gz MBJSKVICTFVZPU-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccc(F)c(F)c2)cc1 ZINC000768532542 1022983027 /nfs/dbraw/zinc/98/30/27/1022983027.db2.gz AYCUDUMBIQWEEE-UHFFFAOYSA-N 1 0 304.384 3.705 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H](COC)C2)cc1 ZINC000768539675 1022986855 /nfs/dbraw/zinc/98/68/55/1022986855.db2.gz ARZKIBCHNJAZKI-SFHVURJKSA-N 1 0 304.478 3.781 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1Br)CC2 ZINC000297712849 1023023286 /nfs/dbraw/zinc/02/32/86/1023023286.db2.gz MWMHWQJVDNJRSC-AWEZNQCLSA-N 1 0 318.214 3.932 20 10 DHCDRO Oc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000768868672 1023043342 /nfs/dbraw/zinc/04/33/42/1023043342.db2.gz PPBMGZRGSKPJFH-UHFFFAOYSA-N 1 0 322.452 3.941 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912641 1023054985 /nfs/dbraw/zinc/05/49/85/1023054985.db2.gz ATNOTDBFHWAYCJ-CPUCHLNUSA-N 1 0 322.880 3.883 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3sccc3C)CC2)cc1 ZINC000768999071 1023074987 /nfs/dbraw/zinc/07/49/87/1023074987.db2.gz SUEDOINUOXQOJG-UHFFFAOYSA-N 1 0 316.470 3.777 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000769103831 1023091006 /nfs/dbraw/zinc/09/10/06/1023091006.db2.gz CNOCGQKZJUFWPL-LPHOPBHVSA-N 1 0 302.462 3.676 20 10 DHCDRO CN(C)c1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000769192868 1023091382 /nfs/dbraw/zinc/09/13/82/1023091382.db2.gz QZIPWPCYAGLXER-UHFFFAOYSA-N 1 0 310.441 3.870 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315191 1023119723 /nfs/dbraw/zinc/11/97/23/1023119723.db2.gz HGLHNOIXGQVFNA-FQEVSTJZSA-N 1 0 310.441 3.716 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000769339625 1023128176 /nfs/dbraw/zinc/12/81/76/1023128176.db2.gz UHXRAGIVMJFWSC-HNNXBMFYSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1O ZINC000769339373 1023129430 /nfs/dbraw/zinc/12/94/30/1023129430.db2.gz WCXAIZRNBAMKCE-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769405388 1023142872 /nfs/dbraw/zinc/14/28/72/1023142872.db2.gz UXWZFDKRMFYNNR-POAQFYNOSA-N 1 0 314.473 3.676 20 10 DHCDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000769487093 1023152890 /nfs/dbraw/zinc/15/28/90/1023152890.db2.gz HOFLEZAHEXHFFM-INIZCTEOSA-N 1 0 313.397 3.574 20 10 DHCDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756606105 1023158629 /nfs/dbraw/zinc/15/86/29/1023158629.db2.gz BEQRJHUVOITANT-ZIAGYGMSSA-N 1 0 303.377 3.958 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769469732 1023160836 /nfs/dbraw/zinc/16/08/36/1023160836.db2.gz DMSSHEGBQUAJHI-QRVBRYPASA-N 1 0 316.489 3.778 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769476205 1023165181 /nfs/dbraw/zinc/16/51/81/1023165181.db2.gz XGPFVDWQJAFVCE-OXQOHEQNSA-N 1 0 311.425 3.971 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000769502836 1023167765 /nfs/dbraw/zinc/16/77/65/1023167765.db2.gz AUFCURFBCKFBMT-MRXNPFEDSA-N 1 0 303.789 3.619 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769513564 1023172420 /nfs/dbraw/zinc/17/24/20/1023172420.db2.gz BQWFNCJLJWPRGI-RBUKOAKNSA-N 1 0 323.436 3.918 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000769534730 1023176238 /nfs/dbraw/zinc/17/62/38/1023176238.db2.gz YVTIZDXRGNGHJP-UHFFFAOYSA-N 1 0 314.473 3.822 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000769934891 1023250415 /nfs/dbraw/zinc/25/04/15/1023250415.db2.gz ZDFHKKHFYNMJPE-UHFFFAOYSA-N 1 0 311.381 3.517 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286015 1023291812 /nfs/dbraw/zinc/29/18/12/1023291812.db2.gz NLTRIMPAFZFVSY-UYAOXDASSA-N 1 0 314.473 3.678 20 10 DHCDRO CCCCN(Cc1noc(C2CCC2)n1)Cc1ccccc1O ZINC000859296352 1033120428 /nfs/dbraw/zinc/12/04/28/1033120428.db2.gz HSHPOCNGRYPLMU-UHFFFAOYSA-N 1 0 315.417 3.845 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000770376150 1023300685 /nfs/dbraw/zinc/30/06/85/1023300685.db2.gz VDPRMTCLFPHKME-RBUKOAKNSA-N 1 0 316.489 3.781 20 10 DHCDRO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)c(O)c1 ZINC000770352458 1023304196 /nfs/dbraw/zinc/30/41/96/1023304196.db2.gz NWRKERXYBLFSIP-ZWKOTPCHSA-N 1 0 319.445 3.570 20 10 DHCDRO CC[C@@H](C)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000771828038 1023478041 /nfs/dbraw/zinc/47/80/41/1023478041.db2.gz PSMNGCRNESVEGI-CYBMUJFWSA-N 1 0 312.404 3.893 20 10 DHCDRO Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000772175541 1023527941 /nfs/dbraw/zinc/52/79/41/1023527941.db2.gz QTCZNMLNXOBYMK-UHFFFAOYSA-N 1 0 303.475 3.928 20 10 DHCDRO CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(N(C)C)cc1 ZINC000772465292 1023557614 /nfs/dbraw/zinc/55/76/14/1023557614.db2.gz GPCYIBYIHNEQAS-AVAKVYKDSA-N 1 0 304.478 3.877 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000772470239 1023558001 /nfs/dbraw/zinc/55/80/01/1023558001.db2.gz CBZYLBNGJOGMKK-WDYCEAGBSA-N 1 0 304.478 3.997 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1 ZINC000785608489 1023595007 /nfs/dbraw/zinc/59/50/07/1023595007.db2.gz VJNPCPUZZNMYFV-UHFFFAOYSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795597 1033144725 /nfs/dbraw/zinc/14/47/25/1033144725.db2.gz ROEFLMMHCZHDEU-PEBXRYMYSA-N 1 0 317.454 3.631 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)CC(C)(C)C)cc1OC ZINC000785985270 1023648710 /nfs/dbraw/zinc/64/87/10/1023648710.db2.gz SRSWTBDELBIDFC-ZDUSSCGKSA-N 1 0 309.450 3.961 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000785989143 1023648826 /nfs/dbraw/zinc/64/88/26/1023648826.db2.gz SLBPSCLALBXXLL-QFBILLFUSA-N 1 0 312.457 3.790 20 10 DHCDRO CC[C@@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000785985306 1023649225 /nfs/dbraw/zinc/64/92/25/1023649225.db2.gz UZVRDZWZTBZWLG-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)CC2CCCCC2)cc1OC ZINC000787303727 1023785296 /nfs/dbraw/zinc/78/52/96/1023785296.db2.gz RLLWSSBJMDXKFE-CYBMUJFWSA-N 1 0 307.434 3.858 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000788259698 1023866021 /nfs/dbraw/zinc/86/60/21/1023866021.db2.gz OQKJXCOKLSJBIQ-SWLSCSKDSA-N 1 0 321.852 3.870 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2O ZINC000788606072 1023912660 /nfs/dbraw/zinc/91/26/60/1023912660.db2.gz VBSMVQYXBGYTGR-OCCSQVGLSA-N 1 0 319.420 3.612 20 10 DHCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788756898 1023929157 /nfs/dbraw/zinc/92/91/57/1023929157.db2.gz JUQXLTQYQDFUFC-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c(O)c1 ZINC000788736480 1023931815 /nfs/dbraw/zinc/93/18/15/1023931815.db2.gz GEQPKONJCHIIAJ-SJLPKXTDSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c(O)c1 ZINC000788777836 1023937738 /nfs/dbraw/zinc/93/77/38/1023937738.db2.gz PRHOKLMHYNUVLT-HNNXBMFYSA-N 1 0 311.425 3.837 20 10 DHCDRO CSC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000193820067 1023976126 /nfs/dbraw/zinc/97/61/26/1023976126.db2.gz RMJONSCJVRVUAE-SECBINFHSA-N 1 0 316.264 3.701 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1OC(F)F ZINC000876897326 1033177965 /nfs/dbraw/zinc/17/79/65/1033177965.db2.gz JDRQXVLYOVUPDA-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000194549322 1024007598 /nfs/dbraw/zinc/00/75/98/1024007598.db2.gz HZZONNZKBIMFQJ-OAHLLOKOSA-N 1 0 309.768 3.662 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876926303 1033183445 /nfs/dbraw/zinc/18/34/45/1033183445.db2.gz PBFOORYGUVOARJ-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(O)c1 ZINC000876928551 1033184000 /nfs/dbraw/zinc/18/40/00/1033184000.db2.gz IRZSDIQYTKYJFO-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129898733 1024105150 /nfs/dbraw/zinc/10/51/50/1024105150.db2.gz GIFOIEIYQNMPMK-UHFFFAOYSA-N 1 0 317.260 3.521 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)CCCC2 ZINC000789529800 1024108517 /nfs/dbraw/zinc/10/85/17/1024108517.db2.gz GPPQTGCZATWYSB-UHFFFAOYSA-N 1 0 315.457 3.664 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876935772 1033187003 /nfs/dbraw/zinc/18/70/03/1033187003.db2.gz GFNCTCUAKZANJG-UHFFFAOYSA-N 1 0 312.413 3.729 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000130324013 1024153295 /nfs/dbraw/zinc/15/32/95/1024153295.db2.gz BCGKXIYWJPJASO-KUHUBIRLSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130365609 1024156533 /nfs/dbraw/zinc/15/65/33/1024156533.db2.gz QFAFIIMDIDQTMW-RTBURBONSA-N 1 0 316.420 3.666 20 10 DHCDRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1=CC(=O)CS1 ZINC000882949289 1024181525 /nfs/dbraw/zinc/18/15/25/1024181525.db2.gz JRLGAPSTPWEZMQ-UHFFFAOYSA-N 1 0 316.426 3.692 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c(O)c1 ZINC000876963480 1033192536 /nfs/dbraw/zinc/19/25/36/1033192536.db2.gz CRZNYHPJNGCEOU-MRXNPFEDSA-N 1 0 301.361 3.843 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000130702292 1024204188 /nfs/dbraw/zinc/20/41/88/1024204188.db2.gz ZURQTFLTELATOZ-DLBZAZTESA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1C ZINC000269312277 1024260945 /nfs/dbraw/zinc/26/09/45/1024260945.db2.gz GEEYBECGPQJDMQ-MRXNPFEDSA-N 1 0 321.486 3.543 20 10 DHCDRO Cc1c(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)cnn1C ZINC000790416647 1024298580 /nfs/dbraw/zinc/29/85/80/1024298580.db2.gz AFMFEEXOKOLGGS-UHFFFAOYSA-N 1 0 315.461 3.672 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)CCOc2cccc(C)c2)c1O ZINC000216353568 1024307316 /nfs/dbraw/zinc/30/73/16/1024307316.db2.gz QQXFOPKKTHERNQ-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO Cc1ccc(-c2nc(CC[NH2+]Cc3ccc(C)cc3O)co2)cc1 ZINC000876996145 1033201415 /nfs/dbraw/zinc/20/14/15/1033201415.db2.gz QBJBAXCHPQWWII-UHFFFAOYSA-N 1 0 322.408 3.996 20 10 DHCDRO Cc1ccc(-c2nc(CC[NH2+]Cc3c(C)cccc3O)co2)cc1 ZINC000876996310 1033201892 /nfs/dbraw/zinc/20/18/92/1033201892.db2.gz RXKCICLZJJLUFX-UHFFFAOYSA-N 1 0 322.408 3.996 20 10 DHCDRO CCC[C@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883251047 1024321448 /nfs/dbraw/zinc/32/14/48/1024321448.db2.gz ZRDUMZFHYXVFSP-INIZCTEOSA-N 1 0 304.478 3.564 20 10 DHCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000883269524 1024342444 /nfs/dbraw/zinc/34/24/44/1024342444.db2.gz MUQJIQJXXNHHNJ-ZOBUZTSGSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796935706 1024347304 /nfs/dbraw/zinc/34/73/04/1024347304.db2.gz IGHVRBXJELRSQW-RHSMWYFYSA-N 1 0 308.441 3.837 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000270134523 1024356082 /nfs/dbraw/zinc/35/60/82/1024356082.db2.gz PZKHRNQPLHYPKK-PEBXRYMYSA-N 1 0 317.454 3.597 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000270648022 1024411775 /nfs/dbraw/zinc/41/17/75/1024411775.db2.gz LCOOTJZQIVRAPV-QAPCUYQASA-N 1 0 321.461 3.864 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883382221 1024415800 /nfs/dbraw/zinc/41/58/00/1024415800.db2.gz BRHQARAKWBTGQW-NVXWUHKLSA-N 1 0 301.361 3.516 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)ns2)cc1F ZINC000877028173 1033210080 /nfs/dbraw/zinc/21/00/80/1033210080.db2.gz ZXAHYSQVMWOUDE-UHFFFAOYSA-N 1 0 307.438 3.727 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883387920 1024423099 /nfs/dbraw/zinc/42/30/99/1024423099.db2.gz IGLNHZUDLRTJKH-APWZRJJASA-N 1 0 321.424 3.989 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000132212145 1024463494 /nfs/dbraw/zinc/46/34/94/1024463494.db2.gz GSTYUHAHABGIIT-GFCCVEGCSA-N 1 0 308.472 3.985 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC000271158715 1024463940 /nfs/dbraw/zinc/46/39/40/1024463940.db2.gz DVSGVLPYEZNTFW-ZDUSSCGKSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000271663061 1024559017 /nfs/dbraw/zinc/55/90/17/1024559017.db2.gz LNMWZIVQQFHKPP-NSHDSACASA-N 1 0 317.360 3.593 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000193703230 1024606782 /nfs/dbraw/zinc/60/67/82/1024606782.db2.gz WCXGQJUVPIFEHJ-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696191 1024635034 /nfs/dbraw/zinc/63/50/34/1024635034.db2.gz RWZUYMYNNQYSBD-RHSMWYFYSA-N 1 0 308.441 3.694 20 10 DHCDRO Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000282868354 1024653044 /nfs/dbraw/zinc/65/30/44/1024653044.db2.gz VCHHMKFLDMOSKZ-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000279146127 1024760077 /nfs/dbraw/zinc/76/00/77/1024760077.db2.gz SINYQTCWOOCXGF-HUUCEWRRSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000279146129 1024760121 /nfs/dbraw/zinc/76/01/21/1024760121.db2.gz SINYQTCWOOCXGF-LSDHHAIUSA-N 1 0 308.441 3.628 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133714157 1024768077 /nfs/dbraw/zinc/76/80/77/1024768077.db2.gz BVSIHUKQWMVJOS-FZKQIMNGSA-N 1 0 314.477 3.905 20 10 DHCDRO CC1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000236828819 1024789367 /nfs/dbraw/zinc/78/93/67/1024789367.db2.gz JGENFYSNXLEAAN-UHFFFAOYSA-N 1 0 304.503 3.908 20 10 DHCDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000792790038 1024791713 /nfs/dbraw/zinc/79/17/13/1024791713.db2.gz OJSMUWAEGJJIRU-UHFFFAOYSA-N 1 0 320.477 3.552 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000279221498 1024799616 /nfs/dbraw/zinc/79/96/16/1024799616.db2.gz ZBXQWIZENIKDFO-DLBZAZTESA-N 1 0 304.478 3.879 20 10 DHCDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000747100430 1024887731 /nfs/dbraw/zinc/88/77/31/1024887731.db2.gz ZCMYZCKQXGPHSB-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000877116643 1033244531 /nfs/dbraw/zinc/24/45/31/1033244531.db2.gz SDHHCRLPNJKPRR-GOSISDBHSA-N 1 0 313.441 3.593 20 10 DHCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000391088299 1024914431 /nfs/dbraw/zinc/91/44/31/1024914431.db2.gz NSLIFPJUGXKCBQ-UHFFFAOYSA-N 1 0 315.486 3.774 20 10 DHCDRO CSC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793185400 1024928422 /nfs/dbraw/zinc/92/84/22/1024928422.db2.gz NVCMBCDVCDTDFY-UHFFFAOYSA-N 1 0 318.408 3.757 20 10 DHCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000793216383 1024936779 /nfs/dbraw/zinc/93/67/79/1024936779.db2.gz FLRUNDTVFOOFER-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232526 1024949099 /nfs/dbraw/zinc/94/90/99/1024949099.db2.gz XBIPCXPGDHDARO-KCJUWKMLSA-N 1 0 323.742 3.827 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1O ZINC000229562344 1025063627 /nfs/dbraw/zinc/06/36/27/1025063627.db2.gz VLEYADJVQGIIPI-JQWIXIFHSA-N 1 0 316.264 3.701 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000318944475 1025088347 /nfs/dbraw/zinc/08/83/47/1025088347.db2.gz ZVEWVMGTXMVOGH-CYBMUJFWSA-N 1 0 317.351 3.954 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1O ZINC000279609486 1025092284 /nfs/dbraw/zinc/09/22/84/1025092284.db2.gz XFCPLPZUPKYPBW-WBVHZDCISA-N 1 0 323.795 3.959 20 10 DHCDRO CC(C)(C)c1ncc(C[NH2+]CCCSc2nccs2)cn1 ZINC000793583716 1025116490 /nfs/dbraw/zinc/11/64/90/1025116490.db2.gz FYXDOAPEIWPAAI-UHFFFAOYSA-N 1 0 322.503 3.503 20 10 DHCDRO CC(C)(C)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236623734 1025416305 /nfs/dbraw/zinc/41/63/05/1025416305.db2.gz KWCCFQOOMRUWNL-CYBMUJFWSA-N 1 0 312.404 3.893 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008524 1025437055 /nfs/dbraw/zinc/43/70/55/1025437055.db2.gz OPNDKYWPYOMSHL-LPHOPBHVSA-N 1 0 301.430 3.563 20 10 DHCDRO C[C@@H](O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237382825 1025450039 /nfs/dbraw/zinc/45/00/39/1025450039.db2.gz IUZZTBZAXQUSQX-CYBMUJFWSA-N 1 0 307.478 3.848 20 10 DHCDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877337017 1033285125 /nfs/dbraw/zinc/28/51/25/1033285125.db2.gz VXPWPLQLQYOAIP-SFHVURJKSA-N 1 0 316.489 3.802 20 10 DHCDRO Cc1n[nH]c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000893864265 1025578245 /nfs/dbraw/zinc/57/82/45/1025578245.db2.gz WCPVDMASRJGPKF-UHFFFAOYSA-N 1 0 312.461 3.649 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1O ZINC000236897747 1025705561 /nfs/dbraw/zinc/70/55/61/1025705561.db2.gz CWCSGDGIMFWXMF-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1cccc(C)c1O)c1ccccc1 ZINC000321816159 1025720961 /nfs/dbraw/zinc/72/09/61/1025720961.db2.gz ZZWSBHAWDXCSSP-IBGZPJMESA-N 1 0 312.457 3.873 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000886627159 1025748421 /nfs/dbraw/zinc/74/84/21/1025748421.db2.gz UZEFABHMCVRJCV-KXBFYZLASA-N 1 0 309.457 3.664 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000806180967 1025836377 /nfs/dbraw/zinc/83/63/77/1025836377.db2.gz UNHISIHBSRWCCA-UKRRQHHQSA-N 1 0 319.832 3.781 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[C@H](C)O)cc1 ZINC000236961436 1025863998 /nfs/dbraw/zinc/86/39/98/1025863998.db2.gz HIPYZOIHGGQXSG-KRWDZBQOSA-N 1 0 312.457 3.574 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000886776485 1025894661 /nfs/dbraw/zinc/89/46/61/1025894661.db2.gz IAHDMZOWKNIJRD-KBXCAEBGSA-N 1 0 319.445 3.791 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512613 1026052563 /nfs/dbraw/zinc/05/25/63/1026052563.db2.gz BLNROIXGMIAGSW-CQSZACIVSA-N 1 0 313.401 3.902 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000320270242 1026089253 /nfs/dbraw/zinc/08/92/53/1026089253.db2.gz TWGGHQTXVVKJMX-DOXZYTNZSA-N 1 0 320.477 3.562 20 10 DHCDRO Cc1c(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cnn1C ZINC000090887916 1026089692 /nfs/dbraw/zinc/08/96/92/1026089692.db2.gz OGICQWSZSDWYKV-OAHLLOKOSA-N 1 0 312.461 3.570 20 10 DHCDRO COc1cc(C)cc(CNc2ccc(C[NH+](C)C)c(F)c2)c1O ZINC000894130948 1026091580 /nfs/dbraw/zinc/09/15/80/1026091580.db2.gz JRSUBNWSOFIZQK-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1O ZINC000289743011 1026153199 /nfs/dbraw/zinc/15/31/99/1026153199.db2.gz KRBJCHDUIOWOSB-HBFSDRIKSA-N 1 0 311.425 3.599 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1C ZINC000122124132 1026171245 /nfs/dbraw/zinc/17/12/45/1026171245.db2.gz ZSPRRPJCYMICQE-QGZVFWFLSA-N 1 0 303.427 3.644 20 10 DHCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000808236233 1026241192 /nfs/dbraw/zinc/24/11/92/1026241192.db2.gz YPVFRBHRUZGOTN-UHFFFAOYSA-N 1 0 310.441 3.579 20 10 DHCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808444612 1026287863 /nfs/dbraw/zinc/28/78/63/1026287863.db2.gz PDNSPWNRRDHYLP-KPZWWZAWSA-N 1 0 300.377 3.504 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1O ZINC000894169486 1026289981 /nfs/dbraw/zinc/28/99/81/1026289981.db2.gz DBQNVXDYHVSTCB-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1O ZINC000808682834 1026347572 /nfs/dbraw/zinc/34/75/72/1026347572.db2.gz WUOGXVVSVYCNFV-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000808674158 1026353734 /nfs/dbraw/zinc/35/37/34/1026353734.db2.gz OCBGGEGGHJCLQH-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1O ZINC000808678043 1026355100 /nfs/dbraw/zinc/35/51/00/1026355100.db2.gz IXYZJYBYURRDAM-KGLIPLIRSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)c1O ZINC000808703016 1026356724 /nfs/dbraw/zinc/35/67/24/1026356724.db2.gz RDVKVBIDRFTVKL-LRDDRELGSA-N 1 0 305.805 3.738 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000808709439 1026360276 /nfs/dbraw/zinc/36/02/76/1026360276.db2.gz BDSJCDCJYVHRRH-KWQFWETISA-N 1 0 311.731 3.582 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1O ZINC000808707723 1026361227 /nfs/dbraw/zinc/36/12/27/1026361227.db2.gz WTFIMXZSOUCTLN-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000808718174 1026366146 /nfs/dbraw/zinc/36/61/46/1026366146.db2.gz QCFWXHVNDAAXMJ-GFCCVEGCSA-N 1 0 319.836 3.738 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000808699153 1026376500 /nfs/dbraw/zinc/37/65/00/1026376500.db2.gz UKSKLSBREDLSTA-SMDDNHRTSA-N 1 0 309.793 3.640 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCOc3ccccc32)c1O ZINC000894216247 1026457952 /nfs/dbraw/zinc/45/79/52/1026457952.db2.gz LMVNQYFFAKGEIR-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1O ZINC000280066238 1026581260 /nfs/dbraw/zinc/58/12/60/1026581260.db2.gz LTLULFYMBUDHSD-VHSXEESVSA-N 1 0 316.264 3.558 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C)cc1O ZINC000280099231 1026592284 /nfs/dbraw/zinc/59/22/84/1026592284.db2.gz MYTMSLWYHQGEJK-HKUYNNGSSA-N 1 0 313.441 3.908 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1O ZINC000809711894 1026601857 /nfs/dbraw/zinc/60/18/57/1026601857.db2.gz SDYVPWVMNZIWQQ-UHFFFAOYSA-N 1 0 314.404 3.552 20 10 DHCDRO C[C@@H](C[N@H+](Cc1cc(F)ccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809773845 1026607780 /nfs/dbraw/zinc/60/77/80/1026607780.db2.gz ALXABLJTSXLPCX-GJZGRUSLSA-N 1 0 317.404 3.518 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738374 1026609652 /nfs/dbraw/zinc/60/96/52/1026609652.db2.gz WPAMZDHMIJDFNA-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1F ZINC000809755621 1026616967 /nfs/dbraw/zinc/61/69/67/1026616967.db2.gz AFMVXISZTWPGRS-LJQANCHMSA-N 1 0 322.468 3.799 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000809758142 1026618306 /nfs/dbraw/zinc/61/83/06/1026618306.db2.gz DTTADWBHXQZOKO-HUUCEWRRSA-N 1 0 323.864 3.993 20 10 DHCDRO CN(C)c1ccccc1C[N@H+](C)Cc1c(O)cccc1Cl ZINC000809788379 1026626029 /nfs/dbraw/zinc/62/60/29/1026626029.db2.gz RLMFUWPVTUBWNJ-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO COc1cccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c1O ZINC000809789768 1026627602 /nfs/dbraw/zinc/62/76/02/1026627602.db2.gz DUWGZSVWSXAQON-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1O ZINC000809792358 1026629304 /nfs/dbraw/zinc/62/93/04/1026629304.db2.gz SORCJAMOHMVBES-HNNXBMFYSA-N 1 0 321.779 3.586 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C)cc1O ZINC000280276105 1026630803 /nfs/dbraw/zinc/63/08/03/1026630803.db2.gz YDUZBDOISCCHTK-QILLFSRXSA-N 1 0 321.486 3.796 20 10 DHCDRO CC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000810160182 1026697950 /nfs/dbraw/zinc/69/79/50/1026697950.db2.gz XCPAGNQSXMDJDU-NRFANRHFSA-N 1 0 323.436 3.589 20 10 DHCDRO CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227875 1026714047 /nfs/dbraw/zinc/71/40/47/1026714047.db2.gz LXHZLKRJQZQDFU-ZIAGYGMSSA-N 1 0 317.351 3.877 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810210801 1026718600 /nfs/dbraw/zinc/71/86/00/1026718600.db2.gz DVXQVJVXCTUTTJ-SMDDNHRTSA-N 1 0 317.351 3.878 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1C ZINC000810259552 1026719841 /nfs/dbraw/zinc/71/98/41/1026719841.db2.gz LRMAXJLAZBPMME-WBVHZDCISA-N 1 0 311.425 3.972 20 10 DHCDRO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)Cc1ccccc1O ZINC000811458138 1027005975 /nfs/dbraw/zinc/00/59/75/1027005975.db2.gz UHHDUQZHHVJGGG-UHFFFAOYSA-N 1 0 311.303 3.749 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC1(F)F ZINC000811512060 1027027460 /nfs/dbraw/zinc/02/74/60/1027027460.db2.gz DCWABOLGDCLZLF-VIFPVBQESA-N 1 0 320.177 3.632 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1C ZINC000811513121 1027029554 /nfs/dbraw/zinc/02/95/54/1027029554.db2.gz WNZVJTNZOPFHFD-NRFANRHFSA-N 1 0 323.436 3.979 20 10 DHCDRO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(C(C)C)c(C)cc3O)C2)c1 ZINC000811799115 1027086446 /nfs/dbraw/zinc/08/64/46/1027086446.db2.gz QVKXRFCOPPUUBY-KRWDZBQOSA-N 1 0 313.445 3.776 20 10 DHCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000271791309 1027145705 /nfs/dbraw/zinc/14/57/05/1027145705.db2.gz GRDJWGLIEXUFKY-LIRRHRJNSA-N 1 0 315.413 3.575 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000271795572 1027149409 /nfs/dbraw/zinc/14/94/09/1027149409.db2.gz HTVXAHWYBNOJEI-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295305985 1027190524 /nfs/dbraw/zinc/19/05/24/1027190524.db2.gz KEZAQUBSSXTXJL-UHFFFAOYSA-N 1 0 314.813 3.706 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000828576521 1027205064 /nfs/dbraw/zinc/20/50/64/1027205064.db2.gz NCEYNBUMTVJLIQ-IRXDYDNUSA-N 1 0 316.489 3.780 20 10 DHCDRO CCc1nc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cs1 ZINC000894276087 1027322883 /nfs/dbraw/zinc/32/28/83/1027322883.db2.gz OGHIMBWLCOZANK-NSHDSACASA-N 1 0 306.431 3.579 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1 ZINC000812736939 1027381067 /nfs/dbraw/zinc/38/10/67/1027381067.db2.gz FQUGMZROJNRBTP-LJQANCHMSA-N 1 0 322.456 3.880 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(C)cc1O ZINC000812738090 1027381127 /nfs/dbraw/zinc/38/11/27/1027381127.db2.gz WOTYLYXBPJQDRX-MRXNPFEDSA-N 1 0 313.445 3.554 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000812735666 1027381957 /nfs/dbraw/zinc/38/19/57/1027381957.db2.gz UNOMURJOOBHIRJ-HNNXBMFYSA-N 1 0 322.456 3.880 20 10 DHCDRO CCOc1ccc(C[NH+]2CC(c3ccccc3F)C2)c(O)c1 ZINC000812790678 1027407127 /nfs/dbraw/zinc/40/71/27/1027407127.db2.gz CZXSDIVAOZZDDT-UHFFFAOYSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCSC(C)(C)C)CC2)cc1 ZINC000812830940 1027436048 /nfs/dbraw/zinc/43/60/48/1027436048.db2.gz FDVSAKWDILKSFE-UHFFFAOYSA-N 1 0 322.518 3.785 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCCCC3)c1)CC2 ZINC000295828842 1027449579 /nfs/dbraw/zinc/44/95/79/1027449579.db2.gz DTLLKTKDFLOSDH-QGZVFWFLSA-N 1 0 323.440 3.555 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000813330759 1027608914 /nfs/dbraw/zinc/60/89/14/1027608914.db2.gz GQXABGULGFQPIJ-ZDUSSCGKSA-N 1 0 323.396 3.642 20 10 DHCDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccccc1O ZINC000158721614 1027621189 /nfs/dbraw/zinc/62/11/89/1027621189.db2.gz NKUZNCGAZPINIE-QGZVFWFLSA-N 1 0 320.820 3.778 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000813792041 1027713208 /nfs/dbraw/zinc/71/32/08/1027713208.db2.gz PDEIJBQHBXJLEA-LBPRGKRZSA-N 1 0 320.795 3.553 20 10 DHCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)CCC2 ZINC000813790683 1027714639 /nfs/dbraw/zinc/71/46/39/1027714639.db2.gz YSDLLEQASCSXOA-MRXNPFEDSA-N 1 0 311.381 3.597 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000813793667 1027715074 /nfs/dbraw/zinc/71/50/74/1027715074.db2.gz WYAKLALYCLRQNC-FZKQIMNGSA-N 1 0 317.454 3.857 20 10 DHCDRO C[N@H+](CCOc1ccccc1Cl)Cc1cc(F)ccc1O ZINC000778993838 1027731325 /nfs/dbraw/zinc/73/13/25/1027731325.db2.gz AUZHDHLQCXEKKW-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877923 1027748491 /nfs/dbraw/zinc/74/84/91/1027748491.db2.gz HLSVTFHMEXZZMH-GXFFZTMASA-N 1 0 319.276 3.937 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159157563 1027739546 /nfs/dbraw/zinc/73/95/46/1027739546.db2.gz FBGPIEQWZYGJGY-WMZOPIPTSA-N 1 0 304.478 3.879 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000813884425 1027751867 /nfs/dbraw/zinc/75/18/67/1027751867.db2.gz WABDMCMHSQBDFZ-CABCVRRESA-N 1 0 314.404 3.769 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1F ZINC000778181290 1027796581 /nfs/dbraw/zinc/79/65/81/1027796581.db2.gz FRFVGUFUHICFBM-UHFFFAOYSA-N 1 0 310.775 3.974 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(F)ccc2OC)cc1 ZINC000778184165 1027798570 /nfs/dbraw/zinc/79/85/70/1027798570.db2.gz CQVRRNQRNYBZIL-UHFFFAOYSA-N 1 0 316.420 3.970 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364580518 1027842998 /nfs/dbraw/zinc/84/29/98/1027842998.db2.gz OOHHIRMAEGQQAH-NBQZKYEYSA-N 1 0 311.425 3.647 20 10 DHCDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779021341 1027870955 /nfs/dbraw/zinc/87/09/55/1027870955.db2.gz CRANSFKYVNRRKF-GHMZBOCLSA-N 1 0 316.239 3.539 20 10 DHCDRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000048182561 1027877880 /nfs/dbraw/zinc/87/78/80/1027877880.db2.gz ZUBOPWDSIZLKCN-UHFFFAOYSA-N 1 0 318.214 3.674 20 10 DHCDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001170727692 1027893999 /nfs/dbraw/zinc/89/39/99/1027893999.db2.gz OUZLVRCMEZWEFP-XYYAHUGASA-N 1 0 310.235 3.679 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000814169045 1027925259 /nfs/dbraw/zinc/92/52/59/1027925259.db2.gz CHKXDVAPCGPGPW-OCCSQVGLSA-N 1 0 301.764 3.831 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)OC)c1 ZINC000527924846 1027954583 /nfs/dbraw/zinc/95/45/83/1027954583.db2.gz ICZGROMNSGZSPP-KZULUSFZSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1O ZINC000528002704 1028029639 /nfs/dbraw/zinc/02/96/39/1028029639.db2.gz QLFYBCASHQUNPC-DOMZBBRYSA-N 1 0 308.853 3.713 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)CO2 ZINC000527985127 1028044676 /nfs/dbraw/zinc/04/46/76/1028044676.db2.gz YTGGCYVKYSCJGV-BIXGBWIQSA-N 1 0 323.436 3.835 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366544076 1028095535 /nfs/dbraw/zinc/09/55/35/1028095535.db2.gz KNYCBRCAZHLMCY-UGSOOPFHSA-N 1 0 312.413 3.940 20 10 DHCDRO CC(C)[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000814630842 1028130648 /nfs/dbraw/zinc/13/06/48/1028130648.db2.gz ZESAXOBYEOKLPF-OXQOHEQNSA-N 1 0 313.441 3.972 20 10 DHCDRO CC[C@H]([NH2+][C@@]1(CO)CCCc2ccccc21)c1ccccc1O ZINC000367328568 1028166408 /nfs/dbraw/zinc/16/64/08/1028166408.db2.gz ZVIKCAYMMRMRTC-AZUAARDMSA-N 1 0 311.425 3.657 20 10 DHCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000159783891 1028231302 /nfs/dbraw/zinc/23/13/02/1028231302.db2.gz WKLYWNUQLVEEPM-UHFFFAOYSA-N 1 0 300.402 3.508 20 10 DHCDRO CCc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000815019525 1028329541 /nfs/dbraw/zinc/32/95/41/1028329541.db2.gz OUVDUNMMONGBIE-UHFFFAOYSA-N 1 0 309.457 3.875 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)ccc1N(C)C ZINC000815016013 1028329691 /nfs/dbraw/zinc/32/96/91/1028329691.db2.gz VEPWSXFSEDKYHG-HXUWFJFHSA-N 1 0 310.441 3.635 20 10 DHCDRO Cc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)ccc1N(C)C ZINC000815083148 1028355873 /nfs/dbraw/zinc/35/58/73/1028355873.db2.gz JOGSUTRWEAFCAA-TZIWHRDSSA-N 1 0 324.468 3.928 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000815112794 1028360128 /nfs/dbraw/zinc/36/01/28/1028360128.db2.gz CKQFZDFHTQGAHN-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815118501 1028365569 /nfs/dbraw/zinc/36/55/69/1028365569.db2.gz WJGZWDXRRHULPL-SJLPKXTDSA-N 1 0 304.478 3.577 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC000815095806 1028374677 /nfs/dbraw/zinc/37/46/77/1028374677.db2.gz YTYWKIIHARQJCT-NRFANRHFSA-N 1 0 322.452 3.692 20 10 DHCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815162535 1028388438 /nfs/dbraw/zinc/38/84/38/1028388438.db2.gz HAAHOZMDWNKLDI-INIZCTEOSA-N 1 0 320.452 3.578 20 10 DHCDRO COc1ccc(F)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000815135756 1028391162 /nfs/dbraw/zinc/39/11/62/1028391162.db2.gz GTPDFRRBABOOEV-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1C ZINC000815141330 1028400307 /nfs/dbraw/zinc/40/03/07/1028400307.db2.gz AOKJOCJTRVAHLG-UHFFFAOYSA-N 1 0 324.346 3.755 20 10 DHCDRO COc1cc(C[NH+]2CCC(OC3CCCC3)CC2)c(O)cc1C ZINC000160062345 1028419349 /nfs/dbraw/zinc/41/93/49/1028419349.db2.gz RYLGRLNQLVATEY-UHFFFAOYSA-N 1 0 319.445 3.633 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1 ZINC000815559656 1028544986 /nfs/dbraw/zinc/54/49/86/1028544986.db2.gz MXXKTVBGQSWCIC-CYBMUJFWSA-N 1 0 318.383 3.544 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000815585542 1028555899 /nfs/dbraw/zinc/55/58/99/1028555899.db2.gz KJZVMZPBAFWTNZ-AWEZNQCLSA-N 1 0 307.434 3.782 20 10 DHCDRO C[C@@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815584686 1028557398 /nfs/dbraw/zinc/55/73/98/1028557398.db2.gz MJUGKFITHLISPR-LPHOPBHVSA-N 1 0 313.441 3.674 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815589409 1028559628 /nfs/dbraw/zinc/55/96/28/1028559628.db2.gz RLDYFLLTSICANP-HKUYNNGSSA-N 1 0 313.441 3.817 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625186 1028576237 /nfs/dbraw/zinc/57/62/37/1028576237.db2.gz WVEAOSKVFHDRLH-DNVCBOLYSA-N 1 0 313.441 3.956 20 10 DHCDRO COc1ccncc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000815628510 1028577832 /nfs/dbraw/zinc/57/78/32/1028577832.db2.gz CFHWBPITOIMMSF-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccc3)C2)cc1 ZINC000076360818 1028588312 /nfs/dbraw/zinc/58/83/12/1028588312.db2.gz CYRKHMSVYZUNIF-IAGOWNOFSA-N 1 0 310.441 3.872 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c(O)c1 ZINC000815648074 1028591968 /nfs/dbraw/zinc/59/19/68/1028591968.db2.gz DCEHXJZEGNQZCS-DOTOQJQBSA-N 1 0 305.462 3.848 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(Cl)ccc1O ZINC000815647997 1028592584 /nfs/dbraw/zinc/59/25/84/1028592584.db2.gz BHMQGQGJMCJRMQ-GXTWGEPZSA-N 1 0 311.853 3.885 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815650605 1028594503 /nfs/dbraw/zinc/59/45/03/1028594503.db2.gz WRCLSOOZDNODLI-VIFPVBQESA-N 1 0 311.303 3.669 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)c2ccccc21 ZINC000370372978 1028597578 /nfs/dbraw/zinc/59/75/78/1028597578.db2.gz GVFWJDOZOJKXSX-KDOFPFPSSA-N 1 0 324.424 3.849 20 10 DHCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816493292 1028897947 /nfs/dbraw/zinc/89/79/47/1028897947.db2.gz VZJQSMJRRXUXCB-MRXNPFEDSA-N 1 0 321.420 3.928 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493370 1028899338 /nfs/dbraw/zinc/89/93/38/1028899338.db2.gz YNUAPHCXDYCGPY-HNNXBMFYSA-N 1 0 307.397 3.648 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497856 1028906964 /nfs/dbraw/zinc/90/69/64/1028906964.db2.gz WHLQNLKRGPQVFC-SFHVURJKSA-N 1 0 310.441 3.606 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501934 1028909799 /nfs/dbraw/zinc/90/97/99/1028909799.db2.gz HLBDGABPPZXWAG-QGZVFWFLSA-N 1 0 307.397 3.579 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC[C@H]1C ZINC000816535331 1028923891 /nfs/dbraw/zinc/92/38/91/1028923891.db2.gz MCXXJVUQKCNKQG-HZPDHXFCSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H](O)c2ccccc2F)ccc2ccccc21 ZINC000816537848 1028927433 /nfs/dbraw/zinc/92/74/33/1028927433.db2.gz VVCBPDUXGJREQR-GOSISDBHSA-N 1 0 311.356 3.508 20 10 DHCDRO Cc1ccn2cc(C[NH2+]Cc3ccc4ccccc4c3O)nc2c1 ZINC000816548867 1028929430 /nfs/dbraw/zinc/92/94/30/1028929430.db2.gz VXDSASAGYBQBSZ-UHFFFAOYSA-N 1 0 317.392 3.791 20 10 DHCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548440 1028929463 /nfs/dbraw/zinc/92/94/63/1028929463.db2.gz HTOPYOQQJLLWDM-CQSZACIVSA-N 1 0 307.393 3.972 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2OCCc3ccccc32)ccc2ccccc21 ZINC000816550364 1028930260 /nfs/dbraw/zinc/93/02/60/1028930260.db2.gz OZIYEHXGDWNDGP-HXUWFJFHSA-N 1 0 319.404 3.949 20 10 DHCDRO CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCCCC1 ZINC000816528416 1028936574 /nfs/dbraw/zinc/93/65/74/1028936574.db2.gz BQPQEOXABMHINA-UHFFFAOYSA-N 1 0 312.457 3.900 20 10 DHCDRO OCC[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1cccs1 ZINC000816552820 1028941304 /nfs/dbraw/zinc/94/13/04/1028941304.db2.gz XXUHSIAABRZZAD-MRXNPFEDSA-N 1 0 313.422 3.820 20 10 DHCDRO Oc1c(C[NH2+]CCSCC(F)(F)F)ccc2ccccc21 ZINC000816558835 1028945792 /nfs/dbraw/zinc/94/57/92/1028945792.db2.gz MVENEFDNVJDICS-UHFFFAOYSA-N 1 0 315.360 3.931 20 10 DHCDRO Cc1sccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000816608859 1028958257 /nfs/dbraw/zinc/95/82/57/1028958257.db2.gz LPVPNMFOCOMHAQ-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816615827 1028965141 /nfs/dbraw/zinc/96/51/41/1028965141.db2.gz HBUIMFYLQPSNSG-GOSISDBHSA-N 1 0 319.404 3.947 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1 ZINC000816621853 1028969604 /nfs/dbraw/zinc/96/96/04/1028969604.db2.gz QPDDUPBKSFAOCV-SFHVURJKSA-N 1 0 312.413 3.769 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667648 1028983783 /nfs/dbraw/zinc/98/37/83/1028983783.db2.gz STNRUZPPBFJBDN-CYBMUJFWSA-N 1 0 313.800 3.576 20 10 DHCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C12CCCC2 ZINC000816630779 1028985967 /nfs/dbraw/zinc/98/59/67/1028985967.db2.gz RLJMRBYEWIQENT-LJQANCHMSA-N 1 0 314.473 3.556 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](c3csc(C)c3)C2)c1O ZINC000373565514 1029079489 /nfs/dbraw/zinc/07/94/89/1029079489.db2.gz BYTTVAHKTIQUKN-ZDUSSCGKSA-N 1 0 303.427 3.760 20 10 DHCDRO CCOc1cccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817416007 1029154329 /nfs/dbraw/zinc/15/43/29/1029154329.db2.gz HJOJKMTUPQGTCH-UHFFFAOYSA-N 1 0 307.434 3.569 20 10 DHCDRO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000817587412 1029216111 /nfs/dbraw/zinc/21/61/11/1029216111.db2.gz WKYNLZOBRAJWAQ-SEEARECTSA-N 1 0 310.869 3.959 20 10 DHCDRO [NH3+][C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000817900463 1029268246 /nfs/dbraw/zinc/26/82/46/1029268246.db2.gz SRSWYMAMQIVEBU-WOJBJXKFSA-N 1 0 307.441 3.521 20 10 DHCDRO CCC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817941167 1029283965 /nfs/dbraw/zinc/28/39/65/1029283965.db2.gz JGUMAPNTGRGUMD-QZTJIDSGSA-N 1 0 317.502 3.945 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817938783 1029284859 /nfs/dbraw/zinc/28/48/59/1029284859.db2.gz SIIWKQFJUXCEKF-RISCZKNCSA-N 1 0 323.893 3.818 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000817942196 1029289014 /nfs/dbraw/zinc/28/90/14/1029289014.db2.gz MVNCWRUIXJZQKS-IRFCIJBXSA-N 1 0 323.484 3.678 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954953 1029294913 /nfs/dbraw/zinc/29/49/13/1029294913.db2.gz NLAJGDZPLMNFLY-CVEARBPZSA-N 1 0 304.821 3.786 20 10 DHCDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000817952282 1029295834 /nfs/dbraw/zinc/29/58/34/1029295834.db2.gz DGVBHLFYZITFNF-ZWKOTPCHSA-N 1 0 310.441 3.793 20 10 DHCDRO CCC[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955969 1029296297 /nfs/dbraw/zinc/29/62/97/1029296297.db2.gz MIOQETOHPONOCY-SFHVURJKSA-N 1 0 313.401 3.851 20 10 DHCDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956715 1029297470 /nfs/dbraw/zinc/29/74/70/1029297470.db2.gz BAQGTKKAZQICHZ-PKOBYXMFSA-N 1 0 309.457 3.831 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cc(F)cc(F)c1[O-] ZINC000817962566 1029300661 /nfs/dbraw/zinc/30/06/61/1029300661.db2.gz KJOYZKUSJFVBBE-WDEREUQCSA-N 1 0 306.356 3.541 20 10 DHCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965170 1029304073 /nfs/dbraw/zinc/30/40/73/1029304073.db2.gz QMHLCPIXXCFAAV-MRXNPFEDSA-N 1 0 301.478 3.599 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779400743 1029313758 /nfs/dbraw/zinc/31/37/58/1029313758.db2.gz PZQQZHWPIBLJBE-SFHVURJKSA-N 1 0 300.377 3.643 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817975054 1029313798 /nfs/dbraw/zinc/31/37/98/1029313798.db2.gz IDZYZIYABDIUOB-WBMJQRKESA-N 1 0 312.413 3.927 20 10 DHCDRO CC[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817984629 1029321161 /nfs/dbraw/zinc/32/11/61/1029321161.db2.gz WBQQNQVHXAAOEV-JSGCOSHPSA-N 1 0 316.367 3.594 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985283 1029323400 /nfs/dbraw/zinc/32/34/00/1029323400.db2.gz IWPRUZDGNWUJJL-SWLSCSKDSA-N 1 0 308.853 3.761 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3sccc3C)C2)cc1 ZINC000818220048 1029356424 /nfs/dbraw/zinc/35/64/24/1029356424.db2.gz IBUFHCGDOSMQBG-HNNXBMFYSA-N 1 0 316.470 3.681 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C/C=C\c3ccccc3)C2)cc1 ZINC000818221830 1029357303 /nfs/dbraw/zinc/35/73/03/1029357303.db2.gz UNAFGAIPXGHLSW-NVAPOSRTSA-N 1 0 322.452 3.825 20 10 DHCDRO CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(N(C)C)cc1 ZINC000156004722 1029358844 /nfs/dbraw/zinc/35/88/44/1029358844.db2.gz XVTDENXYEGXIRA-SFHVURJKSA-N 1 0 301.434 3.641 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342231 1029372227 /nfs/dbraw/zinc/37/22/27/1029372227.db2.gz NMLQVHATKVHABB-FCEWJHQRSA-N 1 0 302.462 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1O ZINC000156075057 1029372964 /nfs/dbraw/zinc/37/29/64/1029372964.db2.gz RERXDGCSHWSCDT-KDOFPFPSSA-N 1 0 315.413 3.909 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000156123582 1029386774 /nfs/dbraw/zinc/38/67/74/1029386774.db2.gz ACFBJDOPJGIFBK-UHFFFAOYSA-N 1 0 324.380 3.654 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000374882451 1029488003 /nfs/dbraw/zinc/48/80/03/1029488003.db2.gz QCMGHUCZYXYBDR-UHFFFAOYSA-N 1 0 313.372 3.553 20 10 DHCDRO Oc1ccccc1C[N@H+](CCOC1CCC1)Cc1ccco1 ZINC000805745672 1029710817 /nfs/dbraw/zinc/71/08/17/1029710817.db2.gz DOZNZPHTXYZMKG-UHFFFAOYSA-N 1 0 301.386 3.557 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC000865698884 1029980538 /nfs/dbraw/zinc/98/05/38/1029980538.db2.gz RZCIMBFCGFWZRY-UHFFFAOYSA-N 1 0 304.478 3.969 20 10 DHCDRO CCOc1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c(O)c1 ZINC000865726758 1029992656 /nfs/dbraw/zinc/99/26/56/1029992656.db2.gz SJNDRMIIWVELTC-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](C)c3ccccc3)C2)cc1 ZINC000822494452 1030028570 /nfs/dbraw/zinc/02/85/70/1030028570.db2.gz OXTTWOLLSLVJSE-QZTJIDSGSA-N 1 0 324.468 3.915 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530384 1030045959 /nfs/dbraw/zinc/04/59/59/1030045959.db2.gz ZMVQXOABDSBUQP-KRWDZBQOSA-N 1 0 321.848 3.827 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000924708523 1030167775 /nfs/dbraw/zinc/16/77/75/1030167775.db2.gz QXTWWKGWVDDJLC-CYBMUJFWSA-N 1 0 319.499 3.547 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924862971 1030212646 /nfs/dbraw/zinc/21/26/46/1030212646.db2.gz SUPMLFRUYVFFDD-ZDUSSCGKSA-N 1 0 316.424 3.664 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccnn1C1CCC1 ZINC000925102569 1030271220 /nfs/dbraw/zinc/27/12/20/1030271220.db2.gz MGEIOVBVGIQDPC-GFCCVEGCSA-N 1 0 322.503 3.898 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(C)cc1O ZINC000866426190 1030291787 /nfs/dbraw/zinc/29/17/87/1030291787.db2.gz UVHKBXQCAWTADB-ZBFHGGJFSA-N 1 0 307.434 3.531 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000866480116 1030316484 /nfs/dbraw/zinc/31/64/84/1030316484.db2.gz FIXHIQULXFZJDJ-RHSMWYFYSA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000866486060 1030321120 /nfs/dbraw/zinc/32/11/20/1030321120.db2.gz XJAXUCAMRKIVNG-NWDGAFQWSA-N 1 0 312.369 3.959 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000866512732 1030337275 /nfs/dbraw/zinc/33/72/75/1030337275.db2.gz OKRXSVOOTBDYCX-UHCFXLPNSA-N 1 0 319.420 3.874 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1C ZINC000866529853 1030349230 /nfs/dbraw/zinc/34/92/30/1030349230.db2.gz SXRUYYBIIWRENH-CVEARBPZSA-N 1 0 303.446 3.866 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(C)cc1O ZINC000866531738 1030351838 /nfs/dbraw/zinc/35/18/38/1030351838.db2.gz SPIFJNOMQSTVSG-NVXWUHKLSA-N 1 0 303.446 3.948 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC(C)(C(C)C)CC2)cc1OC ZINC000777561244 1030352616 /nfs/dbraw/zinc/35/26/16/1030352616.db2.gz IXEDQUKNZWLFMY-UHFFFAOYSA-N 1 0 307.434 3.668 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000291153345 1030366754 /nfs/dbraw/zinc/36/67/54/1030366754.db2.gz IMPJDBIOYDGLCJ-CABCVRRESA-N 1 0 314.404 3.708 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(C)cc1O ZINC000866565899 1030379416 /nfs/dbraw/zinc/37/94/16/1030379416.db2.gz UNSFMHLHTJMGOU-CYBMUJFWSA-N 1 0 309.360 3.613 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)cc1 ZINC000823757208 1030390150 /nfs/dbraw/zinc/39/01/50/1030390150.db2.gz JBRKWTMLKBPKKN-LJQANCHMSA-N 1 0 314.473 3.976 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000823837149 1030407072 /nfs/dbraw/zinc/40/70/72/1030407072.db2.gz PXGGLVJHYPRFJU-UYAOXDASSA-N 1 0 316.489 3.970 20 10 DHCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000823837148 1030408710 /nfs/dbraw/zinc/40/87/10/1030408710.db2.gz PXGGLVJHYPRFJU-QUCCMNQESA-N 1 0 316.489 3.970 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2coc3ccccc23)c1 ZINC000823872031 1030418469 /nfs/dbraw/zinc/41/84/69/1030418469.db2.gz VRLAEFWFFJXUDT-CYBMUJFWSA-N 1 0 311.381 3.868 20 10 DHCDRO CCOCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824086690 1030472283 /nfs/dbraw/zinc/47/22/83/1030472283.db2.gz YSFVNMSRXRMLLM-UHFFFAOYSA-N 1 0 304.459 3.511 20 10 DHCDRO CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000925840040 1030517407 /nfs/dbraw/zinc/51/74/07/1030517407.db2.gz JYLVPSWLSRJBFH-ZMSDIMECSA-N 1 0 308.853 3.619 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000824483434 1030563353 /nfs/dbraw/zinc/56/33/53/1030563353.db2.gz MTHPCSDXAGUEPR-CQSZACIVSA-N 1 0 315.438 3.770 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000824571650 1030585869 /nfs/dbraw/zinc/58/58/69/1030585869.db2.gz OYFOGSJZKMOJNR-INIZCTEOSA-N 1 0 301.361 3.515 20 10 DHCDRO CC[N@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1O ZINC000824609986 1030595061 /nfs/dbraw/zinc/59/50/61/1030595061.db2.gz FPGOWTCACPKFJC-UHFFFAOYSA-N 1 0 304.821 3.814 20 10 DHCDRO CCC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000824620371 1030602133 /nfs/dbraw/zinc/60/21/33/1030602133.db2.gz MAPJLAJITKKPSX-UHFFFAOYSA-N 1 0 303.406 3.617 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291724192 1030617197 /nfs/dbraw/zinc/61/71/97/1030617197.db2.gz NBFJZNATTLYPFN-UHFFFAOYSA-N 1 0 313.401 3.686 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000824716405 1030620251 /nfs/dbraw/zinc/62/02/51/1030620251.db2.gz UFPNFZRJMSDCQK-YPMHNXCESA-N 1 0 317.351 3.954 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(OC)c2ccccc2)c1 ZINC000824779851 1030635174 /nfs/dbraw/zinc/63/51/74/1030635174.db2.gz CWVWLFIRRFVUKV-KUHUBIRLSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000824779847 1030636857 /nfs/dbraw/zinc/63/68/57/1030636857.db2.gz CWVWLFIRRFVUKV-AUUYWEPGSA-N 1 0 315.413 3.613 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cc(C)cs2)ccc1OC ZINC000824751396 1030639482 /nfs/dbraw/zinc/63/94/82/1030639482.db2.gz VFMDXIGUUPPONQ-UHFFFAOYSA-N 1 0 305.443 3.891 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824798896 1030641436 /nfs/dbraw/zinc/64/14/36/1030641436.db2.gz IPLBXDUZQIZCAG-CJNGLKHVSA-N 1 0 311.853 3.895 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000824815419 1030646582 /nfs/dbraw/zinc/64/65/82/1030646582.db2.gz OLKQTNRAVDMYQN-QRWLVFNGSA-N 1 0 311.425 3.916 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000824815417 1030647932 /nfs/dbraw/zinc/64/79/32/1030647932.db2.gz OLKQTNRAVDMYQN-FOIQADDNSA-N 1 0 311.425 3.916 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000824815418 1030648612 /nfs/dbraw/zinc/64/86/12/1030648612.db2.gz OLKQTNRAVDMYQN-MGPUTAFESA-N 1 0 311.425 3.916 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926812 1030674941 /nfs/dbraw/zinc/67/49/41/1030674941.db2.gz HKQBZJPCJVZJTC-LRDDRELGSA-N 1 0 319.836 3.634 20 10 DHCDRO COc1cccc(C[NH+]2CC(c3ccc(Cl)cc3)C2)c1O ZINC000824988166 1030694285 /nfs/dbraw/zinc/69/42/85/1030694285.db2.gz HNGRKKVYKQQPLL-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1O ZINC000825087127 1030720911 /nfs/dbraw/zinc/72/09/11/1030720911.db2.gz XWAUPQOOKLKDIA-HUUCEWRRSA-N 1 0 303.427 3.772 20 10 DHCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)c1 ZINC000825090787 1030724923 /nfs/dbraw/zinc/72/49/23/1030724923.db2.gz HVJOVWPNSNCKGQ-IYARVYRRSA-N 1 0 309.409 3.666 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCCc2nc(C(C)C)no2)cc1Cl ZINC000825214003 1030748041 /nfs/dbraw/zinc/74/80/41/1030748041.db2.gz BEJZHEGVPXXLCP-UHFFFAOYSA-N 1 0 323.824 3.583 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cnc(C)cc2C)ccc1OC ZINC000825221466 1030750803 /nfs/dbraw/zinc/75/08/03/1030750803.db2.gz NUEMDOWPHKUXRA-UHFFFAOYSA-N 1 0 314.429 3.533 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000825245106 1030758212 /nfs/dbraw/zinc/75/82/12/1030758212.db2.gz FHLPCFYJLSHUAA-ZFWWWQNUSA-N 1 0 317.351 3.613 20 10 DHCDRO COc1cccc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)c1O ZINC000825321893 1030774029 /nfs/dbraw/zinc/77/40/29/1030774029.db2.gz QIKXIDSEGOKICQ-HXUWFJFHSA-N 1 0 311.425 3.902 20 10 DHCDRO COCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825474509 1030822436 /nfs/dbraw/zinc/82/24/36/1030822436.db2.gz CLPOGUWJTPKTRG-AWEZNQCLSA-N 1 0 309.793 3.814 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1Cl ZINC000825484273 1030840191 /nfs/dbraw/zinc/84/01/91/1030840191.db2.gz JNZPRMXVIJXLMZ-OAHLLOKOSA-N 1 0 316.832 3.814 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1C ZINC000123154030 1031012400 /nfs/dbraw/zinc/01/24/00/1031012400.db2.gz PPRZEZVDWUUSSQ-CQSZACIVSA-N 1 0 309.413 3.741 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](CC)c3ccccc3O)C2)n1 ZINC000927053185 1031051440 /nfs/dbraw/zinc/05/14/40/1031051440.db2.gz OPDKBOZNYLGLCW-IPYPFGDCSA-N 1 0 315.417 3.715 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)n1 ZINC000927053806 1031052883 /nfs/dbraw/zinc/05/28/83/1031052883.db2.gz RTFRUFLDUBWART-MJBXVCDLSA-N 1 0 315.417 3.633 20 10 DHCDRO CC(C)Oc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000844321704 1031065476 /nfs/dbraw/zinc/06/54/76/1031065476.db2.gz HFGDXIAQUDAFRH-HNNXBMFYSA-N 1 0 313.445 3.786 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000927066796 1031066376 /nfs/dbraw/zinc/06/63/76/1031066376.db2.gz DOIOOFUFJOUDNF-OMPKRAJASA-N 1 0 317.408 3.800 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000927072951 1031073337 /nfs/dbraw/zinc/07/33/37/1031073337.db2.gz ZTHHDCYVTBDBBS-BZNIZROVSA-N 1 0 307.825 3.827 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(c3ccccc3)CCCO1)CC2 ZINC000927118745 1031103628 /nfs/dbraw/zinc/10/36/28/1031103628.db2.gz HGPPFASNSKXYHO-XLIONFOSSA-N 1 0 309.409 3.675 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c(O)c1C ZINC000927139543 1031115304 /nfs/dbraw/zinc/11/53/04/1031115304.db2.gz MLBAXBRPHYLSLI-ZMYBRWDISA-N 1 0 311.425 3.708 20 10 DHCDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(Cl)ccc1O ZINC000927138659 1031115345 /nfs/dbraw/zinc/11/53/45/1031115345.db2.gz GAYRVELMYAPQEK-AFBMGJRZSA-N 1 0 317.816 3.745 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000292726909 1031145832 /nfs/dbraw/zinc/14/58/32/1031145832.db2.gz FYGXFGNSOIEANZ-SJCJKPOMSA-N 1 0 303.427 3.554 20 10 DHCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2F)cc1OC ZINC000292835797 1031204652 /nfs/dbraw/zinc/20/46/52/1031204652.db2.gz RSLYGIFIDWXYNS-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000123659600 1031229958 /nfs/dbraw/zinc/22/99/58/1031229958.db2.gz CJRXCVMHWZYILD-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CSC)C2)c1O ZINC000292882713 1031233571 /nfs/dbraw/zinc/23/35/71/1031233571.db2.gz XYGJNILOLCBGQV-NSHDSACASA-N 1 0 315.866 3.629 20 10 DHCDRO Oc1ccc2ccncc2c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844726487 1031304773 /nfs/dbraw/zinc/30/47/73/1031304773.db2.gz YGDMUVJXUQESBG-UHFFFAOYSA-N 1 0 304.340 3.562 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Cl)ccc1O ZINC000844920879 1031402319 /nfs/dbraw/zinc/40/23/19/1031402319.db2.gz NTZOWIWHAPFSIP-BXUZGUMPSA-N 1 0 302.805 3.733 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872024045 1031407809 /nfs/dbraw/zinc/40/78/09/1031407809.db2.gz XPKGAKYKWBNHBF-HKUYNNGSSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872036750 1031419716 /nfs/dbraw/zinc/41/97/16/1031419716.db2.gz YEOQTDKMZYKOGZ-CYBMUJFWSA-N 1 0 302.393 3.757 20 10 DHCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)cc1O ZINC000293349054 1031438638 /nfs/dbraw/zinc/43/86/38/1031438638.db2.gz GVXSEXGIVXUHJP-QMMMGPOBSA-N 1 0 320.177 3.851 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)CC ZINC000872088048 1031483630 /nfs/dbraw/zinc/48/36/30/1031483630.db2.gz KVUVKLSPOKSJGD-LJQANCHMSA-N 1 0 318.505 3.952 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3oc(=O)[nH]c3c2)c(O)c1 ZINC000872121476 1031512725 /nfs/dbraw/zinc/51/27/25/1031512725.db2.gz CLAQDBJMGMWMOB-LBPRGKRZSA-N 1 0 312.369 3.707 20 10 DHCDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134011 1031527750 /nfs/dbraw/zinc/52/77/50/1031527750.db2.gz QDLQRZKDCDMRCV-TZMCWYRMSA-N 1 0 311.429 3.781 20 10 DHCDRO Cc1nonc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000872136599 1031531648 /nfs/dbraw/zinc/53/16/48/1031531648.db2.gz NOPAAHOEXCFXKB-KRWDZBQOSA-N 1 0 323.396 3.547 20 10 DHCDRO CC(C)C1([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000293609681 1031539663 /nfs/dbraw/zinc/53/96/63/1031539663.db2.gz DZDZANKXEPABLG-CQSZACIVSA-N 1 0 306.425 3.502 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260039 1031563252 /nfs/dbraw/zinc/56/32/52/1031563252.db2.gz HBGJZKXPHXMYNK-KRWDZBQOSA-N 1 0 319.445 3.715 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1C ZINC000872261262 1031564398 /nfs/dbraw/zinc/56/43/98/1031564398.db2.gz BLTAMTGVNATUPS-GOSISDBHSA-N 1 0 303.446 3.933 20 10 DHCDRO OCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000322206237 1031624398 /nfs/dbraw/zinc/62/43/98/1031624398.db2.gz UDLZUGIZCRFNHE-UHFFFAOYSA-N 1 0 316.489 3.709 20 10 DHCDRO CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)COC1 ZINC000293864202 1031663625 /nfs/dbraw/zinc/66/36/25/1031663625.db2.gz UQHOALAYLYFJFY-SFHVURJKSA-N 1 0 311.425 3.692 20 10 DHCDRO COc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825634779 1031675614 /nfs/dbraw/zinc/67/56/14/1031675614.db2.gz REDHWIKTESFWOL-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1cccnc1C(F)(F)F ZINC001144538300 1031685501 /nfs/dbraw/zinc/68/55/01/1031685501.db2.gz KTFRLPAPRWJUMO-UHFFFAOYSA-N 1 0 310.319 3.828 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cnn(CC)c2)cc1C ZINC000873130091 1031720747 /nfs/dbraw/zinc/72/07/47/1031720747.db2.gz YCNBHQUFHCDTFC-OAHLLOKOSA-N 1 0 301.434 3.851 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000873164974 1031734851 /nfs/dbraw/zinc/73/48/51/1031734851.db2.gz OBUXKBCWEAJCPN-UHFFFAOYSA-N 1 0 315.413 3.868 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(CSC)s2)c1 ZINC000845971372 1031789249 /nfs/dbraw/zinc/78/92/49/1031789249.db2.gz JFYRDYHJXJPKNJ-JTQLQIEISA-N 1 0 324.471 3.571 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1ccccc1O ZINC000846013569 1031810357 /nfs/dbraw/zinc/81/03/57/1031810357.db2.gz MUPSIFBFPPZXDI-IWEFOYFVSA-N 1 0 303.377 3.694 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000846035896 1031827534 /nfs/dbraw/zinc/82/75/34/1031827534.db2.gz VDUFFSVDUMINET-KBPBESRZSA-N 1 0 322.207 3.849 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1O ZINC000846149322 1031883121 /nfs/dbraw/zinc/88/31/21/1031883121.db2.gz YAEJRDVHUMGCQO-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO CCOc1ccccc1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148692 1031883273 /nfs/dbraw/zinc/88/32/73/1031883273.db2.gz ANMZUQSCQABJAF-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148121 1031883366 /nfs/dbraw/zinc/88/33/66/1031883366.db2.gz ZPWOMHZMYUIKNQ-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3ccc(Cl)cc32)c1O ZINC000846154719 1031884707 /nfs/dbraw/zinc/88/47/07/1031884707.db2.gz RLWLXFKDALVUJU-HZMBPMFUSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)c1O ZINC000846150355 1031886370 /nfs/dbraw/zinc/88/63/70/1031886370.db2.gz ZMRAAGQKLMVDBK-CZUORRHYSA-N 1 0 313.397 3.802 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)c1O ZINC000846157384 1031889197 /nfs/dbraw/zinc/88/91/97/1031889197.db2.gz MEFJXPSMAQEOSU-NFOMZHRRSA-N 1 0 307.434 3.788 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCNc2cccc(F)c2)c1O ZINC000846165245 1031893282 /nfs/dbraw/zinc/89/32/82/1031893282.db2.gz NOBDLSCOWXIXDP-CYBMUJFWSA-N 1 0 318.392 3.693 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1O ZINC000846163635 1031894579 /nfs/dbraw/zinc/89/45/79/1031894579.db2.gz CFJONHFXFOOXON-LSDHHAIUSA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1O ZINC000846164991 1031895131 /nfs/dbraw/zinc/89/51/31/1031895131.db2.gz MFOQKMRKMYIWEW-ZYHUDNBSSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000846168319 1031898451 /nfs/dbraw/zinc/89/84/51/1031898451.db2.gz SBXDQPGOADCAGN-IAQYHMDHSA-N 1 0 317.816 3.872 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2ccccc2)c1O ZINC000846137624 1031900031 /nfs/dbraw/zinc/90/00/31/1031900031.db2.gz UOPPMLIQMOSGPZ-CQSZACIVSA-N 1 0 301.386 3.521 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2ccc(F)cc2)c1O ZINC000846142749 1031902413 /nfs/dbraw/zinc/90/24/13/1031902413.db2.gz VUOMBAXMEIGFFL-CYBMUJFWSA-N 1 0 319.376 3.660 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)COc2ccc(C)cc2)c1O ZINC000846141103 1031903355 /nfs/dbraw/zinc/90/33/55/1031903355.db2.gz DJRQFIVCQCGFOU-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cccc(OC)c2O)o1 ZINC000846143066 1031904360 /nfs/dbraw/zinc/90/43/60/1031904360.db2.gz AIJISMMVESDDLZ-WFASDCNBSA-N 1 0 319.401 3.595 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000846147048 1031906756 /nfs/dbraw/zinc/90/67/56/1031906756.db2.gz VCEQYYOACRIJIR-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000846183350 1031917047 /nfs/dbraw/zinc/91/70/47/1031917047.db2.gz IAEGNYOZKYSGIR-IYOUNJFTSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000846188721 1031922214 /nfs/dbraw/zinc/92/22/14/1031922214.db2.gz OSWKOGPWBJZKSP-TWOQFEAHSA-N 1 0 312.457 3.699 20 10 DHCDRO Cc1cc(C[N@H+](C)CC2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000124647757 1031938365 /nfs/dbraw/zinc/93/83/65/1031938365.db2.gz XNTNGJZYZQVKIP-UHFFFAOYSA-N 1 0 305.462 3.857 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000124876667 1031984441 /nfs/dbraw/zinc/98/44/41/1031984441.db2.gz DPKWZUUPZUDLDT-JEDBISTDSA-N 1 0 302.462 3.751 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168286849 1032047741 /nfs/dbraw/zinc/04/77/41/1032047741.db2.gz KTJZZPYPOWNVNA-FQEVSTJZSA-N 1 0 324.468 3.751 20 10 DHCDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877468856 1033311127 /nfs/dbraw/zinc/31/11/27/1033311127.db2.gz OEOJAPJEXLWOBD-ZACQAIPSSA-N 1 0 316.489 3.514 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000136687757 1033313294 /nfs/dbraw/zinc/31/32/94/1033313294.db2.gz HYUZXUNRDGXNGR-MRXNPFEDSA-N 1 0 319.445 3.762 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000137065455 1033321360 /nfs/dbraw/zinc/32/13/60/1033321360.db2.gz NGYWSBVKXQACAL-MRXNPFEDSA-N 1 0 301.386 3.777 20 10 DHCDRO CCCC[N@H+](Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC000877503704 1033327845 /nfs/dbraw/zinc/32/78/45/1033327845.db2.gz UIYAZMZDIGNCLI-UHFFFAOYSA-N 1 0 305.809 3.638 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877508911 1033331259 /nfs/dbraw/zinc/33/12/59/1033331259.db2.gz FJZOKQHLMOCDNB-UZLBHIALSA-N 1 0 316.489 3.658 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3cccc(OC)c3)CC2)c1 ZINC000150890139 1033390414 /nfs/dbraw/zinc/39/04/14/1033390414.db2.gz WILYFMDUWDAHEZ-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1c([O-])cccc1F ZINC000927036847 1033406192 /nfs/dbraw/zinc/40/61/92/1033406192.db2.gz JYDICHWFMKCIMM-VNSJNIRKSA-N 1 0 306.425 3.589 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877674333 1033406961 /nfs/dbraw/zinc/40/69/61/1033406961.db2.gz UBMLINZMECPMNT-LEWJYISDSA-N 1 0 324.468 3.759 20 10 DHCDRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064575 1033412078 /nfs/dbraw/zinc/41/20/78/1033412078.db2.gz ZCMDWHKKDCVZCU-HNNXBMFYSA-N 1 0 316.470 3.744 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2CCOC3)cc1Cl ZINC000877698132 1033414875 /nfs/dbraw/zinc/41/48/75/1033414875.db2.gz QHEBMMDPTZMRCA-UHFFFAOYSA-N 1 0 317.816 3.717 20 10 DHCDRO COCc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000151189758 1033427849 /nfs/dbraw/zinc/42/78/49/1033427849.db2.gz ZFJYQPQSWRJJFS-AWEZNQCLSA-N 1 0 316.420 3.889 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1O ZINC000877756006 1033435629 /nfs/dbraw/zinc/43/56/29/1033435629.db2.gz YBMFCAUAYDHIQQ-MRXNPFEDSA-N 1 0 321.424 3.682 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000877811979 1033458797 /nfs/dbraw/zinc/45/87/97/1033458797.db2.gz DKDODSROOZDBEA-ZDUSSCGKSA-N 1 0 323.742 3.829 20 10 DHCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172918529 1033466949 /nfs/dbraw/zinc/46/69/49/1033466949.db2.gz RWLJQXVHXAGFQR-HKUYNNGSSA-N 1 0 302.462 3.724 20 10 DHCDRO Oc1cccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)c1O ZINC001173199932 1033589830 /nfs/dbraw/zinc/58/98/30/1033589830.db2.gz JJBQOBPGTMUTNK-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000862218458 1033782536 /nfs/dbraw/zinc/78/25/36/1033782536.db2.gz MCYJCJCFHWNUHD-UHFFFAOYSA-N 1 0 311.429 3.783 20 10 DHCDRO COCC1([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000777236835 1033799455 /nfs/dbraw/zinc/79/94/55/1033799455.db2.gz DRHIJVKAAOXAIS-INIZCTEOSA-N 1 0 302.462 3.897 20 10 DHCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001173634849 1033802274 /nfs/dbraw/zinc/80/22/74/1033802274.db2.gz HRBFCMWWECXZQV-UXLLHSPISA-N 1 0 318.461 3.525 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)c1 ZINC000862476458 1033862611 /nfs/dbraw/zinc/86/26/11/1033862611.db2.gz UVBHNTXGZLZVTG-AWEZNQCLSA-N 1 0 309.413 3.688 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000862479007 1033862641 /nfs/dbraw/zinc/86/26/41/1033862641.db2.gz YXMYRUSPCLEXSS-AWEZNQCLSA-N 1 0 314.385 3.720 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000862530279 1033876312 /nfs/dbraw/zinc/87/63/12/1033876312.db2.gz YMEUJPURWQWDOS-SNAWJCMRSA-N 1 0 308.425 3.530 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000862547795 1033886343 /nfs/dbraw/zinc/88/63/43/1033886343.db2.gz PKRYVFKUKUUJSL-UHFFFAOYSA-N 1 0 313.294 3.926 20 10 DHCDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862550476 1033886738 /nfs/dbraw/zinc/88/67/38/1033886738.db2.gz LVNMLDIQNDMNSQ-NNTXTVRGSA-N 1 0 305.418 3.588 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000879005108 1033893267 /nfs/dbraw/zinc/89/32/67/1033893267.db2.gz LZQRGXZGOPEVCV-UHFFFAOYSA-N 1 0 313.420 3.666 20 10 DHCDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649709 1034071141 /nfs/dbraw/zinc/07/11/41/1034071141.db2.gz SUVOHPCWUWBKIG-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000879650239 1034074700 /nfs/dbraw/zinc/07/47/00/1034074700.db2.gz QXTJGLXHNRBXKF-LBPRGKRZSA-N 1 0 300.402 3.746 20 10 DHCDRO CCOc1ccccc1OCC[NH2+][C@@H](C)c1ccccc1O ZINC000879651195 1034075836 /nfs/dbraw/zinc/07/58/36/1034075836.db2.gz MBQBCYZJFCTQFX-AWEZNQCLSA-N 1 0 301.386 3.521 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178561581 1034248648 /nfs/dbraw/zinc/24/86/48/1034248648.db2.gz CRFYJRCCSFFWPO-CQSZACIVSA-N 1 0 316.420 3.625 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178561598 1034248818 /nfs/dbraw/zinc/24/88/18/1034248818.db2.gz CRFYJRCCSFFWPO-AWEZNQCLSA-N 1 0 316.420 3.625 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178563722 1034249900 /nfs/dbraw/zinc/24/99/00/1034249900.db2.gz CUKMJJYUNOPTMW-IBGZPJMESA-N 1 0 316.420 3.625 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000178701590 1034257850 /nfs/dbraw/zinc/25/78/50/1034257850.db2.gz PYCLSIKHKZGWLN-HNAYVOBHSA-N 1 0 314.477 3.635 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@](C)(OC)C3)c2c1 ZINC000794656493 1034333450 /nfs/dbraw/zinc/33/34/50/1034333450.db2.gz MNLQFRXASGMKEZ-IBGZPJMESA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(N2CCCC2=O)c1 ZINC000183451402 1034388737 /nfs/dbraw/zinc/38/87/37/1034388737.db2.gz QLSUPKGLXCKYPC-GJZGRUSLSA-N 1 0 324.424 3.931 20 10 DHCDRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183512958 1034394481 /nfs/dbraw/zinc/39/44/81/1034394481.db2.gz ZJBNOQFXDPKUKP-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000183538014 1034395849 /nfs/dbraw/zinc/39/58/49/1034395849.db2.gz DLSQXDHLYWWZHB-VIFPVBQESA-N 1 0 316.348 3.761 20 10 DHCDRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183626079 1034403788 /nfs/dbraw/zinc/40/37/88/1034403788.db2.gz SIIGWDKZDFFNAR-OAHLLOKOSA-N 1 0 315.413 3.658 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)c(O)c1 ZINC000183715105 1034413355 /nfs/dbraw/zinc/41/33/55/1034413355.db2.gz GCFRPEUEGKQYDK-CQSZACIVSA-N 1 0 300.402 3.769 20 10 DHCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001202514650 1034456316 /nfs/dbraw/zinc/45/63/16/1034456316.db2.gz YORZEWDSQDHRER-WOJBJXKFSA-N 1 0 318.505 3.666 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800625 1034472656 /nfs/dbraw/zinc/47/26/56/1034472656.db2.gz DOHYWUNHPZEZFA-IBGZPJMESA-N 1 0 312.457 3.873 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(C)cc1O ZINC000794805497 1034491268 /nfs/dbraw/zinc/49/12/68/1034491268.db2.gz XWLIJHUVASPEOC-CQSZACIVSA-N 1 0 301.415 3.651 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c(O)c1 ZINC000184920269 1034511573 /nfs/dbraw/zinc/51/15/73/1034511573.db2.gz SFCJUUGSBWDTQL-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000184913136 1034513605 /nfs/dbraw/zinc/51/36/05/1034513605.db2.gz ZYQJMNSZPJTRRI-AWEZNQCLSA-N 1 0 314.473 3.548 20 10 DHCDRO CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccc(C)cc1O ZINC000794813774 1034519401 /nfs/dbraw/zinc/51/94/01/1034519401.db2.gz JRFAQQPUAIOEMF-HNNXBMFYSA-N 1 0 307.434 3.721 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(C)cc1O ZINC000794816036 1034526889 /nfs/dbraw/zinc/52/68/89/1034526889.db2.gz MTWZEMURWUUGPL-GOSISDBHSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1OC ZINC000185076794 1034527962 /nfs/dbraw/zinc/52/79/62/1034527962.db2.gz ACMAVNOMXZBQHZ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812325 1034530369 /nfs/dbraw/zinc/53/03/69/1034530369.db2.gz VVEOIPYGAOHGHJ-IAGOWNOFSA-N 1 0 303.377 3.614 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185143468 1034530940 /nfs/dbraw/zinc/53/09/40/1034530940.db2.gz AZIADEUHMRUMTF-LBPRGKRZSA-N 1 0 304.365 3.566 20 10 DHCDRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(F)cc1[O-] ZINC000185151864 1034532428 /nfs/dbraw/zinc/53/24/28/1034532428.db2.gz HQKCRKQFMFGOHP-GFCCVEGCSA-N 1 0 313.376 3.691 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(C)cc1O ZINC000794811636 1034534440 /nfs/dbraw/zinc/53/44/40/1034534440.db2.gz STTBXSRNQSJVCS-DLBZAZTESA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@H]([NH2+]CCc1nccs1)c1cc2c(cc1O)CCCC2 ZINC000185248174 1034538207 /nfs/dbraw/zinc/53/82/07/1034538207.db2.gz WWPMQOYLXBCUND-LBPRGKRZSA-N 1 0 302.443 3.621 20 10 DHCDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794827944 1034548152 /nfs/dbraw/zinc/54/81/52/1034548152.db2.gz MRJIFAZOSNHDRQ-CQSZACIVSA-N 1 0 306.425 3.503 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1O ZINC000185532928 1034553868 /nfs/dbraw/zinc/55/38/68/1034553868.db2.gz BESNNKIMONORGB-GUYCJALGSA-N 1 0 303.377 3.696 20 10 DHCDRO C[C@H]([NH2+]Cc1cccnc1F)c1cc2c(cc1O)CCCC2 ZINC000794831935 1034559637 /nfs/dbraw/zinc/55/96/37/1034559637.db2.gz ADOWZNGPLOWPAL-LBPRGKRZSA-N 1 0 300.377 3.656 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)o1 ZINC000185676889 1034565061 /nfs/dbraw/zinc/56/50/61/1034565061.db2.gz IJGUFAPXRXAUFB-HNNXBMFYSA-N 1 0 305.349 3.608 20 10 DHCDRO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000185918133 1034585712 /nfs/dbraw/zinc/58/57/12/1034585712.db2.gz OEKMONIUEYOSQC-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC000186094146 1034599312 /nfs/dbraw/zinc/59/93/12/1034599312.db2.gz WEZYQRWXQWRGLY-LJQANCHMSA-N 1 0 321.424 3.878 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000186196331 1034607650 /nfs/dbraw/zinc/60/76/50/1034607650.db2.gz RQWYNWYUOFDARJ-DIFFPNOSSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865465934 1034659600 /nfs/dbraw/zinc/65/96/00/1034659600.db2.gz MASKJWJWAWIQBI-UHFFFAOYSA-N 1 0 305.372 3.683 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1 ZINC000186769997 1034661469 /nfs/dbraw/zinc/66/14/69/1034661469.db2.gz UGGRPFTZGHIIJW-PWSUYJOCSA-N 1 0 306.431 3.620 20 10 DHCDRO CCCOc1ccc(C[NH+]2CCC(C)(OCC)CC2)c(O)c1 ZINC000292222587 1034681530 /nfs/dbraw/zinc/68/15/30/1034681530.db2.gz AHVMUEHNURFIJD-UHFFFAOYSA-N 1 0 307.434 3.572 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747081 1034727888 /nfs/dbraw/zinc/72/78/88/1034727888.db2.gz FVOMCROLOXQAJM-GFCCVEGCSA-N 1 0 324.415 3.728 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC001177066368 1035346246 /nfs/dbraw/zinc/34/62/46/1035346246.db2.gz VUYFRVRTVCQYMM-MHNQQFQPSA-N 1 0 323.484 3.658 20 10 DHCDRO C[N@H+](CCNCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001177519381 1035375993 /nfs/dbraw/zinc/37/59/93/1035375993.db2.gz BJISVSGFCSOYPL-UHFFFAOYSA-N 1 0 315.505 3.641 20 10 DHCDRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000904274468 1035394185 /nfs/dbraw/zinc/39/41/85/1035394185.db2.gz MUYOUCXIAOBAJD-WJYNOGRTSA-N 1 0 323.400 3.961 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001178330979 1035422750 /nfs/dbraw/zinc/42/27/50/1035422750.db2.gz LEAMHXBBTARGDR-QWPQOLDESA-N 1 0 302.462 3.702 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC001178724149 1035442704 /nfs/dbraw/zinc/44/27/04/1035442704.db2.gz XCBKRSDTEOLIFF-QUCCMNQESA-N 1 0 318.505 3.954 20 10 DHCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001178762993 1035446671 /nfs/dbraw/zinc/44/66/71/1035446671.db2.gz WSMHUABGKJCUHW-NRFANRHFSA-N 1 0 324.468 3.938 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(Cl)c1 ZINC001178773647 1035448938 /nfs/dbraw/zinc/44/89/38/1035448938.db2.gz BEXUBUGXBFHYIK-WMLDXEAASA-N 1 0 313.869 3.733 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)cc1 ZINC001178774849 1035449543 /nfs/dbraw/zinc/44/95/43/1035449543.db2.gz MRDOLCAZJYPSOU-WOJBJXKFSA-N 1 0 320.521 3.912 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](OCC)C2)cc1 ZINC001178917197 1035454995 /nfs/dbraw/zinc/45/49/95/1035454995.db2.gz WGWNREPTAXIQCP-IZAXUBKRSA-N 1 0 304.478 3.970 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3C)C2)cc1 ZINC001179129744 1035466462 /nfs/dbraw/zinc/46/64/62/1035466462.db2.gz ZKVGFHNNWBJNMG-GOSISDBHSA-N 1 0 310.441 3.681 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c2ccccc21 ZINC001204239706 1035467808 /nfs/dbraw/zinc/46/78/08/1035467808.db2.gz DGVOZGHDLNNNNT-UHFFFAOYSA-N 1 0 310.441 3.707 20 10 DHCDRO CC(C)O[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240291 1035468812 /nfs/dbraw/zinc/46/88/12/1035468812.db2.gz NOTMNTHLMDGMGI-KRWDZBQOSA-N 1 0 312.457 3.905 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1 ZINC001179364726 1035475587 /nfs/dbraw/zinc/47/55/87/1035475587.db2.gz AUIWLFDRQRSXAF-IHHMQQGQSA-N 1 0 316.489 3.951 20 10 DHCDRO C[C@H]([NH2+]Cc1c(Cl)nc2ccccn21)c1ccccc1O ZINC001179494159 1035481130 /nfs/dbraw/zinc/48/11/30/1035481130.db2.gz LMQOKHQKKYGTHQ-NSHDSACASA-N 1 0 301.777 3.544 20 10 DHCDRO C[C@H]1Cc2cc(C[NH2+]Cc3c(O)cccc3Cl)ccc2O1 ZINC001179537371 1035481383 /nfs/dbraw/zinc/48/13/83/1035481383.db2.gz ISYOWWIDNNPJFW-NSHDSACASA-N 1 0 303.789 3.659 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1O ZINC000797134475 1035490065 /nfs/dbraw/zinc/49/00/65/1035490065.db2.gz SMKAOANRSWIDRR-VGOFRKELSA-N 1 0 317.454 3.512 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC001193247833 1035592705 /nfs/dbraw/zinc/59/27/05/1035592705.db2.gz AMLLGETVDJYYPA-AEFFLSMTSA-N 1 0 316.489 3.746 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001181153641 1035852180 /nfs/dbraw/zinc/85/21/80/1035852180.db2.gz FROCHTFPEFFNKH-UHFFFAOYSA-N 1 0 307.441 3.875 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC001181419305 1035905912 /nfs/dbraw/zinc/90/59/12/1035905912.db2.gz YVOBMYJTTBYGQK-WMZOPIPTSA-N 1 0 321.367 3.662 20 10 DHCDRO CCc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC001182161545 1036112112 /nfs/dbraw/zinc/11/21/12/1036112112.db2.gz QKBMBPVOWMFOOP-IBGZPJMESA-N 1 0 322.452 3.592 20 10 DHCDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(OC)ccc1O ZINC000775654538 1036249229 /nfs/dbraw/zinc/24/92/29/1036249229.db2.gz LJIIRWFYGAMPEU-OAHLLOKOSA-N 1 0 303.427 3.972 20 10 DHCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001182424196 1036274385 /nfs/dbraw/zinc/27/43/85/1036274385.db2.gz QJHSJSXBPSKLQQ-ZYSHUDEJSA-N 1 0 316.489 3.539 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)ccc1N(C)C ZINC001195546835 1036280773 /nfs/dbraw/zinc/28/07/73/1036280773.db2.gz KCGWJMBRYBNKPQ-IBGZPJMESA-N 1 0 309.457 3.836 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774361000 1036297677 /nfs/dbraw/zinc/29/76/77/1036297677.db2.gz WJWNYCIHACPYBV-WCDAPOTHSA-N 1 0 304.217 3.509 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000774377439 1036307310 /nfs/dbraw/zinc/30/73/10/1036307310.db2.gz HXVXBPSOXYTEPZ-JXFKEZNVSA-N 1 0 315.505 3.810 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1 ZINC000775668385 1036312988 /nfs/dbraw/zinc/31/29/88/1036312988.db2.gz YIEKZFKGTRTRGT-UHFFFAOYSA-N 1 0 314.429 3.656 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000774402548 1036318681 /nfs/dbraw/zinc/31/86/81/1036318681.db2.gz RJYRTRAMICUEFE-DOTOQJQBSA-N 1 0 323.795 3.959 20 10 DHCDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774475422 1036353968 /nfs/dbraw/zinc/35/39/68/1036353968.db2.gz SMUCAWGZPKBKDK-OAHLLOKOSA-N 1 0 314.477 3.908 20 10 DHCDRO CCc1cccc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1O ZINC001182500460 1036364954 /nfs/dbraw/zinc/36/49/54/1036364954.db2.gz SZFULZRBSFXYKK-UHFFFAOYSA-N 1 0 321.461 3.802 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)C2)cc1 ZINC001182509862 1036368191 /nfs/dbraw/zinc/36/81/91/1036368191.db2.gz YJRQSQVLMRGWLN-HZPDHXFCSA-N 1 0 304.478 3.793 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC001182605864 1036410571 /nfs/dbraw/zinc/41/05/71/1036410571.db2.gz XQFFUHDZJRDBSJ-INIZCTEOSA-N 1 0 321.461 3.658 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC001182616277 1036413775 /nfs/dbraw/zinc/41/37/75/1036413775.db2.gz MXXKSHGWKJSWCY-SFHVURJKSA-N 1 0 320.477 3.517 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)c(O)c1 ZINC001182835233 1036466079 /nfs/dbraw/zinc/46/60/79/1036466079.db2.gz PFGLHEAJUVGZLE-HXUWFJFHSA-N 1 0 307.393 3.677 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163574332 1036509218 /nfs/dbraw/zinc/50/92/18/1036509218.db2.gz KBJXCUFMWNDDSY-HOCLYGCPSA-N 1 0 308.441 3.628 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C/C=C/c3ccccc3)CC2)cc1 ZINC000102432625 1036517270 /nfs/dbraw/zinc/51/72/70/1036517270.db2.gz ADPXUWLZTHVALF-VMPITWQZSA-N 1 0 322.452 3.967 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000775713735 1036525089 /nfs/dbraw/zinc/52/50/89/1036525089.db2.gz MBZLWCMWSHCZSV-QFBILLFUSA-N 1 0 311.425 3.971 20 10 DHCDRO Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000775717277 1036536738 /nfs/dbraw/zinc/53/67/38/1036536738.db2.gz OCCQTGNNGCWCMP-SJORKVTESA-N 1 0 322.880 3.801 20 10 DHCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000775725676 1036561411 /nfs/dbraw/zinc/56/14/11/1036561411.db2.gz LHJBTVDYIFIMHQ-LBPRGKRZSA-N 1 0 310.235 3.695 20 10 DHCDRO CCc1cc(C[N@@H+]2CCOCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660854 1036648422 /nfs/dbraw/zinc/64/84/22/1036648422.db2.gz ROTREPRQZRHRFC-CQSZACIVSA-N 1 0 305.462 3.863 20 10 DHCDRO CC(C)OC(=O)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001183884932 1036693420 /nfs/dbraw/zinc/69/34/20/1036693420.db2.gz ARWRZYNDTDWLCN-UHFFFAOYSA-N 1 0 319.445 3.679 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000915229790 1036722549 /nfs/dbraw/zinc/72/25/49/1036722549.db2.gz RBNGDDMUOKFLSU-QFBILLFUSA-N 1 0 304.478 3.970 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000915229788 1036723417 /nfs/dbraw/zinc/72/34/17/1036723417.db2.gz RBNGDDMUOKFLSU-LPHOPBHVSA-N 1 0 304.478 3.970 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000915229786 1036724233 /nfs/dbraw/zinc/72/42/33/1036724233.db2.gz RBNGDDMUOKFLSU-APWZRJJASA-N 1 0 304.478 3.970 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762456375 1036772681 /nfs/dbraw/zinc/77/26/81/1036772681.db2.gz MXSCOLYSTVLZSP-UHFFFAOYSA-N 1 0 304.478 3.826 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCCC1 ZINC001184217324 1036773257 /nfs/dbraw/zinc/77/32/57/1036773257.db2.gz DTFBNFMJTVYVHY-UZLBHIALSA-N 1 0 317.521 3.914 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ccccc1)OCO2 ZINC000762468865 1036775114 /nfs/dbraw/zinc/77/51/14/1036775114.db2.gz XRPGSZFYVGRUAH-INIZCTEOSA-N 1 0 311.381 3.848 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000762484321 1036788992 /nfs/dbraw/zinc/78/89/92/1036788992.db2.gz CXIWSABIZDPTSD-APWZRJJASA-N 1 0 304.478 3.828 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000762484322 1036790187 /nfs/dbraw/zinc/79/01/87/1036790187.db2.gz CXIWSABIZDPTSD-LPHOPBHVSA-N 1 0 304.478 3.828 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000762484324 1036791926 /nfs/dbraw/zinc/79/19/26/1036791926.db2.gz CXIWSABIZDPTSD-QFBILLFUSA-N 1 0 304.478 3.828 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1F ZINC000152026843 1036799449 /nfs/dbraw/zinc/79/94/49/1036799449.db2.gz OEVNIROJHDDPED-AWEZNQCLSA-N 1 0 301.409 3.918 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000155755542 1036849191 /nfs/dbraw/zinc/84/91/91/1036849191.db2.gz HPQXFFQGPCHVDF-AZUAARDMSA-N 1 0 311.425 3.657 20 10 DHCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237178106 1036993854 /nfs/dbraw/zinc/99/38/54/1036993854.db2.gz ANVZWDKHIKLCJL-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1F ZINC000774831003 1037043729 /nfs/dbraw/zinc/04/37/29/1037043729.db2.gz ROQOTENNYNPIHH-YJBOKZPZSA-N 1 0 308.441 3.577 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]CCC1(F)CCC1 ZINC000702531068 1037105573 /nfs/dbraw/zinc/10/55/73/1037105573.db2.gz HILMEPVKHQWHHA-UHFFFAOYSA-N 1 0 302.187 3.527 20 10 DHCDRO CCC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000152475286 1037240749 /nfs/dbraw/zinc/24/07/49/1037240749.db2.gz RJPZIJNXCFXRTJ-MRXNPFEDSA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000776001803 1037294345 /nfs/dbraw/zinc/29/43/45/1037294345.db2.gz BOJIDLZYHNUEFP-IRXDYDNUSA-N 1 0 311.425 3.992 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776015664 1037308067 /nfs/dbraw/zinc/30/80/67/1037308067.db2.gz XBHMRFYVJSAFRX-CMPLNLGQSA-N 1 0 303.324 3.564 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000776011837 1037308637 /nfs/dbraw/zinc/30/86/37/1037308637.db2.gz BQKUTLYUACEXBR-FZMZJTMJSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000776015640 1037310500 /nfs/dbraw/zinc/31/05/00/1037310500.db2.gz WCKRZJFGNVTTQT-DGCLKSJQSA-N 1 0 317.351 3.954 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000152512279 1037381745 /nfs/dbraw/zinc/38/17/45/1037381745.db2.gz FEDWJVNHMNLVSE-ROUUACIJSA-N 1 0 323.484 3.930 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000090717423 1037406877 /nfs/dbraw/zinc/40/68/77/1037406877.db2.gz AKKUPMDEZIAENM-KSSFIOAISA-N 1 0 320.452 3.892 20 10 DHCDRO CCO[C@@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001200910477 1037459748 /nfs/dbraw/zinc/45/97/48/1037459748.db2.gz FWZWSQOADJSUGR-IBGZPJMESA-N 1 0 304.478 3.828 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCCNc2ccccn2)cc1C ZINC001200902848 1037471214 /nfs/dbraw/zinc/47/12/14/1037471214.db2.gz XIZUEWCDQHJIEY-UHFFFAOYSA-N 1 0 313.445 3.771 20 10 DHCDRO COc1ccc(-c2cc(C[NH2+][C@H](C)c3ccccc3O)on2)cc1 ZINC000775130453 1037656498 /nfs/dbraw/zinc/65/64/98/1037656498.db2.gz LEIJZHQVANPEHF-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO CCCN(Cc1nc2ccccc2n1CC)c1ccc(C[NH3+])cc1 ZINC000775141131 1037711551 /nfs/dbraw/zinc/71/15/51/1037711551.db2.gz XASPLVYWNAZNNG-UHFFFAOYSA-N 1 0 322.456 3.932 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000154099978 1037815574 /nfs/dbraw/zinc/81/55/74/1037815574.db2.gz PKDZJOUOHORAIY-ROUUACIJSA-N 1 0 315.461 3.689 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000763399077 1037818214 /nfs/dbraw/zinc/81/82/14/1037818214.db2.gz RREQMDIXXBQUKA-BEFAXECRSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1O ZINC000775173378 1037910771 /nfs/dbraw/zinc/91/07/71/1037910771.db2.gz QTGOOWHEDDIYJC-INIZCTEOSA-N 1 0 317.816 3.707 20 10 DHCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000106479320 1038103069 /nfs/dbraw/zinc/10/30/69/1038103069.db2.gz ZTVVGRIQXNKECD-OAQYLSRUSA-N 1 0 322.452 3.609 20 10 DHCDRO COc1ccccc1OCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164192164 1038103669 /nfs/dbraw/zinc/10/36/69/1038103669.db2.gz SUNLZRGIKXHFJL-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO COc1ccc(N2CCC[N@H+](C/C=C/c3ccccc3)CC2)cc1 ZINC000917089672 1038187219 /nfs/dbraw/zinc/18/72/19/1038187219.db2.gz CSHXDVJSIFQIHR-WEVVVXLNSA-N 1 0 322.452 3.921 20 10 DHCDRO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000775365806 1038279765 /nfs/dbraw/zinc/27/97/65/1038279765.db2.gz XSHDCDGJHWWQQP-HNNXBMFYSA-N 1 0 308.425 3.879 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000157040066 1038487723 /nfs/dbraw/zinc/48/77/23/1038487723.db2.gz OCVYBWOVVBYDIR-GDBMZVCRSA-N 1 0 305.418 3.509 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000775483461 1038550599 /nfs/dbraw/zinc/55/05/99/1038550599.db2.gz WBRCMYXJWAYTPF-LSDHHAIUSA-N 1 0 322.836 3.982 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000775492770 1038569243 /nfs/dbraw/zinc/56/92/43/1038569243.db2.gz QWRQEWAGFZDDGS-CABCVRRESA-N 1 0 319.836 3.897 20 10 DHCDRO COc1ccc(N2CC[NH+](CCCC(C)(C)C)CC2)cc1F ZINC001192107441 1038587381 /nfs/dbraw/zinc/58/73/81/1038587381.db2.gz HZRPIVGXRBLCHP-UHFFFAOYSA-N 1 0 308.441 3.783 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccccc1O ZINC000775551998 1038709880 /nfs/dbraw/zinc/70/98/80/1038709880.db2.gz QJAIHXZDFDUYTC-VQIMIIECSA-N 1 0 311.425 3.999 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1F ZINC000170779208 1038959705 /nfs/dbraw/zinc/95/97/05/1038959705.db2.gz LYXHURNAOOBCTL-GOSISDBHSA-N 1 0 321.367 3.616 20 10 DHCDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(=O)OC ZINC000760871906 1038962535 /nfs/dbraw/zinc/96/25/35/1038962535.db2.gz WUOVCYXMDZKTGZ-CQSZACIVSA-N 1 0 307.434 3.639 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1O ZINC000230934569 1040059362 /nfs/dbraw/zinc/05/93/62/1040059362.db2.gz QTSLUNVYOQKTOX-OLZOCXBDSA-N 1 0 315.866 3.818 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc(F)c1 ZINC000227436110 1040262321 /nfs/dbraw/zinc/26/23/21/1040262321.db2.gz RFGOPSBKGWFLPB-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000227713141 1040367785 /nfs/dbraw/zinc/36/77/85/1040367785.db2.gz BVXKRQHVKPKFAD-ZIAGYGMSSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761226918 1040819352 /nfs/dbraw/zinc/81/93/52/1040819352.db2.gz XCJITTXNZOBBTM-HXUWFJFHSA-N 1 0 324.468 3.797 20 10 DHCDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C[NH+]1CCCC1 ZINC000060942128 1041333075 /nfs/dbraw/zinc/33/30/75/1041333075.db2.gz RHPWGAAMLKPULZ-LLVKDONJSA-N 1 0 317.260 3.521 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000091891423 193123615 /nfs/dbraw/zinc/12/36/15/193123615.db2.gz UOMRTWQXMMFPHH-RDJZCZTQSA-N 1 0 317.454 3.850 20 10 DHCDRO CCCOc1ccc(C[N@H+](CC)Cc2ccccn2)c(O)c1 ZINC000093338869 193235241 /nfs/dbraw/zinc/23/52/41/193235241.db2.gz UMCJGFDOGDLWGH-UHFFFAOYSA-N 1 0 300.402 3.598 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(F)ccc1O ZINC000094616953 193384666 /nfs/dbraw/zinc/38/46/66/193384666.db2.gz MVVGIKVVELQZRU-FZMZJTMJSA-N 1 0 308.422 3.546 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000019233402 182111090 /nfs/dbraw/zinc/11/10/90/182111090.db2.gz REJNGCUASUNVPM-HIFRSBDPSA-N 1 0 304.459 3.716 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1C ZINC000273345788 130108876 /nfs/dbraw/zinc/10/88/76/130108876.db2.gz AQZXLYQFBYIQNJ-MPGHIAIKSA-N 1 0 321.486 3.714 20 10 DHCDRO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cs1 ZINC000273367555 130113213 /nfs/dbraw/zinc/11/32/13/130113213.db2.gz BSSXCFKFAYEWMY-RYUDHWBXSA-N 1 0 306.431 3.715 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(F)ccc1O ZINC000273405860 130117014 /nfs/dbraw/zinc/11/70/14/130117014.db2.gz OIZICCNWZKPEHP-ABAIWWIYSA-N 1 0 308.422 3.546 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000273425844 130121073 /nfs/dbraw/zinc/12/10/73/130121073.db2.gz UBAGKMIFMXCGKM-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000273441249 130121789 /nfs/dbraw/zinc/12/17/89/130121789.db2.gz YKTYYAQLOISKDX-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496120 130129326 /nfs/dbraw/zinc/12/93/26/130129326.db2.gz PCWKBLWRJSAQSN-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500981 130129349 /nfs/dbraw/zinc/12/93/49/130129349.db2.gz QDFBMKMUESISND-GJZGRUSLSA-N 1 0 321.486 3.796 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553560 130135077 /nfs/dbraw/zinc/13/50/77/130135077.db2.gz GLGLXFGFAOHNJV-VHSXEESVSA-N 1 0 305.249 3.690 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c(O)c1C ZINC000273558545 130136655 /nfs/dbraw/zinc/13/66/55/130136655.db2.gz HMVFTOZYMAXFMQ-ZYHUDNBSSA-N 1 0 305.340 3.627 20 10 DHCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)sc1C ZINC000273611463 130143263 /nfs/dbraw/zinc/14/32/63/130143263.db2.gz WDGJONUBQDLCJF-ZDUSSCGKSA-N 1 0 304.459 3.976 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)cc1O ZINC000273605167 130143768 /nfs/dbraw/zinc/14/37/68/130143768.db2.gz TWWJIJCHXIGRMF-MWLCHTKSSA-N 1 0 316.264 3.701 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CCO2 ZINC000274387718 130230730 /nfs/dbraw/zinc/23/07/30/130230730.db2.gz NVYKXVPDJGBYSE-DYVFJYSZSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1ccccc1O ZINC000274958736 130276812 /nfs/dbraw/zinc/27/68/12/130276812.db2.gz WJVQVWZVLUEMPF-PUECVXPYSA-N 1 0 303.377 3.694 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccn1 ZINC000275028433 130285800 /nfs/dbraw/zinc/28/58/00/130285800.db2.gz BFROZOGMBPSZQI-UHFFFAOYSA-N 1 0 319.449 3.689 20 10 DHCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000284198423 131058860 /nfs/dbraw/zinc/05/88/60/131058860.db2.gz BOUFGOSQXHJKPR-INIZCTEOSA-N 1 0 302.462 3.633 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1C ZINC000284228861 131061507 /nfs/dbraw/zinc/06/15/07/131061507.db2.gz DGZROCLSYSIRLX-LBPRGKRZSA-N 1 0 322.355 3.856 20 10 DHCDRO Cn1nccc1C1=CC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000285201622 131147165 /nfs/dbraw/zinc/14/71/65/131147165.db2.gz WKTDCSGZBKCSPQ-UHFFFAOYSA-N 1 0 319.408 3.568 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285458899 131170193 /nfs/dbraw/zinc/17/01/93/131170193.db2.gz AFGSSALFJXUOKY-SFHVURJKSA-N 1 0 312.461 3.887 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1O ZINC000286870096 131253680 /nfs/dbraw/zinc/25/36/80/131253680.db2.gz BRZBVGAOPADQJK-WBMJQRKESA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(OC)c(OC)c1 ZINC000289359472 131377997 /nfs/dbraw/zinc/37/79/97/131377997.db2.gz KDYPYEDCOUPXNV-HNNXBMFYSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(N2CCCC2)n1 ZINC000289572088 131396803 /nfs/dbraw/zinc/39/68/03/131396803.db2.gz AZIKUCDRZWUREZ-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000297263986 132006618 /nfs/dbraw/zinc/00/66/18/132006618.db2.gz KELQICQMWVWKLE-CYBMUJFWSA-N 1 0 323.314 3.910 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c1O ZINC000529568617 331612389 /nfs/dbraw/zinc/61/23/89/331612389.db2.gz TVWCLLAFCXHHJQ-OAHLLOKOSA-N 1 0 321.779 3.970 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000074336372 331671013 /nfs/dbraw/zinc/67/10/13/331671013.db2.gz OPLMQCKUGCMQJU-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000294986472 335129567 /nfs/dbraw/zinc/12/95/67/335129567.db2.gz KFFGXSSTJZIFCK-DGCLKSJQSA-N 1 0 317.351 3.954 20 10 DHCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192692052 333291472 /nfs/dbraw/zinc/29/14/72/333291472.db2.gz RHBVVYPMMXAXKU-WDEREUQCSA-N 1 0 317.260 3.691 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000184999152 333368598 /nfs/dbraw/zinc/36/85/98/333368598.db2.gz KXPHJSZVVVPIQL-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186075388 333372082 /nfs/dbraw/zinc/37/20/82/333372082.db2.gz UUCOXDKBIOHWKT-ZIAGYGMSSA-N 1 0 301.430 3.993 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517714 333373981 /nfs/dbraw/zinc/37/39/81/333373981.db2.gz WGAPAMGFCALPRN-AWEZNQCLSA-N 1 0 322.449 3.656 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000295837931 335139872 /nfs/dbraw/zinc/13/98/72/335139872.db2.gz AHWILLPOPLYNST-SCTDSRPQSA-N 1 0 316.489 3.879 20 10 DHCDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296999539 335150671 /nfs/dbraw/zinc/15/06/71/335150671.db2.gz STFFRJKKJIVZTQ-AWEZNQCLSA-N 1 0 318.760 3.731 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000271362391 334021316 /nfs/dbraw/zinc/02/13/16/334021316.db2.gz NPNMQTASPHGNMK-HOCLYGCPSA-N 1 0 303.427 3.542 20 10 DHCDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273460894 334047299 /nfs/dbraw/zinc/04/72/99/334047299.db2.gz CQAJPYAHJJYCID-ZDUSSCGKSA-N 1 0 304.459 3.921 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000282801637 334137225 /nfs/dbraw/zinc/13/72/25/334137225.db2.gz RZLQSWHXQQVJKO-OAHLLOKOSA-N 1 0 309.837 3.793 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000292803921 334192621 /nfs/dbraw/zinc/19/26/21/334192621.db2.gz NWZZQDIRNIOAQX-SFHVURJKSA-N 1 0 312.413 3.769 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000292803918 334192676 /nfs/dbraw/zinc/19/26/76/334192676.db2.gz NWZZQDIRNIOAQX-GOSISDBHSA-N 1 0 312.413 3.769 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C)c1cc(F)ccc1O ZINC000368582110 336848411 /nfs/dbraw/zinc/84/84/11/336848411.db2.gz DTEBVKXDXWXRIN-YAXFVEMYSA-N 1 0 305.324 3.843 20 10 DHCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000368995870 336856424 /nfs/dbraw/zinc/85/64/24/336856424.db2.gz UXPDEVBGRSUQJS-WFASDCNBSA-N 1 0 317.408 3.517 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1O ZINC000369652111 336869009 /nfs/dbraw/zinc/86/90/09/336869009.db2.gz BZGNXBDQBZSKCZ-IAGOWNOFSA-N 1 0 310.441 3.959 20 10 DHCDRO C[C@H]1[N@H+](Cc2c(O)ccc3ccccc32)CCC12CCOCC2 ZINC000375240875 337006353 /nfs/dbraw/zinc/00/63/53/337006353.db2.gz YLBAYRJYZMSTKQ-OAHLLOKOSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)n1 ZINC000375239594 337006456 /nfs/dbraw/zinc/00/64/56/337006456.db2.gz UZQSNQNNTJRRHU-GRTSSRMGSA-N 1 0 315.417 3.769 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450753 337011310 /nfs/dbraw/zinc/01/13/10/337011310.db2.gz DEHSVIHZBGBWNE-GDBMZVCRSA-N 1 0 313.445 3.686 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCc3cccnc32)c1 ZINC000377243124 337049270 /nfs/dbraw/zinc/04/92/70/337049270.db2.gz ILGPOUZXFGPIPO-KRWDZBQOSA-N 1 0 312.413 3.695 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684550 337250110 /nfs/dbraw/zinc/25/01/10/337250110.db2.gz JMLZGGXNUALAHV-HIFRSBDPSA-N 1 0 314.433 3.601 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684512 337250177 /nfs/dbraw/zinc/25/01/77/337250177.db2.gz JMLZGGXNUALAHV-UKRRQHHQSA-N 1 0 314.433 3.601 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248180814 337562864 /nfs/dbraw/zinc/56/28/64/337562864.db2.gz WJUZOHCMDPTQOD-WNRNVDISSA-N 1 0 302.462 3.607 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1COc2ccccc21 ZINC000248481849 337565439 /nfs/dbraw/zinc/56/54/39/337565439.db2.gz BMQRSHYFOAQEBT-HWWQOWPSSA-N 1 0 301.361 3.747 20 10 DHCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(Cl)ccc2O)OC)c1 ZINC000527737439 337758823 /nfs/dbraw/zinc/75/88/23/337758823.db2.gz NPVGKRVLHJDXHK-QGZVFWFLSA-N 1 0 321.804 3.532 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c(O)c1 ZINC000527952705 337774064 /nfs/dbraw/zinc/77/40/64/337774064.db2.gz VFMYTIWHYIDBFC-WBVHZDCISA-N 1 0 302.462 3.758 20 10 DHCDRO CC[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(C(F)(F)F)cc1O ZINC000527983599 337777698 /nfs/dbraw/zinc/77/76/98/337777698.db2.gz WSCPOAVGZRMLEY-VROQLPPWSA-N 1 0 315.335 3.631 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1O ZINC000237424187 341213705 /nfs/dbraw/zinc/21/37/05/341213705.db2.gz KNGZRRQLZYRFQT-HNNXBMFYSA-N 1 0 303.789 3.831 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CC2 ZINC000295853384 341715433 /nfs/dbraw/zinc/71/54/33/341715433.db2.gz GDIQIPRQKNATBF-LJQANCHMSA-N 1 0 322.452 3.634 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295923592 341715576 /nfs/dbraw/zinc/71/55/76/341715576.db2.gz JXKLWUGUKSRILG-WBMJQRKESA-N 1 0 313.397 3.748 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000179951559 521337357 /nfs/dbraw/zinc/33/73/57/521337357.db2.gz ISGDWMHXFGXZHE-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000179951147 521337500 /nfs/dbraw/zinc/33/75/00/521337500.db2.gz KPYUYFDOUAJBJW-LBPRGKRZSA-N 1 0 303.324 3.565 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccccc1O ZINC000365160153 522727123 /nfs/dbraw/zinc/72/71/23/522727123.db2.gz WMXJGTBOZQFDQY-QSFXBCCZSA-N 1 0 311.425 3.729 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000182530138 522748570 /nfs/dbraw/zinc/74/85/70/522748570.db2.gz SZSCGEXPHKSAAV-AWEZNQCLSA-N 1 0 309.793 3.733 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268982723 522852359 /nfs/dbraw/zinc/85/23/59/522852359.db2.gz DOJOBVJHEUSRMV-IAGOWNOFSA-N 1 0 304.459 3.588 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161980963 522931661 /nfs/dbraw/zinc/93/16/61/522931661.db2.gz WJUZOHCMDPTQOD-MLHJIOFPSA-N 1 0 302.462 3.607 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000151077122 524046437 /nfs/dbraw/zinc/04/64/37/524046437.db2.gz AOYYRJDKQMRKPF-HNNXBMFYSA-N 1 0 314.429 3.529 20 10 DHCDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCCC2)cc1 ZINC000164414875 525316333 /nfs/dbraw/zinc/31/63/33/525316333.db2.gz SFNILGWPEYFTOL-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@H]1OCCc2sccc21 ZINC000366475033 525427673 /nfs/dbraw/zinc/42/76/73/525427673.db2.gz OYYCCEHOUNOSQG-MGPLVRAMSA-N 1 0 323.845 3.899 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130224235 525444708 /nfs/dbraw/zinc/44/47/08/525444708.db2.gz SOSQABBZBMOQDD-ZDUSSCGKSA-N 1 0 315.486 3.939 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N2CCCCC2)cc1 ZINC000188015412 525679203 /nfs/dbraw/zinc/67/92/03/525679203.db2.gz PWXJXHUSGOYFQO-POAQFYNOSA-N 1 0 316.489 3.879 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127478297 526340942 /nfs/dbraw/zinc/34/09/42/526340942.db2.gz WYLKWZUBPGNXDQ-AWEZNQCLSA-N 1 0 321.218 3.820 20 10 DHCDRO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287687704 535898076 /nfs/dbraw/zinc/89/80/76/535898076.db2.gz MZGGGEMSDXYZMT-HNNXBMFYSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H](O)c1c(F)cccc1F ZINC000272881231 535943194 /nfs/dbraw/zinc/94/31/94/535943194.db2.gz QNYWVCHVPKHJEL-DJCROIMJSA-N 1 0 321.367 3.833 20 10 DHCDRO COCC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421314 536817780 /nfs/dbraw/zinc/81/77/80/536817780.db2.gz JIWYFCCHXKOVAE-CJNGLKHVSA-N 1 0 319.401 3.731 20 10 DHCDRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551020 563961618 /nfs/dbraw/zinc/96/16/18/563961618.db2.gz RZKWWJMJEZAOEP-CQSZACIVSA-N 1 0 306.425 3.646 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCOC(F)(F)F)C2CC2)cc1 ZINC001167107908 1013147684 /nfs/dbraw/zinc/14/76/84/1013147684.db2.gz KNUQWKZXRVBZCH-UHFFFAOYSA-N 1 0 316.367 3.644 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccccc1O ZINC000155118001 1013220831 /nfs/dbraw/zinc/22/08/31/1013220831.db2.gz VTVAKKHBDFWJJG-SFHVURJKSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cl)cc2F)c1O ZINC000894497065 1013390195 /nfs/dbraw/zinc/39/01/95/1013390195.db2.gz ZOIFLRAKQGPNDI-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCCC(F)(F)F)c1O ZINC000894563736 1013416602 /nfs/dbraw/zinc/41/66/02/1013416602.db2.gz VQBUQNGGGCQJMZ-NSHDSACASA-N 1 0 305.340 3.920 20 10 DHCDRO COc1ccccc1CC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000729463645 1013440143 /nfs/dbraw/zinc/44/01/43/1013440143.db2.gz NZTDVPQJNRSPDZ-UHFFFAOYSA-N 1 0 322.408 3.624 20 10 DHCDRO CC[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)CC(F)(F)F ZINC000894991625 1013765613 /nfs/dbraw/zinc/76/56/13/1013765613.db2.gz HSTMBZRDEGKRQQ-LLVKDONJSA-N 1 0 305.340 3.777 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCCc2cccnc2)c1O ZINC000894983461 1013766370 /nfs/dbraw/zinc/76/63/70/1013766370.db2.gz RAVAQLRAJLNLEK-HNNXBMFYSA-N 1 0 314.429 3.605 20 10 DHCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286847 1014207311 /nfs/dbraw/zinc/20/73/11/1014207311.db2.gz AEMLTBIIOCQZMZ-AWEZNQCLSA-N 1 0 300.471 3.851 20 10 DHCDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000728301189 1014233921 /nfs/dbraw/zinc/23/39/21/1014233921.db2.gz KYLVIECUPKYJEC-AZUAARDMSA-N 1 0 316.489 3.972 20 10 DHCDRO CC(C)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167431007 1014296035 /nfs/dbraw/zinc/29/60/35/1014296035.db2.gz BCPPMZBYPGCPAU-UHFFFAOYSA-N 1 0 324.472 3.569 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000760041663 1014361559 /nfs/dbraw/zinc/36/15/59/1014361559.db2.gz PQMXSXIVUPQYKX-SFHVURJKSA-N 1 0 300.446 3.586 20 10 DHCDRO COCCOCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000322392640 1032094387 /nfs/dbraw/zinc/09/43/87/1032094387.db2.gz MUSIKKUNBSGGIF-HNNXBMFYSA-N 1 0 317.429 3.639 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c[nH]nc2c1 ZINC000156838264 1014589566 /nfs/dbraw/zinc/58/95/66/1014589566.db2.gz KBYZBFPSIPGZHB-UHFFFAOYSA-N 1 0 308.429 3.651 20 10 DHCDRO C[C@@H]([NH2+]CCc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000846861340 1032098136 /nfs/dbraw/zinc/09/81/36/1032098136.db2.gz PTLXRRXTCVPENX-CQSZACIVSA-N 1 0 309.413 3.787 20 10 DHCDRO CC[C@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738082449 1015184912 /nfs/dbraw/zinc/18/49/12/1015184912.db2.gz ABUXXITZQSHARS-ZDUSSCGKSA-N 1 0 315.413 3.628 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226130 1015510177 /nfs/dbraw/zinc/51/01/77/1015510177.db2.gz BFBLAVFMOJTROY-ZDUSSCGKSA-N 1 0 303.299 3.567 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)cc1 ZINC000163195520 1015661555 /nfs/dbraw/zinc/66/15/55/1015661555.db2.gz FEDXMBXCUBNAAD-UZLBHIALSA-N 1 0 312.457 3.835 20 10 DHCDRO CC(C)C[N@H+](Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000896661870 1015701143 /nfs/dbraw/zinc/70/11/43/1015701143.db2.gz YVCZLOJEUSRFOL-UHFFFAOYSA-N 1 0 306.356 3.724 20 10 DHCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000277046372 1015858257 /nfs/dbraw/zinc/85/82/57/1015858257.db2.gz CFNJHQNMRKELCP-MRXNPFEDSA-N 1 0 302.462 3.724 20 10 DHCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234233 1016090969 /nfs/dbraw/zinc/09/09/69/1016090969.db2.gz MPBFERVZEQOQAA-XQQFMLRXSA-N 1 0 302.422 3.744 20 10 DHCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185034256 1016524680 /nfs/dbraw/zinc/52/46/80/1016524680.db2.gz FNUKFEGWKZASNT-GJZGRUSLSA-N 1 0 308.441 3.694 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2c(F)cccc2F)c1 ZINC000185067718 1016531472 /nfs/dbraw/zinc/53/14/72/1016531472.db2.gz SUUOLVUPWHFPGZ-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000108880033 1016635546 /nfs/dbraw/zinc/63/55/46/1016635546.db2.gz WDAMZEXWUMRVPX-GFCCVEGCSA-N 1 0 303.789 3.702 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000185165259 1016689818 /nfs/dbraw/zinc/68/98/18/1016689818.db2.gz JUKKRLBNGGNBJT-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185186509 1016717455 /nfs/dbraw/zinc/71/74/55/1016717455.db2.gz BHTRHLXOCAFTNQ-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1F ZINC000185333122 1016863718 /nfs/dbraw/zinc/86/37/18/1016863718.db2.gz DBAUUJKEXUGVGJ-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO CC[C@H](C[NH2+][C@H](CC)c1cc(Br)ccc1O)OC ZINC000386591513 1016878186 /nfs/dbraw/zinc/87/81/86/1016878186.db2.gz JMDIKYQWYSCQST-DGCLKSJQSA-N 1 0 316.239 3.620 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000185515828 1016961198 /nfs/dbraw/zinc/96/11/98/1016961198.db2.gz JROIELUUWDSXIO-ZDUSSCGKSA-N 1 0 315.388 3.922 20 10 DHCDRO CCOc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccc1OC ZINC000114505473 1016992921 /nfs/dbraw/zinc/99/29/21/1016992921.db2.gz ULLCUYTVQXNUTM-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000192785193 1017058086 /nfs/dbraw/zinc/05/80/86/1017058086.db2.gz WJBJYXLXJNNDCU-ZIAGYGMSSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294978569 1032234080 /nfs/dbraw/zinc/23/40/80/1032234080.db2.gz LSFXEWHWLDXUTP-HZPDHXFCSA-N 1 0 304.478 3.826 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cc(F)ccc1O ZINC000185647221 1017079032 /nfs/dbraw/zinc/07/90/32/1017079032.db2.gz YJZPWJJAYKGCHE-JTQLQIEISA-N 1 0 311.303 3.539 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2ccccc2c1O ZINC000185652387 1017079260 /nfs/dbraw/zinc/07/92/60/1017079260.db2.gz AKZNWZBZBYTWRF-MAUKXSAKSA-N 1 0 321.420 3.972 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000840876586 1017257818 /nfs/dbraw/zinc/25/78/18/1017257818.db2.gz XHFXWQNHUYNJOD-OAHLLOKOSA-N 1 0 324.877 3.808 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000185682548 1017092169 /nfs/dbraw/zinc/09/21/69/1017092169.db2.gz OXIGFDDAXNAHBZ-JXFKEZNVSA-N 1 0 311.473 3.534 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000185672435 1017092380 /nfs/dbraw/zinc/09/23/80/1017092380.db2.gz LFPWNRPFOOXVEY-GRDNDAEWSA-N 1 0 314.473 3.547 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000185672381 1017092642 /nfs/dbraw/zinc/09/26/42/1017092642.db2.gz LFPWNRPFOOXVEY-KEYYUXOJSA-N 1 0 314.473 3.547 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000192848055 1017097868 /nfs/dbraw/zinc/09/78/68/1017097868.db2.gz CDCYSCUCRPWWJZ-LRDDRELGSA-N 1 0 313.401 3.685 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171349222 1032508986 /nfs/dbraw/zinc/50/89/86/1032508986.db2.gz GRIDVZARHXOMQZ-INIZCTEOSA-N 1 0 316.395 3.678 20 10 DHCDRO C[C@H]([NH2+]CCCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773003705 1032520194 /nfs/dbraw/zinc/52/01/94/1032520194.db2.gz XCSZVGPUCFOWPO-AWEZNQCLSA-N 1 0 306.425 3.503 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012147 1032526769 /nfs/dbraw/zinc/52/67/69/1032526769.db2.gz VXIYJHAJMDFLQB-MOPGFXCFSA-N 1 0 316.420 3.666 20 10 DHCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773047399 1032540035 /nfs/dbraw/zinc/54/00/35/1032540035.db2.gz PHESUPGLLNXOBL-IEZWGBDMSA-N 1 0 304.478 3.854 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000773059260 1032543572 /nfs/dbraw/zinc/54/35/72/1032543572.db2.gz MGRQDBYDRRKKFP-CYBMUJFWSA-N 1 0 319.836 3.531 20 10 DHCDRO CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773086076 1032554799 /nfs/dbraw/zinc/55/47/99/1032554799.db2.gz YCKALHCPDXYLRK-LPHOPBHVSA-N 1 0 303.494 3.666 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773113236 1032564630 /nfs/dbraw/zinc/56/46/30/1032564630.db2.gz COAKIXXOMNFOAQ-ORYQWCPZSA-N 1 0 323.484 3.849 20 10 DHCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160196530 1011993184 /nfs/dbraw/zinc/99/31/84/1011993184.db2.gz FZASETXSKSRDAU-OAHLLOKOSA-N 1 0 303.446 3.520 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1OC ZINC000160202232 1012018332 /nfs/dbraw/zinc/01/83/32/1012018332.db2.gz MHMAILGNFQVOGL-IBGZPJMESA-N 1 0 317.429 3.732 20 10 DHCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000319762442 1012266322 /nfs/dbraw/zinc/26/63/22/1012266322.db2.gz DTTSPTUDBQZJTQ-AEFFLSMTSA-N 1 0 302.462 3.582 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@H](OCC)C12CCC2 ZINC000799735553 1012538331 /nfs/dbraw/zinc/53/83/31/1012538331.db2.gz YFZBGCBAWQTBNY-ROUUACIJSA-N 1 0 302.462 3.709 20 10 DHCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037140263 1032644799 /nfs/dbraw/zinc/64/47/99/1032644799.db2.gz BQTXCMHDFITHDU-GFCCVEGCSA-N 1 0 305.805 3.862 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c1O ZINC000894325505 1012791361 /nfs/dbraw/zinc/79/13/61/1012791361.db2.gz IVRMWVZVSVAJJN-QGZVFWFLSA-N 1 0 314.429 3.634 20 10 DHCDRO COc1cccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1O ZINC000037092599 1012816614 /nfs/dbraw/zinc/81/66/14/1012816614.db2.gz DITIZXIWMSDMNH-UHFFFAOYSA-N 1 0 303.324 3.612 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000926904946 1032666569 /nfs/dbraw/zinc/66/65/69/1032666569.db2.gz KERNGYLXDZBAKP-ZOWXZIJZSA-N 1 0 317.351 3.851 20 10 DHCDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000192946258 1017230775 /nfs/dbraw/zinc/23/07/75/1017230775.db2.gz RNIVJXLUKUWFFV-CQSZACIVSA-N 1 0 309.413 3.710 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000163229390 1017279426 /nfs/dbraw/zinc/27/94/26/1017279426.db2.gz WXQRNYZIAVUYRH-VQTJNVASSA-N 1 0 312.457 3.835 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857854074 1032689921 /nfs/dbraw/zinc/68/99/21/1032689921.db2.gz IPCREHNVGWLDIJ-LJQANCHMSA-N 1 0 324.472 3.813 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)cc1F ZINC001168069447 1017393727 /nfs/dbraw/zinc/39/37/27/1017393727.db2.gz WVNMUAGKKYUFBF-CVEARBPZSA-N 1 0 320.452 3.783 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840906286 1017445243 /nfs/dbraw/zinc/44/52/43/1017445243.db2.gz XDIDLHLXOSDGLD-UHFFFAOYSA-N 1 0 308.809 3.681 20 10 DHCDRO COc1ccc(COCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185860900 1017456828 /nfs/dbraw/zinc/45/68/28/1017456828.db2.gz FDADTAPXGYCEQZ-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000840941612 1017522222 /nfs/dbraw/zinc/52/22/22/1017522222.db2.gz DJPIJDJQXWBBMN-CYBMUJFWSA-N 1 0 300.368 3.835 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c(O)c1 ZINC000186149173 1017959026 /nfs/dbraw/zinc/95/90/26/1017959026.db2.gz YHGMRMDLXUUGMS-AWEZNQCLSA-N 1 0 323.396 3.644 20 10 DHCDRO Oc1ccccc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000123737828 1018109400 /nfs/dbraw/zinc/10/94/00/1018109400.db2.gz NHZUFYKYBOECAC-UHFFFAOYSA-N 1 0 318.214 3.934 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764431185 1018281420 /nfs/dbraw/zinc/28/14/20/1018281420.db2.gz BTRWGHYASHJULN-VKJFTORMSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000278177913 1018286914 /nfs/dbraw/zinc/28/69/14/1018286914.db2.gz BIHXILNXAFEUFL-OAHLLOKOSA-N 1 0 309.457 3.877 20 10 DHCDRO CCN(CC)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764541458 1018310987 /nfs/dbraw/zinc/31/09/87/1018310987.db2.gz MNQIXNDOYLHYHQ-KRWDZBQOSA-N 1 0 303.494 3.669 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000765082331 1018470977 /nfs/dbraw/zinc/47/09/77/1018470977.db2.gz URIUAIPQSXGCQA-OAHLLOKOSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)C ZINC000765128619 1018485034 /nfs/dbraw/zinc/48/50/34/1018485034.db2.gz WRDWIUPUJYCMJQ-ZNMIVQPWSA-N 1 0 322.468 3.964 20 10 DHCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000858133383 1032778144 /nfs/dbraw/zinc/77/81/44/1032778144.db2.gz UQDAQQALKHIIAC-INIZCTEOSA-N 1 0 321.484 3.634 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765278213 1018743163 /nfs/dbraw/zinc/74/31/63/1018743163.db2.gz BTTNKZWMIJHVHJ-RDJZCZTQSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765332917 1018759619 /nfs/dbraw/zinc/75/96/19/1018759619.db2.gz DNQKPHBDASAGCQ-VYDXJSESSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765403330 1018777569 /nfs/dbraw/zinc/77/75/69/1018777569.db2.gz NANFYVHFIGAQFO-OAQYLSRUSA-N 1 0 323.484 3.809 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765423948 1018780359 /nfs/dbraw/zinc/78/03/59/1018780359.db2.gz KIKZRBIUUJRMNN-WFASDCNBSA-N 1 0 318.383 3.761 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1 ZINC000765423297 1018780974 /nfs/dbraw/zinc/78/09/74/1018780974.db2.gz GLRNLSWPBKRWFW-CHWSQXEVSA-N 1 0 318.383 3.761 20 10 DHCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765438342 1018787542 /nfs/dbraw/zinc/78/75/42/1018787542.db2.gz IBNVFHMHEYXEJX-IRXDYDNUSA-N 1 0 324.472 3.749 20 10 DHCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765473825 1018805155 /nfs/dbraw/zinc/80/51/55/1018805155.db2.gz JRQWUQFVTRIIMC-LPHOPBHVSA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1O ZINC000186474076 1018826670 /nfs/dbraw/zinc/82/66/70/1018826670.db2.gz RQZNGXXHZLBOSO-MRXNPFEDSA-N 1 0 309.413 3.562 20 10 DHCDRO c1csc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000278577561 1018864010 /nfs/dbraw/zinc/86/40/10/1018864010.db2.gz OLLSUQMVIRKZHF-HNNXBMFYSA-N 1 0 320.483 3.526 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)c(O)c1 ZINC000922946068 1018927414 /nfs/dbraw/zinc/92/74/14/1018927414.db2.gz BAJKRXVUUBPIRU-UHFFFAOYSA-N 1 0 307.340 3.667 20 10 DHCDRO c1ccc2c(c1)CCSC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607363 1018994590 /nfs/dbraw/zinc/99/45/90/1018994590.db2.gz CDIPZHCPKTXTBU-GOSISDBHSA-N 1 0 311.450 3.742 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766160754 1019036256 /nfs/dbraw/zinc/03/62/56/1019036256.db2.gz COSNNSPHCQBEJS-APWZRJJASA-N 1 0 304.478 3.999 20 10 DHCDRO CSCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134922239 1019052324 /nfs/dbraw/zinc/05/23/24/1019052324.db2.gz MWKXSEMGGCLOFZ-VIFPVBQESA-N 1 0 304.253 3.558 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000766165528 1019069912 /nfs/dbraw/zinc/06/99/12/1019069912.db2.gz AUQYZLCJKIMYQZ-JCGIZDLHSA-N 1 0 302.462 3.751 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765953763 1019088516 /nfs/dbraw/zinc/08/85/16/1019088516.db2.gz ILJRHPAHRCZOCM-YZLZLFLDSA-N 1 0 316.489 3.999 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c1 ZINC000186159283 1019100069 /nfs/dbraw/zinc/10/00/69/1019100069.db2.gz MKDYRJBNOMOCSY-DNVCBOLYSA-N 1 0 311.425 3.865 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800286134 1019131137 /nfs/dbraw/zinc/13/11/37/1019131137.db2.gz IJZJCCCEEFRMOS-HNNXBMFYSA-N 1 0 308.208 3.956 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1c(C)noc1C ZINC000921937157 1019160956 /nfs/dbraw/zinc/16/09/56/1019160956.db2.gz XOKSNQQHTUEZID-MRXNPFEDSA-N 1 0 300.402 3.857 20 10 DHCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921944356 1019180833 /nfs/dbraw/zinc/18/08/33/1019180833.db2.gz GAAZWXJLVBHYQY-SJLPKXTDSA-N 1 0 303.446 3.695 20 10 DHCDRO CCc1ncc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858294342 1032836784 /nfs/dbraw/zinc/83/67/84/1032836784.db2.gz FEQWFTYQAZXILZ-UHFFFAOYSA-N 1 0 320.440 3.736 20 10 DHCDRO COCCC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001118884020 1019627668 /nfs/dbraw/zinc/62/76/68/1019627668.db2.gz RDMMXEUEPZRAOW-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc(O)c(CNC2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC000840875969 1019637442 /nfs/dbraw/zinc/63/74/42/1019637442.db2.gz RGUDEMMVWAAURC-UHFFFAOYSA-N 1 0 310.869 3.564 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC001171729092 1032847515 /nfs/dbraw/zinc/84/75/15/1032847515.db2.gz GZDKIQWDBPTDIU-UHFFFAOYSA-N 1 0 312.457 3.880 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C ZINC000727432100 1019713287 /nfs/dbraw/zinc/71/32/87/1019713287.db2.gz ZWGJIADZDHOLNW-JXFKEZNVSA-N 1 0 311.425 3.971 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc(C)c1O ZINC000727645333 1019746101 /nfs/dbraw/zinc/74/61/01/1019746101.db2.gz WWEULJPQTQRBOZ-UHFFFAOYSA-N 1 0 310.441 3.681 20 10 DHCDRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000139972072 1019881204 /nfs/dbraw/zinc/88/12/04/1019881204.db2.gz WBVCDKZIODDTQG-KRWDZBQOSA-N 1 0 313.372 3.764 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC000922473717 1020091971 /nfs/dbraw/zinc/09/19/71/1020091971.db2.gz UGNNQFQLDOBWLL-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000176985220 1020155781 /nfs/dbraw/zinc/15/57/81/1020155781.db2.gz XLNNGUGNSPCUNI-OLZOCXBDSA-N 1 0 303.377 3.909 20 10 DHCDRO CC(C)c1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731846110 1020158046 /nfs/dbraw/zinc/15/80/46/1020158046.db2.gz RYTFCOVXYWFCDI-UHFFFAOYSA-N 1 0 315.417 3.843 20 10 DHCDRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765993032 1020163214 /nfs/dbraw/zinc/16/32/14/1020163214.db2.gz KPEPFHANNYERKX-SUMWQHHRSA-N 1 0 322.880 3.788 20 10 DHCDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1=CC(=O)CS1 ZINC000731868909 1020167543 /nfs/dbraw/zinc/16/75/43/1020167543.db2.gz DKKLVSKOQJIMMP-UHFFFAOYSA-N 1 0 316.426 3.692 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000765781713 1020193520 /nfs/dbraw/zinc/19/35/20/1020193520.db2.gz PJGRUDSEWDSRNV-FUHWJXTLSA-N 1 0 313.489 3.564 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922681742 1020204453 /nfs/dbraw/zinc/20/44/53/1020204453.db2.gz SHHRWPRMFTTYSR-ZANVPECISA-N 1 0 323.742 3.635 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676900 1020209724 /nfs/dbraw/zinc/20/97/24/1020209724.db2.gz DBQLCWNQDWQPSR-WCQYABFASA-N 1 0 323.742 3.635 20 10 DHCDRO CC(C)c1ccccc1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000732232162 1020214409 /nfs/dbraw/zinc/21/44/09/1020214409.db2.gz DDRGWFCXIROSLB-UHFFFAOYSA-N 1 0 311.425 3.914 20 10 DHCDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000186569486 1020230687 /nfs/dbraw/zinc/23/06/87/1020230687.db2.gz AAXQVBQEAIEZGV-TZMCWYRMSA-N 1 0 303.475 3.972 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)C2CCCC2)cc1 ZINC000765802052 1020253659 /nfs/dbraw/zinc/25/36/59/1020253659.db2.gz RRFDWHMMHHJDHI-INIZCTEOSA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000765806753 1020282358 /nfs/dbraw/zinc/28/23/58/1020282358.db2.gz ZPIDFOYHYHIFTB-CHWSQXEVSA-N 1 0 314.520 3.807 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000732818058 1020288362 /nfs/dbraw/zinc/28/83/62/1020288362.db2.gz RHTSGYAOGHHXLP-IBGZPJMESA-N 1 0 306.494 3.810 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCS1 ZINC000922842498 1020298967 /nfs/dbraw/zinc/29/89/67/1020298967.db2.gz MLKNNBXHAQTEPW-BXKDBHETSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000766008187 1020359836 /nfs/dbraw/zinc/35/98/36/1020359836.db2.gz QSJQZGBPZQQLJE-JKSUJKDBSA-N 1 0 304.478 3.856 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)c(O)c1OC ZINC000892445887 1020364129 /nfs/dbraw/zinc/36/41/29/1020364129.db2.gz CAXMENLASHNYRI-AWEZNQCLSA-N 1 0 315.413 3.520 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC(F)F ZINC000733322209 1020369468 /nfs/dbraw/zinc/36/94/68/1020369468.db2.gz COHYQEVJBFPTNQ-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733324722 1020372534 /nfs/dbraw/zinc/37/25/34/1020372534.db2.gz WLXGWXUQHXMDAR-UHFFFAOYSA-N 1 0 318.804 3.684 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(C)c3)c2c1 ZINC000733326507 1020374818 /nfs/dbraw/zinc/37/48/18/1020374818.db2.gz HHEPWNRZJNPGIX-UHFFFAOYSA-N 1 0 324.424 3.826 20 10 DHCDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613325 1020418656 /nfs/dbraw/zinc/41/86/56/1020418656.db2.gz MVLXSDOCCRZJGX-UHFFFAOYSA-N 1 0 319.445 3.869 20 10 DHCDRO CCOc1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000785448159 1020432531 /nfs/dbraw/zinc/43/25/31/1020432531.db2.gz LTZSJVLYCZSRFX-UHFFFAOYSA-N 1 0 317.816 3.963 20 10 DHCDRO CCC(CC)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765848127 1020491289 /nfs/dbraw/zinc/49/12/89/1020491289.db2.gz FQXGMYFVEABKCW-AWEZNQCLSA-N 1 0 308.441 3.749 20 10 DHCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378905404 1020523427 /nfs/dbraw/zinc/52/34/27/1020523427.db2.gz YVVVYSIVPUPEAA-IEBWSBKVSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1csc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000379274321 1020549721 /nfs/dbraw/zinc/54/97/21/1020549721.db2.gz NSXXIWRLRZDKSO-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000735087087 1020690622 /nfs/dbraw/zinc/69/06/22/1020690622.db2.gz WIAYITYTVDUUBP-UHFFFAOYSA-N 1 0 316.470 3.610 20 10 DHCDRO CC[C@@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738082446 1020859558 /nfs/dbraw/zinc/85/95/58/1020859558.db2.gz ABUXXITZQSHARS-CYBMUJFWSA-N 1 0 315.413 3.628 20 10 DHCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740005821 1020923879 /nfs/dbraw/zinc/92/38/79/1020923879.db2.gz GYSHDWGDEFNHML-KSSFIOAISA-N 1 0 310.457 3.559 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000178118280 1020945936 /nfs/dbraw/zinc/94/59/36/1020945936.db2.gz ZBUJIDHSLCKUMD-QGZVFWFLSA-N 1 0 312.413 3.722 20 10 DHCDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000742378120 1021115383 /nfs/dbraw/zinc/11/53/83/1021115383.db2.gz BROGUAMFFIFFAR-HNNXBMFYSA-N 1 0 316.420 3.757 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cc(Br)ccc1O ZINC000311096359 1021212992 /nfs/dbraw/zinc/21/29/92/1021212992.db2.gz SGHATIXTWZCLAS-ZWNOBZJWSA-N 1 0 316.239 3.620 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC001202388211 1021221501 /nfs/dbraw/zinc/22/15/01/1021221501.db2.gz QVNIPIPQIUKDBH-GOSISDBHSA-N 1 0 320.452 3.721 20 10 DHCDRO CCN(CCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000917393358 1021248517 /nfs/dbraw/zinc/24/85/17/1021248517.db2.gz CIDORCXGCIMFJY-UHFFFAOYSA-N 1 0 310.441 3.628 20 10 DHCDRO C[C@@H]1C[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H](C)O1 ZINC000917414809 1021257812 /nfs/dbraw/zinc/25/78/12/1021257812.db2.gz NHZAYAKIEUWCNL-CHWSQXEVSA-N 1 0 315.413 3.626 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)c(O)c1OC ZINC000892669024 1021258470 /nfs/dbraw/zinc/25/84/70/1021258470.db2.gz OLIXRVJDZCBHCT-LLVKDONJSA-N 1 0 307.415 3.630 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428771 1021266051 /nfs/dbraw/zinc/26/60/51/1021266051.db2.gz XKNSMJPPPRAJBV-STQMWFEESA-N 1 0 315.413 3.626 20 10 DHCDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000917454805 1021270940 /nfs/dbraw/zinc/27/09/40/1021270940.db2.gz MUXHSDPYVAPCMX-AWEZNQCLSA-N 1 0 313.397 3.922 20 10 DHCDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000069628654 1021276197 /nfs/dbraw/zinc/27/61/97/1021276197.db2.gz BENWVKLCHSWNGF-IUODEOHRSA-N 1 0 302.393 3.898 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(C3CCCC3)CC1)OCO2 ZINC000743376938 1021284375 /nfs/dbraw/zinc/28/43/75/1021284375.db2.gz JFOAMFBFQAEKKE-UHFFFAOYSA-N 1 0 303.402 3.523 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000154582497 1021407034 /nfs/dbraw/zinc/40/70/34/1021407034.db2.gz OHKUOOBENCUSEF-SFHVURJKSA-N 1 0 304.478 3.517 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000850138090 1021426190 /nfs/dbraw/zinc/42/61/90/1021426190.db2.gz ZSEXPRLZXDWCQA-UHFFFAOYSA-N 1 0 311.454 3.961 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234811 1021449076 /nfs/dbraw/zinc/44/90/76/1021449076.db2.gz LZDCZFQAEBLJEA-UONOGXRCSA-N 1 0 321.461 3.603 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926965819 1032980999 /nfs/dbraw/zinc/98/09/99/1032980999.db2.gz XVOHLFQUUBKAKR-GXTWGEPZSA-N 1 0 318.383 3.542 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850325807 1021474855 /nfs/dbraw/zinc/47/48/55/1021474855.db2.gz OTLQEUGYEDESID-MJBXVCDLSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cs3)C2)cc1 ZINC000850347103 1021480438 /nfs/dbraw/zinc/48/04/38/1021480438.db2.gz NKYOLONKKQZJSF-CYBMUJFWSA-N 1 0 322.861 3.779 20 10 DHCDRO COC1CC(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850342316 1021481278 /nfs/dbraw/zinc/48/12/78/1021481278.db2.gz GIQLQMUIDVRLCE-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000850347448 1021481564 /nfs/dbraw/zinc/48/15/64/1021481564.db2.gz SEDVFPIWEASLNX-MRXNPFEDSA-N 1 0 300.446 3.586 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355022 1021483443 /nfs/dbraw/zinc/48/34/43/1021483443.db2.gz BDAKDJBMJUQPCL-HNNXBMFYSA-N 1 0 317.351 3.680 20 10 DHCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000850379212 1021498432 /nfs/dbraw/zinc/49/84/32/1021498432.db2.gz HXAPDXSZTLODLS-LPHOPBHVSA-N 1 0 302.462 3.724 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2cn(C)c3ccccc23)c(O)c1 ZINC000850380194 1021499091 /nfs/dbraw/zinc/49/90/91/1021499091.db2.gz PQYLLAKQHBNGSZ-UHFFFAOYSA-N 1 0 324.424 3.615 20 10 DHCDRO CCOc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c(O)c1 ZINC000850391179 1021504471 /nfs/dbraw/zinc/50/44/71/1021504471.db2.gz HOGMKLNWDUNVEA-UHFFFAOYSA-N 1 0 311.372 3.849 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccoc2)c1O ZINC000850531806 1021585613 /nfs/dbraw/zinc/58/56/13/1021585613.db2.gz OAMPMIIHYSYEOD-LLVKDONJSA-N 1 0 324.218 3.949 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3ccsc3)C2)cc1 ZINC000850486264 1021559306 /nfs/dbraw/zinc/55/93/06/1021559306.db2.gz BLKQRXRONLGOLM-ZBFHGGJFSA-N 1 0 316.470 3.556 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3CCCF)C2)cc1 ZINC000850489570 1021560251 /nfs/dbraw/zinc/56/02/51/1021560251.db2.gz YPHCURVPPNKPQO-BXWFABGCSA-N 1 0 320.452 3.782 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)s3)C2)cc1 ZINC000850488223 1021561158 /nfs/dbraw/zinc/56/11/58/1021561158.db2.gz LYBVWGQUYXZZNW-HUUCEWRRSA-N 1 0 316.470 3.995 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c(O)c1 ZINC000850500397 1021564271 /nfs/dbraw/zinc/56/42/71/1021564271.db2.gz GQWRBIZTZFLSMM-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511036 1021569337 /nfs/dbraw/zinc/56/93/37/1021569337.db2.gz YRHGHSCRCBNEHY-KGLIPLIRSA-N 1 0 306.837 3.546 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1cccc(OC)c1 ZINC000850513619 1021570036 /nfs/dbraw/zinc/57/00/36/1021570036.db2.gz HRBZVISILCSSPS-KBXCAEBGSA-N 1 0 315.413 3.748 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000850514317 1021571471 /nfs/dbraw/zinc/57/14/71/1021571471.db2.gz DTEUWRJUWILVQP-IRXDYDNUSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850515487 1021573478 /nfs/dbraw/zinc/57/34/78/1021573478.db2.gz LOQLAXAAQGLZNB-MFKMUULPSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850521544 1021574515 /nfs/dbraw/zinc/57/45/15/1021574515.db2.gz WEDCXNHKQUAVHQ-DGCLKSJQSA-N 1 0 305.752 3.511 20 10 DHCDRO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850521547 1021575117 /nfs/dbraw/zinc/57/51/17/1021575117.db2.gz WEDCXNHKQUAVHQ-YPMHNXCESA-N 1 0 305.752 3.511 20 10 DHCDRO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850521542 1021575769 /nfs/dbraw/zinc/57/57/69/1021575769.db2.gz WEDCXNHKQUAVHQ-AAEUAGOBSA-N 1 0 305.752 3.511 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850533717 1021588526 /nfs/dbraw/zinc/58/85/26/1021588526.db2.gz BMTAUBOCQZQMJS-SFHVURJKSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850535776 1021591226 /nfs/dbraw/zinc/59/12/26/1021591226.db2.gz BIXGBPMSXIFOFW-PELKAZGASA-N 1 0 320.177 3.851 20 10 DHCDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554927 1021602539 /nfs/dbraw/zinc/60/25/39/1021602539.db2.gz HWDDJBCBYMBOGR-SCLBCKFNSA-N 1 0 306.425 3.502 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850557934 1021603766 /nfs/dbraw/zinc/60/37/66/1021603766.db2.gz ONAGEMLHCSHBDG-KUHUBIRLSA-N 1 0 320.452 3.748 20 10 DHCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565845 1021609453 /nfs/dbraw/zinc/60/94/53/1021609453.db2.gz IGWACHGDJJUIBC-SJLPKXTDSA-N 1 0 318.505 3.952 20 10 DHCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567547 1021611058 /nfs/dbraw/zinc/61/10/58/1021611058.db2.gz FLUBLCATQRAWMU-FXAWDEMLSA-N 1 0 316.489 3.706 20 10 DHCDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567224 1021611456 /nfs/dbraw/zinc/61/14/56/1021611456.db2.gz YLSZJUKZAHGGFG-QGZVFWFLSA-N 1 0 304.478 3.706 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2O ZINC000850569745 1021612688 /nfs/dbraw/zinc/61/26/88/1021612688.db2.gz ALEHUIDVSZDSPZ-MWLCHTKSSA-N 1 0 313.463 3.865 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569990 1021613067 /nfs/dbraw/zinc/61/30/67/1021613067.db2.gz PGEQKLFSSJFPHC-SNVBAGLBSA-N 1 0 311.303 3.984 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850572498 1021614993 /nfs/dbraw/zinc/61/49/93/1021614993.db2.gz KUGMCZUMHSPECB-FHSNZYRGSA-N 1 0 319.832 3.861 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000850572786 1021615229 /nfs/dbraw/zinc/61/52/29/1021615229.db2.gz GMBYUSXZCHVELQ-QSFXBCCZSA-N 1 0 313.441 3.906 20 10 DHCDRO CC(C)OCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000728688776 1021617514 /nfs/dbraw/zinc/61/75/14/1021617514.db2.gz VTWBWTGSCHZCNZ-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1C(F)F ZINC000892792969 1021620107 /nfs/dbraw/zinc/62/01/07/1021620107.db2.gz JTCDUBCLCRJJMI-UHFFFAOYSA-N 1 0 307.315 3.988 20 10 DHCDRO CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000850585465 1021625105 /nfs/dbraw/zinc/62/51/05/1021625105.db2.gz WXWDKMKELQPKPQ-GOSISDBHSA-N 1 0 320.452 3.694 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCCCC2)cc1 ZINC000178309807 1021626531 /nfs/dbraw/zinc/62/65/31/1021626531.db2.gz ANTMTNGGRQEDPJ-PIKADFDJSA-N 1 0 300.446 3.647 20 10 DHCDRO CCCSC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000892812316 1021633300 /nfs/dbraw/zinc/63/33/00/1021633300.db2.gz LCLPNFBBLSGDDW-HNNXBMFYSA-N 1 0 322.518 3.785 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000182434882 1021652729 /nfs/dbraw/zinc/65/27/29/1021652729.db2.gz OFQJAFFBERQJLM-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000154821380 1021655756 /nfs/dbraw/zinc/65/57/56/1021655756.db2.gz UKVXKGRSDOKNIC-PKOBYXMFSA-N 1 0 312.457 3.606 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000379646478 1021656568 /nfs/dbraw/zinc/65/65/68/1021656568.db2.gz JEYVYTQYAOOPBX-VQIMIIECSA-N 1 0 310.441 3.535 20 10 DHCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000763531134 1021685906 /nfs/dbraw/zinc/68/59/06/1021685906.db2.gz OAFPVPCOBZSOER-HKUYNNGSSA-N 1 0 316.489 3.970 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CC(C)C)N(C)C)cc1 ZINC000314089366 1021707791 /nfs/dbraw/zinc/70/77/91/1021707791.db2.gz XDWUTVKVPAIZBA-IBGZPJMESA-N 1 0 305.510 3.599 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnc(Cl)c1 ZINC000122454959 1021715702 /nfs/dbraw/zinc/71/57/02/1021715702.db2.gz BQJKYHQQPWKNBL-LLVKDONJSA-N 1 0 307.800 3.791 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](CC)c1ccccc1O)CC(C)C ZINC000155021710 1021819036 /nfs/dbraw/zinc/81/90/36/1021819036.db2.gz OEDCIXGOROQAOA-GDBMZVCRSA-N 1 0 322.449 3.594 20 10 DHCDRO C[N@H+](CCc1ccc(F)cc1)Cc1c(O)ccc2ccncc21 ZINC000919948493 1021983491 /nfs/dbraw/zinc/98/34/91/1021983491.db2.gz MFJULRNCAVZIPL-UHFFFAOYSA-N 1 0 310.372 3.754 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCCO1 ZINC000070975727 1021994880 /nfs/dbraw/zinc/99/48/80/1021994880.db2.gz KAXMRJYRLQCRHG-MRXNPFEDSA-N 1 0 301.386 3.557 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000155181798 1022042297 /nfs/dbraw/zinc/04/22/97/1022042297.db2.gz ZPEXTWGBODLBNF-UHFFFAOYSA-N 1 0 320.440 3.775 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000852554988 1022139690 /nfs/dbraw/zinc/13/96/90/1022139690.db2.gz HAVUWZDPSDBKGH-LJQANCHMSA-N 1 0 302.462 3.580 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000852595726 1022147552 /nfs/dbraw/zinc/14/75/52/1022147552.db2.gz UMGZTKYVIPFKLD-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000183517128 1022169654 /nfs/dbraw/zinc/16/96/54/1022169654.db2.gz UQLPIBURRHGGGK-GOEBONIOSA-N 1 0 314.404 3.851 20 10 DHCDRO O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000852793669 1022179054 /nfs/dbraw/zinc/17/90/54/1022179054.db2.gz FIMZXPBDMSYFOE-UHFFFAOYSA-N 1 0 321.424 3.532 20 10 DHCDRO CCCCc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852852196 1022183766 /nfs/dbraw/zinc/18/37/66/1022183766.db2.gz QGMPQFQGKNQGLM-UHFFFAOYSA-N 1 0 322.452 3.952 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000183556691 1022189704 /nfs/dbraw/zinc/18/97/04/1022189704.db2.gz VNHAMSFLYVFHOV-LRDDRELGSA-N 1 0 313.422 3.991 20 10 DHCDRO COc1cccc(OCCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183610568 1022209047 /nfs/dbraw/zinc/20/90/47/1022209047.db2.gz WYECGBXUNAHYIF-CQSZACIVSA-N 1 0 301.386 3.521 20 10 DHCDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183633036 1022217823 /nfs/dbraw/zinc/21/78/23/1022217823.db2.gz VEEMCNKRFAMQFF-HUUCEWRRSA-N 1 0 315.413 3.767 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000853092692 1022218713 /nfs/dbraw/zinc/21/87/13/1022218713.db2.gz IXBBBJSOTVFYOT-HNNXBMFYSA-N 1 0 322.880 3.566 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853594414 1022297395 /nfs/dbraw/zinc/29/73/95/1022297395.db2.gz QLYPXAJYFSJKPO-QGZVFWFLSA-N 1 0 320.392 3.594 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852135 1022338142 /nfs/dbraw/zinc/33/81/42/1022338142.db2.gz JIPIOCXGEAONSD-QRWLVFNGSA-N 1 0 321.424 3.874 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3nc(C)sc32)c1 ZINC000363868239 1022358696 /nfs/dbraw/zinc/35/86/96/1022358696.db2.gz MYXUVDWLQBQXDL-IINYFYTJSA-N 1 0 318.442 3.894 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3nc(C)sc32)c1 ZINC000363868238 1022359897 /nfs/dbraw/zinc/35/98/97/1022359897.db2.gz MYXUVDWLQBQXDL-HZMBPMFUSA-N 1 0 318.442 3.894 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(F)ccc1O ZINC000363882985 1022377156 /nfs/dbraw/zinc/37/71/56/1022377156.db2.gz GCHLWDCFELLIBQ-MEBBXXQBSA-N 1 0 305.324 3.845 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000184857700 1022430555 /nfs/dbraw/zinc/43/05/55/1022430555.db2.gz BFEKAKSZIMVXLN-RISCZKNCSA-N 1 0 308.809 3.592 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854223214 1022434067 /nfs/dbraw/zinc/43/40/67/1022434067.db2.gz RFSWTDAKIXSLQL-BHIYHBOVSA-N 1 0 310.441 3.579 20 10 DHCDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185228267 1022467577 /nfs/dbraw/zinc/46/75/77/1022467577.db2.gz XVMRLGLVQARBMC-XJKSGUPXSA-N 1 0 320.408 3.858 20 10 DHCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(C)c2O)cc1OC ZINC000179605337 1022485676 /nfs/dbraw/zinc/48/56/76/1022485676.db2.gz YFDDGDYBNBAIPK-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cc(F)ccc1O ZINC000185490168 1022494903 /nfs/dbraw/zinc/49/49/03/1022494903.db2.gz FYXPAXQBSUTVGK-JTQLQIEISA-N 1 0 312.435 3.821 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000179688727 1022508593 /nfs/dbraw/zinc/50/85/93/1022508593.db2.gz DTECSZZQQFKMME-QGZVFWFLSA-N 1 0 301.361 3.877 20 10 DHCDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000767417069 1022705947 /nfs/dbraw/zinc/70/59/47/1022705947.db2.gz GQQZXWMVWUOCGT-UHFFFAOYSA-N 1 0 320.820 3.908 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1 ZINC000180641222 1022775798 /nfs/dbraw/zinc/77/57/98/1022775798.db2.gz ORZKNVUFCMEOEJ-UHFFFAOYSA-N 1 0 315.413 3.820 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756532646 1022811904 /nfs/dbraw/zinc/81/19/04/1022811904.db2.gz CTYUVSRFXJSSJB-HNNXBMFYSA-N 1 0 314.429 3.880 20 10 DHCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1C ZINC000756533710 1022812750 /nfs/dbraw/zinc/81/27/50/1022812750.db2.gz HDSFZRCCNDGHIL-JTQLQIEISA-N 1 0 307.825 3.730 20 10 DHCDRO c1oc2ccccc2c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000114509012 1022841350 /nfs/dbraw/zinc/84/13/50/1022841350.db2.gz DVGUBVMSVDMDCW-UHFFFAOYSA-N 1 0 322.408 3.559 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1F ZINC000767927876 1022844424 /nfs/dbraw/zinc/84/44/24/1022844424.db2.gz NTLZMAGWVBGMDK-INIZCTEOSA-N 1 0 320.452 3.863 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)ccc1OC ZINC000767929956 1022844867 /nfs/dbraw/zinc/84/48/67/1022844867.db2.gz UJONLTDYJKGPRO-HNNXBMFYSA-N 1 0 313.388 3.899 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000768139210 1022903398 /nfs/dbraw/zinc/90/33/98/1022903398.db2.gz XQLFRRXJXXPLSL-UHFFFAOYSA-N 1 0 320.452 3.817 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162064 1022906824 /nfs/dbraw/zinc/90/68/24/1022906824.db2.gz KGVAPDDWDAUUQL-WMZOPIPTSA-N 1 0 301.430 3.730 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C(C)C)c2)cc1 ZINC000768207309 1022915176 /nfs/dbraw/zinc/91/51/76/1022915176.db2.gz BRTSGIDJQKEWBJ-UHFFFAOYSA-N 1 0 314.477 3.942 20 10 DHCDRO COCC[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1O ZINC000768196366 1022925901 /nfs/dbraw/zinc/92/59/01/1022925901.db2.gz BUJVVFRVPZASBY-UHFFFAOYSA-N 1 0 311.834 3.756 20 10 DHCDRO COc1cc(O)c(C[N@H+](C2CC2)C2CCCCC2)cc1OC ZINC000768439925 1022965450 /nfs/dbraw/zinc/96/54/50/1022965450.db2.gz QBXLLLWWEUSNTL-UHFFFAOYSA-N 1 0 305.418 3.707 20 10 DHCDRO COc1cc(C[N@H+](C)CCOc2cccc(C)c2)c(O)cc1C ZINC000768445606 1022967025 /nfs/dbraw/zinc/96/70/25/1022967025.db2.gz ROXJFFSLGDTGTG-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)C[C@H](C)c2ccccc2)cc1OC ZINC000768452042 1022967751 /nfs/dbraw/zinc/96/77/51/1022967751.db2.gz NOHBLXXVDOMIGT-AWEZNQCLSA-N 1 0 315.413 3.645 20 10 DHCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)on1 ZINC000768439336 1022968358 /nfs/dbraw/zinc/96/83/58/1022968358.db2.gz KJXKIODIDXZJCB-KRWDZBQOSA-N 1 0 312.413 3.905 20 10 DHCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464369 1022974550 /nfs/dbraw/zinc/97/45/50/1022974550.db2.gz QCLAAQPBRLTMJI-UHFFFAOYSA-N 1 0 318.848 3.895 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1c(O)cccc1OC ZINC000768470903 1022976669 /nfs/dbraw/zinc/97/66/69/1022976669.db2.gz MLLZBHINRWLWII-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1O ZINC000768467867 1022976940 /nfs/dbraw/zinc/97/69/40/1022976940.db2.gz LHJGHOKYHVBDMM-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO C[C@@H](C1CC1)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000768532869 1022984378 /nfs/dbraw/zinc/98/43/78/1022984378.db2.gz PNBOAMUTNPTZGR-JTQLQIEISA-N 1 0 310.235 3.918 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H](COC)C2)cc1 ZINC000768539672 1022986724 /nfs/dbraw/zinc/98/67/24/1022986724.db2.gz ARZKIBCHNJAZKI-GOSISDBHSA-N 1 0 304.478 3.781 20 10 DHCDRO COc1cccc(O)c1CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000768765308 1023014334 /nfs/dbraw/zinc/01/43/34/1023014334.db2.gz CZDCUUCMLPHDCN-UHFFFAOYSA-N 1 0 322.408 3.749 20 10 DHCDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876572471 1033094801 /nfs/dbraw/zinc/09/48/01/1033094801.db2.gz DUIKUAITTULBCV-QFBILLFUSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000768919067 1023055626 /nfs/dbraw/zinc/05/56/26/1023055626.db2.gz PDGQMODEWOICJI-SFHVURJKSA-N 1 0 321.424 3.924 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c(O)c1 ZINC000768932008 1023059234 /nfs/dbraw/zinc/05/92/34/1023059234.db2.gz YQQFSRFZBXPYTA-CQSZACIVSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C)CC(C)(C)C)c1O ZINC000768937236 1023060143 /nfs/dbraw/zinc/06/01/43/1023060143.db2.gz MCYZCMWJJNHPPB-UHFFFAOYSA-N 1 0 316.239 3.641 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000769005905 1023077854 /nfs/dbraw/zinc/07/78/54/1023077854.db2.gz VVZXMNBFTDFKKE-UHFFFAOYSA-N 1 0 312.461 3.636 20 10 DHCDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccccc1O ZINC000759827190 1023081199 /nfs/dbraw/zinc/08/11/99/1023081199.db2.gz GSKOJDSSAOHCCE-LBPRGKRZSA-N 1 0 320.230 3.876 20 10 DHCDRO COCC[N@H+](CCCc1ccccc1)Cc1cc(C)ccc1O ZINC000769145132 1023088649 /nfs/dbraw/zinc/08/86/49/1023088649.db2.gz CJANZUVTAOLYHW-UHFFFAOYSA-N 1 0 313.441 3.782 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000769192468 1023090269 /nfs/dbraw/zinc/09/02/69/1023090269.db2.gz LDIUHYJOQKPAAS-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000769339526 1023128079 /nfs/dbraw/zinc/12/80/79/1023128079.db2.gz RAPGFZWJKWNCPQ-UHFFFAOYSA-N 1 0 311.425 3.955 20 10 DHCDRO CC(C)(C)C[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000769338624 1023129083 /nfs/dbraw/zinc/12/90/83/1023129083.db2.gz RRKVFLFTESFWKB-UHFFFAOYSA-N 1 0 313.441 3.900 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000769380361 1023136341 /nfs/dbraw/zinc/13/63/41/1023136341.db2.gz UYSMWIKAABNTHT-AWEZNQCLSA-N 1 0 315.388 3.920 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000769380362 1023136558 /nfs/dbraw/zinc/13/65/58/1023136558.db2.gz UYSMWIKAABNTHT-CQSZACIVSA-N 1 0 315.388 3.920 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)CC1 ZINC000769384284 1023137409 /nfs/dbraw/zinc/13/74/09/1023137409.db2.gz NETDYFNEWBWBRW-INIZCTEOSA-N 1 0 307.434 3.572 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769469731 1023161321 /nfs/dbraw/zinc/16/13/21/1023161321.db2.gz DMSSHEGBQUAJHI-OTWHNJEPSA-N 1 0 316.489 3.778 20 10 DHCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000769499463 1023167228 /nfs/dbraw/zinc/16/72/28/1023167228.db2.gz WCZGISHTWAISBU-FQEVSTJZSA-N 1 0 312.457 3.526 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c(O)c1 ZINC000769537191 1023175640 /nfs/dbraw/zinc/17/56/40/1023175640.db2.gz IOKVIPNBQJFAMO-SFHVURJKSA-N 1 0 314.429 3.857 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)C(C)C ZINC000876644049 1033112355 /nfs/dbraw/zinc/11/23/55/1033112355.db2.gz UXTSMHASGCRFGQ-MRXNPFEDSA-N 1 0 304.478 3.514 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCO[C@@H]2CCCCO2)cc1 ZINC000769695483 1023195336 /nfs/dbraw/zinc/19/53/36/1023195336.db2.gz GHJUTUCSQCSUBR-LJQANCHMSA-N 1 0 320.477 3.508 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000769710672 1023198304 /nfs/dbraw/zinc/19/83/04/1023198304.db2.gz ONSQBFRIYRGTFK-SJLPKXTDSA-N 1 0 304.478 3.970 20 10 DHCDRO CC(C)[N@H+](CCO[C@@H]1CCCCO1)Cc1ccc(N(C)C)cc1 ZINC000769712274 1023198727 /nfs/dbraw/zinc/19/87/27/1023198727.db2.gz ZNKJKFGMNMQVBN-LJQANCHMSA-N 1 0 320.477 3.506 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000769930540 1023250658 /nfs/dbraw/zinc/25/06/58/1023250658.db2.gz LFFVJNLJWRFVTP-JXFKEZNVSA-N 1 0 312.457 3.785 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)c1 ZINC000770353844 1023303760 /nfs/dbraw/zinc/30/37/60/1023303760.db2.gz VIQRLSVGCPIBJS-QZTJIDSGSA-N 1 0 319.445 3.570 20 10 DHCDRO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)c(O)c1 ZINC000770352454 1023305024 /nfs/dbraw/zinc/30/50/24/1023305024.db2.gz NWRKERXYBLFSIP-QZTJIDSGSA-N 1 0 319.445 3.570 20 10 DHCDRO Cn1c(-c2ccccc2)cnc1SCC[C@H]1CCC[N@@H+]1C ZINC000770463381 1023314543 /nfs/dbraw/zinc/31/45/43/1023314543.db2.gz SEQRIZKHABZJJZ-OAHLLOKOSA-N 1 0 301.459 3.664 20 10 DHCDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000770511035 1023315994 /nfs/dbraw/zinc/31/59/94/1023315994.db2.gz WBAXNYAFLRAFNU-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO CC[C@H](C)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000771823501 1023476863 /nfs/dbraw/zinc/47/68/63/1023476863.db2.gz GCRJZRZWGKFCPX-KKUMJFAQSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000771889575 1023481945 /nfs/dbraw/zinc/48/19/45/1023481945.db2.gz UJUABEJHGJRHEU-MJGOQNOKSA-N 1 0 302.462 3.580 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)cc1 ZINC000772199233 1023532026 /nfs/dbraw/zinc/53/20/26/1023532026.db2.gz MVHAIQUASZYYNK-SFHVURJKSA-N 1 0 319.832 3.991 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C[C@H]1C ZINC001172367582 1033146086 /nfs/dbraw/zinc/14/60/86/1033146086.db2.gz GRQVRGBHXYSNJV-MDZRGWNJSA-N 1 0 316.489 3.771 20 10 DHCDRO COc1ncccc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000785662341 1023606819 /nfs/dbraw/zinc/60/68/19/1023606819.db2.gz WYRNXDHMIBTTJZ-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cc(F)ccc1O ZINC000756761723 1023730815 /nfs/dbraw/zinc/73/08/15/1023730815.db2.gz UDEVYBRLEROWBR-XPTSAGLGSA-N 1 0 307.752 3.969 20 10 DHCDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000786955013 1023741542 /nfs/dbraw/zinc/74/15/42/1023741542.db2.gz XLMVVDVDCMBFFZ-AAEUAGOBSA-N 1 0 305.340 3.627 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1C ZINC000746667149 1023781140 /nfs/dbraw/zinc/78/11/40/1023781140.db2.gz VYLFOESSODUTEQ-LJQANCHMSA-N 1 0 317.404 3.785 20 10 DHCDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000787332773 1023784489 /nfs/dbraw/zinc/78/44/89/1023784489.db2.gz ORIKMIVFXHGVQJ-INIZCTEOSA-N 1 0 305.805 3.865 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000164608637 1023807841 /nfs/dbraw/zinc/80/78/41/1023807841.db2.gz YAMWKFBYTVKIDD-INIZCTEOSA-N 1 0 314.477 3.779 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c(O)c1 ZINC000788501603 1023896286 /nfs/dbraw/zinc/89/62/86/1023896286.db2.gz FVGMKVKBBJYVBB-AEFFLSMTSA-N 1 0 312.457 3.963 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccnc(OC)c2)cc1 ZINC000788544127 1023902674 /nfs/dbraw/zinc/90/26/74/1023902674.db2.gz CTMSUXIGXAPFIZ-HNNXBMFYSA-N 1 0 313.445 3.787 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCn2cnc3ccccc32)c(O)c1 ZINC000788573315 1023908853 /nfs/dbraw/zinc/90/88/53/1023908853.db2.gz OQIVIVCSWPBRCS-HNNXBMFYSA-N 1 0 309.413 3.710 20 10 DHCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000788594335 1023910585 /nfs/dbraw/zinc/91/05/85/1023910585.db2.gz VELPNHGOEIYOQH-MRXNPFEDSA-N 1 0 304.478 3.826 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1F ZINC000788594925 1023911422 /nfs/dbraw/zinc/91/14/22/1023911422.db2.gz YBFUPVOBSOECHF-CYBMUJFWSA-N 1 0 317.408 3.623 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@]1(C)CCCO1 ZINC000788595049 1023911822 /nfs/dbraw/zinc/91/18/22/1023911822.db2.gz ZKPFTBZZSVJCPL-PXNSSMCTSA-N 1 0 316.489 3.970 20 10 DHCDRO CC[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000788603261 1023912626 /nfs/dbraw/zinc/91/26/26/1023912626.db2.gz ACKREITTYANDRD-SFHVURJKSA-N 1 0 316.489 3.736 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c(O)c1 ZINC000788629451 1023916688 /nfs/dbraw/zinc/91/66/88/1023916688.db2.gz VAQXDQLVRBBGBL-MRXNPFEDSA-N 1 0 305.462 3.993 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000788687640 1023920428 /nfs/dbraw/zinc/92/04/28/1023920428.db2.gz RLUJXQGYMXXVRD-IFXJQAMLSA-N 1 0 317.404 3.706 20 10 DHCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788756887 1023928780 /nfs/dbraw/zinc/92/87/80/1023928780.db2.gz JUQXLTQYQDFUFC-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876874859 1033173327 /nfs/dbraw/zinc/17/33/27/1033173327.db2.gz LPSHAXYDICBBET-UHFFFAOYSA-N 1 0 305.418 3.993 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000788988493 1023960482 /nfs/dbraw/zinc/96/04/82/1023960482.db2.gz RGRXYKNOFYREDW-YZGWKJHDSA-N 1 0 316.489 3.746 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cnn(C)c1 ZINC000278858269 1023968923 /nfs/dbraw/zinc/96/89/23/1023968923.db2.gz WEQGJDITEOVYHY-IUCAKERBSA-N 1 0 314.216 3.844 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cnn(C)c1 ZINC000278858271 1023970460 /nfs/dbraw/zinc/97/04/60/1023970460.db2.gz WEQGJDITEOVYHY-RKDXNWHRSA-N 1 0 314.216 3.844 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194101431 1023987495 /nfs/dbraw/zinc/98/74/95/1023987495.db2.gz BCGNJUPLAQQYMV-INIZCTEOSA-N 1 0 321.804 3.532 20 10 DHCDRO CCCN(Cc1cnn(C(C)(C)C)c1)c1ccc(C[NH3+])cc1 ZINC000194978183 1024019604 /nfs/dbraw/zinc/01/96/04/1024019604.db2.gz LORAOHLIVIAOEA-UHFFFAOYSA-N 1 0 300.450 3.513 20 10 DHCDRO C[N@H+](CCC1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000129623292 1024029743 /nfs/dbraw/zinc/02/97/43/1024029743.db2.gz HEAJLJLFOCSCCQ-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO Cc1ccc(C[NH2+]CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000876929159 1033183851 /nfs/dbraw/zinc/18/38/51/1033183851.db2.gz UONWMGCRWRYADB-UHFFFAOYSA-N 1 0 311.425 3.539 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000876910117 1033182005 /nfs/dbraw/zinc/18/20/05/1033182005.db2.gz SRIYWWFPCPYWMX-UHFFFAOYSA-N 1 0 312.413 3.585 20 10 DHCDRO CCCN(Cc1ccc(-c2cc[nH]n2)o1)c1ccc(C[NH3+])cc1 ZINC000789750781 1024162899 /nfs/dbraw/zinc/16/28/99/1024162899.db2.gz POVUJJKCLMGKGM-UHFFFAOYSA-N 1 0 310.401 3.545 20 10 DHCDRO C[NH+](C)[C@H]1CCOc2c(NCc3cc(F)ccc3O)cccc21 ZINC000789776392 1024173567 /nfs/dbraw/zinc/17/35/67/1024173567.db2.gz DQGXPYPNQOBDPI-INIZCTEOSA-N 1 0 316.376 3.529 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(O)c1 ZINC000876963476 1033191758 /nfs/dbraw/zinc/19/17/58/1033191758.db2.gz CRZNYHPJNGCEOU-INIZCTEOSA-N 1 0 301.361 3.843 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000130576076 1024185934 /nfs/dbraw/zinc/18/59/34/1024185934.db2.gz WJKUXOPOSLHIAE-MRXNPFEDSA-N 1 0 322.456 3.684 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000268887048 1024189657 /nfs/dbraw/zinc/18/96/57/1024189657.db2.gz LSKCTJBSXQPALU-JZXOWHBKSA-N 1 0 302.462 3.753 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000130619910 1024191436 /nfs/dbraw/zinc/19/14/36/1024191436.db2.gz NIUGUBRPGNEYSB-LJQANCHMSA-N 1 0 322.456 3.684 20 10 DHCDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268976132 1024209672 /nfs/dbraw/zinc/20/96/72/1024209672.db2.gz AXMVWTLEVWIBIB-IAGOWNOFSA-N 1 0 304.478 3.879 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268982725 1024210219 /nfs/dbraw/zinc/21/02/19/1024210219.db2.gz DOJOBVJHEUSRMV-SJORKVTESA-N 1 0 304.459 3.588 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000876971803 1033195153 /nfs/dbraw/zinc/19/51/53/1033195153.db2.gz DNUSEOBQPOINFW-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccnc1Cl ZINC000269065851 1024235783 /nfs/dbraw/zinc/23/57/83/1024235783.db2.gz YYFXSTDNQQBIBL-CYBMUJFWSA-N 1 0 315.848 3.968 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC000876968801 1033195459 /nfs/dbraw/zinc/19/54/59/1033195459.db2.gz UBUDBNSEPAYECP-ICSRJNTNSA-N 1 0 311.425 3.958 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3(C)CC(F)(F)C3)CC2)cc1 ZINC000883250667 1024321536 /nfs/dbraw/zinc/32/15/36/1024321536.db2.gz ITEXIOOQEMVTHZ-UHFFFAOYSA-N 1 0 324.415 3.689 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000790702574 1024360439 /nfs/dbraw/zinc/36/04/39/1024360439.db2.gz SNOXMJRVPMNQPV-ACJLOTCBSA-N 1 0 305.462 3.717 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000790950881 1024402073 /nfs/dbraw/zinc/40/20/73/1024402073.db2.gz GORCUTNXDLBOTO-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000790994670 1024413769 /nfs/dbraw/zinc/41/37/69/1024413769.db2.gz BTJNUXPVDAIHIM-SFHVURJKSA-N 1 0 304.478 3.562 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883387922 1024422176 /nfs/dbraw/zinc/42/21/76/1024422176.db2.gz IGLNHZUDLRTJKH-QFBILLFUSA-N 1 0 321.424 3.989 20 10 DHCDRO CCCOc1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1C ZINC000883388236 1024422813 /nfs/dbraw/zinc/42/28/13/1024422813.db2.gz PWSOBPPDNDNXOV-UHFFFAOYSA-N 1 0 303.446 3.833 20 10 DHCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccccc1 ZINC000271080757 1024453987 /nfs/dbraw/zinc/45/39/87/1024453987.db2.gz VRXIKBMTEZPZNM-OAHLLOKOSA-N 1 0 315.413 3.610 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000132213578 1024463320 /nfs/dbraw/zinc/46/33/20/1024463320.db2.gz IOBIMSRYSGSBBP-LBPRGKRZSA-N 1 0 308.472 3.985 20 10 DHCDRO CC(C)n1cc([C@@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000132297518 1024466996 /nfs/dbraw/zinc/46/69/96/1024466996.db2.gz GITDDPBHIGTYAP-GFCCVEGCSA-N 1 0 310.492 3.754 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC001202611489 1024602344 /nfs/dbraw/zinc/60/23/44/1024602344.db2.gz JJFHGFFMFNXVSL-UHFFFAOYSA-N 1 0 323.477 3.993 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccsc2)c1O ZINC000228671840 1024604015 /nfs/dbraw/zinc/60/40/15/1024604015.db2.gz QANHTDPHKCSPKL-JTQLQIEISA-N 1 0 311.834 3.837 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCc2cccc(C)c2)c1O ZINC000228672956 1024604436 /nfs/dbraw/zinc/60/44/36/1024604436.db2.gz MLCDXYXPIANYEA-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000317699529 1024614193 /nfs/dbraw/zinc/61/41/93/1024614193.db2.gz DBWCEIGHIUZPSM-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000792164749 1024638913 /nfs/dbraw/zinc/63/89/13/1024638913.db2.gz DKOYUDMZKNYUGR-INIZCTEOSA-N 1 0 313.800 3.577 20 10 DHCDRO CCn1ccc(C[N@H+](C)Cc2cccc(Br)c2[O-])c1 ZINC000792183557 1024643715 /nfs/dbraw/zinc/64/37/15/1024643715.db2.gz PSEXUJJUEKHQJF-UHFFFAOYSA-N 1 0 323.234 3.608 20 10 DHCDRO CCc1ccc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)cc1 ZINC000792191388 1024646724 /nfs/dbraw/zinc/64/67/24/1024646724.db2.gz ZNAYRFFCXCAOFF-FQEVSTJZSA-N 1 0 311.425 3.837 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877068359 1033227186 /nfs/dbraw/zinc/22/71/86/1033227186.db2.gz POFWPFGZUMYTHW-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877068360 1033227718 /nfs/dbraw/zinc/22/77/18/1033227718.db2.gz POFWPFGZUMYTHW-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCF)C2)c1O ZINC000689885868 1024696972 /nfs/dbraw/zinc/69/69/72/1024696972.db2.gz LHWGULRSGVPNGH-LLVKDONJSA-N 1 0 301.789 3.626 20 10 DHCDRO C[C@H]1COCCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000772821549 1024792570 /nfs/dbraw/zinc/79/25/70/1024792570.db2.gz BAYIMJTYTUAIFI-ZDUSSCGKSA-N 1 0 311.381 3.902 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000279221506 1024799611 /nfs/dbraw/zinc/79/96/11/1024799611.db2.gz ZBXQWIZENIKDFO-SJORKVTESA-N 1 0 304.478 3.879 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792900120 1024825505 /nfs/dbraw/zinc/82/55/05/1024825505.db2.gz DSIIBWCTLDCKAB-CABCVRRESA-N 1 0 313.272 3.768 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccco2)c(C(F)(F)F)c1 ZINC000792891129 1024826139 /nfs/dbraw/zinc/82/61/39/1024826139.db2.gz PSQOKWUSJCLHCR-UHFFFAOYSA-N 1 0 312.335 3.697 20 10 DHCDRO CCCCOCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792940992 1024832965 /nfs/dbraw/zinc/83/29/65/1024832965.db2.gz FMLYNCCPPNKEHL-UHFFFAOYSA-N 1 0 318.383 3.678 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCc2ccc(C)nc2)cc1 ZINC000792920960 1024841076 /nfs/dbraw/zinc/84/10/76/1024841076.db2.gz HIIHOESCXWXQAO-UHFFFAOYSA-N 1 0 311.473 3.959 20 10 DHCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000792976790 1024851241 /nfs/dbraw/zinc/85/12/41/1024851241.db2.gz QQUSOUIMUOVTPZ-ICSRJNTNSA-N 1 0 316.489 3.970 20 10 DHCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000792997484 1024861191 /nfs/dbraw/zinc/86/11/91/1024861191.db2.gz XJUYUILXLCKENX-OAHLLOKOSA-N 1 0 318.383 3.532 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccc[nH]1 ZINC000793032331 1024864644 /nfs/dbraw/zinc/86/46/44/1024864644.db2.gz ZTCJEBJADHQDTD-NSHDSACASA-N 1 0 311.351 3.950 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)c1O ZINC000927011133 1033241589 /nfs/dbraw/zinc/24/15/89/1033241589.db2.gz OMRBINMWBQVAFN-UONOGXRCSA-N 1 0 305.418 3.543 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230320 1024945799 /nfs/dbraw/zinc/94/57/99/1024945799.db2.gz FWRFTDCKBHHVJN-GXFFZTMASA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c(O)c1 ZINC000793387290 1025029300 /nfs/dbraw/zinc/02/93/00/1025029300.db2.gz BVKIKCCLTRSVKQ-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2SC)c(O)c1 ZINC000793387460 1025029925 /nfs/dbraw/zinc/02/99/25/1025029925.db2.gz FBSCDDRBSKCPKV-ZDUSSCGKSA-N 1 0 317.454 3.844 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@H+](CC1CC1)CC1CCC1 ZINC000793390906 1025031497 /nfs/dbraw/zinc/03/14/97/1025031497.db2.gz USOQXHJWPINLIH-UHFFFAOYSA-N 1 0 314.473 3.535 20 10 DHCDRO Oc1ccc(Br)cc1C[N@H+](CC1CC1)C1CCC1 ZINC000793395820 1025033983 /nfs/dbraw/zinc/03/39/83/1025033983.db2.gz UDXYWLCIHBJWEK-UHFFFAOYSA-N 1 0 310.235 3.919 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCC3(C)C)cc2F)C[C@H](C)O1 ZINC000793520734 1025071132 /nfs/dbraw/zinc/07/11/32/1025071132.db2.gz ILOPQUMKGTWRBS-IYOUNJFTSA-N 1 0 320.452 3.718 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(C)nn2C)cc1F ZINC000793542060 1025088133 /nfs/dbraw/zinc/08/81/33/1025088133.db2.gz PDEKNVOVGDQZRN-AWEZNQCLSA-N 1 0 318.440 3.565 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1O ZINC000318990459 1025126391 /nfs/dbraw/zinc/12/63/91/1025126391.db2.gz AUWTTYMAUJWOKO-NSHDSACASA-N 1 0 316.788 3.777 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000825939860 1033260479 /nfs/dbraw/zinc/26/04/79/1033260479.db2.gz IMHMFEHWWAGGKA-PXAZEXFGSA-N 1 0 305.805 3.566 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000793610304 1025130024 /nfs/dbraw/zinc/13/00/24/1025130024.db2.gz STRFTKNFONXLLW-OALUTQOASA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc1Cl ZINC000825944091 1033268313 /nfs/dbraw/zinc/26/83/13/1033268313.db2.gz PTUGXVYXMKRPPP-APPDUMDISA-N 1 0 303.789 3.966 20 10 DHCDRO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000279811668 1025274173 /nfs/dbraw/zinc/27/41/73/1025274173.db2.gz FSRBDNBCVSBJGW-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178582284 1025305939 /nfs/dbraw/zinc/30/59/39/1025305939.db2.gz UMPLLSCOLCQTCX-GJZGRUSLSA-N 1 0 308.441 3.605 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000320270245 1025325364 /nfs/dbraw/zinc/32/53/64/1025325364.db2.gz TWGGHQTXVVKJMX-VCBZYWHSSA-N 1 0 320.477 3.562 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](CC1=NOCC1)Cc1ccccc1O ZINC001168244938 1025386057 /nfs/dbraw/zinc/38/60/57/1025386057.db2.gz VKYAHPDXWFDQFI-OAHLLOKOSA-N 1 0 310.397 3.732 20 10 DHCDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000236595368 1025413971 /nfs/dbraw/zinc/41/39/71/1025413971.db2.gz HUPRMJHJXBYHGQ-UHFFFAOYSA-N 1 0 322.468 3.967 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897470090 1025431831 /nfs/dbraw/zinc/43/18/31/1025431831.db2.gz XVXJLJNLEMBNAW-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000126467179 1033283143 /nfs/dbraw/zinc/28/31/43/1033283143.db2.gz FTLWKOFSYOGDFZ-KRWDZBQOSA-N 1 0 300.833 3.663 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(C)cc1O ZINC000279933179 1025513182 /nfs/dbraw/zinc/51/31/82/1025513182.db2.gz AWHMHYXNNHQRIP-FUHWJXTLSA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1O ZINC000279949880 1025515683 /nfs/dbraw/zinc/51/56/83/1025515683.db2.gz BQVHBHMOPGISNQ-GOSISDBHSA-N 1 0 312.413 3.900 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CSC)c1cc(Br)ccc1O ZINC000137415052 1025566044 /nfs/dbraw/zinc/56/60/44/1025566044.db2.gz DDCLPTXWXJPBHK-SKDRFNHKSA-N 1 0 318.280 3.947 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886391989 1025613920 /nfs/dbraw/zinc/61/39/20/1025613920.db2.gz MMTJZDOAZJJFKE-UHFFFAOYSA-N 1 0 300.446 3.586 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805749232 1025657558 /nfs/dbraw/zinc/65/75/58/1025657558.db2.gz WWTGLVQNWVSVPO-DOTOQJQBSA-N 1 0 319.832 3.690 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1OC ZINC000245855498 1025744586 /nfs/dbraw/zinc/74/45/86/1025744586.db2.gz NKECJRYOZVQJFS-UMVBOHGHSA-N 1 0 305.418 3.562 20 10 DHCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)s1 ZINC000179132779 1025790245 /nfs/dbraw/zinc/79/02/45/1025790245.db2.gz RXWKBBKLLLJRPY-ZDUSSCGKSA-N 1 0 301.459 3.903 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806170015 1025797761 /nfs/dbraw/zinc/79/77/61/1025797761.db2.gz VDFIOMOZDOAEDY-RDJZCZTQSA-N 1 0 322.468 3.731 20 10 DHCDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806176902 1025800882 /nfs/dbraw/zinc/80/08/82/1025800882.db2.gz XMBBBTQASAQZKS-CQSZACIVSA-N 1 0 324.415 3.595 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180098 1025832189 /nfs/dbraw/zinc/83/21/89/1025832189.db2.gz JUIZUJDQKULYCO-YOEHRIQHSA-N 1 0 319.832 3.862 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2OC)c1O ZINC000897483653 1025907329 /nfs/dbraw/zinc/90/73/29/1025907329.db2.gz SEXYENWKVCTYCL-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289661770 1026119481 /nfs/dbraw/zinc/11/94/81/1026119481.db2.gz GTXOJQQTTCDOKV-ZAAXVRCTSA-N 1 0 311.425 3.517 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289703526 1026139068 /nfs/dbraw/zinc/13/90/68/1026139068.db2.gz IULPBRJCEWWJHJ-MAUKXSAKSA-N 1 0 317.454 3.983 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC000289914947 1026230124 /nfs/dbraw/zinc/23/01/24/1026230124.db2.gz VGDPVULMWOTHLK-GOSISDBHSA-N 1 0 312.413 3.913 20 10 DHCDRO c1ccc2c(c1)OC[C@@H]2C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000808451288 1026292441 /nfs/dbraw/zinc/29/24/41/1026292441.db2.gz LAVUOWGMTGUORY-SFHVURJKSA-N 1 0 322.452 3.943 20 10 DHCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808693968 1026349489 /nfs/dbraw/zinc/34/94/89/1026349489.db2.gz WKZZKEFJQFRYTH-JTQLQIEISA-N 1 0 308.809 3.852 20 10 DHCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808694401 1026350102 /nfs/dbraw/zinc/35/01/02/1026350102.db2.gz CKMGMCBJSWMGJI-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808677860 1026355413 /nfs/dbraw/zinc/35/54/13/1026355413.db2.gz GADSKKBGVBXPGY-LBPRGKRZSA-N 1 0 307.825 3.600 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808720966 1026367671 /nfs/dbraw/zinc/36/76/71/1026367671.db2.gz FOGIDAVNZWLGHQ-RYGJVYDSSA-N 1 0 312.457 3.915 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(O)c1C ZINC000808729596 1026368712 /nfs/dbraw/zinc/36/87/12/1026368712.db2.gz MNYKKPPXBBIJAU-CJNGLKHVSA-N 1 0 315.388 3.802 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1O ZINC000808726394 1026370070 /nfs/dbraw/zinc/37/00/70/1026370070.db2.gz ANSCRZZLULXYNT-NWDGAFQWSA-N 1 0 303.789 3.872 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccccc2)c1O ZINC000808696641 1026374273 /nfs/dbraw/zinc/37/42/73/1026374273.db2.gz RDVKVBIDRFTVKL-BLLLJJGKSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000808701612 1026375775 /nfs/dbraw/zinc/37/57/75/1026375775.db2.gz CNTHUDWMHOERKM-GOPGUHFVSA-N 1 0 317.816 3.663 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCOc3ccccc32)c1O ZINC000894216246 1026457174 /nfs/dbraw/zinc/45/71/74/1026457174.db2.gz LMVNQYFFAKGEIR-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO CC(C)n1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000809574439 1026553306 /nfs/dbraw/zinc/55/33/06/1026553306.db2.gz MHAGDLZGKSTHGE-UHFFFAOYSA-N 1 0 314.433 3.509 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccn1 ZINC000894235030 1026562144 /nfs/dbraw/zinc/56/21/44/1026562144.db2.gz PADDWJCJBNUOST-HNNXBMFYSA-N 1 0 300.402 3.735 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C)cc1O ZINC000280028790 1026575893 /nfs/dbraw/zinc/57/58/93/1026575893.db2.gz HZDTVLHWRJIUBW-CVEARBPZSA-N 1 0 302.418 3.637 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655323 1026582465 /nfs/dbraw/zinc/58/24/65/1026582465.db2.gz HPMIOOPDAZUCQR-IBGZPJMESA-N 1 0 313.441 3.858 20 10 DHCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809701568 1026589111 /nfs/dbraw/zinc/58/91/11/1026589111.db2.gz GVZJUTRCSQZNII-FZKQIMNGSA-N 1 0 319.832 3.874 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1O ZINC000280108728 1026594483 /nfs/dbraw/zinc/59/44/83/1026594483.db2.gz NNLMXBUDLYMQPZ-OAHLLOKOSA-N 1 0 300.358 3.850 20 10 DHCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(N(C)C)c(F)c1 ZINC000809734494 1026597697 /nfs/dbraw/zinc/59/76/97/1026597697.db2.gz HQANONKRONCKFK-UHFFFAOYSA-N 1 0 315.436 3.741 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(C)cc1O ZINC000280149246 1026600865 /nfs/dbraw/zinc/60/08/65/1026600865.db2.gz QCJPWCUJEDAOMI-QGZVFWFLSA-N 1 0 309.413 3.898 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCSC(C)C)c1O ZINC000809722031 1026604372 /nfs/dbraw/zinc/60/43/72/1026604372.db2.gz KYHIFYIWAYPTNL-UHFFFAOYSA-N 1 0 318.280 3.694 20 10 DHCDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(C)cc1O ZINC000280189210 1026607099 /nfs/dbraw/zinc/60/70/99/1026607099.db2.gz SDQHSKPJUSVBPF-QGZVFWFLSA-N 1 0 318.461 3.534 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2F)c1O ZINC000809740268 1026611073 /nfs/dbraw/zinc/61/10/73/1026611073.db2.gz RROCPUSKICZSHX-ZDUSSCGKSA-N 1 0 303.377 3.651 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2SC)c1O ZINC000809740234 1026611218 /nfs/dbraw/zinc/61/12/18/1026611218.db2.gz QMRNUYGNHFAVJA-CYBMUJFWSA-N 1 0 317.454 3.844 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)c1O ZINC000809740125 1026611719 /nfs/dbraw/zinc/61/17/19/1026611719.db2.gz LVCRDAFUUYSIOK-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000280210514 1026611766 /nfs/dbraw/zinc/61/17/66/1026611766.db2.gz UDOAUZBAFUKRQE-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000280227168 1026618458 /nfs/dbraw/zinc/61/84/58/1026618458.db2.gz VCFBZEDNEDUKQL-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1cccnc1 ZINC000809765319 1026620025 /nfs/dbraw/zinc/62/00/25/1026620025.db2.gz MQIYIUUUNVYKIR-CQSZACIVSA-N 1 0 301.409 3.870 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265623 1026622830 /nfs/dbraw/zinc/62/28/30/1026622830.db2.gz XMMSPSJRZOINCO-CVEARBPZSA-N 1 0 321.367 3.753 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(C)cc1O ZINC000280302095 1026632146 /nfs/dbraw/zinc/63/21/46/1026632146.db2.gz ZYSKRRFFSZYABX-WMZOPIPTSA-N 1 0 303.377 3.614 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1O ZINC000894239997 1026635143 /nfs/dbraw/zinc/63/51/43/1026635143.db2.gz OJEXWGVIXMEEBG-AWEZNQCLSA-N 1 0 315.413 3.526 20 10 DHCDRO CC[C@]1(C[NH2+]Cc2cc(C)ccc2O)OCCc2ccccc21 ZINC000810159867 1026697929 /nfs/dbraw/zinc/69/79/29/1026697929.db2.gz LRAXKMMYPKSJJE-HXUWFJFHSA-N 1 0 311.425 3.668 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCCCC2=O)cc1 ZINC000810178988 1026699263 /nfs/dbraw/zinc/69/92/63/1026699263.db2.gz CDDMPBGFYUUTCV-HNNXBMFYSA-N 1 0 324.424 3.760 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810214722 1026708617 /nfs/dbraw/zinc/70/86/17/1026708617.db2.gz HIGFQXWJSGZYKM-GXFFZTMASA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218963 1026708699 /nfs/dbraw/zinc/70/86/99/1026708699.db2.gz YPPBODHCXIIOHB-HIFRSBDPSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810217223 1026709442 /nfs/dbraw/zinc/70/94/42/1026709442.db2.gz YXXVRNXMWGYTQL-GXTWGEPZSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810215592 1026709730 /nfs/dbraw/zinc/70/97/30/1026709730.db2.gz HSTWBFQQGDDYFQ-AWEZNQCLSA-N 1 0 318.383 3.792 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810227278 1026714308 /nfs/dbraw/zinc/71/43/08/1026714308.db2.gz VBURXGLIQCFUQV-CYBMUJFWSA-N 1 0 313.323 3.683 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810230884 1026715592 /nfs/dbraw/zinc/71/55/92/1026715592.db2.gz NEXZCRPQXOJOIJ-SKDRFNHKSA-N 1 0 305.340 3.611 20 10 DHCDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810263067 1026722157 /nfs/dbraw/zinc/72/21/57/1026722157.db2.gz KSCKOWYKBGVYQH-IPYPFGDCSA-N 1 0 308.441 3.790 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810257015 1026732178 /nfs/dbraw/zinc/73/21/78/1026732178.db2.gz LAYAMDUJPKWYGI-GBIKHYSHSA-N 1 0 305.340 3.875 20 10 DHCDRO COc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC001170624242 1026916909 /nfs/dbraw/zinc/91/69/09/1026916909.db2.gz FQZIVAGPOBVOCX-UHFFFAOYSA-N 1 0 314.473 3.738 20 10 DHCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000811518837 1027019960 /nfs/dbraw/zinc/01/99/60/1027019960.db2.gz PWRVHPSYOTVIRE-UHFFFAOYSA-N 1 0 313.372 3.587 20 10 DHCDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000811520256 1027020228 /nfs/dbraw/zinc/02/02/28/1027020228.db2.gz MNFPSKMDCVAKPM-OAHLLOKOSA-N 1 0 308.441 3.673 20 10 DHCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000811519676 1027020601 /nfs/dbraw/zinc/02/06/01/1027020601.db2.gz ZXDCZOKIZDWPOY-UHFFFAOYSA-N 1 0 309.409 3.757 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1[C@H]1CCCO1 ZINC000811510690 1027026635 /nfs/dbraw/zinc/02/66/35/1027026635.db2.gz MZJJXZZXTYKHIM-MOPGFXCFSA-N 1 0 311.425 3.935 20 10 DHCDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(C(C)C)c(C)cc3O)C2)c1 ZINC000811799117 1027085210 /nfs/dbraw/zinc/08/52/10/1027085210.db2.gz QVKXRFCOPPUUBY-QGZVFWFLSA-N 1 0 313.445 3.776 20 10 DHCDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295195787 1027140780 /nfs/dbraw/zinc/14/07/80/1027140780.db2.gz XXRQWDQBKCXVNU-IBGZPJMESA-N 1 0 302.462 3.535 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)c2ccccc12)c1ccccc1O ZINC000931555233 1027169660 /nfs/dbraw/zinc/16/96/60/1027169660.db2.gz VLISRCGFAXERIO-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780789748 1027192389 /nfs/dbraw/zinc/19/23/89/1027192389.db2.gz OVCVFWCWYPXPKL-CQSZACIVSA-N 1 0 317.816 3.947 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000828576520 1027203723 /nfs/dbraw/zinc/20/37/23/1027203723.db2.gz NCEYNBUMTVJLIQ-IAGOWNOFSA-N 1 0 316.489 3.780 20 10 DHCDRO CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@H]1CCOC1 ZINC000812297304 1027247263 /nfs/dbraw/zinc/24/72/63/1027247263.db2.gz ZGPUECZIQHVBSX-AWEZNQCLSA-N 1 0 311.381 3.902 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1O ZINC000812733920 1027381634 /nfs/dbraw/zinc/38/16/34/1027381634.db2.gz CAWMMWHASXEWLZ-NSHDSACASA-N 1 0 315.804 3.783 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1C ZINC000812737073 1027382242 /nfs/dbraw/zinc/38/22/42/1027382242.db2.gz GIVKSNJSELUNDX-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1cc(Cl)cc(CNc2cc3c(c[nH+]2)CCCC3)c1O ZINC000812782063 1027403823 /nfs/dbraw/zinc/40/38/23/1027403823.db2.gz OLGPUAKFOUMUQU-UHFFFAOYSA-N 1 0 318.804 3.940 20 10 DHCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158134186 1027436576 /nfs/dbraw/zinc/43/65/76/1027436576.db2.gz FANUKXQITPFOPJ-LBPRGKRZSA-N 1 0 305.805 3.862 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2scnc2C)cc1 ZINC000295840133 1027455738 /nfs/dbraw/zinc/45/57/38/1027455738.db2.gz AMIZKLCTKLEPDJ-CYBMUJFWSA-N 1 0 303.475 3.801 20 10 DHCDRO CCOCc1cc(C[NH2+]CCCC(C)(F)F)ccc1OC ZINC000295944865 1027497247 /nfs/dbraw/zinc/49/72/47/1027497247.db2.gz GPOFYFDXCGOLFP-UHFFFAOYSA-N 1 0 301.377 3.757 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C2CC2)c1 ZINC000295989247 1027511437 /nfs/dbraw/zinc/51/14/37/1027511437.db2.gz KCNZNGSFVUEFSR-LBPRGKRZSA-N 1 0 311.381 3.849 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)CC2 ZINC000296031281 1027523144 /nfs/dbraw/zinc/52/31/44/1027523144.db2.gz QDDPXJDGIALQTB-RBUKOAKNSA-N 1 0 322.452 3.806 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000894282720 1027580204 /nfs/dbraw/zinc/58/02/04/1027580204.db2.gz CSOOJBDZYBDGJA-UHFFFAOYSA-N 1 0 301.361 3.627 20 10 DHCDRO COc1ccc([C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331853 1027609199 /nfs/dbraw/zinc/60/91/99/1027609199.db2.gz WWSILFQCTWLVBN-KBPBESRZSA-N 1 0 315.413 3.864 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)Cc2ccco2)ccc1OC ZINC000747854597 1027627082 /nfs/dbraw/zinc/62/70/82/1027627082.db2.gz QUECHONHCNWPSR-AWEZNQCLSA-N 1 0 303.402 3.546 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296470222 1027648602 /nfs/dbraw/zinc/64/86/02/1027648602.db2.gz OJTHKPIRHNHWHB-LRDDRELGSA-N 1 0 313.445 3.990 20 10 DHCDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1Cl ZINC000296618369 1027686509 /nfs/dbraw/zinc/68/65/09/1027686509.db2.gz WRHAKRDIHRIVCS-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000296634738 1027691084 /nfs/dbraw/zinc/69/10/84/1027691084.db2.gz BOENPXLERXLWAT-ZIAGYGMSSA-N 1 0 322.449 3.736 20 10 DHCDRO Cc1ccc(N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000778985456 1027718486 /nfs/dbraw/zinc/71/84/86/1027718486.db2.gz USSONRYOTDVQPH-UHFFFAOYSA-N 1 0 314.404 3.552 20 10 DHCDRO C[C@H]1C[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000778995681 1027732903 /nfs/dbraw/zinc/73/29/03/1027732903.db2.gz FRSJEOZTMHZCNS-DOTOQJQBSA-N 1 0 302.462 3.532 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C[NH+](C)C ZINC000813877042 1027747462 /nfs/dbraw/zinc/74/74/62/1027747462.db2.gz JADIMFPOHLEYCW-UWVGGRQHSA-N 1 0 305.249 3.547 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813884341 1027749828 /nfs/dbraw/zinc/74/98/28/1027749828.db2.gz TVIQRGZAUZTPGH-GJZGRUSLSA-N 1 0 314.404 3.769 20 10 DHCDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000779004615 1027757771 /nfs/dbraw/zinc/75/77/71/1027757771.db2.gz XODRXFHBEHOHSW-INIZCTEOSA-N 1 0 322.452 3.808 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000364621025 1027857011 /nfs/dbraw/zinc/85/70/11/1027857011.db2.gz GIDXNIKYJMJJQV-QAPCUYQASA-N 1 0 301.386 3.818 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000527782091 1027882311 /nfs/dbraw/zinc/88/23/11/1027882311.db2.gz SNRCCXYSWMITNC-UHFFFAOYSA-N 1 0 315.388 3.794 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2cc(C)ccc2O)cc1F ZINC000527781764 1027882531 /nfs/dbraw/zinc/88/25/31/1027882531.db2.gz PSCGJBMHYKVXJZ-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO Cc1ccoc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000814173445 1027909067 /nfs/dbraw/zinc/90/90/67/1027909067.db2.gz PVMPWYNPWYUXQE-UHFFFAOYSA-N 1 0 310.191 3.654 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000814177525 1027913535 /nfs/dbraw/zinc/91/35/35/1027913535.db2.gz FUHQKAHEQNOEKB-AWEZNQCLSA-N 1 0 313.397 3.574 20 10 DHCDRO Fc1cc(C[NH+](C2CCC2)C2CCC2)ccc1N1CCOCC1 ZINC000814177587 1027914253 /nfs/dbraw/zinc/91/42/53/1027914253.db2.gz HSLCSBQHMJJOTJ-UHFFFAOYSA-N 1 0 318.436 3.569 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000934197686 1027925923 /nfs/dbraw/zinc/92/59/23/1027925923.db2.gz FPNOPWVPFOCWMX-QMMMGPOBSA-N 1 0 310.806 3.556 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000814230448 1027964564 /nfs/dbraw/zinc/96/45/64/1027964564.db2.gz QSDKLKFIYVOWFK-SFHVURJKSA-N 1 0 312.413 3.687 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528000665 1028023938 /nfs/dbraw/zinc/02/39/38/1028023938.db2.gz KLGUUWDOGLADAT-DOTOQJQBSA-N 1 0 306.425 3.589 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001094 1028026914 /nfs/dbraw/zinc/02/69/14/1028026914.db2.gz KZZUDHQNXNVADH-DOTOQJQBSA-N 1 0 302.462 3.677 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001096 1028030147 /nfs/dbraw/zinc/03/01/47/1028030147.db2.gz KZZUDHQNXNVADH-RDJZCZTQSA-N 1 0 302.462 3.677 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C2CC2)cn1 ZINC000528042617 1028058146 /nfs/dbraw/zinc/05/81/46/1028058146.db2.gz FZWGTXWHTIPCED-BBATYDOGSA-N 1 0 316.376 3.737 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1ccc(C)cc1O ZINC000366472211 1028084081 /nfs/dbraw/zinc/08/40/81/1028084081.db2.gz KZNDOIRGBFMRCL-MDASCCDHSA-N 1 0 311.425 3.962 20 10 DHCDRO CC(C)[N@H+](CCC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000814619952 1028125218 /nfs/dbraw/zinc/12/52/18/1028125218.db2.gz WPPKOCXEOACCRA-UHFFFAOYSA-N 1 0 304.478 3.780 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779063289 1028127707 /nfs/dbraw/zinc/12/77/07/1028127707.db2.gz FRKIHNQBDBZXGV-DOPJRALCSA-N 1 0 320.452 3.626 20 10 DHCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000367467429 1028187704 /nfs/dbraw/zinc/18/77/04/1028187704.db2.gz OMARRLBKCNDMFC-MRXNPFEDSA-N 1 0 321.424 3.659 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000367574735 1028206637 /nfs/dbraw/zinc/20/66/37/1028206637.db2.gz IVSJGZZWEMSXLH-CSJMPQKXSA-N 1 0 317.360 3.713 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1OC ZINC000159915071 1028315318 /nfs/dbraw/zinc/31/53/18/1028315318.db2.gz AODBFQJHIJDEJX-OAHLLOKOSA-N 1 0 305.418 3.564 20 10 DHCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)C2 ZINC000368315894 1028335213 /nfs/dbraw/zinc/33/52/13/1028335213.db2.gz MXSIQPMSCJDKMM-GDBMZVCRSA-N 1 0 321.424 3.716 20 10 DHCDRO Cc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC000815073325 1028351057 /nfs/dbraw/zinc/35/10/57/1028351057.db2.gz JQGSWXTZAAEAGN-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO Cc1cc(C[NH+]2CCC(c3ccccn3)CC2)ccc1N(C)C ZINC000815075738 1028353644 /nfs/dbraw/zinc/35/36/44/1028353644.db2.gz DRVVFJGMMTUNGB-UHFFFAOYSA-N 1 0 309.457 3.836 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1N(C)C ZINC000815083145 1028356346 /nfs/dbraw/zinc/35/63/46/1028356346.db2.gz JOGSUTRWEAFCAA-CTNGQTDRSA-N 1 0 324.468 3.928 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1 ZINC000815117454 1028366484 /nfs/dbraw/zinc/36/64/84/1028366484.db2.gz NITSSIQXFSECEP-LPHOPBHVSA-N 1 0 304.478 3.658 20 10 DHCDRO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)ccc1N(C)C ZINC000815108802 1028384546 /nfs/dbraw/zinc/38/45/46/1028384546.db2.gz ODSZWXMTTRXXQS-OCCSQVGLSA-N 1 0 300.368 3.834 20 10 DHCDRO CC(C)(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000815163167 1028389939 /nfs/dbraw/zinc/38/99/39/1028389939.db2.gz MCDBOLHYCSRQIF-UHFFFAOYSA-N 1 0 320.452 3.578 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000368797657 1028410312 /nfs/dbraw/zinc/41/03/12/1028410312.db2.gz OCQXXIPMNCHAGU-AWEZNQCLSA-N 1 0 319.445 3.600 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCCC1 ZINC000815554077 1028539361 /nfs/dbraw/zinc/53/93/61/1028539361.db2.gz RAQUAJZQSGWYDV-FQEVSTJZSA-N 1 0 324.468 3.752 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878254 1028540832 /nfs/dbraw/zinc/54/08/32/1028540832.db2.gz OWVHLWKADCBOTI-MJGOQNOKSA-N 1 0 315.388 3.576 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c(O)c1 ZINC000815564176 1028544469 /nfs/dbraw/zinc/54/44/69/1028544469.db2.gz ZZMUZBATUPUQBE-QGZVFWFLSA-N 1 0 312.457 3.792 20 10 DHCDRO Cc1cccc(C[NH2+]CCc2ccccc2OC(F)F)c1O ZINC000188989403 1028545113 /nfs/dbraw/zinc/54/51/13/1028545113.db2.gz DUQSFHKDIITLOS-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000815578244 1028550582 /nfs/dbraw/zinc/55/05/82/1028550582.db2.gz KIOVORGBHAVJOD-GOSISDBHSA-N 1 0 302.462 3.580 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N(C)C ZINC000815575988 1028552704 /nfs/dbraw/zinc/55/27/04/1028552704.db2.gz GOROEXUHQOCWJT-LPHOPBHVSA-N 1 0 312.457 3.606 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000815573529 1028566391 /nfs/dbraw/zinc/56/63/91/1028566391.db2.gz MOPYBBSUMKIEHW-AWEZNQCLSA-N 1 0 322.449 3.527 20 10 DHCDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815614824 1028569512 /nfs/dbraw/zinc/56/95/12/1028569512.db2.gz BRYYLGOHWJLTQA-BXWFABGCSA-N 1 0 313.441 3.815 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c(O)c1 ZINC000815623481 1028575294 /nfs/dbraw/zinc/57/52/94/1028575294.db2.gz YTHLVSRNLXDYSY-AEFFLSMTSA-N 1 0 313.441 3.653 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625185 1028576911 /nfs/dbraw/zinc/57/69/11/1028576911.db2.gz WVEAOSKVFHDRLH-BEFAXECRSA-N 1 0 313.441 3.956 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc2c(cc1O)CCCC2 ZINC000815642728 1028589285 /nfs/dbraw/zinc/58/92/85/1028589285.db2.gz KINSZYJEGCCQHU-QWHCGFSZSA-N 1 0 312.413 3.783 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c(O)c1 ZINC000815648076 1028592920 /nfs/dbraw/zinc/59/29/20/1028592920.db2.gz DCEHXJZEGNQZCS-RDJZCZTQSA-N 1 0 305.462 3.848 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1O ZINC000815647999 1028593171 /nfs/dbraw/zinc/59/31/71/1028593171.db2.gz BHMQGQGJMCJRMQ-OCCSQVGLSA-N 1 0 311.853 3.885 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1F ZINC000779218228 1028727030 /nfs/dbraw/zinc/72/70/30/1028727030.db2.gz WKHGGZOIWHTJDY-LJQANCHMSA-N 1 0 322.468 3.656 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000371869298 1028771137 /nfs/dbraw/zinc/77/11/37/1028771137.db2.gz GCHYDGJDBBQCNR-BDJLRTHQSA-N 1 0 317.360 3.714 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)CCCC2 ZINC000190170107 1028827463 /nfs/dbraw/zinc/82/74/63/1028827463.db2.gz LYYQHKYNHMYPKO-FQEVSTJZSA-N 1 0 315.457 3.662 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3nccs3)CC2)c1 ZINC000372598375 1028872831 /nfs/dbraw/zinc/87/28/31/1028872831.db2.gz CTDRKPRTAJXXDM-GFCCVEGCSA-N 1 0 318.442 3.798 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493371 1028897987 /nfs/dbraw/zinc/89/79/87/1028897987.db2.gz YNUAPHCXDYCGPY-OAHLLOKOSA-N 1 0 307.397 3.648 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494031 1028898841 /nfs/dbraw/zinc/89/88/41/1028898841.db2.gz WHUNXKXVILYCGX-MRXNPFEDSA-N 1 0 307.397 3.648 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494482 1028900222 /nfs/dbraw/zinc/90/02/22/1028900222.db2.gz NFIFDHBPFFAOBZ-LJQANCHMSA-N 1 0 324.468 3.996 20 10 DHCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816531118 1028922875 /nfs/dbraw/zinc/92/28/75/1028922875.db2.gz GRIORJMPRQEIGT-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548369 1028928878 /nfs/dbraw/zinc/92/88/78/1028928878.db2.gz FMFNZQYMAMSZLJ-IYBDPMFKSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc2ccccc21 ZINC000816592919 1028939062 /nfs/dbraw/zinc/93/90/62/1028939062.db2.gz YKHDMLOHFKYHAS-GOSISDBHSA-N 1 0 310.441 3.652 20 10 DHCDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816592668 1028939905 /nfs/dbraw/zinc/93/99/05/1028939905.db2.gz QOBKEUAFULREPP-GOSISDBHSA-N 1 0 319.404 3.898 20 10 DHCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816552550 1028942535 /nfs/dbraw/zinc/94/25/35/1028942535.db2.gz PLRCJPYKHWURFV-LJQANCHMSA-N 1 0 301.430 3.822 20 10 DHCDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1cccs1 ZINC000816552672 1028942642 /nfs/dbraw/zinc/94/26/42/1028942642.db2.gz SGKUMCFTMXXRQD-SFHVURJKSA-N 1 0 313.422 3.604 20 10 DHCDRO CCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816561948 1028945303 /nfs/dbraw/zinc/94/53/03/1028945303.db2.gz RQPBXVJJBQKJHX-UHFFFAOYSA-N 1 0 308.381 3.629 20 10 DHCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC000816560437 1028946178 /nfs/dbraw/zinc/94/61/78/1028946178.db2.gz OYDZUZWKHIPSQV-ROUUACIJSA-N 1 0 313.441 3.774 20 10 DHCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816610284 1028958714 /nfs/dbraw/zinc/95/87/14/1028958714.db2.gz FRLTVBRPTXERGA-UHFFFAOYSA-N 1 0 321.376 3.622 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2COc3ccccc32)ccc2ccccc21 ZINC000816613615 1028963240 /nfs/dbraw/zinc/96/32/40/1028963240.db2.gz ZZBOXPJXWHEEKG-INIZCTEOSA-N 1 0 305.377 3.811 20 10 DHCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816662386 1028981072 /nfs/dbraw/zinc/98/10/72/1028981072.db2.gz OEHZVPICVWQTLR-HXUWFJFHSA-N 1 0 313.441 3.776 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000816662656 1028982473 /nfs/dbraw/zinc/98/24/73/1028982473.db2.gz UUSQKHQOERTBLV-FQEVSTJZSA-N 1 0 318.505 3.763 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667649 1028986120 /nfs/dbraw/zinc/98/61/20/1028986120.db2.gz STNRUZPPBFJBDN-ZDUSSCGKSA-N 1 0 313.800 3.576 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c1 ZINC000373255488 1028992088 /nfs/dbraw/zinc/99/20/88/1028992088.db2.gz KXWNPAAVFGXDET-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1F ZINC000817411755 1029152196 /nfs/dbraw/zinc/15/21/96/1029152196.db2.gz VPOWOMSUDOAQQY-AWEZNQCLSA-N 1 0 308.466 3.515 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4cccnc4CC3)ccc21 ZINC000817573456 1029200542 /nfs/dbraw/zinc/20/05/42/1029200542.db2.gz DUXUFDUEIRELRB-LJQANCHMSA-N 1 0 321.468 3.501 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155358970 1029226075 /nfs/dbraw/zinc/22/60/75/1029226075.db2.gz JTFHZOYWKOPTQD-LSDHHAIUSA-N 1 0 300.402 3.528 20 10 DHCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1csc(Cl)c1 ZINC000817940736 1029281362 /nfs/dbraw/zinc/28/13/62/1029281362.db2.gz HPEHQGPMOKYBKI-ABAIWWIYSA-N 1 0 323.893 3.818 20 10 DHCDRO CCc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc[nH+]1 ZINC000450233162 1029284281 /nfs/dbraw/zinc/28/42/81/1029284281.db2.gz NTYWUFFZWSAFHK-UHFFFAOYSA-N 1 0 304.397 3.814 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000817943893 1029287370 /nfs/dbraw/zinc/28/73/70/1029287370.db2.gz WKNWQXXODQZVIF-PSOYPTMXSA-N 1 0 323.484 3.534 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(C2CC2)c1 ZINC000817943829 1029287949 /nfs/dbraw/zinc/28/79/49/1029287949.db2.gz VTWCVFTZOYJZRV-QVKFZJNVSA-N 1 0 323.484 3.981 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000817942215 1029288903 /nfs/dbraw/zinc/28/89/03/1029288903.db2.gz NAJVSPOSGLGFAI-NHCUHLMSSA-N 1 0 323.484 3.883 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C12CCCCC2 ZINC000817958710 1029296488 /nfs/dbraw/zinc/29/64/88/1029296488.db2.gz XNSKQRAKUWUGNE-ZWKOTPCHSA-N 1 0 302.462 3.529 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1OC(F)F ZINC000817956461 1029297418 /nfs/dbraw/zinc/29/74/18/1029297418.db2.gz ZWDVNEJCLHJDRH-GFCCVEGCSA-N 1 0 306.356 3.764 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817966415 1029303261 /nfs/dbraw/zinc/30/32/61/1029303261.db2.gz NGWZLEPMHFMAGO-MEBBXXQBSA-N 1 0 317.260 3.739 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000817967458 1029307515 /nfs/dbraw/zinc/30/75/15/1029307515.db2.gz JFLSMEOCWVJHDK-KPZWWZAWSA-N 1 0 312.413 3.711 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972376 1029309537 /nfs/dbraw/zinc/30/95/37/1029309537.db2.gz WKRHKOLAPGQWOT-CHIMOYNISA-N 1 0 317.260 3.880 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970497 1029310392 /nfs/dbraw/zinc/31/03/92/1029310392.db2.gz XSKCOXZHXKXOHK-AEJSXWLSSA-N 1 0 303.233 3.620 20 10 DHCDRO CC[NH2+][C@H](C)CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000817972932 1029311428 /nfs/dbraw/zinc/31/14/28/1029311428.db2.gz QCWDXWJBNQWZJN-VQIMIIECSA-N 1 0 312.457 3.654 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)ccc21 ZINC000374498007 1029362792 /nfs/dbraw/zinc/36/27/92/1029362792.db2.gz SXJOEEBLHHGGJG-CTNGQTDRSA-N 1 0 322.452 3.546 20 10 DHCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341718 1029372325 /nfs/dbraw/zinc/37/23/25/1029372325.db2.gz DRVWLNUJDHUEJX-HZPDHXFCSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C2)cc1 ZINC000818341704 1029373919 /nfs/dbraw/zinc/37/39/19/1029373919.db2.gz DIQISQHXTPJWME-CVEARBPZSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@H]3C)C2)cc1 ZINC000818343977 1029374910 /nfs/dbraw/zinc/37/49/10/1029374910.db2.gz GSIXOCXACBBYAF-MDZRGWNJSA-N 1 0 302.462 3.690 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000374710125 1029442289 /nfs/dbraw/zinc/44/22/89/1029442289.db2.gz BUYCRSQPANTYCH-BOFPYLFWSA-N 1 0 314.404 3.627 20 10 DHCDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000530215875 1029784978 /nfs/dbraw/zinc/78/49/78/1029784978.db2.gz JVPFICWXZCAEPV-LKFCYVNXSA-N 1 0 315.244 3.634 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373822016 1029824720 /nfs/dbraw/zinc/82/47/20/1029824720.db2.gz WLXNYRPXQDWFMH-MRXNPFEDSA-N 1 0 321.779 3.624 20 10 DHCDRO Cc1cc(CC[NH2+]C[C@@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000785414159 1029887115 /nfs/dbraw/zinc/88/71/15/1029887115.db2.gz UALORAVIWHKKFT-KRWDZBQOSA-N 1 0 314.498 3.979 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290241465 1029961762 /nfs/dbraw/zinc/96/17/62/1029961762.db2.gz ZNPSNUACLBVGNS-SFHVURJKSA-N 1 0 316.420 3.541 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1c(O)cccc1OC)C(F)(F)F ZINC000865757447 1030006303 /nfs/dbraw/zinc/00/63/03/1030006303.db2.gz RYGFZNVYTIEZFK-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1cccc(OC)c1O)C(F)(F)F ZINC000865757403 1030007331 /nfs/dbraw/zinc/00/73/31/1030007331.db2.gz QGDGFFTXGALTHD-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000865765387 1030013444 /nfs/dbraw/zinc/01/34/44/1030013444.db2.gz SPIDRYUPHOMXJX-UHFFFAOYSA-N 1 0 314.832 3.537 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC=C(C)CC3)C2)cc1 ZINC000822494187 1030027503 /nfs/dbraw/zinc/02/75/03/1030027503.db2.gz IQRXFZDHPVGWQM-SJORKVTESA-N 1 0 300.446 3.610 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](C)c3ccccc3)C2)cc1 ZINC000822494454 1030027526 /nfs/dbraw/zinc/02/75/26/1030027526.db2.gz OXTTWOLLSLVJSE-ZWKOTPCHSA-N 1 0 324.468 3.915 20 10 DHCDRO Cc1cccc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1O ZINC000822498411 1030047354 /nfs/dbraw/zinc/04/73/54/1030047354.db2.gz YWKDBZNKWNEVIV-UHFFFAOYSA-N 1 0 307.434 3.548 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@@H](CC)c2ccncc2)c1O ZINC000290519884 1030087680 /nfs/dbraw/zinc/08/76/80/1030087680.db2.gz PZWHPZPJLHYWJE-INIZCTEOSA-N 1 0 300.402 3.769 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1CC1CCC1 ZINC000924573262 1030126686 /nfs/dbraw/zinc/12/66/86/1030126686.db2.gz GWHYKWPEDSRGND-HNNXBMFYSA-N 1 0 312.461 3.600 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1O ZINC000245873365 1030167214 /nfs/dbraw/zinc/16/72/14/1030167214.db2.gz SDUUSYYHSNGAAM-HZPDHXFCSA-N 1 0 317.454 3.850 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000866405060 1030282048 /nfs/dbraw/zinc/28/20/48/1030282048.db2.gz VKHGHHVOUOHHIY-NRXGSXMXSA-N 1 0 313.397 3.582 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866409552 1030286492 /nfs/dbraw/zinc/28/64/92/1030286492.db2.gz NHXSTRPTXJXZQA-BZNIZROVSA-N 1 0 323.795 3.959 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C ZINC000291012013 1030286979 /nfs/dbraw/zinc/28/69/79/1030286979.db2.gz WXKDBDPPGYYPJR-ZWKOTPCHSA-N 1 0 301.430 3.543 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866449092 1030300504 /nfs/dbraw/zinc/30/05/04/1030300504.db2.gz RAUOZLUWJHQQNG-JLJPHGGASA-N 1 0 324.415 3.594 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H](O)C(F)(F)F ZINC000866464734 1030306677 /nfs/dbraw/zinc/30/66/77/1030306677.db2.gz YKIMUBOFQPOMEF-FEUHOPSXSA-N 1 0 313.319 3.508 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000866480118 1030316975 /nfs/dbraw/zinc/31/69/75/1030316975.db2.gz FIXHIQULXFZJDJ-YOEHRIQHSA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000866486059 1030322347 /nfs/dbraw/zinc/32/23/47/1030322347.db2.gz XJAXUCAMRKIVNG-NEPJUHHUSA-N 1 0 312.369 3.959 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1[O-] ZINC000866516856 1030341769 /nfs/dbraw/zinc/34/17/69/1030341769.db2.gz DGUFACAKXXBYQM-RFSCMCKOSA-N 1 0 310.869 3.959 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000866527674 1030344536 /nfs/dbraw/zinc/34/45/36/1030344536.db2.gz MCFVPRLUOWXAEG-WBVHZDCISA-N 1 0 302.462 3.610 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(Cl)ccc1O ZINC000866528072 1030345740 /nfs/dbraw/zinc/34/57/40/1030345740.db2.gz BDBVJYRKWYVCBF-QWHCGFSZSA-N 1 0 309.837 3.903 20 10 DHCDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)ccc1O ZINC000866543133 1030362000 /nfs/dbraw/zinc/36/20/00/1030362000.db2.gz MEIUBYNKAQDDMY-SECBINFHSA-N 1 0 311.344 3.868 20 10 DHCDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)ccc1O ZINC000866543135 1030363159 /nfs/dbraw/zinc/36/31/59/1030363159.db2.gz MEIUBYNKAQDDMY-VIFPVBQESA-N 1 0 311.344 3.868 20 10 DHCDRO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(Cl)cc1O ZINC000866568540 1030382766 /nfs/dbraw/zinc/38/27/66/1030382766.db2.gz XKMWWZQPFXJORQ-QMMMGPOBSA-N 1 0 315.751 3.568 20 10 DHCDRO Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000823753610 1030386393 /nfs/dbraw/zinc/38/63/93/1030386393.db2.gz XQRIYQCCXIDARR-CQSZACIVSA-N 1 0 319.326 3.816 20 10 DHCDRO C[C@@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866611085 1030400837 /nfs/dbraw/zinc/40/08/37/1030400837.db2.gz PFXYEULXSADABP-GFCCVEGCSA-N 1 0 313.376 3.884 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612972 1030402494 /nfs/dbraw/zinc/40/24/94/1030402494.db2.gz QAZNJUPKUNANDY-HOTGVXAUSA-N 1 0 312.461 3.822 20 10 DHCDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000772877367 1030417960 /nfs/dbraw/zinc/41/79/60/1030417960.db2.gz ZNPWIWPPKPHJSZ-HNNXBMFYSA-N 1 0 300.446 3.507 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755462 1030482130 /nfs/dbraw/zinc/48/21/30/1030482130.db2.gz WBZWXRKWIRWHJU-CQSZACIVSA-N 1 0 312.413 3.547 20 10 DHCDRO COc1cccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC000121867235 1030490738 /nfs/dbraw/zinc/49/07/38/1030490738.db2.gz KDFJCJNQGGSUFM-UHFFFAOYSA-N 1 0 313.372 3.829 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1O ZINC000291561068 1030549271 /nfs/dbraw/zinc/54/92/71/1030549271.db2.gz NBLQTDPWMDDJJV-FQEVSTJZSA-N 1 0 323.436 3.884 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824691126 1030613805 /nfs/dbraw/zinc/61/38/05/1030613805.db2.gz UJYHJNPSSLXWBZ-GOSISDBHSA-N 1 0 318.848 3.571 20 10 DHCDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824715528 1030619343 /nfs/dbraw/zinc/61/93/43/1030619343.db2.gz LFZPAEJHACPSKR-GXTWGEPZSA-N 1 0 300.368 3.915 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824716440 1030620231 /nfs/dbraw/zinc/62/02/31/1030620231.db2.gz VCCGSLFWPGWNIQ-XUVXKRRUSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000291735565 1030622216 /nfs/dbraw/zinc/62/22/16/1030622216.db2.gz OGRKUHHROCPJNV-UGSOOPFHSA-N 1 0 317.454 3.863 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000824772771 1030630931 /nfs/dbraw/zinc/63/09/31/1030630931.db2.gz HVLXPGQZHYFVMM-LBPRGKRZSA-N 1 0 324.635 3.728 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000824815589 1030647915 /nfs/dbraw/zinc/64/79/15/1030647915.db2.gz UGQAJOSFRGDURJ-VQIMIIECSA-N 1 0 302.462 3.534 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824941762 1030677508 /nfs/dbraw/zinc/67/75/08/1030677508.db2.gz QLTDLKKPQKNMQP-UKRRQHHQSA-N 1 0 322.246 3.775 20 10 DHCDRO CC[C@H]([NH2+]CCC1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000825040381 1030708264 /nfs/dbraw/zinc/70/82/64/1030708264.db2.gz JSFIXQGHJCLSMC-ZDUSSCGKSA-N 1 0 317.351 3.614 20 10 DHCDRO COCc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825077607 1030721701 /nfs/dbraw/zinc/72/17/01/1030721701.db2.gz CEWCHFHHNCRISJ-UHFFFAOYSA-N 1 0 305.805 3.790 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000825143590 1030735948 /nfs/dbraw/zinc/73/59/48/1030735948.db2.gz GWVZBYSQEVWQTD-UHFFFAOYSA-N 1 0 319.779 3.994 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)c(OC)c2)c1 ZINC000825144741 1030736175 /nfs/dbraw/zinc/73/61/75/1030736175.db2.gz QDXVPVPLPVNQBG-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CCCOc1ncccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825161031 1030746715 /nfs/dbraw/zinc/74/67/15/1030746715.db2.gz YMEMVUQHONBDQT-UHFFFAOYSA-N 1 0 320.820 3.828 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1 ZINC000825188883 1030751912 /nfs/dbraw/zinc/75/19/12/1030751912.db2.gz RTFKJVIBSMEAKL-UHFFFAOYSA-N 1 0 311.425 3.582 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297330 1030766503 /nfs/dbraw/zinc/76/65/03/1030766503.db2.gz AZXOLZORRQSCKC-JTQLQIEISA-N 1 0 308.809 3.680 20 10 DHCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000825326730 1030773848 /nfs/dbraw/zinc/77/38/48/1030773848.db2.gz PCKRCZFRZIGEGK-ZDUSSCGKSA-N 1 0 303.377 3.569 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1Cl ZINC000825332192 1030778596 /nfs/dbraw/zinc/77/85/96/1030778596.db2.gz XLQRTLHJQUTYGV-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825347972 1030785324 /nfs/dbraw/zinc/78/53/24/1030785324.db2.gz WHVVLYBJNQSMCB-UHFFFAOYSA-N 1 0 308.809 3.681 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)cc1Cl ZINC000825394582 1030798366 /nfs/dbraw/zinc/79/83/66/1030798366.db2.gz CAUAZXDUAWLJLJ-SCLBCKFNSA-N 1 0 319.832 3.956 20 10 DHCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825500799 1030828558 /nfs/dbraw/zinc/82/85/58/1030828558.db2.gz ICRIZNRUCOSPHY-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000292222396 1030888487 /nfs/dbraw/zinc/88/84/87/1030888487.db2.gz AGXJXIXCVXCCOE-OCCSQVGLSA-N 1 0 317.763 3.531 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926906730 1030982413 /nfs/dbraw/zinc/98/24/13/1030982413.db2.gz YTRAPBCUSSERNX-SLEUVZQESA-N 1 0 317.351 3.851 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000926914582 1030985599 /nfs/dbraw/zinc/98/55/99/1030985599.db2.gz AULUDPCUYZNFBZ-ZDUSSCGKSA-N 1 0 300.427 3.505 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(C)cc1O ZINC000926960345 1031020004 /nfs/dbraw/zinc/02/00/04/1031020004.db2.gz FMCMECFMADWRJM-UKRRQHHQSA-N 1 0 318.383 3.624 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)n1 ZINC000927054407 1031053541 /nfs/dbraw/zinc/05/35/41/1031053541.db2.gz XZCOJIIRTGRTQH-MJBXVCDLSA-N 1 0 315.417 3.633 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)n1 ZINC000927053620 1031054929 /nfs/dbraw/zinc/05/49/29/1031054929.db2.gz RTFRUFLDUBWART-MCIONIFRSA-N 1 0 315.417 3.633 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000927067150 1031064627 /nfs/dbraw/zinc/06/46/27/1031064627.db2.gz NRNMPLRDCOASPN-FNHZYXHNSA-N 1 0 302.462 3.608 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000927070338 1031071884 /nfs/dbraw/zinc/07/18/84/1031071884.db2.gz ZHEUITFFQSIOSU-RDTXWAMCSA-N 1 0 300.450 3.534 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(Cl)cc1O ZINC000927089931 1031081400 /nfs/dbraw/zinc/08/14/00/1031081400.db2.gz JHINOIFBWWHASM-NSHDSACASA-N 1 0 303.789 3.831 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(c3ccccc3)CCCO1)CC2 ZINC000927118747 1031103056 /nfs/dbraw/zinc/10/30/56/1031103056.db2.gz HGPPFASNSKXYHO-YLJYHZDGSA-N 1 0 309.409 3.675 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927137657 1031112321 /nfs/dbraw/zinc/11/23/21/1031112321.db2.gz AGOWSQAXMXQABZ-NOZJJQNGSA-N 1 0 304.365 3.728 20 10 DHCDRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000123434232 1031117914 /nfs/dbraw/zinc/11/79/14/1031117914.db2.gz KJKFQYZTEJUKSV-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000897539608 1031155598 /nfs/dbraw/zinc/15/55/98/1031155598.db2.gz KMSUZMNINGMRCE-UYAOXDASSA-N 1 0 316.489 3.708 20 10 DHCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000293013811 1031289549 /nfs/dbraw/zinc/28/95/49/1031289549.db2.gz PXSSDWUYMGGGRP-UHFFFAOYSA-N 1 0 301.434 3.681 20 10 DHCDRO COc1cccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c1O ZINC000123828239 1031351727 /nfs/dbraw/zinc/35/17/27/1031351727.db2.gz PKIMVPKAGXCCHF-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO Cc1ccoc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000293288276 1031411670 /nfs/dbraw/zinc/41/16/70/1031411670.db2.gz DEHBEVBGADBREH-SNVBAGLBSA-N 1 0 310.191 3.907 20 10 DHCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872038248 1031422142 /nfs/dbraw/zinc/42/21/42/1031422142.db2.gz MBSANKIAOZHRAX-CHWSQXEVSA-N 1 0 314.520 3.809 20 10 DHCDRO CC(C)C1([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000293609675 1031540571 /nfs/dbraw/zinc/54/05/71/1031540571.db2.gz DZDZANKXEPABLG-AWEZNQCLSA-N 1 0 306.425 3.502 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)c1O ZINC000360792047 1031564161 /nfs/dbraw/zinc/56/41/61/1031564161.db2.gz SNIYYJFOEVATFH-QGZVFWFLSA-N 1 0 313.445 3.858 20 10 DHCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000293869943 1031666767 /nfs/dbraw/zinc/66/67/67/1031666767.db2.gz ZNHJZTDFBJWHKT-CYBMUJFWSA-N 1 0 312.404 3.587 20 10 DHCDRO CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514854 1031671344 /nfs/dbraw/zinc/67/13/44/1031671344.db2.gz VDDYMVKKLDOSKN-ACJLOTCBSA-N 1 0 323.433 3.567 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cccc3ncccc23)n1 ZINC000873053930 1031701898 /nfs/dbraw/zinc/70/18/98/1031701898.db2.gz IHUDAGCVKSWCIM-UHFFFAOYSA-N 1 0 315.467 3.963 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000873108409 1031713343 /nfs/dbraw/zinc/71/33/43/1031713343.db2.gz XSGVOARDYPCLTN-PKOBYXMFSA-N 1 0 303.446 3.831 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1C ZINC000873126775 1031717325 /nfs/dbraw/zinc/71/73/25/1031717325.db2.gz CMQDEWWUFSKJJR-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873184836 1031745147 /nfs/dbraw/zinc/74/51/47/1031745147.db2.gz JFBNIMFPFIILLU-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000845928204 1031779835 /nfs/dbraw/zinc/77/98/35/1031779835.db2.gz AKTUVTFOBRMJFD-AWEZNQCLSA-N 1 0 307.434 3.630 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000845971158 1031788339 /nfs/dbraw/zinc/78/83/39/1031788339.db2.gz HOGDFXGAMYYOPQ-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1O ZINC000845992506 1031795473 /nfs/dbraw/zinc/79/54/73/1031795473.db2.gz NABHPLQNDMQDIP-OAHLLOKOSA-N 1 0 300.358 3.850 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019108 1031808134 /nfs/dbraw/zinc/80/81/34/1031808134.db2.gz XQDKQKPJZPORFS-ZBEGNZNMSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846059577 1031817560 /nfs/dbraw/zinc/81/75/60/1031817560.db2.gz YJSVOUVCOAQCAZ-SFHVURJKSA-N 1 0 321.424 3.508 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c(O)c1 ZINC000846031847 1031820106 /nfs/dbraw/zinc/82/01/06/1031820106.db2.gz CPIMRHZMQPXTJY-HUUCEWRRSA-N 1 0 301.789 3.585 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000846043378 1031839246 /nfs/dbraw/zinc/83/92/46/1031839246.db2.gz YRRJCKWQOFSTSZ-MRXNPFEDSA-N 1 0 309.837 3.649 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000846055165 1031847855 /nfs/dbraw/zinc/84/78/55/1031847855.db2.gz SYLUMJNOLFSGKN-UHFFFAOYSA-N 1 0 301.764 3.975 20 10 DHCDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846072311 1031848819 /nfs/dbraw/zinc/84/88/19/1031848819.db2.gz FRNUHVBEKYCYOD-MRXNPFEDSA-N 1 0 302.462 3.582 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cncs2)ccc1OC ZINC000897934345 1031877974 /nfs/dbraw/zinc/87/79/74/1031877974.db2.gz IAZSJDRVKJTIHM-LBPRGKRZSA-N 1 0 306.431 3.539 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1c(C)nn(C)c1C ZINC000846149515 1031882081 /nfs/dbraw/zinc/88/20/81/1031882081.db2.gz ZSAODDHWJILGIR-IAQYHMDHSA-N 1 0 317.433 3.553 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1O ZINC000846154652 1031885381 /nfs/dbraw/zinc/88/53/81/1031885381.db2.gz OUJZJHVPQCMLLA-SUNYJGFJSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1O ZINC000846155088 1031885649 /nfs/dbraw/zinc/88/56/49/1031885649.db2.gz DLNRIRDKABBXEJ-GJZGRUSLSA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)c1O ZINC000846154818 1031885754 /nfs/dbraw/zinc/88/57/54/1031885754.db2.gz TYPHSODYMQWCDR-QMTHXVAHSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)c1O ZINC000846150354 1031885870 /nfs/dbraw/zinc/88/58/70/1031885870.db2.gz ZMRAAGQKLMVDBK-CJNGLKHVSA-N 1 0 313.397 3.802 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)sc32)c1O ZINC000846165109 1031893347 /nfs/dbraw/zinc/89/33/47/1031893347.db2.gz MUTOECRYFDTABV-GXFFZTMASA-N 1 0 318.442 3.894 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC000846164261 1031895096 /nfs/dbraw/zinc/89/50/96/1031895096.db2.gz NSBKBHAZCADQBU-LXZKKBNFSA-N 1 0 307.434 3.645 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cccc(OC)c2O)o1 ZINC000846143064 1031902919 /nfs/dbraw/zinc/90/29/19/1031902919.db2.gz AIJISMMVESDDLZ-SWLSCSKDSA-N 1 0 319.401 3.595 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2c(C)cccc2C)c1O ZINC000846141637 1031903331 /nfs/dbraw/zinc/90/33/31/1031903331.db2.gz LHDMAOGCZNHFIC-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)c1O ZINC000846145549 1031906252 /nfs/dbraw/zinc/90/62/52/1031906252.db2.gz LHYLEDWDOIVACP-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000846143152 1031906682 /nfs/dbraw/zinc/90/66/82/1031906682.db2.gz HZUDMFQSRZKURG-ZRGWGRIASA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)c1O ZINC000846143239 1031907874 /nfs/dbraw/zinc/90/78/74/1031907874.db2.gz CWMHQIIOQGVXFE-KBPBESRZSA-N 1 0 315.413 3.778 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146919 1031910376 /nfs/dbraw/zinc/91/03/76/1031910376.db2.gz SWOKXANHXLCXMC-QWHCGFSZSA-N 1 0 303.406 3.590 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCc2ccc(C)o2)c1O ZINC000846146107 1031911020 /nfs/dbraw/zinc/91/10/20/1031911020.db2.gz NAOJBHGWUQPYFS-TZMCWYRMSA-N 1 0 303.402 3.974 20 10 DHCDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877459520 1033308677 /nfs/dbraw/zinc/30/86/77/1033308677.db2.gz IASNPYBDSXOYGT-SFHVURJKSA-N 1 0 316.489 3.516 20 10 DHCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877465694 1033311893 /nfs/dbraw/zinc/31/18/93/1033311893.db2.gz VFLBZLNETDKRBF-WMZOPIPTSA-N 1 0 316.489 3.706 20 10 DHCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877548681 1033349858 /nfs/dbraw/zinc/34/98/58/1033349858.db2.gz QXEJSEZVDGRQLN-IBGZPJMESA-N 1 0 316.489 3.514 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000877570641 1033363282 /nfs/dbraw/zinc/36/32/82/1033363282.db2.gz LNXJKLIHLKKBKR-CYBMUJFWSA-N 1 0 307.315 3.895 20 10 DHCDRO Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(O)c1 ZINC000877610146 1033379324 /nfs/dbraw/zinc/37/93/24/1033379324.db2.gz GHFZGTXBQYINLP-UHFFFAOYSA-N 1 0 303.299 3.567 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(O)c1 ZINC000877626986 1033388345 /nfs/dbraw/zinc/38/83/45/1033388345.db2.gz FKCYGJQDYHRKBR-UHFFFAOYSA-N 1 0 301.361 3.671 20 10 DHCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172847097 1033417926 /nfs/dbraw/zinc/41/79/26/1033417926.db2.gz ZRGUHWBBCLHPFA-LLVKDONJSA-N 1 0 323.795 3.654 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(-c2ccnn2C)c1 ZINC000877758366 1033434457 /nfs/dbraw/zinc/43/44/57/1033434457.db2.gz WIZVHYKNIKNLII-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756524 1033434733 /nfs/dbraw/zinc/43/47/33/1033434733.db2.gz PDVWUEWHLRTZGJ-LLVKDONJSA-N 1 0 307.825 3.753 20 10 DHCDRO CCOc1cccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)c1O ZINC000877770794 1033445922 /nfs/dbraw/zinc/44/59/22/1033445922.db2.gz XVTJAZNCWMHJRK-UHFFFAOYSA-N 1 0 310.397 3.904 20 10 DHCDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000151437951 1033451368 /nfs/dbraw/zinc/45/13/68/1033451368.db2.gz ITARKWPPZAMTMP-KRWDZBQOSA-N 1 0 309.457 3.965 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000151590190 1033466028 /nfs/dbraw/zinc/46/60/28/1033466028.db2.gz OPULHVWNYQGYBF-MRXNPFEDSA-N 1 0 316.489 3.564 20 10 DHCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172918531 1033467559 /nfs/dbraw/zinc/46/75/59/1033467559.db2.gz RWLJQXVHXAGFQR-MJGOQNOKSA-N 1 0 302.462 3.724 20 10 DHCDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000877834952 1033482447 /nfs/dbraw/zinc/48/24/47/1033482447.db2.gz BSBCWGLWIAGFJD-GOSISDBHSA-N 1 0 311.425 3.652 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000153144971 1033563311 /nfs/dbraw/zinc/56/33/11/1033563311.db2.gz CFCRXCXLMVHEKR-SJORKVTESA-N 1 0 302.462 3.754 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173221566 1033603584 /nfs/dbraw/zinc/60/35/84/1033603584.db2.gz NUKCICUILUFEEV-CQSZACIVSA-N 1 0 314.385 3.633 20 10 DHCDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000127002402 1033643139 /nfs/dbraw/zinc/64/31/39/1033643139.db2.gz ICAVNUDLDFZSOS-IBGZPJMESA-N 1 0 313.420 3.932 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)c2ccccn2)cc1Cl ZINC000826036304 1033666744 /nfs/dbraw/zinc/66/67/44/1033666744.db2.gz FMACTKGRGMTQKI-UHFFFAOYSA-N 1 0 304.821 3.816 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2ncsc2c1 ZINC000777222396 1033728154 /nfs/dbraw/zinc/72/81/54/1033728154.db2.gz MUEUIVIYEXSYEL-JTQLQIEISA-N 1 0 302.374 3.992 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2ncsc2c1 ZINC000777222397 1033729206 /nfs/dbraw/zinc/72/92/06/1033729206.db2.gz MUEUIVIYEXSYEL-SNVBAGLBSA-N 1 0 302.374 3.992 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000826049739 1033750377 /nfs/dbraw/zinc/75/03/77/1033750377.db2.gz YJJYOJTZWURZMP-USXIJHARSA-N 1 0 323.864 3.870 20 10 DHCDRO Cc1cccnc1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826062220 1033806782 /nfs/dbraw/zinc/80/67/82/1033806782.db2.gz NKIUBAFFCOQUCH-UHFFFAOYSA-N 1 0 304.821 3.780 20 10 DHCDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476431 1033862286 /nfs/dbraw/zinc/86/22/86/1033862286.db2.gz UBRVTCZGDCUPLY-OAHLLOKOSA-N 1 0 312.413 3.516 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@](C)(CC)c2nc(C)cs2)c1O ZINC000174504613 1033937639 /nfs/dbraw/zinc/93/76/39/1033937639.db2.gz IKVJOOVTNAMGOX-KRWDZBQOSA-N 1 0 320.458 3.971 20 10 DHCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000174536279 1033941970 /nfs/dbraw/zinc/94/19/70/1033941970.db2.gz REXCNXMXUUCDNA-QYZOEREBSA-N 1 0 314.473 3.580 20 10 DHCDRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649707 1034069528 /nfs/dbraw/zinc/06/95/28/1034069528.db2.gz SUVOHPCWUWBKIG-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccccc1O ZINC000879649619 1034069727 /nfs/dbraw/zinc/06/97/27/1034069727.db2.gz ZCESBQYXPOMWPM-MRXNPFEDSA-N 1 0 321.424 3.682 20 10 DHCDRO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000879650238 1034074034 /nfs/dbraw/zinc/07/40/34/1034074034.db2.gz QXTJGLXHNRBXKF-GFCCVEGCSA-N 1 0 300.402 3.746 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120466 1034119173 /nfs/dbraw/zinc/11/91/73/1034119173.db2.gz DQFDUNOOXGACKG-NVXWUHKLSA-N 1 0 317.816 3.662 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000128145664 1034189762 /nfs/dbraw/zinc/18/97/62/1034189762.db2.gz QNHPHYMZWNCDIG-ZBFHGGJFSA-N 1 0 308.441 3.628 20 10 DHCDRO CCc1cccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000864053158 1034281110 /nfs/dbraw/zinc/28/11/10/1034281110.db2.gz FLAMPZCHKPPPJW-QGZVFWFLSA-N 1 0 303.446 3.784 20 10 DHCDRO C[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000179770374 1034334028 /nfs/dbraw/zinc/33/40/28/1034334028.db2.gz FOLYTQAURAUUOO-UHFFFAOYSA-N 1 0 313.426 3.611 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183423674 1034386223 /nfs/dbraw/zinc/38/62/23/1034386223.db2.gz SZVMOYQYUUAGFW-AWEZNQCLSA-N 1 0 312.413 3.982 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000183445279 1034388400 /nfs/dbraw/zinc/38/84/00/1034388400.db2.gz YEUPDFNRLHTWFF-HUUCEWRRSA-N 1 0 314.404 3.708 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1O ZINC000183539078 1034397492 /nfs/dbraw/zinc/39/74/92/1034397492.db2.gz KKRWVVRQJJPFCJ-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000183538029 1034397542 /nfs/dbraw/zinc/39/75/42/1034397542.db2.gz DLSQXDHLYWWZHB-SECBINFHSA-N 1 0 316.348 3.761 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183534880 1034397732 /nfs/dbraw/zinc/39/77/32/1034397732.db2.gz BVEUTFKGSPPDKY-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183534845 1034397749 /nfs/dbraw/zinc/39/77/49/1034397749.db2.gz BVEUTFKGSPPDKY-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O ZINC000183547021 1034400028 /nfs/dbraw/zinc/40/00/28/1034400028.db2.gz PLCDGQPMRRARSK-INIZCTEOSA-N 1 0 321.424 3.682 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000183632500 1034408696 /nfs/dbraw/zinc/40/86/96/1034408696.db2.gz NZDBIKWUVQLIGW-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)c(O)c1 ZINC000183730548 1034417903 /nfs/dbraw/zinc/41/79/03/1034417903.db2.gz VQBICVSPAUUKCP-CQSZACIVSA-N 1 0 300.402 3.769 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccc(C)cc1O ZINC000794802160 1034473480 /nfs/dbraw/zinc/47/34/80/1034473480.db2.gz MXGSKONPZPDBOK-GOSISDBHSA-N 1 0 323.440 3.940 20 10 DHCDRO CC[C@@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805565 1034491086 /nfs/dbraw/zinc/49/10/86/1034491086.db2.gz XGCDWAOABFEBAE-PKOBYXMFSA-N 1 0 313.441 3.999 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794805552 1034491490 /nfs/dbraw/zinc/49/14/90/1034491490.db2.gz XEUYIGMGNXGYHW-ACJLOTCBSA-N 1 0 315.461 3.723 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000184918516 1034512384 /nfs/dbraw/zinc/51/23/84/1034512384.db2.gz HYVRLZVELMXIKO-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(C)cc1O ZINC000794813104 1034520529 /nfs/dbraw/zinc/52/05/29/1034520529.db2.gz BXTNLSJNXKDJTC-HUUCEWRRSA-N 1 0 305.443 3.845 20 10 DHCDRO CCOCCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185071598 1034523937 /nfs/dbraw/zinc/52/39/37/1034523937.db2.gz CHQQKFPIKHHXJW-NSHDSACASA-N 1 0 316.239 3.622 20 10 DHCDRO CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794816431 1034525564 /nfs/dbraw/zinc/52/55/64/1034525564.db2.gz KQZGYQPITYILET-SFHVURJKSA-N 1 0 315.461 3.724 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000185095471 1034527342 /nfs/dbraw/zinc/52/73/42/1034527342.db2.gz ZRUWTOGNLVFWGA-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(C)cc1O ZINC000794817219 1034534169 /nfs/dbraw/zinc/53/41/69/1034534169.db2.gz NWTAAQXMSIIXAQ-WBVHZDCISA-N 1 0 305.462 3.930 20 10 DHCDRO COCCCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185233318 1034536120 /nfs/dbraw/zinc/53/61/20/1034536120.db2.gz QLTYAKFRLDXBBB-NSHDSACASA-N 1 0 316.239 3.622 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185349931 1034543914 /nfs/dbraw/zinc/54/39/14/1034543914.db2.gz SUUUQSWPXSMBDV-OLZOCXBDSA-N 1 0 313.445 3.725 20 10 DHCDRO Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000794830129 1034550417 /nfs/dbraw/zinc/55/04/17/1034550417.db2.gz ZEDQOERTFIGBGO-IAQYHMDHSA-N 1 0 300.377 3.615 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185525195 1034554556 /nfs/dbraw/zinc/55/45/56/1034554556.db2.gz MECKTVWSYSCLFS-HIFRSBDPSA-N 1 0 319.832 3.862 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000185547953 1034557820 /nfs/dbraw/zinc/55/78/20/1034557820.db2.gz LJHYWBPNTZDNML-XJKSGUPXSA-N 1 0 303.402 3.894 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185783055 1034574660 /nfs/dbraw/zinc/57/46/60/1034574660.db2.gz QAKQTDVNKUEEQA-UONOGXRCSA-N 1 0 303.446 3.737 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c1 ZINC000186040911 1034593892 /nfs/dbraw/zinc/59/38/92/1034593892.db2.gz IWTIEZFFTPMRJJ-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC000186094130 1034597843 /nfs/dbraw/zinc/59/78/43/1034597843.db2.gz WEZYQRWXQWRGLY-IBGZPJMESA-N 1 0 321.424 3.878 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000186159509 1034605105 /nfs/dbraw/zinc/60/51/05/1034605105.db2.gz MHKIUXPEUIEZAD-DNVCBOLYSA-N 1 0 311.425 3.865 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000186159522 1034605192 /nfs/dbraw/zinc/60/51/92/1034605192.db2.gz MHKIUXPEUIEZAD-HNAYVOBHSA-N 1 0 311.425 3.865 20 10 DHCDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000186774338 1034660663 /nfs/dbraw/zinc/66/06/63/1034660663.db2.gz FDSOIHGTGJBQKQ-GXTWGEPZSA-N 1 0 303.475 3.972 20 10 DHCDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000120566622 1034661981 /nfs/dbraw/zinc/66/19/81/1034661981.db2.gz IYPGJVITRLOFEQ-HXUWFJFHSA-N 1 0 310.441 3.928 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCCCC1 ZINC001177087372 1035349314 /nfs/dbraw/zinc/34/93/14/1035349314.db2.gz ZKOATGBDLDCFNP-UHFFFAOYSA-N 1 0 315.505 3.641 20 10 DHCDRO COc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001177449398 1035369783 /nfs/dbraw/zinc/36/97/83/1035369783.db2.gz FQFQESVUVCGLII-UHFFFAOYSA-N 1 0 311.425 3.743 20 10 DHCDRO COc1cccc2c1CCC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001177586795 1035383071 /nfs/dbraw/zinc/38/30/71/1035383071.db2.gz KTBDYLUXAHSBJM-SFHVURJKSA-N 1 0 323.436 3.667 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1F ZINC001177928975 1035400954 /nfs/dbraw/zinc/40/09/54/1035400954.db2.gz RFSBFYIWJOEXFF-PKOBYXMFSA-N 1 0 322.468 3.965 20 10 DHCDRO c1ccc(COC2CC([NH2+]Cc3ccc4c(c3)CCCO4)C2)cc1 ZINC001178436062 1035426627 /nfs/dbraw/zinc/42/66/27/1035426627.db2.gz CMZBJYXWWGVCNM-UHFFFAOYSA-N 1 0 323.436 3.849 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](CO)CCC(C)(C)C)ccc1OC ZINC001178571050 1035437873 /nfs/dbraw/zinc/43/78/73/1035437873.db2.gz GNRMJQSPZOZZLY-QGZVFWFLSA-N 1 0 323.477 3.509 20 10 DHCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178601001 1035439825 /nfs/dbraw/zinc/43/98/25/1035439825.db2.gz DJJIDLDQYJCLOI-HNNXBMFYSA-N 1 0 311.425 3.741 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1 ZINC001178796321 1035447994 /nfs/dbraw/zinc/44/79/94/1035447994.db2.gz WFDRIVCLWRPEGL-LJQANCHMSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC001178810476 1035449028 /nfs/dbraw/zinc/44/90/28/1035449028.db2.gz JJZGQDLYFCCOFY-KRWDZBQOSA-N 1 0 314.473 3.765 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001178998300 1035460505 /nfs/dbraw/zinc/46/05/05/1035460505.db2.gz IVLVYJDZVVJSDE-HEVSSNLLSA-N 1 0 310.416 3.993 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)cc1 ZINC001179129589 1035466124 /nfs/dbraw/zinc/46/61/24/1035466124.db2.gz UGUNBSSVRCDASJ-IBGZPJMESA-N 1 0 322.452 3.941 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC001179390252 1035476467 /nfs/dbraw/zinc/47/64/67/1035476467.db2.gz FFKOXJGZINSXIM-AZUAARDMSA-N 1 0 316.489 3.828 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000773813736 1035479387 /nfs/dbraw/zinc/47/93/87/1035479387.db2.gz VZSVRAHOFFUCTA-GOSISDBHSA-N 1 0 314.477 3.753 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@H]2OCCc3ccccc32)cc1C ZINC001179666429 1035492075 /nfs/dbraw/zinc/49/20/75/1035492075.db2.gz RJJYFNYYPPCSPL-HXUWFJFHSA-N 1 0 311.425 3.797 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1 ZINC001179874331 1035529249 /nfs/dbraw/zinc/52/92/49/1035529249.db2.gz XHNLVGVOGDINSV-MRXNPFEDSA-N 1 0 313.441 3.899 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001180052867 1035576495 /nfs/dbraw/zinc/57/64/95/1035576495.db2.gz WEIGVBXWAGLEDE-DOTOQJQBSA-N 1 0 307.459 3.569 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)Cc2ccsc2)c1O ZINC001180057507 1035578946 /nfs/dbraw/zinc/57/89/46/1035578946.db2.gz GXCCMAQRYOATOX-ZDUSSCGKSA-N 1 0 305.443 3.834 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCCC2)cc1 ZINC000775587092 1035596010 /nfs/dbraw/zinc/59/60/10/1035596010.db2.gz SEOWYYBGJMJKAP-MRXNPFEDSA-N 1 0 304.478 3.879 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905677704 1035612631 /nfs/dbraw/zinc/61/26/31/1035612631.db2.gz JPYDGHHYXKTXJK-CQSZACIVSA-N 1 0 317.326 3.875 20 10 DHCDRO CC(C)c1ccc(O)c(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC001180546702 1035713642 /nfs/dbraw/zinc/71/36/42/1035713642.db2.gz QCHIJGCFPQCGMT-UHFFFAOYSA-N 1 0 316.489 3.966 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C[C@@H](C)OC ZINC001194551389 1035960184 /nfs/dbraw/zinc/96/01/84/1035960184.db2.gz GSXLIYNYZGGMOU-QGZVFWFLSA-N 1 0 304.478 3.842 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC001182139513 1036106220 /nfs/dbraw/zinc/10/62/20/1036106220.db2.gz KWTFDJHNMNYLEQ-MRXNPFEDSA-N 1 0 311.853 3.631 20 10 DHCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204321133 1036113047 /nfs/dbraw/zinc/11/30/47/1036113047.db2.gz GYEFEJMPIQWIET-UHFFFAOYSA-N 1 0 315.505 3.595 20 10 DHCDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000774160085 1036205971 /nfs/dbraw/zinc/20/59/71/1036205971.db2.gz CJSASBIKFCVZMY-SFHVURJKSA-N 1 0 324.380 3.697 20 10 DHCDRO CC[N@H+](Cc1cccc(C)c1O)Cc1ccc(OC)cc1OC ZINC000775654311 1036243788 /nfs/dbraw/zinc/24/37/88/1036243788.db2.gz XXIZHJUAAQSCNP-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000775658362 1036246088 /nfs/dbraw/zinc/24/60/88/1036246088.db2.gz LIYPRYOYQBPVIY-KRWDZBQOSA-N 1 0 315.388 3.747 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(CC)(CC)CCO)cc1 ZINC000155339227 1036246422 /nfs/dbraw/zinc/24/64/22/1036246422.db2.gz MAUUILHXCVAGGQ-MRXNPFEDSA-N 1 0 306.494 3.982 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC001182423428 1036274164 /nfs/dbraw/zinc/27/41/64/1036274164.db2.gz DWWUEBPKOXWKDJ-CQSZACIVSA-N 1 0 316.420 3.627 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182424971 1036274657 /nfs/dbraw/zinc/27/46/57/1036274657.db2.gz XSDDGXBXGYMZTN-YVWKXTFCSA-N 1 0 318.505 3.929 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182424969 1036275768 /nfs/dbraw/zinc/27/57/68/1036275768.db2.gz XSDDGXBXGYMZTN-IMFGXOCKSA-N 1 0 318.505 3.929 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774379377 1036305239 /nfs/dbraw/zinc/30/52/39/1036305239.db2.gz OMPHMSHZAAHGKM-WOJBJXKFSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1C ZINC000774381546 1036306730 /nfs/dbraw/zinc/30/67/30/1036306730.db2.gz YPRMSHQROYBRLU-WBVHZDCISA-N 1 0 302.462 3.677 20 10 DHCDRO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774473389 1036354624 /nfs/dbraw/zinc/35/46/24/1036354624.db2.gz BCVDDZIKCQJOMY-OAHLLOKOSA-N 1 0 320.477 3.915 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1O ZINC000775676297 1036400359 /nfs/dbraw/zinc/40/03/59/1036400359.db2.gz PQIWMDBTJDQOPQ-MRXNPFEDSA-N 1 0 311.381 3.766 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000775686021 1036433075 /nfs/dbraw/zinc/43/30/75/1036433075.db2.gz BOQNBQORWQYEKN-CYBMUJFWSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cc(C)c(C[NH+]2CCC3(CCSCC3)CC2)c(O)c1 ZINC001183196684 1036541064 /nfs/dbraw/zinc/54/10/64/1036541064.db2.gz GGDUMHDBYYJYBT-UHFFFAOYSA-N 1 0 321.486 3.818 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001183641308 1036638510 /nfs/dbraw/zinc/63/85/10/1036638510.db2.gz BZXQANRPMXOFKD-KOMQPUFPSA-N 1 0 319.445 3.726 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000774658563 1036640810 /nfs/dbraw/zinc/64/08/10/1036640810.db2.gz NSBCJRLIPIMDBA-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC001184076293 1036730010 /nfs/dbraw/zinc/73/00/10/1036730010.db2.gz GEBNSBBINQTRPS-GOSISDBHSA-N 1 0 302.462 3.642 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1F ZINC000762459743 1036773259 /nfs/dbraw/zinc/77/32/59/1036773259.db2.gz GIFLHDOCBBVYNT-UHFFFAOYSA-N 1 0 322.468 3.965 20 10 DHCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC001184219518 1036774208 /nfs/dbraw/zinc/77/42/08/1036774208.db2.gz WCJGVPVNUIQQQY-KNTRFNDTSA-N 1 0 315.505 3.524 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762614039 1036873358 /nfs/dbraw/zinc/87/33/58/1036873358.db2.gz MFPADIDKLACWKT-KWCYVHTRSA-N 1 0 315.891 3.515 20 10 DHCDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc(N(C)C)cc1 ZINC000775833525 1036983419 /nfs/dbraw/zinc/98/34/19/1036983419.db2.gz CNMBGBRLRDMLAY-HNNXBMFYSA-N 1 0 322.456 3.533 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000238070164 1037037153 /nfs/dbraw/zinc/03/71/53/1037037153.db2.gz XPHKGLYGQNFBJB-UHFFFAOYSA-N 1 0 313.788 3.521 20 10 DHCDRO CN(Cc1cc(F)ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410665 1037050924 /nfs/dbraw/zinc/05/09/24/1037050924.db2.gz GBWHAGURQYZVEJ-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)Cc2cccc(OC)c2)c1O ZINC001203613708 1037089407 /nfs/dbraw/zinc/08/94/07/1037089407.db2.gz FYDYLJLZLMYTGM-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198706108 1037115319 /nfs/dbraw/zinc/11/53/19/1037115319.db2.gz NXJSMZZEAYNMFX-FQEVSTJZSA-N 1 0 310.441 3.716 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC001199412083 1037260354 /nfs/dbraw/zinc/26/03/54/1037260354.db2.gz FWMNALJVJLOBIM-ONEGZZNKSA-N 1 0 301.821 3.604 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c(O)c1 ZINC000775992872 1037292418 /nfs/dbraw/zinc/29/24/18/1037292418.db2.gz ZRMFDCJUSNFXNI-MRXNPFEDSA-N 1 0 318.442 3.893 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014805 1037296991 /nfs/dbraw/zinc/29/69/91/1037296991.db2.gz QNZSIFISLYBBKV-LJQANCHMSA-N 1 0 313.372 3.553 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776015641 1037308432 /nfs/dbraw/zinc/30/84/32/1037308432.db2.gz WCKRZJFGNVTTQT-WCQYABFASA-N 1 0 317.351 3.954 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000776015575 1037309358 /nfs/dbraw/zinc/30/93/58/1037309358.db2.gz WIQNNVIFMUJHHC-NRFANRHFSA-N 1 0 322.452 3.774 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000776011841 1037310041 /nfs/dbraw/zinc/31/00/41/1037310041.db2.gz BQKUTLYUACEXBR-SMDDNHRTSA-N 1 0 317.351 3.954 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCn2cnc3ccccc32)cc1C ZINC001199783745 1037337818 /nfs/dbraw/zinc/33/78/18/1037337818.db2.gz IHMNCIKPBNYTAG-UHFFFAOYSA-N 1 0 323.440 3.923 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000152512522 1037384237 /nfs/dbraw/zinc/38/42/37/1037384237.db2.gz FEDWJVNHMNLVSE-QZTJIDSGSA-N 1 0 323.484 3.930 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1F ZINC001200971315 1037480856 /nfs/dbraw/zinc/48/08/56/1037480856.db2.gz JYQFDKJMFGPDLT-KVSKMBFKSA-N 1 0 320.452 3.719 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cc1 ZINC000776167795 1037665555 /nfs/dbraw/zinc/66/55/55/1037665555.db2.gz OARWDCYOLDMDCU-IAGOWNOFSA-N 1 0 318.505 3.982 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1 ZINC000776169857 1037672337 /nfs/dbraw/zinc/67/23/37/1037672337.db2.gz XUAQEINDDNNJSI-YJBOKZPZSA-N 1 0 304.478 3.590 20 10 DHCDRO Cc1ccn2cc(CN(C)Cc3cc(Cl)ccc3O)nc2c1 ZINC001203665841 1037686133 /nfs/dbraw/zinc/68/61/33/1037686133.db2.gz XUJCCABGCBJXQH-UHFFFAOYSA-N 1 0 315.804 3.634 20 10 DHCDRO CCCN(Cc1ccc(Br)o1)c1ccc(C[NH3+])cc1 ZINC000775139631 1037699636 /nfs/dbraw/zinc/69/96/36/1037699636.db2.gz DKIRGFIZTFDRFO-UHFFFAOYSA-N 1 0 323.234 3.917 20 10 DHCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151182188 1037750113 /nfs/dbraw/zinc/75/01/13/1037750113.db2.gz KPADLYCHPHCECC-FUHWJXTLSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000763399079 1037817006 /nfs/dbraw/zinc/81/70/06/1037817006.db2.gz RREQMDIXXBQUKA-HNAYVOBHSA-N 1 0 304.478 3.735 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC001201919269 1037938530 /nfs/dbraw/zinc/93/85/30/1037938530.db2.gz CEYTYOMTFUNTDX-OAHLLOKOSA-N 1 0 319.788 3.668 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000153017704 1038035681 /nfs/dbraw/zinc/03/56/81/1038035681.db2.gz VQGXRHMOMDSCMD-SFHVURJKSA-N 1 0 318.486 3.592 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000776259081 1038100158 /nfs/dbraw/zinc/10/01/58/1038100158.db2.gz ZXKPKEAGPUCGLP-ZDUSSCGKSA-N 1 0 311.853 3.632 20 10 DHCDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164449325 1038191786 /nfs/dbraw/zinc/19/17/86/1038191786.db2.gz XHAVONWXRNRGLJ-AWEZNQCLSA-N 1 0 321.461 3.557 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1O ZINC000164473598 1038202881 /nfs/dbraw/zinc/20/28/81/1038202881.db2.gz MIKWNZJYNUCDAF-GOEBONIOSA-N 1 0 307.459 3.569 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000775360235 1038273097 /nfs/dbraw/zinc/27/30/97/1038273097.db2.gz BDHSLIXBCPJANO-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363170 1038275159 /nfs/dbraw/zinc/27/51/59/1038275159.db2.gz KZIJOAZNKCGTFG-LLVKDONJSA-N 1 0 305.403 3.573 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cc(C)cc(C)c2)c1 ZINC000775369411 1038283622 /nfs/dbraw/zinc/28/36/22/1038283622.db2.gz BKMAFBYPWODSAP-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000775372912 1038296523 /nfs/dbraw/zinc/29/65/23/1038296523.db2.gz XKNFSWJQUBCGFT-FUHWJXTLSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000775372914 1038297512 /nfs/dbraw/zinc/29/75/12/1038297512.db2.gz XKNFSWJQUBCGFT-SJLPKXTDSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001190436885 1038315647 /nfs/dbraw/zinc/31/56/47/1038315647.db2.gz NIQOAEUWZRVWCP-HKUYNNGSSA-N 1 0 304.478 3.514 20 10 DHCDRO Cc1cc(C[N@@H+]2CCN(C)c3ccccc3C2)ccc1N(C)C ZINC001190801610 1038385841 /nfs/dbraw/zinc/38/58/41/1038385841.db2.gz KBUHDEKDPDFHFO-UHFFFAOYSA-N 1 0 309.457 3.513 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccccc1OC)c1ccccc1O ZINC000775416754 1038397020 /nfs/dbraw/zinc/39/70/20/1038397020.db2.gz YZHJHYPWKYBHGX-OAHLLOKOSA-N 1 0 301.386 3.521 20 10 DHCDRO CC1(C)OC[C@@H](CC[N@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC001190905188 1038406876 /nfs/dbraw/zinc/40/68/76/1038406876.db2.gz WUJHRZHQNDEIAE-QGZVFWFLSA-N 1 0 319.445 3.678 20 10 DHCDRO CCc1cc(C[N@H+](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000057086378 1038558262 /nfs/dbraw/zinc/55/82/62/1038558262.db2.gz PKRNKAAEVMEEDJ-UHFFFAOYSA-N 1 0 315.461 3.618 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1O ZINC000775491153 1038560512 /nfs/dbraw/zinc/56/05/12/1038560512.db2.gz YXVUYWHPGGXMOK-MRXNPFEDSA-N 1 0 305.805 3.779 20 10 DHCDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1O ZINC000775491259 1038560840 /nfs/dbraw/zinc/56/08/40/1038560840.db2.gz GWRMTPDNTXOLSA-OAHLLOKOSA-N 1 0 307.825 3.763 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1OC)c1cc(Cl)ccc1O ZINC000775491175 1038562636 /nfs/dbraw/zinc/56/26/36/1038562636.db2.gz BJSKARFYOGKKQI-AWEZNQCLSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775508562 1038592458 /nfs/dbraw/zinc/59/24/58/1038592458.db2.gz CGPAIJBLJHDQNJ-ZFWWWQNUSA-N 1 0 309.793 3.721 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775506770 1038598711 /nfs/dbraw/zinc/59/87/11/1038598711.db2.gz DFXJWVWTYSFIRQ-AEFFLSMTSA-N 1 0 319.832 3.994 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cc(Cl)ccc1O ZINC000775531701 1038666811 /nfs/dbraw/zinc/66/68/11/1038666811.db2.gz MPNBXFKNBFSQBX-GDBMZVCRSA-N 1 0 311.853 3.883 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000760896116 1039038678 /nfs/dbraw/zinc/03/86/78/1039038678.db2.gz DMNAYJJNHJSTTE-OAHLLOKOSA-N 1 0 322.456 3.880 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Br)cc1 ZINC000226586723 1039727061 /nfs/dbraw/zinc/72/70/61/1039727061.db2.gz BBXHZXCDJYZUKP-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000169133771 1040336661 /nfs/dbraw/zinc/33/66/61/1040336661.db2.gz SLRFCCFETYUIMW-UZLBHIALSA-N 1 0 312.457 3.701 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000227713135 1040367103 /nfs/dbraw/zinc/36/71/03/1040367103.db2.gz BVXKRQHVKPKFAD-KGLIPLIRSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1cc(Cl)cc(CN2CCc3c(F)cccc3C2)c1O ZINC000761198412 1040563057 /nfs/dbraw/zinc/56/30/57/1040563057.db2.gz JFJNOFIVNRXPDG-UHFFFAOYSA-N 1 0 321.779 3.752 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CSc3ccccc32)c1O ZINC000761207610 1040591377 /nfs/dbraw/zinc/59/13/77/1040591377.db2.gz QVTHGDBGENPDHS-ZDUSSCGKSA-N 1 0 321.829 3.991 20 10 DHCDRO CCC[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccccc1O ZINC000174373941 1040623980 /nfs/dbraw/zinc/62/39/80/1040623980.db2.gz HXIPQUXEMCPNDC-UHFFFAOYSA-N 1 0 309.413 3.761 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000761216817 1040683943 /nfs/dbraw/zinc/68/39/43/1040683943.db2.gz YDAJAFUSWSXSNP-APPDUMDISA-N 1 0 307.340 3.536 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2F)c1O ZINC000228668787 1041046521 /nfs/dbraw/zinc/04/65/21/1041046521.db2.gz DPNHEFOJQKYGMO-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000076766935 185039577 /nfs/dbraw/zinc/03/95/77/185039577.db2.gz JOBLJOPYNWZXEC-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO COc1cccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1O ZINC000092670774 185333194 /nfs/dbraw/zinc/33/31/94/185333194.db2.gz RAHLRMHNAKSYED-UHFFFAOYSA-N 1 0 313.397 3.519 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)c1OC(F)F ZINC000091974426 193135399 /nfs/dbraw/zinc/13/53/99/193135399.db2.gz XGXHCIWOILISKG-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000093315652 193230432 /nfs/dbraw/zinc/23/04/32/193230432.db2.gz TYYZUKYYSNVFAJ-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(O)c1 ZINC000093438335 193251801 /nfs/dbraw/zinc/25/18/01/193251801.db2.gz LWIBWNCJEOFFAB-QGZVFWFLSA-N 1 0 315.417 3.631 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c(O)c1 ZINC000019233400 182111120 /nfs/dbraw/zinc/11/11/20/182111120.db2.gz REJNGCUASUNVPM-UKRRQHHQSA-N 1 0 304.459 3.716 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1O ZINC000022169315 182311816 /nfs/dbraw/zinc/31/18/16/182311816.db2.gz XBDUNJDNEQZDGP-CYBMUJFWSA-N 1 0 310.191 3.989 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864196 130069840 /nfs/dbraw/zinc/06/98/40/130069840.db2.gz NKPJJLPQIUBTFD-DZGCQCFKSA-N 1 0 314.433 3.512 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)c1c(F)cccc1F ZINC000272881234 130071094 /nfs/dbraw/zinc/07/10/94/130071094.db2.gz QNYWVCHVPKHJEL-GYOIFBIXSA-N 1 0 321.367 3.833 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496124 130129601 /nfs/dbraw/zinc/12/96/01/130129601.db2.gz PCWKBLWRJSAQSN-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1O ZINC000273511696 130130108 /nfs/dbraw/zinc/13/01/08/130130108.db2.gz RVNQIPWLFGDRHH-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)c1 ZINC000273530960 130133794 /nfs/dbraw/zinc/13/37/94/130133794.db2.gz WJMDWYWDHDXSDF-GUYCJALGSA-N 1 0 313.397 3.802 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)c1 ZINC000273530959 130134058 /nfs/dbraw/zinc/13/40/58/130134058.db2.gz WJMDWYWDHDXSDF-DYVFJYSZSA-N 1 0 313.397 3.802 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c(O)c1C ZINC000273567990 130138662 /nfs/dbraw/zinc/13/86/62/130138662.db2.gz KBGQGEGBFCIWHA-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287690 130224052 /nfs/dbraw/zinc/22/40/52/130224052.db2.gz ZSUKYJNJRFNVGD-GHMZBOCLSA-N 1 0 317.458 3.843 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CCO2 ZINC000274405987 130232287 /nfs/dbraw/zinc/23/22/87/130232287.db2.gz RBHOEMIZXJELLQ-GUYCJALGSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1O ZINC000274787302 130262705 /nfs/dbraw/zinc/26/27/05/130262705.db2.gz QPJAMTBZEWWTSL-YOKWENHESA-N 1 0 317.454 3.932 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O ZINC000274941677 130276242 /nfs/dbraw/zinc/27/62/42/130276242.db2.gz SZQLSQMNOLJBOP-GUYCJALGSA-N 1 0 324.424 3.713 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1 ZINC000284299160 131067783 /nfs/dbraw/zinc/06/77/83/131067783.db2.gz YMDTZEOXXMHDKS-SUMWQHHRSA-N 1 0 305.443 3.629 20 10 DHCDRO COc1cccc(C[NH2+]Cc2c(F)cccc2SC)c1O ZINC000285603614 131185543 /nfs/dbraw/zinc/18/55/43/131185543.db2.gz PSSVAWJALBQNRJ-UHFFFAOYSA-N 1 0 307.390 3.552 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000289423303 131385629 /nfs/dbraw/zinc/38/56/29/131385629.db2.gz BTDDVTMOEZIVQY-FQEVSTJZSA-N 1 0 323.436 3.884 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000291666298 131590596 /nfs/dbraw/zinc/59/05/96/131590596.db2.gz FUIOSJMZKGGJHX-SJCJKPOMSA-N 1 0 303.427 3.554 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1OC ZINC000293700073 131760460 /nfs/dbraw/zinc/76/04/60/131760460.db2.gz LHEBZQKUGDXDHC-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000297229035 132005422 /nfs/dbraw/zinc/00/54/22/132005422.db2.gz HSTRIKOUSBVDPZ-VXGBXAGGSA-N 1 0 305.340 3.709 20 10 DHCDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000176981942 332966555 /nfs/dbraw/zinc/96/65/55/332966555.db2.gz QTCNMUARIWDPHM-NWDGAFQWSA-N 1 0 316.376 3.902 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc1 ZINC000178716330 333142729 /nfs/dbraw/zinc/14/27/29/333142729.db2.gz XOZJUJQUSNEMHT-KGLIPLIRSA-N 1 0 300.450 3.596 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719119 333142992 /nfs/dbraw/zinc/14/29/92/333142992.db2.gz ARKYVSVACXWMGV-SCLBCKFNSA-N 1 0 300.450 3.596 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(F)ccc1O ZINC000185262396 333206422 /nfs/dbraw/zinc/20/64/22/333206422.db2.gz LPXLCTSABLXJGK-GFCCVEGCSA-N 1 0 316.376 3.566 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630172 333210767 /nfs/dbraw/zinc/21/07/67/333210767.db2.gz DOFMKLNRCAKQAI-RISCZKNCSA-N 1 0 309.793 3.985 20 10 DHCDRO C[C@H](CCCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294817346 335127935 /nfs/dbraw/zinc/12/79/35/335127935.db2.gz QEMFVTIPXANOOU-VQIMIIECSA-N 1 0 313.441 3.817 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000294986468 335129607 /nfs/dbraw/zinc/12/96/07/335129607.db2.gz KFFGXSSTJZIFCK-AAEUAGOBSA-N 1 0 317.351 3.954 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119700979 333256900 /nfs/dbraw/zinc/25/69/00/333256900.db2.gz DNHRTZVSIAWRCI-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC000184708098 333365838 /nfs/dbraw/zinc/36/58/38/333365838.db2.gz WQTGLADWZDREGU-UHFFFAOYSA-N 1 0 312.822 3.536 20 10 DHCDRO C[C@H](O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296734314 335147931 /nfs/dbraw/zinc/14/79/31/335147931.db2.gz JSYKRYLWZYWUKX-HNNXBMFYSA-N 1 0 318.486 3.635 20 10 DHCDRO OCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297255788 335152191 /nfs/dbraw/zinc/15/21/91/335152191.db2.gz JRDGOKLSCPKTPP-HOTGVXAUSA-N 1 0 317.816 3.746 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464523 334047594 /nfs/dbraw/zinc/04/75/94/334047594.db2.gz IEUWGZNNKYQRIC-WMZOPIPTSA-N 1 0 301.361 3.541 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cn1 ZINC000276424314 334077967 /nfs/dbraw/zinc/07/79/67/334077967.db2.gz XRUUBPOANWQPQA-UHFFFAOYSA-N 1 0 313.420 3.843 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(F)ccc1O ZINC000289802821 334167883 /nfs/dbraw/zinc/16/78/83/334167883.db2.gz OBICEHQREPUDFK-GTNSWQLSSA-N 1 0 321.417 3.732 20 10 DHCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc2ccccc2c1O ZINC000289802834 334168091 /nfs/dbraw/zinc/16/80/91/334168091.db2.gz OBJVPGBMXVRDOW-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000355105387 336494758 /nfs/dbraw/zinc/49/47/58/336494758.db2.gz AAOQKCLLVVGEAT-LZQZEXGQSA-N 1 0 310.441 3.534 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000367656652 336827448 /nfs/dbraw/zinc/82/74/48/336827448.db2.gz DYCBUXVCGIZSMH-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235398 336840963 /nfs/dbraw/zinc/84/09/63/336840963.db2.gz OSXKGUOMJPTOMD-WFASDCNBSA-N 1 0 301.361 3.932 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)c2ccccc21 ZINC000370374500 336883717 /nfs/dbraw/zinc/88/37/17/336883717.db2.gz ODFABDUWNNKRBK-KBXCAEBGSA-N 1 0 324.424 3.849 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000391359414 336957454 /nfs/dbraw/zinc/95/74/54/336957454.db2.gz WIRGXMUINZBCAY-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000374496023 336990521 /nfs/dbraw/zinc/99/05/21/336990521.db2.gz KPGFYZWKIDENPQ-UYAOXDASSA-N 1 0 310.441 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563427 337036897 /nfs/dbraw/zinc/03/68/97/337036897.db2.gz TXIHYYSBJCCKDL-GJZGRUSLSA-N 1 0 307.397 3.990 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000377398067 337051919 /nfs/dbraw/zinc/05/19/19/337051919.db2.gz LLDPSXSRFFMCJA-VOJFVSQTSA-N 1 0 317.360 3.542 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000377406537 337052070 /nfs/dbraw/zinc/05/20/70/337052070.db2.gz AVIDGPNZANHNHP-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695794 337058740 /nfs/dbraw/zinc/05/87/40/337058740.db2.gz IJNLBZSDBITIPL-KBAYOESNSA-N 1 0 315.388 3.790 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000378132887 337066997 /nfs/dbraw/zinc/06/69/97/337066997.db2.gz YBTRDVDNJYYBRI-UHFFFAOYSA-N 1 0 314.385 3.945 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC000378439665 337072741 /nfs/dbraw/zinc/07/27/41/337072741.db2.gz STQDMIKJAFAPLH-ZDUSSCGKSA-N 1 0 317.820 3.524 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@]2(C)c2cccs2)c1O ZINC000360091364 337085234 /nfs/dbraw/zinc/08/52/34/337085234.db2.gz CHRGRESGAMAIFT-GUYCJALGSA-N 1 0 303.427 3.530 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000179564998 337170326 /nfs/dbraw/zinc/17/03/26/337170326.db2.gz QECAKIBKHWFQKS-UHFFFAOYSA-N 1 0 301.361 3.575 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000179962055 337172773 /nfs/dbraw/zinc/17/27/73/337172773.db2.gz RCASTRHNKZBIFO-UHFFFAOYSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000180392155 337174032 /nfs/dbraw/zinc/17/40/32/337174032.db2.gz MPTIFMWBJNXCJN-KBXCAEBGSA-N 1 0 323.440 3.529 20 10 DHCDRO Cc1cc(O)c(CN2CCSC[C@@H]2c2nccs2)cc1C ZINC000184877953 337200657 /nfs/dbraw/zinc/20/06/57/337200657.db2.gz TWTHPYFWHBZMLP-CQSZACIVSA-N 1 0 320.483 3.756 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(F)ccc1O ZINC000185125659 337203252 /nfs/dbraw/zinc/20/32/52/337203252.db2.gz DSBURKFSBQRAAM-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000186176088 337254172 /nfs/dbraw/zinc/25/41/72/337254172.db2.gz PCJAHJLJCNAIQF-AHIWAGSCSA-N 1 0 313.397 3.616 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C)c1O)CCO2 ZINC000187589130 337267143 /nfs/dbraw/zinc/26/71/43/337267143.db2.gz BYTSTBCWWKZGKH-QGZVFWFLSA-N 1 0 313.397 3.713 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000188950141 337276864 /nfs/dbraw/zinc/27/68/64/337276864.db2.gz OSCAIXWGBIQEDS-KRWDZBQOSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000102432865 337386277 /nfs/dbraw/zinc/38/62/77/337386277.db2.gz BXMLDEPIIRYRDQ-UHFFFAOYSA-N 1 0 314.404 3.593 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000248541659 337564409 /nfs/dbraw/zinc/56/44/09/337564409.db2.gz CBDRYYUHWUMERX-CYGHRXIMSA-N 1 0 301.430 3.781 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc2ccccc2c1O ZINC000248486368 337565584 /nfs/dbraw/zinc/56/55/84/337565584.db2.gz FPOQNONDJVNYHX-CJMONDIMSA-N 1 0 319.404 3.854 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000248941379 337568860 /nfs/dbraw/zinc/56/88/60/337568860.db2.gz YUELIGINQHCTNR-NZSAHSFTSA-N 1 0 302.462 3.751 20 10 DHCDRO COC(=O)c1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000475197341 339441147 /nfs/dbraw/zinc/44/11/47/339441147.db2.gz MHGNDXVJIQYWDS-UHFFFAOYSA-N 1 0 322.408 3.563 20 10 DHCDRO Cc1nc2ccccn2c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475200339 339441221 /nfs/dbraw/zinc/44/12/21/339441221.db2.gz YXNHQXATWYLWQE-UHFFFAOYSA-N 1 0 318.424 3.733 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c(OC)c1 ZINC000273306092 341634929 /nfs/dbraw/zinc/63/49/29/341634929.db2.gz CWJBWSITBBSDJK-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000273398514 341635517 /nfs/dbraw/zinc/63/55/17/341635517.db2.gz MQNHHOZFHQVCEV-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000273398512 341635549 /nfs/dbraw/zinc/63/55/49/341635549.db2.gz MQNHHOZFHQVCEV-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364405345 520910709 /nfs/dbraw/zinc/91/07/09/520910709.db2.gz WZWRUDGXJVIGPJ-LAUBAEHRSA-N 1 0 324.468 3.843 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2OC)c1 ZINC000191634033 521150878 /nfs/dbraw/zinc/15/08/78/521150878.db2.gz DTJAZOPUJNTKMZ-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CCOC1CC(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000188790820 521645222 /nfs/dbraw/zinc/64/52/22/521645222.db2.gz IIPKBVRDCQRVMJ-UHFFFAOYSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000156231318 522612333 /nfs/dbraw/zinc/61/23/33/522612333.db2.gz VUESBMJBWKSLIM-BBRMVZONSA-N 1 0 310.397 3.559 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000127081308 522613533 /nfs/dbraw/zinc/61/35/33/522613533.db2.gz HLUOVHOPCGSMTM-DOTOQJQBSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161980840 522727493 /nfs/dbraw/zinc/72/74/93/522727493.db2.gz WJUZOHCMDPTQOD-FJIDUMEYSA-N 1 0 302.462 3.607 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000156443785 522839811 /nfs/dbraw/zinc/83/98/11/522839811.db2.gz UXJLCVFAAKDOBX-GDBMZVCRSA-N 1 0 310.397 3.559 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000183331130 522863318 /nfs/dbraw/zinc/86/33/18/522863318.db2.gz PXRNJFJTXHYEOH-WBVHZDCISA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C2CCOCC2)CC1 ZINC000368797993 523104330 /nfs/dbraw/zinc/10/43/30/523104330.db2.gz PTSNOYYFYPPBEI-SFHVURJKSA-N 1 0 303.446 3.982 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000180231772 524734635 /nfs/dbraw/zinc/73/46/35/524734635.db2.gz DFTLZOJLEMKZNL-OAHLLOKOSA-N 1 0 318.442 3.675 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000188060557 524766625 /nfs/dbraw/zinc/76/66/25/524766625.db2.gz NCQTZFJVCGEZAF-BZNIZROVSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000182413683 524766741 /nfs/dbraw/zinc/76/67/41/524766741.db2.gz NCOMESDWYUPSHN-SNVBAGLBSA-N 1 0 304.415 3.586 20 10 DHCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000161496699 525292397 /nfs/dbraw/zinc/29/23/97/525292397.db2.gz YIYHWTIOPYNGTE-KRWDZBQOSA-N 1 0 315.505 3.812 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1C ZINC000180881078 525323221 /nfs/dbraw/zinc/32/32/21/525323221.db2.gz YIFSZEJWCPUIKC-UHFFFAOYSA-N 1 0 314.429 3.871 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179879849 525340075 /nfs/dbraw/zinc/34/00/75/525340075.db2.gz JAWTUTNFSRJLLR-UHFFFAOYSA-N 1 0 309.409 3.796 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1O ZINC000157591894 525488908 /nfs/dbraw/zinc/48/89/08/525488908.db2.gz ZMUDOIZLLBGOSK-SJKOYZFVSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178425074 525502039 /nfs/dbraw/zinc/50/20/39/525502039.db2.gz JJIFEJDCPSQBHE-HZPDHXFCSA-N 1 0 320.452 3.893 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178024324 525548144 /nfs/dbraw/zinc/54/81/44/525548144.db2.gz DUOURBBHPYGVJD-CYBMUJFWSA-N 1 0 320.433 3.575 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000269052631 525595832 /nfs/dbraw/zinc/59/58/32/525595832.db2.gz ZVRVRIGULKUUFI-LSDHHAIUSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000163822899 525622760 /nfs/dbraw/zinc/62/27/60/525622760.db2.gz JGNUWIKAZLLLIN-CVEARBPZSA-N 1 0 312.461 3.822 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000157746743 525645783 /nfs/dbraw/zinc/64/57/83/525645783.db2.gz ZPUQMEWBMFHFMB-DUXSXAKTSA-N 1 0 315.457 3.879 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091810 525935087 /nfs/dbraw/zinc/93/50/87/525935087.db2.gz PSIOSHHKCDUGGU-HOTGVXAUSA-N 1 0 314.429 3.836 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365664663 526346043 /nfs/dbraw/zinc/34/60/43/526346043.db2.gz WJJFBCCQXBZUJX-JKSUJKDBSA-N 1 0 307.821 3.579 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365664662 526346325 /nfs/dbraw/zinc/34/63/25/526346325.db2.gz WJJFBCCQXBZUJX-HZPDHXFCSA-N 1 0 307.821 3.579 20 10 DHCDRO O=C(c1cccs1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000371465147 526835507 /nfs/dbraw/zinc/83/55/07/526835507.db2.gz AERIWCJXMPQBAJ-UHFFFAOYSA-N 1 0 301.411 3.549 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160531262 527585035 /nfs/dbraw/zinc/58/50/35/527585035.db2.gz RSHDFBNYYPVVEM-CQSZACIVSA-N 1 0 314.477 3.863 20 10 DHCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753851 534946169 /nfs/dbraw/zinc/94/61/69/534946169.db2.gz QMGBDPASPOCDSI-BBRMVZONSA-N 1 0 310.869 3.818 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000285172113 535397068 /nfs/dbraw/zinc/39/70/68/535397068.db2.gz QJVOTHUZUAORKZ-UHFFFAOYSA-N 1 0 311.425 3.936 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c1 ZINC000272355854 535751489 /nfs/dbraw/zinc/75/14/89/535751489.db2.gz VOMILTRCPIDSQX-INIZCTEOSA-N 1 0 319.401 3.560 20 10 DHCDRO CCOC1CC(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000285869074 535752458 /nfs/dbraw/zinc/75/24/58/535752458.db2.gz DWLROGLHQFNLDX-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(OC)c(OC)c1 ZINC000289359474 535805475 /nfs/dbraw/zinc/80/54/75/535805475.db2.gz KDYPYEDCOUPXNV-OAHLLOKOSA-N 1 0 319.376 3.789 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286346348 535895098 /nfs/dbraw/zinc/89/50/98/535895098.db2.gz YOSGXFJVRLYLMN-INIZCTEOSA-N 1 0 308.441 3.835 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287232940 535931192 /nfs/dbraw/zinc/93/11/92/535931192.db2.gz YIEAZXCPILFGFY-ROUUACIJSA-N 1 0 316.420 3.875 20 10 DHCDRO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cs1 ZINC000273584263 536513412 /nfs/dbraw/zinc/51/34/12/536513412.db2.gz NIFMTIVLYPFZHE-NWDGAFQWSA-N 1 0 306.431 3.715 20 10 DHCDRO COC1(C)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000272324053 536563786 /nfs/dbraw/zinc/56/37/86/536563786.db2.gz BQALZOPRIFLLER-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000273367189 536732164 /nfs/dbraw/zinc/73/21/64/536732164.db2.gz FFMXASKPDGBQAK-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO COC1CCN(c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000296666881 536755437 /nfs/dbraw/zinc/75/54/37/536755437.db2.gz YZOCXNXFKSUOFQ-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1Cl ZINC000297101078 536898275 /nfs/dbraw/zinc/89/82/75/536898275.db2.gz XRWYFAUGJMNVSO-CQSZACIVSA-N 1 0 303.789 3.831 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741898 1013311431 /nfs/dbraw/zinc/31/14/31/1013311431.db2.gz FDIWZJUCZRIATK-UHFFFAOYSA-N 1 0 310.441 3.511 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)cc1 ZINC000247044904 1013324415 /nfs/dbraw/zinc/32/44/15/1013324415.db2.gz LXAMSZQLWORVFT-CJNGLKHVSA-N 1 0 310.532 3.642 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000894491205 1013387985 /nfs/dbraw/zinc/38/79/85/1013387985.db2.gz LESNXOYQGBYNSA-AAEUAGOBSA-N 1 0 317.351 3.872 20 10 DHCDRO COc1cccc(Cl)c1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894542943 1013412369 /nfs/dbraw/zinc/41/23/69/1013412369.db2.gz MQLUYMHYLVISNZ-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000177635316 1013828149 /nfs/dbraw/zinc/82/81/49/1013828149.db2.gz RDVUWPSOAMDBNZ-OAHLLOKOSA-N 1 0 305.462 3.857 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC000275945456 1014328835 /nfs/dbraw/zinc/32/88/35/1014328835.db2.gz IRQNJGPDBNXZLW-WGSAOQKQSA-N 1 0 311.425 3.795 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000280833876 1014392863 /nfs/dbraw/zinc/39/28/63/1014392863.db2.gz XJJGOOCDCJRTLG-SAZUREKKSA-N 1 0 301.361 3.576 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccccc2OCC(C)C)c(O)c1 ZINC000237248012 1014924191 /nfs/dbraw/zinc/92/41/91/1014924191.db2.gz CUBKAQAIRRXDHW-UHFFFAOYSA-N 1 0 315.413 3.725 20 10 DHCDRO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000157824216 1015071531 /nfs/dbraw/zinc/07/15/31/1015071531.db2.gz HTNCZTGPCOVZOT-OAHLLOKOSA-N 1 0 316.470 3.778 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ocnc2C)c(C)n1-c1cccc(C)c1 ZINC000895404940 1015135243 /nfs/dbraw/zinc/13/52/43/1015135243.db2.gz IAKRUHHUSREQGN-UHFFFAOYSA-N 1 0 309.413 3.989 20 10 DHCDRO CC[C@@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000738081765 1015159085 /nfs/dbraw/zinc/15/90/85/1015159085.db2.gz ODWDICSDGCSKOW-CQSZACIVSA-N 1 0 311.381 3.902 20 10 DHCDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CCCCO3)CC2)cc1F ZINC000895655009 1015241882 /nfs/dbraw/zinc/24/18/82/1015241882.db2.gz AVGOCUWSNRTEQB-UHFFFAOYSA-N 1 0 324.415 3.566 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(O)c1OC ZINC000891498657 1015327954 /nfs/dbraw/zinc/32/79/54/1015327954.db2.gz KRSRJIVLVMAHRL-CYBMUJFWSA-N 1 0 319.426 3.808 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178229085 1015492534 /nfs/dbraw/zinc/49/25/34/1015492534.db2.gz QOIDQMYPCSWBOX-LSDHHAIUSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178269221 1015542614 /nfs/dbraw/zinc/54/26/14/1015542614.db2.gz PNJMQXMCMHJGRW-AWEZNQCLSA-N 1 0 306.425 3.646 20 10 DHCDRO COc1ccc(C[N@H+](C)C[C@@H](C)c2ccccc2)c(O)c1OC ZINC000891916753 1015755857 /nfs/dbraw/zinc/75/58/57/1015755857.db2.gz OLNMNULLHSUMME-CQSZACIVSA-N 1 0 315.413 3.645 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2cnc3ccccc3c2)c1O ZINC000896832693 1015764000 /nfs/dbraw/zinc/76/40/00/1015764000.db2.gz RTPKPHDLOIRRRX-UHFFFAOYSA-N 1 0 322.408 3.590 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(O)c1OC ZINC000892049870 1016156773 /nfs/dbraw/zinc/15/67/73/1016156773.db2.gz NUMMYPRBCCBYIK-LJQANCHMSA-N 1 0 317.429 3.732 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(O)c1OC ZINC000892049869 1016156882 /nfs/dbraw/zinc/15/68/82/1016156882.db2.gz NUMMYPRBCCBYIK-IBGZPJMESA-N 1 0 317.429 3.732 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000184835116 1016390141 /nfs/dbraw/zinc/39/01/41/1016390141.db2.gz IWAHDZNWYUXVQV-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000184855370 1016406428 /nfs/dbraw/zinc/40/64/28/1016406428.db2.gz LJOXSJPBQPALNJ-JLTOFOAXSA-N 1 0 311.425 3.655 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000184955187 1016459643 /nfs/dbraw/zinc/45/96/43/1016459643.db2.gz YGESTEVWSZUWII-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000185033868 1016524144 /nfs/dbraw/zinc/52/41/44/1016524144.db2.gz SFEYHNRYNCQKNB-GJZGRUSLSA-N 1 0 308.441 3.837 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COc2cccc(C)c2)c1 ZINC000185103828 1016565084 /nfs/dbraw/zinc/56/50/84/1016565084.db2.gz FYOAZPXZIGZOSC-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@@H]1CCCN(c2ccc(CNCc3ncc[nH]3)cc2Cl)C1 ZINC000281959362 1016836099 /nfs/dbraw/zinc/83/60/99/1016836099.db2.gz JHKLSDFCWPJTDH-CYBMUJFWSA-N 1 0 318.852 3.589 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(F)ccc1O ZINC000185323570 1016860968 /nfs/dbraw/zinc/86/09/68/1016860968.db2.gz VTRMPCXXWJBQHA-GFCCVEGCSA-N 1 0 317.360 3.543 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc2ccccc2c1O ZINC000185513393 1016954283 /nfs/dbraw/zinc/95/42/83/1016954283.db2.gz XLMIRFSSAQPEFM-YVEFUNNKSA-N 1 0 313.422 3.991 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)c1 ZINC000185572998 1017017888 /nfs/dbraw/zinc/01/78/88/1017017888.db2.gz RVGLTRXUJGYCCL-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1 ZINC000185568568 1017014115 /nfs/dbraw/zinc/01/41/15/1017014115.db2.gz DRSZVIMOPYKELX-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1 ZINC000185576100 1017019320 /nfs/dbraw/zinc/01/93/20/1017019320.db2.gz VTTPWEFYYFNCEV-KGLIPLIRSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185579908 1017029238 /nfs/dbraw/zinc/02/92/38/1017029238.db2.gz MIUVIYQNSQWBBU-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@H]([NH2+]CCc1cscn1)c1cc2c(cc1O)CCCC2 ZINC000185817133 1017244568 /nfs/dbraw/zinc/24/45/68/1017244568.db2.gz KMHMAGAUDQPWKS-LBPRGKRZSA-N 1 0 302.443 3.621 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772978619 1032256954 /nfs/dbraw/zinc/25/69/54/1032256954.db2.gz GVZSLAPQMOKCDX-FOIQADDNSA-N 1 0 310.441 3.717 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000192837661 1017073384 /nfs/dbraw/zinc/07/33/84/1017073384.db2.gz KYQMAFKEMAHFKX-KBPBESRZSA-N 1 0 315.413 3.778 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660530 1017077970 /nfs/dbraw/zinc/07/79/70/1017077970.db2.gz TWPAHQRLDRTZAG-ZDUSSCGKSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000772984746 1032336000 /nfs/dbraw/zinc/33/60/00/1032336000.db2.gz PYJVINBZDJEMGQ-INIZCTEOSA-N 1 0 303.789 3.831 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1O ZINC001171330430 1032391059 /nfs/dbraw/zinc/39/10/59/1032391059.db2.gz BZPVPQGPRJCLSE-CQSZACIVSA-N 1 0 305.393 3.746 20 10 DHCDRO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc2ccccc2c1O ZINC000282778932 1032488002 /nfs/dbraw/zinc/48/80/02/1032488002.db2.gz PKUMTEVZJYHKFS-CYBMUJFWSA-N 1 0 324.428 3.743 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c(O)c1 ZINC000192846870 1017094861 /nfs/dbraw/zinc/09/48/61/1017094861.db2.gz KPFKGNCQIBQHBG-CHWSQXEVSA-N 1 0 313.401 3.603 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000840880207 1017301519 /nfs/dbraw/zinc/30/15/19/1017301519.db2.gz JHSHYCBEAAWSFE-MAUKXSAKSA-N 1 0 317.404 3.657 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1O ZINC001171345633 1032507119 /nfs/dbraw/zinc/50/71/19/1032507119.db2.gz LSOMURQLJQKYOT-RISCZKNCSA-N 1 0 303.352 3.879 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(N(C)C)cc1 ZINC000773045976 1032540362 /nfs/dbraw/zinc/54/03/62/1032540362.db2.gz KMYIYGCKUKNLDO-IAGOWNOFSA-N 1 0 318.486 3.897 20 10 DHCDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000773080933 1032551866 /nfs/dbraw/zinc/55/18/66/1032551866.db2.gz OAHHYKOVYSCSQO-KVSKMBFKSA-N 1 0 304.478 3.735 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382777 1032558261 /nfs/dbraw/zinc/55/82/61/1032558261.db2.gz DYMSXDUEMIYBQN-HNNXBMFYSA-N 1 0 303.352 3.660 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773105532 1032560828 /nfs/dbraw/zinc/56/08/28/1032560828.db2.gz HRSODDIBZQTWJH-NHCUHLMSSA-N 1 0 323.484 3.980 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000773104442 1032560880 /nfs/dbraw/zinc/56/08/80/1032560880.db2.gz SGFYYDVGNKGFMF-KKSFZXQISA-N 1 0 324.468 3.627 20 10 DHCDRO Cc1cc(NCc2cc3ccccc3cc2O)nc2c1C[NH2+]CC2 ZINC001171400261 1032586872 /nfs/dbraw/zinc/58/68/72/1032586872.db2.gz QUEKGXYUZAKDTB-UHFFFAOYSA-N 1 0 319.408 3.507 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cc(F)ccc2SC)c1O ZINC000894307308 1012511924 /nfs/dbraw/zinc/51/19/24/1012511924.db2.gz FMHWHPSPGAQGLA-UHFFFAOYSA-N 1 0 321.417 3.860 20 10 DHCDRO CCOc1cc(C)ccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894332756 1012838943 /nfs/dbraw/zinc/83/89/43/1012838943.db2.gz QTXKOMCDTZDGOC-UHFFFAOYSA-N 1 0 315.413 3.706 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@H]3CCOC3)C1)CCC2 ZINC000773260615 1032665406 /nfs/dbraw/zinc/66/54/06/1032665406.db2.gz YLSXOGYRNSIUGQ-HZPDHXFCSA-N 1 0 315.457 3.520 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3c(F)cccc3C2)cc1 ZINC001171440436 1032685999 /nfs/dbraw/zinc/68/59/99/1032685999.db2.gz JCFXSTOVZJIQAW-GOSISDBHSA-N 1 0 312.432 3.881 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857854073 1032690514 /nfs/dbraw/zinc/69/05/14/1032690514.db2.gz IPCREHNVGWLDIJ-IBGZPJMESA-N 1 0 324.472 3.813 20 10 DHCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(C)c2O)cc1 ZINC000783603676 1017518465 /nfs/dbraw/zinc/51/84/65/1017518465.db2.gz VRMUWAYANCFBAU-UHFFFAOYSA-N 1 0 319.832 3.657 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000840948537 1017534105 /nfs/dbraw/zinc/53/41/05/1017534105.db2.gz JHOKJBSMRPFSSA-UHFFFAOYSA-N 1 0 309.457 3.836 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000119106757 1017551938 /nfs/dbraw/zinc/55/19/38/1017551938.db2.gz OKUKTIKMEYAAOM-HRAATJIYSA-N 1 0 322.452 3.861 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000125750078 1032718063 /nfs/dbraw/zinc/71/80/63/1032718063.db2.gz TXUOSRXFBBHYIY-UHFFFAOYSA-N 1 0 320.820 3.861 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)c2cccnc2)cc1 ZINC000840975144 1017726872 /nfs/dbraw/zinc/72/68/72/1017726872.db2.gz LSXVGPVMKCEIFK-FNORWQNLSA-N 1 0 309.457 3.728 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)cc1 ZINC000021995163 1018047050 /nfs/dbraw/zinc/04/70/50/1018047050.db2.gz UUQLSMQERQMLRK-UHFFFAOYSA-N 1 0 321.424 3.638 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858016633 1032747724 /nfs/dbraw/zinc/74/77/24/1032747724.db2.gz NVSLNORWMCOFBJ-GOSISDBHSA-N 1 0 324.424 3.626 20 10 DHCDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764810250 1018388527 /nfs/dbraw/zinc/38/85/27/1018388527.db2.gz PUIXVQQSYHHFFJ-SFHVURJKSA-N 1 0 315.505 3.813 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOCC1CCC1 ZINC000764975888 1018438495 /nfs/dbraw/zinc/43/84/95/1018438495.db2.gz BJPWWQMZAZQAHF-UHFFFAOYSA-N 1 0 311.425 3.966 20 10 DHCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1C ZINC000764979128 1018441996 /nfs/dbraw/zinc/44/19/96/1018441996.db2.gz KVWOPARIWDNFFT-SFHVURJKSA-N 1 0 319.832 3.654 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)c1O ZINC001171520699 1032766920 /nfs/dbraw/zinc/76/69/20/1032766920.db2.gz PAQMAODSPMULRE-CYBMUJFWSA-N 1 0 321.342 3.765 20 10 DHCDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000765119204 1018477483 /nfs/dbraw/zinc/47/74/83/1018477483.db2.gz TUKIUQNHHZDQRW-ZNMIVQPWSA-N 1 0 308.441 3.573 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000178885872 1018481172 /nfs/dbraw/zinc/48/11/72/1018481172.db2.gz ZTTOQWJNDMBUOF-SFHVURJKSA-N 1 0 315.388 3.722 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765126129 1018483092 /nfs/dbraw/zinc/48/30/92/1018483092.db2.gz IMWHAWRMLCQAKT-IYOUNJFTSA-N 1 0 320.452 3.718 20 10 DHCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000131096255 1018506781 /nfs/dbraw/zinc/50/67/81/1018506781.db2.gz KOJWVBOMXDGJHN-JTQLQIEISA-N 1 0 310.191 3.941 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000077460689 1018589427 /nfs/dbraw/zinc/58/94/27/1018589427.db2.gz XGZOVJHYNNRNKE-GOSISDBHSA-N 1 0 318.486 3.592 20 10 DHCDRO CCc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])o1 ZINC000278452314 1018707548 /nfs/dbraw/zinc/70/75/48/1018707548.db2.gz YARMNNAOXCLKDP-UHFFFAOYSA-N 1 0 310.191 3.600 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1C ZINC000278463469 1018716754 /nfs/dbraw/zinc/71/67/54/1018716754.db2.gz MWRVXLAHLWJTCE-NSHDSACASA-N 1 0 323.330 3.577 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765254571 1018737212 /nfs/dbraw/zinc/73/72/12/1018737212.db2.gz NNQCJOUBSUOJEN-LPHOPBHVSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328374 1018757435 /nfs/dbraw/zinc/75/74/35/1018757435.db2.gz FHHDVVPJPOMHMF-HUUCEWRRSA-N 1 0 316.470 3.997 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CCC1(F)CCC1 ZINC000706812852 1018763565 /nfs/dbraw/zinc/76/35/65/1018763565.db2.gz DGDHBQGERJQIMH-UHFFFAOYSA-N 1 0 302.187 3.527 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1 ZINC000765423300 1018780633 /nfs/dbraw/zinc/78/06/33/1018780633.db2.gz GLRNLSWPBKRWFW-STQMWFEESA-N 1 0 318.383 3.761 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000765442094 1018791329 /nfs/dbraw/zinc/79/13/29/1018791329.db2.gz RHIKLBCXCAJCEX-IAGOWNOFSA-N 1 0 303.494 3.524 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)ccc21 ZINC000765481745 1018810730 /nfs/dbraw/zinc/81/07/30/1018810730.db2.gz QQAMKTCSPLTQIS-KRWDZBQOSA-N 1 0 302.462 3.505 20 10 DHCDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000186486957 1018848527 /nfs/dbraw/zinc/84/85/27/1018848527.db2.gz WTUKIDDOWHEWKJ-OAHLLOKOSA-N 1 0 322.456 3.533 20 10 DHCDRO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc2c(cc1O)CCC2 ZINC001116781053 1018857535 /nfs/dbraw/zinc/85/75/35/1018857535.db2.gz PUXZCILHWPNOGQ-UHFFFAOYSA-N 1 0 303.352 3.791 20 10 DHCDRO [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001137841912 1018859005 /nfs/dbraw/zinc/85/90/05/1018859005.db2.gz ZJNBWMIVRHFYMO-OAHLLOKOSA-N 1 0 303.352 3.878 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1F ZINC000858173009 1032790591 /nfs/dbraw/zinc/79/05/91/1032790591.db2.gz NTVZLOHDAWMQMJ-CYBMUJFWSA-N 1 0 323.214 3.704 20 10 DHCDRO c1cc2c(cc1CNC1CC[NH+](C3CCCC3)CC1)CCCO2 ZINC000921816178 1018899594 /nfs/dbraw/zinc/89/95/94/1018899594.db2.gz NADHKIJKRGTKPE-UHFFFAOYSA-N 1 0 314.473 3.508 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858182802 1032793364 /nfs/dbraw/zinc/79/33/64/1032793364.db2.gz IMEAYLZIAUKLCI-VZJWBNGJSA-N 1 0 314.473 3.546 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000282529642 1018913180 /nfs/dbraw/zinc/91/31/80/1018913180.db2.gz VFCREGWGSMDHEY-KDOFPFPSSA-N 1 0 312.461 3.604 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)[C@@H]1SC ZINC000842922718 1018919035 /nfs/dbraw/zinc/91/90/35/1018919035.db2.gz CJTJGFGEMRUMGT-FFFUXKDYSA-N 1 0 315.866 3.605 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000825768616 1032798180 /nfs/dbraw/zinc/79/81/80/1032798180.db2.gz SMOPBSZSDQOOSD-ZDUSSCGKSA-N 1 0 302.805 3.739 20 10 DHCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765631597 1019014983 /nfs/dbraw/zinc/01/49/83/1019014983.db2.gz STPRMKFSZAOOQW-GJZGRUSLSA-N 1 0 308.441 3.892 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766160755 1019035384 /nfs/dbraw/zinc/03/53/84/1019035384.db2.gz COSNNSPHCQBEJS-LPHOPBHVSA-N 1 0 304.478 3.999 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843431850 1019040274 /nfs/dbraw/zinc/04/02/74/1019040274.db2.gz KKRWMGZNHRBCRV-ZDUSSCGKSA-N 1 0 309.837 3.745 20 10 DHCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C3CCOCC3)cc2Cl)C1 ZINC000800275386 1019053284 /nfs/dbraw/zinc/05/32/84/1019053284.db2.gz BDFCYFVYLBLUFI-AWEZNQCLSA-N 1 0 322.880 3.845 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167141 1019098865 /nfs/dbraw/zinc/09/88/65/1019098865.db2.gz SFNBUTQWFHCCRZ-JENIJYKNSA-N 1 0 315.505 3.810 20 10 DHCDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765955480 1019114713 /nfs/dbraw/zinc/11/47/13/1019114713.db2.gz WFKQBQPJUVWXHY-DNVCBOLYSA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765955581 1019115939 /nfs/dbraw/zinc/11/59/39/1019115939.db2.gz AYYKURUAXWHLJD-QFBILLFUSA-N 1 0 302.462 3.754 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccccc1O ZINC000186168898 1019224647 /nfs/dbraw/zinc/22/46/47/1019224647.db2.gz PBVWNLLMAWLIFY-MRXNPFEDSA-N 1 0 303.377 3.823 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1O ZINC000136725133 1019328176 /nfs/dbraw/zinc/32/81/76/1019328176.db2.gz BSZVMNKKELRDJB-INIZCTEOSA-N 1 0 319.445 3.762 20 10 DHCDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000922049052 1019363620 /nfs/dbraw/zinc/36/36/20/1019363620.db2.gz SUMGZLMYYATFGE-UHFFFAOYSA-N 1 0 312.369 3.518 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186508415 1019367375 /nfs/dbraw/zinc/36/73/75/1019367375.db2.gz YHOOZQBFUXOHNP-PIXXYMSQSA-N 1 0 320.452 3.794 20 10 DHCDRO Cc1cn[nH]c1C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858294205 1032832502 /nfs/dbraw/zinc/83/25/02/1032832502.db2.gz VPLGJFYFNFWTQT-UHFFFAOYSA-N 1 0 308.429 3.724 20 10 DHCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281996 1032829751 /nfs/dbraw/zinc/82/97/51/1032829751.db2.gz CEZMZUFBAKRMJY-YYAJDYIMSA-N 1 0 302.462 3.578 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000186183491 1019463390 /nfs/dbraw/zinc/46/33/90/1019463390.db2.gz NIANBZKSLJGIGX-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC001203250042 1032848234 /nfs/dbraw/zinc/84/82/34/1032848234.db2.gz ZGQRXRQTGOJSJU-GOSISDBHSA-N 1 0 308.441 3.577 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1F ZINC000363532259 1019737603 /nfs/dbraw/zinc/73/76/03/1019737603.db2.gz HWRQAANJYVCRAO-MRXNPFEDSA-N 1 0 316.424 3.562 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1N(C)C)c1ccccc1O ZINC001119284239 1019764786 /nfs/dbraw/zinc/76/47/86/1019764786.db2.gz CZRIEZKSXBBQSG-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO CC(C)(C)c1ccncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183283 1019788642 /nfs/dbraw/zinc/78/86/42/1019788642.db2.gz QIWGMHURFVQURB-UHFFFAOYSA-N 1 0 310.441 3.994 20 10 DHCDRO CCC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000727830785 1019817705 /nfs/dbraw/zinc/81/77/05/1019817705.db2.gz OFMGOALGRPLJIC-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000922215745 1019893895 /nfs/dbraw/zinc/89/38/95/1019893895.db2.gz FUNGMWMHLCQJDF-QWHCGFSZSA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1O ZINC000309647221 1019923777 /nfs/dbraw/zinc/92/37/77/1019923777.db2.gz DDHQLKZRCXHFQF-FCEWJHQRSA-N 1 0 310.441 3.706 20 10 DHCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892417606 1020054592 /nfs/dbraw/zinc/05/45/92/1020054592.db2.gz FPOFTYKCYPNQOW-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO CCOc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000922422823 1020066076 /nfs/dbraw/zinc/06/60/76/1020066076.db2.gz WPRLIFNJCLHITL-SFESLNEESA-N 1 0 307.459 3.555 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(O)c1 ZINC001171734871 1032875807 /nfs/dbraw/zinc/87/58/07/1032875807.db2.gz QSMWOJCEASBZOE-IEBWSBKVSA-N 1 0 324.468 3.762 20 10 DHCDRO CCCC[N@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000731661013 1020131242 /nfs/dbraw/zinc/13/12/42/1020131242.db2.gz RXUHMHWSMJEKSY-UHFFFAOYSA-N 1 0 317.429 3.803 20 10 DHCDRO c1ccc([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC000922586876 1020147813 /nfs/dbraw/zinc/14/78/13/1020147813.db2.gz SNKVXUWNRCXZHI-HXUWFJFHSA-N 1 0 307.441 3.923 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1nc(C2CC2)no1)C1CCCC1 ZINC000731848115 1020157768 /nfs/dbraw/zinc/15/77/68/1020157768.db2.gz SMVUFYBRNRUMGJ-UHFFFAOYSA-N 1 0 313.401 3.597 20 10 DHCDRO Cn1cc(CCC[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000732204706 1020211627 /nfs/dbraw/zinc/21/16/27/1020211627.db2.gz BDSSINYJQKDITM-UHFFFAOYSA-N 1 0 313.445 3.503 20 10 DHCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732820560 1020288006 /nfs/dbraw/zinc/28/80/06/1020288006.db2.gz LJRZEAZNKBOJCX-FOIQADDNSA-N 1 0 313.441 3.946 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000922846719 1020305535 /nfs/dbraw/zinc/30/55/35/1020305535.db2.gz XJCALOCFULJWCJ-CQSZACIVSA-N 1 0 307.459 3.699 20 10 DHCDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000179496097 1020360224 /nfs/dbraw/zinc/36/02/24/1020360224.db2.gz ZHJOEMZRPAOAPE-MRXNPFEDSA-N 1 0 302.462 3.532 20 10 DHCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000733324411 1020371562 /nfs/dbraw/zinc/37/15/62/1020371562.db2.gz ACMNQMIWHBHYRS-INIZCTEOSA-N 1 0 310.869 3.646 20 10 DHCDRO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1c(O)cccc1Cl ZINC000733325876 1020372307 /nfs/dbraw/zinc/37/23/07/1020372307.db2.gz VNJLXWLVTFPRFK-ZDUSSCGKSA-N 1 0 316.832 3.586 20 10 DHCDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1c(O)cccc1Cl ZINC000733325875 1020372775 /nfs/dbraw/zinc/37/27/75/1020372775.db2.gz VNJLXWLVTFPRFK-CYBMUJFWSA-N 1 0 316.832 3.586 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000733327438 1020374901 /nfs/dbraw/zinc/37/49/01/1020374901.db2.gz XIPWBDIXXPHDHT-VQIMIIECSA-N 1 0 310.441 3.626 20 10 DHCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000733329978 1020376876 /nfs/dbraw/zinc/37/68/76/1020376876.db2.gz MYKMZODFRJHHSJ-UHFFFAOYSA-N 1 0 305.780 3.746 20 10 DHCDRO c1c(C[NH2+]Cc2ccc3c(c2)CCCO3)onc1-c1ccccc1 ZINC000921680293 1020405856 /nfs/dbraw/zinc/40/58/56/1020405856.db2.gz GRTXRDJVWACFGM-UHFFFAOYSA-N 1 0 320.392 3.956 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1O ZINC000529637195 1020505117 /nfs/dbraw/zinc/50/51/17/1020505117.db2.gz PFIUCUFBYXXKSD-UHFFFAOYSA-N 1 0 315.388 3.883 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1OC ZINC000378879460 1020523103 /nfs/dbraw/zinc/52/31/03/1020523103.db2.gz FCTFQCZMGOAWIA-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378905403 1020523623 /nfs/dbraw/zinc/52/36/23/1020523623.db2.gz YVVVYSIVPUPEAA-HKUYNNGSSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766043577 1020564735 /nfs/dbraw/zinc/56/47/35/1020564735.db2.gz MURBXFJYSAGMAF-UGSOOPFHSA-N 1 0 310.445 3.579 20 10 DHCDRO COc1ccc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC000921721675 1020568178 /nfs/dbraw/zinc/56/81/78/1020568178.db2.gz HFNMWFHMWPRETO-UHFFFAOYSA-N 1 0 309.409 3.799 20 10 DHCDRO C[C@@H](O)C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000153250664 1020626337 /nfs/dbraw/zinc/62/63/37/1020626337.db2.gz LQUBFAQJEVFGFU-UKRRQHHQSA-N 1 0 319.832 3.690 20 10 DHCDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cc(F)ccc2O)nc1 ZINC000858488120 1032918091 /nfs/dbraw/zinc/91/80/91/1032918091.db2.gz NWNNGHTYOKAIDE-CYBMUJFWSA-N 1 0 302.393 3.863 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1F ZINC000735323952 1020718509 /nfs/dbraw/zinc/71/85/09/1020718509.db2.gz IMISOGGVEKGTAW-OAHLLOKOSA-N 1 0 312.432 3.786 20 10 DHCDRO C[C@@H]1CSCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738276413 1020867237 /nfs/dbraw/zinc/86/72/37/1020867237.db2.gz HZNPGGFSJSAHSP-GFCCVEGCSA-N 1 0 317.454 3.955 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546270 1032940849 /nfs/dbraw/zinc/94/08/49/1032940849.db2.gz QSNWULPPVVVYBG-ZAAXVRCTSA-N 1 0 314.473 3.895 20 10 DHCDRO COC[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000739871979 1020918915 /nfs/dbraw/zinc/91/89/15/1020918915.db2.gz XFPQUWGCVZPTRV-ZDUSSCGKSA-N 1 0 311.381 3.760 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1F ZINC000740001928 1020923812 /nfs/dbraw/zinc/92/38/12/1020923812.db2.gz KJXDKKQQWGTWRT-CQSZACIVSA-N 1 0 304.409 3.986 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1 ZINC000740014477 1020927833 /nfs/dbraw/zinc/92/78/33/1020927833.db2.gz PQPDEBODMWTIBX-HXUWFJFHSA-N 1 0 318.505 3.954 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000740899613 1020962540 /nfs/dbraw/zinc/96/25/40/1020962540.db2.gz ANJONLMXEXAXOZ-LJQANCHMSA-N 1 0 306.494 3.810 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cc1 ZINC000766263367 1020978093 /nfs/dbraw/zinc/97/80/93/1020978093.db2.gz TWDUKELPZKMSEH-UHFFFAOYSA-N 1 0 314.473 3.690 20 10 DHCDRO Cc1cc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1N1CCCCC1 ZINC001171942403 1032948235 /nfs/dbraw/zinc/94/82/35/1032948235.db2.gz IKHOENBYLOZJTQ-YLJYHZDGSA-N 1 0 315.505 3.510 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000742152998 1021096654 /nfs/dbraw/zinc/09/66/54/1021096654.db2.gz PVNCFDYIYLKYBF-KRWDZBQOSA-N 1 0 307.437 3.946 20 10 DHCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccoc3)C2)cc1 ZINC000742384750 1021109446 /nfs/dbraw/zinc/10/94/46/1021109446.db2.gz LORIYWXCKNXJQU-AWEZNQCLSA-N 1 0 322.355 3.640 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000742382653 1021109496 /nfs/dbraw/zinc/10/94/96/1021109496.db2.gz HPQHTZPKYQLYNO-GFCCVEGCSA-N 1 0 321.804 3.611 20 10 DHCDRO CC(C)(CO)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742372449 1021114356 /nfs/dbraw/zinc/11/43/56/1021114356.db2.gz MLPRYLYKKRDXJL-UHFFFAOYSA-N 1 0 313.441 3.948 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1 ZINC000742378704 1021115193 /nfs/dbraw/zinc/11/51/93/1021115193.db2.gz KHGDLKQVKCSHGS-QGZVFWFLSA-N 1 0 313.489 3.982 20 10 DHCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000858591155 1032958065 /nfs/dbraw/zinc/95/80/65/1032958065.db2.gz MUQJIQJXXNHHNJ-YQQAZPJKSA-N 1 0 320.452 3.892 20 10 DHCDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000742734046 1021155568 /nfs/dbraw/zinc/15/55/68/1021155568.db2.gz AUGSLYGSNAQTIJ-UHFFFAOYSA-N 1 0 324.472 3.844 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1O ZINC000053150171 1021175198 /nfs/dbraw/zinc/17/51/98/1021175198.db2.gz UVKYZRXERHLMGO-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(Cl)c1 ZINC001202281895 1021200066 /nfs/dbraw/zinc/20/00/66/1021200066.db2.gz WRDZCJGMTAXWLN-INIZCTEOSA-N 1 0 310.869 3.564 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1 ZINC001202298996 1021205843 /nfs/dbraw/zinc/20/58/43/1021205843.db2.gz HQHADOMJLBHBPH-IBGZPJMESA-N 1 0 306.494 3.810 20 10 DHCDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000917454806 1021270314 /nfs/dbraw/zinc/27/03/14/1021270314.db2.gz MUXHSDPYVAPCMX-CQSZACIVSA-N 1 0 313.397 3.922 20 10 DHCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743396326 1021281205 /nfs/dbraw/zinc/28/12/05/1021281205.db2.gz ZCPCIWOUHOEPEI-QGZVFWFLSA-N 1 0 318.505 3.914 20 10 DHCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000743499707 1021305510 /nfs/dbraw/zinc/30/55/10/1021305510.db2.gz PCQNLISAUOKHLG-SJLPKXTDSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1cc(C[NH2+]C2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000743644074 1021336949 /nfs/dbraw/zinc/33/69/49/1021336949.db2.gz ACVWUCJRDQNHRS-UHFFFAOYSA-N 1 0 311.473 3.586 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000181773953 1021344309 /nfs/dbraw/zinc/34/43/09/1021344309.db2.gz CDBGNCHKOSYABI-QWHCGFSZSA-N 1 0 312.504 3.563 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154525191 1021364510 /nfs/dbraw/zinc/36/45/10/1021364510.db2.gz NOAXNTXRQNIGJC-DOTOQJQBSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000166312864 1021398725 /nfs/dbraw/zinc/39/87/25/1021398725.db2.gz ZLESAMJRHKCUGM-OXJNMPFZSA-N 1 0 315.505 3.668 20 10 DHCDRO CCOCCCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850033758 1021398687 /nfs/dbraw/zinc/39/86/87/1021398687.db2.gz DONRZNWYLVHOHR-UHFFFAOYSA-N 1 0 309.450 3.605 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(C)nc2)c(O)c(C(C)(C)C)c1 ZINC000850032853 1021399019 /nfs/dbraw/zinc/39/90/19/1021399019.db2.gz FXYQRDWTBLNIKS-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850158326 1021430812 /nfs/dbraw/zinc/43/08/12/1021430812.db2.gz AHRJIUPEUMUIPP-CYBMUJFWSA-N 1 0 323.477 3.585 20 10 DHCDRO COc1cc(C[NH2+]Cc2ncccc2F)c(O)c(C(C)(C)C)c1 ZINC000850221118 1021445187 /nfs/dbraw/zinc/44/51/87/1021445187.db2.gz BFASTGDKCZBXCI-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4cc[nH]c43)C2)cc1 ZINC000850346641 1021481362 /nfs/dbraw/zinc/48/13/62/1021481362.db2.gz VNOSGHWUEWCGOS-KRWDZBQOSA-N 1 0 321.424 3.545 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccsc3Cl)C2)cc1 ZINC000850346470 1021481467 /nfs/dbraw/zinc/48/14/67/1021481467.db2.gz GISOXKHQBKCZBS-ZDUSSCGKSA-N 1 0 322.861 3.779 20 10 DHCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369763 1021491962 /nfs/dbraw/zinc/49/19/62/1021491962.db2.gz LGBYUULQVOPFPI-LEWJYISDSA-N 1 0 322.452 3.945 20 10 DHCDRO CC(C)(F)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850374535 1021496507 /nfs/dbraw/zinc/49/65/07/1021496507.db2.gz LSMDATWDXJXIDM-UHFFFAOYSA-N 1 0 323.412 3.813 20 10 DHCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000850379211 1021498952 /nfs/dbraw/zinc/49/89/52/1021498952.db2.gz HXAPDXSZTLODLS-APWZRJJASA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000850379214 1021499367 /nfs/dbraw/zinc/49/93/67/1021499367.db2.gz HXAPDXSZTLODLS-VQIMIIECSA-N 1 0 302.462 3.724 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386954 1021502218 /nfs/dbraw/zinc/50/22/18/1021502218.db2.gz NHORKDJZOVJXBX-HZQHCPKGSA-N 1 0 308.425 3.749 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(O)c1 ZINC000850389395 1021504217 /nfs/dbraw/zinc/50/42/17/1021504217.db2.gz WHJYNDWEMJGJRS-IAGOWNOFSA-N 1 0 319.445 3.617 20 10 DHCDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850394899 1021506940 /nfs/dbraw/zinc/50/69/40/1021506940.db2.gz HSBWWIWVEGKJLZ-MSOLQXFVSA-N 1 0 319.832 3.893 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000850406615 1021513859 /nfs/dbraw/zinc/51/38/59/1021513859.db2.gz NHRDRNKHRDEHAU-RYRKJORJSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCC2SCCS2)c(Cl)c1 ZINC000850408092 1021515959 /nfs/dbraw/zinc/51/59/59/1021515959.db2.gz YBHBKKFPDSTQBP-UHFFFAOYSA-N 1 0 303.880 3.640 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419127 1021522854 /nfs/dbraw/zinc/52/28/54/1021522854.db2.gz BQVLALABTVFZKH-UZLBHIALSA-N 1 0 312.457 3.745 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695121199 1021524822 /nfs/dbraw/zinc/52/48/22/1021524822.db2.gz XLGVVVGSVARKNM-NSHDSACASA-N 1 0 320.177 3.822 20 10 DHCDRO Oc1ccccc1C[NH+](Cc1ccco1)Cc1ccccc1O ZINC000154730179 1021525835 /nfs/dbraw/zinc/52/58/35/1021525835.db2.gz NQKGKYRCKOZVLS-UHFFFAOYSA-N 1 0 309.365 3.893 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1F ZINC000850432698 1021528738 /nfs/dbraw/zinc/52/87/38/1021528738.db2.gz DIDQZEBUKCSPAI-UHFFFAOYSA-N 1 0 314.395 3.849 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000850475205 1021556043 /nfs/dbraw/zinc/55/60/43/1021556043.db2.gz VAFZNEHJECEHNF-AWEZNQCLSA-N 1 0 310.432 3.669 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4occc43)C2)cc1 ZINC000850487113 1021561198 /nfs/dbraw/zinc/56/11/98/1021561198.db2.gz GDWOOLULSVEAEG-KBXCAEBGSA-N 1 0 312.413 3.534 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3sccc3C)C2)cc1 ZINC000850487011 1021561554 /nfs/dbraw/zinc/56/15/54/1021561554.db2.gz DYXXZXOLKSFRID-GJZGRUSLSA-N 1 0 316.470 3.995 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)s3)C2)cc1 ZINC000850488225 1021561922 /nfs/dbraw/zinc/56/19/22/1021561922.db2.gz LYBVWGQUYXZZNW-LSDHHAIUSA-N 1 0 316.470 3.995 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000850505730 1021565795 /nfs/dbraw/zinc/56/57/95/1021565795.db2.gz WSIPGPRIWNTUER-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000850504875 1021566288 /nfs/dbraw/zinc/56/62/88/1021566288.db2.gz HCMMLIORISHQFZ-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850534773 1021587935 /nfs/dbraw/zinc/58/79/35/1021587935.db2.gz QVZHDYHGBDQORN-XYPHTWIQSA-N 1 0 324.415 3.608 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538569 1021593472 /nfs/dbraw/zinc/59/34/72/1021593472.db2.gz IBQHCBHLEAAMGO-HZPDHXFCSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000850556163 1021601457 /nfs/dbraw/zinc/60/14/57/1021601457.db2.gz RKKYLQFWEREMOV-ZRZPHAQCSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554925 1021601542 /nfs/dbraw/zinc/60/15/42/1021601542.db2.gz HWDDJBCBYMBOGR-ACJLOTCBSA-N 1 0 306.425 3.502 20 10 DHCDRO CC[C@@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1O ZINC000850561332 1021605444 /nfs/dbraw/zinc/60/54/44/1021605444.db2.gz NTGXDOXJICJPCF-LLVKDONJSA-N 1 0 303.880 3.892 20 10 DHCDRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1O ZINC000850567064 1021610881 /nfs/dbraw/zinc/61/08/81/1021610881.db2.gz WFZCNMRAKJMRSS-JTQLQIEISA-N 1 0 319.779 3.637 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000394483117 1021613806 /nfs/dbraw/zinc/61/38/06/1021613806.db2.gz FRERIENKJZATHA-MCIONIFRSA-N 1 0 322.449 3.653 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(O)c1C ZINC000850573128 1021616755 /nfs/dbraw/zinc/61/67/55/1021616755.db2.gz JIQOIAHRCYPLID-JTDSTZFVSA-N 1 0 313.441 3.824 20 10 DHCDRO CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000850585467 1021624135 /nfs/dbraw/zinc/62/41/35/1021624135.db2.gz WXWDKMKELQPKPQ-SFHVURJKSA-N 1 0 320.452 3.694 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000840893979 1021638221 /nfs/dbraw/zinc/63/82/21/1021638221.db2.gz OLFUVUZELGDHTE-KBPBESRZSA-N 1 0 303.475 3.799 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)c1 ZINC000182414027 1021647480 /nfs/dbraw/zinc/64/74/80/1021647480.db2.gz XJQYMKRCJSQLBW-CYBMUJFWSA-N 1 0 323.433 3.563 20 10 DHCDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000776494940 1021658766 /nfs/dbraw/zinc/65/87/66/1021658766.db2.gz RXXTWZCQWYKVNT-LJQANCHMSA-N 1 0 316.489 3.564 20 10 DHCDRO OCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCCC1 ZINC000776499367 1021683990 /nfs/dbraw/zinc/68/39/90/1021683990.db2.gz UYTKJZGJEXYLEX-UHFFFAOYSA-N 1 0 311.425 3.844 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1O ZINC000314033476 1021697568 /nfs/dbraw/zinc/69/75/68/1021697568.db2.gz ONNTWQRAFRAFIB-LBPRGKRZSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000182676383 1021764361 /nfs/dbraw/zinc/76/43/61/1021764361.db2.gz NCLOFYTXFGRQPL-UHFFFAOYSA-N 1 0 319.351 3.848 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1=CCCC1 ZINC000308771797 1021807259 /nfs/dbraw/zinc/80/72/59/1021807259.db2.gz WQIBFMDRBSCHMN-UHFFFAOYSA-N 1 0 314.473 3.749 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)CCCC2)c1nccs1 ZINC000182837111 1021819060 /nfs/dbraw/zinc/81/90/60/1021819060.db2.gz UDMBNWQETZNGRH-CYBMUJFWSA-N 1 0 316.470 3.963 20 10 DHCDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1F ZINC000746032691 1021832571 /nfs/dbraw/zinc/83/25/71/1021832571.db2.gz GISJQOPPYSFPFV-UHFFFAOYSA-N 1 0 317.360 3.671 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C1CCOCC1 ZINC000746054364 1021838387 /nfs/dbraw/zinc/83/83/87/1021838387.db2.gz QVBYGMCRXAAOBZ-IBGZPJMESA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC001202483925 1021984141 /nfs/dbraw/zinc/98/41/41/1021984141.db2.gz XBZSZVBJTBJHOT-MRXNPFEDSA-N 1 0 312.457 3.926 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000070976070 1021995320 /nfs/dbraw/zinc/99/53/20/1021995320.db2.gz OPBLRBKIZABCHM-QGZVFWFLSA-N 1 0 315.388 3.713 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC)c2Cl)c1 ZINC000851900546 1022034482 /nfs/dbraw/zinc/03/44/82/1022034482.db2.gz VGZQXULRQNCART-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(C3CC3)s2)cc1 ZINC000155193960 1022059481 /nfs/dbraw/zinc/05/94/81/1022059481.db2.gz UJOKAHRAKQIYSM-UHFFFAOYSA-N 1 0 301.459 3.719 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766389898 1022088464 /nfs/dbraw/zinc/08/84/64/1022088464.db2.gz SGGLOHIQLIHAIM-RTBURBONSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000766437504 1022113946 /nfs/dbraw/zinc/11/39/46/1022113946.db2.gz OINUHJDRPRKYLR-IPMKNSEASA-N 1 0 304.478 3.735 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000766457332 1022117119 /nfs/dbraw/zinc/11/71/19/1022117119.db2.gz JRBUMXMMFQFDAE-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO Cc1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)ccc1N(C)C ZINC000852592888 1022145456 /nfs/dbraw/zinc/14/54/56/1022145456.db2.gz XRMRXVRXGKQXSR-FQEVSTJZSA-N 1 0 316.489 3.842 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc1N(C)C ZINC000852596352 1022148315 /nfs/dbraw/zinc/14/83/15/1022148315.db2.gz LFCJBAFWWOUNDB-AZUAARDMSA-N 1 0 316.489 3.842 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000183556709 1022190169 /nfs/dbraw/zinc/19/01/69/1022190169.db2.gz VNHAMSFLYVFHOV-WBMJQRKESA-N 1 0 313.422 3.991 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239125 1022239586 /nfs/dbraw/zinc/23/95/86/1022239586.db2.gz AKDOHSUEZDQAOY-UKRRQHHQSA-N 1 0 322.880 3.818 20 10 DHCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1O)C2 ZINC000853565736 1022294802 /nfs/dbraw/zinc/29/48/02/1022294802.db2.gz JKCUOXVKCTUULR-XOBRGWDASA-N 1 0 323.392 3.760 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccncc1 ZINC000763454674 1022295912 /nfs/dbraw/zinc/29/59/12/1022295912.db2.gz HPPCAMUSSGGAMS-UHFFFAOYSA-N 1 0 304.393 3.787 20 10 DHCDRO C[C@@H]([NH2+]CCCOc1ccccc1F)c1cc(F)ccc1O ZINC000756412474 1022312293 /nfs/dbraw/zinc/31/22/93/1022312293.db2.gz UCNHLXIMJLYWSB-GFCCVEGCSA-N 1 0 307.340 3.790 20 10 DHCDRO [NH3+]Cc1ccc2c(n1)N(c1cccc(-c3cccnc3)c1)CCC2 ZINC001169591497 1022459251 /nfs/dbraw/zinc/45/92/51/1022459251.db2.gz YLZSIFZECOXUHV-UHFFFAOYSA-N 1 0 316.408 3.687 20 10 DHCDRO Cc1cccc(C[N@H+](C)Cc2ccccc2N2CCCC2)c1O ZINC000179615497 1022493174 /nfs/dbraw/zinc/49/31/74/1022493174.db2.gz MVPSVSFVOVUFEM-UHFFFAOYSA-N 1 0 310.441 3.933 20 10 DHCDRO COCC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000112332016 1022494134 /nfs/dbraw/zinc/49/41/34/1022494134.db2.gz RYUQLPBPGKIGDT-UHFFFAOYSA-N 1 0 305.462 3.857 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCCC2 ZINC000185602270 1022505688 /nfs/dbraw/zinc/50/56/88/1022505688.db2.gz OFWNXGWUBFZPBS-DOPJRALCSA-N 1 0 319.445 3.789 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185744696 1022520147 /nfs/dbraw/zinc/52/01/47/1022520147.db2.gz KCQPWDWWRKSJIO-ZBEGNZNMSA-N 1 0 301.361 3.878 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001169753950 1022530563 /nfs/dbraw/zinc/53/05/63/1022530563.db2.gz DZEPVAMZFZZSPS-AYBZRNKSSA-N 1 0 303.446 3.952 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000112712036 1022536005 /nfs/dbraw/zinc/53/60/05/1022536005.db2.gz MNJOVXAHMOHZOQ-UHFFFAOYSA-N 1 0 324.468 3.839 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206022782 1022564271 /nfs/dbraw/zinc/56/42/71/1022564271.db2.gz CTEDRHYTSAZBIT-MNOVXSKESA-N 1 0 317.260 3.506 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCSCC1 ZINC000187118483 1022632565 /nfs/dbraw/zinc/63/25/65/1022632565.db2.gz XCOCNBCNUQNCEG-CQSZACIVSA-N 1 0 304.503 3.690 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)C1CCSCC1 ZINC000187222967 1022645060 /nfs/dbraw/zinc/64/50/60/1022645060.db2.gz RAUKOWDHYILPGM-NSHDSACASA-N 1 0 302.534 3.747 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000068478642 1022650724 /nfs/dbraw/zinc/65/07/24/1022650724.db2.gz PUKNCUAIDLHLEL-OAHLLOKOSA-N 1 0 314.404 3.513 20 10 DHCDRO Cc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC000180197005 1022659541 /nfs/dbraw/zinc/65/95/41/1022659541.db2.gz COPWKSNBCSFFEG-LJQANCHMSA-N 1 0 324.468 3.655 20 10 DHCDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000767414033 1022704582 /nfs/dbraw/zinc/70/45/82/1022704582.db2.gz FCAXZNQTAMTHPL-UHFFFAOYSA-N 1 0 320.820 3.908 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2cc(C)ccc2O)c(C)n1 ZINC000767426744 1022714375 /nfs/dbraw/zinc/71/43/75/1022714375.db2.gz MBWUXDCITKBZAK-UHFFFAOYSA-N 1 0 301.434 3.686 20 10 DHCDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000180505184 1022747925 /nfs/dbraw/zinc/74/79/25/1022747925.db2.gz ZNZLSXZZLZRQPS-OAHLLOKOSA-N 1 0 312.461 3.805 20 10 DHCDRO OCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000767927174 1022843576 /nfs/dbraw/zinc/84/35/76/1022843576.db2.gz RDPMOCZPIOXGDL-UHFFFAOYSA-N 1 0 311.425 3.702 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CC3CCC2CC3)ccc1OC ZINC000767930859 1022844241 /nfs/dbraw/zinc/84/42/41/1022844241.db2.gz YTWIMEKNTPTVHV-JFUPDXTOSA-N 1 0 303.446 3.900 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000768145092 1022895065 /nfs/dbraw/zinc/89/50/65/1022895065.db2.gz XCUBLJAWBONBKT-VMPITWQZSA-N 1 0 322.452 3.532 20 10 DHCDRO Nc1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000768134891 1022902098 /nfs/dbraw/zinc/90/20/98/1022902098.db2.gz XBBUBJHMLSNKFE-UHFFFAOYSA-N 1 0 317.458 3.766 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OCC)cc2O)cc1 ZINC000768163879 1022907070 /nfs/dbraw/zinc/90/70/70/1022907070.db2.gz SQAPSRHOAAVJFL-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)c(O)c1 ZINC000768211441 1022924607 /nfs/dbraw/zinc/92/46/07/1022924607.db2.gz YFZZYNPZHBDLRX-LBPRGKRZSA-N 1 0 303.427 3.972 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000768258138 1022935339 /nfs/dbraw/zinc/93/53/39/1022935339.db2.gz QASJOLMBFPYLKL-UHFFFAOYSA-N 1 0 320.440 3.794 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC=CO1 ZINC000191057044 1022945685 /nfs/dbraw/zinc/94/56/85/1022945685.db2.gz MTWNMULGWMSVNS-LJQANCHMSA-N 1 0 300.446 3.801 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)cc1O ZINC000857081686 1022947060 /nfs/dbraw/zinc/94/70/60/1022947060.db2.gz QDHKPYVNNOCNQM-BDAKNGLRSA-N 1 0 320.177 3.851 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](CC)Cc2ccc(OC)cc2)c1 ZINC000768333652 1022947652 /nfs/dbraw/zinc/94/76/52/1022947652.db2.gz FSCGYYCUPQJGCW-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768317130 1022950435 /nfs/dbraw/zinc/95/04/35/1022950435.db2.gz FFEUOQXZUOIFEJ-QGZVFWFLSA-N 1 0 320.452 3.673 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)c(O)cc1C ZINC000768437829 1022965240 /nfs/dbraw/zinc/96/52/40/1022965240.db2.gz JZKYKXSXOTVVFA-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)c(O)cc1C ZINC000768441459 1022967912 /nfs/dbraw/zinc/96/79/12/1022967912.db2.gz IZSUPZPFLJBGCS-GFCCVEGCSA-N 1 0 303.427 3.890 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)cc1OC ZINC000768446477 1022968699 /nfs/dbraw/zinc/96/86/99/1022968699.db2.gz YBAUGSLTNMETBD-CQSZACIVSA-N 1 0 307.434 3.810 20 10 DHCDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000184534857 1022969390 /nfs/dbraw/zinc/96/93/90/1022969390.db2.gz ARZQPXVFPNOALS-KRWDZBQOSA-N 1 0 316.489 3.880 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)CCCC2 ZINC000768463366 1022972994 /nfs/dbraw/zinc/97/29/94/1022972994.db2.gz HNEIMFCGJFXHSA-FQEVSTJZSA-N 1 0 315.457 3.664 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000191671412 1022977575 /nfs/dbraw/zinc/97/75/75/1022977575.db2.gz WBZZYFCNHOYKNB-GFCCVEGCSA-N 1 0 309.475 3.723 20 10 DHCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)c1ccccc1 ZINC000768595947 1022997359 /nfs/dbraw/zinc/99/73/59/1022997359.db2.gz JNLWDRBHKUQPAT-HNNXBMFYSA-N 1 0 315.413 3.610 20 10 DHCDRO COc1cccc(Cl)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296333794 1023008437 /nfs/dbraw/zinc/00/84/37/1023008437.db2.gz GNBUSPWSCRUPGZ-CQSZACIVSA-N 1 0 303.789 3.831 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CC(C(F)F)C2)cc1F ZINC000768689847 1023015487 /nfs/dbraw/zinc/01/54/87/1023015487.db2.gz HKJFPJUOXMPXOB-UHFFFAOYSA-N 1 0 300.368 3.805 20 10 DHCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000768772335 1023024367 /nfs/dbraw/zinc/02/43/67/1023024367.db2.gz ZHCDHUFNHFDCJQ-SNVBAGLBSA-N 1 0 316.239 3.641 20 10 DHCDRO C[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1O ZINC000768872952 1023045575 /nfs/dbraw/zinc/04/55/75/1023045575.db2.gz MPKQDMGRFZTRKG-UHFFFAOYSA-N 1 0 311.410 3.543 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000768929703 1023060081 /nfs/dbraw/zinc/06/00/81/1023060081.db2.gz JYGDGMWTCWPDOE-CQSZACIVSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1C(C)C ZINC000123776515 1023067447 /nfs/dbraw/zinc/06/74/47/1023067447.db2.gz SUWOUUDLYAUACA-HNNXBMFYSA-N 1 0 303.446 3.825 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1O ZINC000768993016 1023067499 /nfs/dbraw/zinc/06/74/99/1023067499.db2.gz TYTSVACTNRQQON-KRWDZBQOSA-N 1 0 315.388 3.747 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1F ZINC000769106721 1023084849 /nfs/dbraw/zinc/08/48/49/1023084849.db2.gz WOTQPJILHBKRTH-GOSISDBHSA-N 1 0 314.404 3.934 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000769102997 1023090832 /nfs/dbraw/zinc/09/08/32/1023090832.db2.gz RNSFRKPJWHFSKN-UZLBHIALSA-N 1 0 310.441 3.715 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000769244246 1023107015 /nfs/dbraw/zinc/10/70/15/1023107015.db2.gz MPKLCYJFFWCQGR-SFHVURJKSA-N 1 0 310.441 3.751 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC000769379229 1023135425 /nfs/dbraw/zinc/13/54/25/1023135425.db2.gz LHUKSGBIDYBCLM-CQSZACIVSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000769403923 1023140757 /nfs/dbraw/zinc/14/07/57/1023140757.db2.gz KBWWJGICMXVNCG-CQSZACIVSA-N 1 0 318.442 3.675 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000769405900 1023143506 /nfs/dbraw/zinc/14/35/06/1023143506.db2.gz GMWMCWLPQBZNMP-OAHLLOKOSA-N 1 0 304.503 3.908 20 10 DHCDRO CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000769481965 1023152096 /nfs/dbraw/zinc/15/20/96/1023152096.db2.gz DHSACEVCRIOZME-GOSISDBHSA-N 1 0 319.832 3.910 20 10 DHCDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000769487095 1023152331 /nfs/dbraw/zinc/15/23/31/1023152331.db2.gz HOFLEZAHEXHFFM-MRXNPFEDSA-N 1 0 313.397 3.574 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769469729 1023162046 /nfs/dbraw/zinc/16/20/46/1023162046.db2.gz DMSSHEGBQUAJHI-GUDVDZBRSA-N 1 0 316.489 3.778 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769476202 1023165220 /nfs/dbraw/zinc/16/52/20/1023165220.db2.gz XGPFVDWQJAFVCE-OXJNMPFZSA-N 1 0 311.425 3.971 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](OCC)c2ccccc2)c1 ZINC000194460361 1023169669 /nfs/dbraw/zinc/16/96/69/1023169669.db2.gz VEGQFQVUFNQNSH-IBGZPJMESA-N 1 0 315.413 3.658 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769513563 1023172269 /nfs/dbraw/zinc/17/22/69/1023172269.db2.gz BQWFNCJLJWPRGI-OALUTQOASA-N 1 0 323.436 3.918 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000364432340 1023173223 /nfs/dbraw/zinc/17/32/23/1023173223.db2.gz AVZUBOUFLDZUBW-DKICVRJWSA-N 1 0 310.441 3.624 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)c3ccccc32)c(O)c1C ZINC000364437627 1023174859 /nfs/dbraw/zinc/17/48/59/1023174859.db2.gz DFQDAWMOIQYSQH-DOXZYTNZSA-N 1 0 311.425 3.881 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000769557739 1023179518 /nfs/dbraw/zinc/17/95/18/1023179518.db2.gz ADSJTLRTYLRCER-ZDUSSCGKSA-N 1 0 303.352 3.968 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000769710674 1023198936 /nfs/dbraw/zinc/19/89/36/1023198936.db2.gz ONSQBFRIYRGTFK-WMZOPIPTSA-N 1 0 304.478 3.970 20 10 DHCDRO CCCN(Cc1cnc2ccc(C)cn12)c1ccc(C[NH3+])cc1 ZINC000194981439 1023202758 /nfs/dbraw/zinc/20/27/58/1023202758.db2.gz AVRYWAAAYKNMHJ-UHFFFAOYSA-N 1 0 308.429 3.518 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000859257490 1033114762 /nfs/dbraw/zinc/11/47/62/1033114762.db2.gz BZQMTRXOXWOMND-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000769929606 1023248700 /nfs/dbraw/zinc/24/87/00/1023248700.db2.gz DQZPHLFNAZOJOM-JXFKEZNVSA-N 1 0 312.457 3.790 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)cc1 ZINC000770285927 1023291163 /nfs/dbraw/zinc/29/11/63/1023291163.db2.gz MEQJRHLSUNJLPP-UXHICEINSA-N 1 0 315.505 3.591 20 10 DHCDRO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000770383419 1023302124 /nfs/dbraw/zinc/30/21/24/1023302124.db2.gz VFQULSLSMIGESL-UHFFFAOYSA-N 1 0 322.452 3.556 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCSc2nccs2)c(C)n1 ZINC000771391752 1023431785 /nfs/dbraw/zinc/43/17/85/1023431785.db2.gz SMFBRNFTGQTTNS-LBPRGKRZSA-N 1 0 307.488 3.988 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000771875465 1023479333 /nfs/dbraw/zinc/47/93/33/1023479333.db2.gz VBEILJDGGBEQDF-ICSRJNTNSA-N 1 0 311.425 3.871 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCCOc1cccc(C)c1C ZINC000785576041 1023596191 /nfs/dbraw/zinc/59/61/91/1023596191.db2.gz IVBWYWPQMNHHTQ-UHFFFAOYSA-N 1 0 315.413 3.576 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1C ZINC000785611266 1023598153 /nfs/dbraw/zinc/59/81/53/1023598153.db2.gz WIQNYPAEUMPELS-MRXNPFEDSA-N 1 0 323.795 3.619 20 10 DHCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000785990248 1023648671 /nfs/dbraw/zinc/64/86/71/1023648671.db2.gz ZYVZEUSUWVPKRL-FUHIMQAGSA-N 1 0 316.489 3.658 20 10 DHCDRO CN(c1ccc(OCc2ccccc2)c(F)c1F)C(C)(C)C[NH3+] ZINC001170059540 1023705105 /nfs/dbraw/zinc/70/51/05/1023705105.db2.gz ZLUZPPGGENOTPS-UHFFFAOYSA-N 1 0 320.383 3.717 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000786821859 1023731360 /nfs/dbraw/zinc/73/13/60/1023731360.db2.gz SGEYPJRKEZVGMP-IFXJQAMLSA-N 1 0 316.420 3.758 20 10 DHCDRO CSCC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093558525 1023773668 /nfs/dbraw/zinc/77/36/68/1023773668.db2.gz QBXPNAXBVSKBRY-JTQLQIEISA-N 1 0 318.280 3.728 20 10 DHCDRO COC(C)(C)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000787260160 1023777287 /nfs/dbraw/zinc/77/72/87/1023777287.db2.gz NJSDUCREDPQGHV-UHFFFAOYSA-N 1 0 303.402 3.803 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788260194 1023867382 /nfs/dbraw/zinc/86/73/82/1023867382.db2.gz VQXCLLMQLNXBRJ-HOCLYGCPSA-N 1 0 301.434 3.525 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788503128 1023895860 /nfs/dbraw/zinc/89/58/60/1023895860.db2.gz LYDQQDBKZFOHFE-PKOBYXMFSA-N 1 0 324.468 3.934 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788519952 1023900569 /nfs/dbraw/zinc/90/05/69/1023900569.db2.gz OYCHYJUARVETNK-AWEZNQCLSA-N 1 0 300.402 3.654 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC000788536834 1023901941 /nfs/dbraw/zinc/90/19/41/1023901941.db2.gz HRLZPUHYBPLLKK-WOJBJXKFSA-N 1 0 313.441 3.857 20 10 DHCDRO C[C@H]1CN(c2ccc(C[NH2+]C3CC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000788574769 1023908809 /nfs/dbraw/zinc/90/88/09/1023908809.db2.gz ALUQFSYYRVIXHW-KBPBESRZSA-N 1 0 320.452 3.718 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c(O)c1 ZINC000788574349 1023909128 /nfs/dbraw/zinc/90/91/28/1023909128.db2.gz SSCOQGSHNKFZDO-SJORKVTESA-N 1 0 304.478 3.780 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c(O)c1 ZINC000788574345 1023909490 /nfs/dbraw/zinc/90/94/90/1023909490.db2.gz SSCOQGSHNKFZDO-IAGOWNOFSA-N 1 0 304.478 3.780 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c(O)c1 ZINC000788669895 1023922687 /nfs/dbraw/zinc/92/26/87/1023922687.db2.gz GIBZRIJMHPPQOT-AWEZNQCLSA-N 1 0 311.429 3.570 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1 ZINC000788758413 1023930167 /nfs/dbraw/zinc/93/01/67/1023930167.db2.gz PPGRQZJDWFHSDJ-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c(O)c1 ZINC000788779956 1023939083 /nfs/dbraw/zinc/93/90/83/1023939083.db2.gz ZVCQTWNDLUWALA-HNAYVOBHSA-N 1 0 305.462 3.991 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1F ZINC000788988507 1023960471 /nfs/dbraw/zinc/96/04/71/1023960471.db2.gz RLGQFHSSLWUMGI-LZLYRXPVSA-N 1 0 320.452 3.577 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc2ccccc2c1O ZINC000185373226 1024029374 /nfs/dbraw/zinc/02/93/74/1024029374.db2.gz FXKXXDDTAMEZKD-AWEZNQCLSA-N 1 0 307.393 3.889 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1C ZINC000266180761 1024037874 /nfs/dbraw/zinc/03/78/74/1024037874.db2.gz GEYKXHZTSFWWPV-UHFFFAOYSA-N 1 0 321.424 3.544 20 10 DHCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905961 1033180525 /nfs/dbraw/zinc/18/05/25/1033180525.db2.gz NRYMJALFKQVNSO-QKKBWIMNSA-N 1 0 312.394 3.565 20 10 DHCDRO CN(Cc1cc2ccccc2[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000789750035 1024163078 /nfs/dbraw/zinc/16/30/78/1024163078.db2.gz ZBSORXGONLQOGV-UHFFFAOYSA-N 1 0 323.440 3.745 20 10 DHCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268943480 1024199433 /nfs/dbraw/zinc/19/94/33/1024199433.db2.gz AQDFIMXTDXERLW-JYJNAYRXSA-N 1 0 322.468 3.874 20 10 DHCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000130916795 1024228044 /nfs/dbraw/zinc/22/80/44/1024228044.db2.gz MOHOJMFJWGFQBU-AWEZNQCLSA-N 1 0 309.475 3.723 20 10 DHCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131021908 1024247214 /nfs/dbraw/zinc/24/72/14/1024247214.db2.gz KZRUBLAAGLUGAG-JTQLQIEISA-N 1 0 310.191 3.941 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000876995798 1033201190 /nfs/dbraw/zinc/20/11/90/1033201190.db2.gz INEBUDSZZBJINK-UYAOXDASSA-N 1 0 322.452 3.850 20 10 DHCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000883269841 1024342381 /nfs/dbraw/zinc/34/23/81/1024342381.db2.gz YBFQZQFMKTUWPU-GPMSIDNRSA-N 1 0 302.462 3.753 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276040 1024346950 /nfs/dbraw/zinc/34/69/50/1024346950.db2.gz FHXCZLDOIAMAPI-CJNGLKHVSA-N 1 0 323.820 3.531 20 10 DHCDRO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000178508361 1024364112 /nfs/dbraw/zinc/36/41/12/1024364112.db2.gz NAQJPTWJABTRCI-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000105491800 1024387861 /nfs/dbraw/zinc/38/78/61/1024387861.db2.gz JSHJIIOOUKMOFJ-HNNXBMFYSA-N 1 0 318.214 3.932 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989250 1024411534 /nfs/dbraw/zinc/41/15/34/1024411534.db2.gz AJUNFIXJMRVGNQ-ZFWWWQNUSA-N 1 0 315.816 3.868 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000270648016 1024412532 /nfs/dbraw/zinc/41/25/32/1024412532.db2.gz LCOOTJZQIVRAPV-CRAIPNDOSA-N 1 0 321.461 3.864 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000791000431 1024415286 /nfs/dbraw/zinc/41/52/86/1024415286.db2.gz VXQZUABOKIEAOM-UHFFFAOYSA-N 1 0 300.358 3.515 20 10 DHCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972104 1024420314 /nfs/dbraw/zinc/42/03/14/1024420314.db2.gz DDHAYMRHJXEPNX-BDJLRTHQSA-N 1 0 315.816 3.726 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883387921 1024422546 /nfs/dbraw/zinc/42/25/46/1024422546.db2.gz IGLNHZUDLRTJKH-LPHOPBHVSA-N 1 0 321.424 3.989 20 10 DHCDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000777122033 1033211435 /nfs/dbraw/zinc/21/14/35/1033211435.db2.gz RJAJHHUUXRQBPD-MRXNPFEDSA-N 1 0 302.462 3.897 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]CCCSc1nccs1)CC2 ZINC000132194642 1024460105 /nfs/dbraw/zinc/46/01/05/1024460105.db2.gz FOJAANFGUCPWBG-OAHLLOKOSA-N 1 0 320.483 3.911 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000132213786 1024463545 /nfs/dbraw/zinc/46/35/45/1024463545.db2.gz IOBIMSRYSGSBBP-GFCCVEGCSA-N 1 0 308.472 3.985 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436490 1024506295 /nfs/dbraw/zinc/50/62/95/1024506295.db2.gz DURNDSGGROLMPJ-KBPBESRZSA-N 1 0 316.424 3.951 20 10 DHCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000271447417 1024509522 /nfs/dbraw/zinc/50/95/22/1024509522.db2.gz FEFJZGNXNMXRPR-INIZCTEOSA-N 1 0 312.461 3.744 20 10 DHCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271514339 1024528255 /nfs/dbraw/zinc/52/82/55/1024528255.db2.gz NPKCERUFTYVCHO-IRXDYDNUSA-N 1 0 304.478 3.736 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000317350157 1024529462 /nfs/dbraw/zinc/52/94/62/1024529462.db2.gz HIPNGRSHIHRJBZ-UHFFFAOYSA-N 1 0 320.795 3.507 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545142 1024537231 /nfs/dbraw/zinc/53/72/31/1024537231.db2.gz ZBFKENDSPDFYGU-AUUYWEPGSA-N 1 0 316.420 3.666 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271552623 1024539587 /nfs/dbraw/zinc/53/95/87/1024539587.db2.gz WDDHSWADTILOHH-ZDUSSCGKSA-N 1 0 316.424 3.698 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccccc1O ZINC000271672529 1024560299 /nfs/dbraw/zinc/56/02/99/1024560299.db2.gz GTKZFKYEZWKTFY-INIZCTEOSA-N 1 0 301.386 3.650 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689884961 1024696387 /nfs/dbraw/zinc/69/63/87/1024696387.db2.gz YEXPAWWJPFGTBO-LLVKDONJSA-N 1 0 316.214 3.726 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000134633164 1033232936 /nfs/dbraw/zinc/23/29/36/1033232936.db2.gz LSHLUSPWJOSHDG-JENIJYKNSA-N 1 0 314.473 3.655 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000113331703 1024797465 /nfs/dbraw/zinc/79/74/65/1024797465.db2.gz CGWBGLPFNYLZLI-UHFFFAOYSA-N 1 0 318.804 3.519 20 10 DHCDRO CC1(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793201706 1024918130 /nfs/dbraw/zinc/91/81/30/1024918130.db2.gz QUPXFUNCPCXATQ-UHFFFAOYSA-N 1 0 317.433 3.865 20 10 DHCDRO CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000319991077 1024923162 /nfs/dbraw/zinc/92/31/62/1024923162.db2.gz GJBFIERMUXRNJQ-GOSISDBHSA-N 1 0 314.429 3.896 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230319 1024943537 /nfs/dbraw/zinc/94/35/37/1024943537.db2.gz FWRFTDCKBHHVJN-GWCFXTLKSA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231128 1024943822 /nfs/dbraw/zinc/94/38/22/1024943822.db2.gz LBSHKBYRJIVZOH-JQWIXIFHSA-N 1 0 304.331 3.664 20 10 DHCDRO CCC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000728902077 1024944080 /nfs/dbraw/zinc/94/40/80/1024944080.db2.gz CWSMHBGTBLJGIA-UHFFFAOYSA-N 1 0 313.397 3.706 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](O)c1ccccc1 ZINC000793235905 1024948796 /nfs/dbraw/zinc/94/87/96/1024948796.db2.gz HLXRBWKSKVNPJD-ICSRJNTNSA-N 1 0 313.441 3.996 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000793238711 1024954385 /nfs/dbraw/zinc/95/43/85/1024954385.db2.gz JMMPFUORVAQAKQ-AZUAARDMSA-N 1 0 311.425 3.613 20 10 DHCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877133337 1033249035 /nfs/dbraw/zinc/24/90/35/1033249035.db2.gz FJYMVZKNLHZJMK-AUUYWEPGSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCCc2ccccc2F)c1O ZINC000793347701 1025019046 /nfs/dbraw/zinc/01/90/46/1025019046.db2.gz QDCUKGWGPUEEJO-UHFFFAOYSA-N 1 0 323.795 3.916 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000793350764 1025019521 /nfs/dbraw/zinc/01/95/21/1025019521.db2.gz HEUAUFPSMSWECG-RHSMWYFYSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000793352755 1025020126 /nfs/dbraw/zinc/02/01/26/1025020126.db2.gz NLFXGNJMQGNUHN-WMLDXEAASA-N 1 0 315.388 3.966 20 10 DHCDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)cc1O ZINC000793388601 1025031143 /nfs/dbraw/zinc/03/11/43/1025031143.db2.gz QDOVZRHIYQZXFS-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(C)cc1O ZINC000793573371 1025126124 /nfs/dbraw/zinc/12/61/24/1025126124.db2.gz QDESTUCDAQSFJO-QGZVFWFLSA-N 1 0 309.413 3.860 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000793619663 1025134116 /nfs/dbraw/zinc/13/41/16/1025134116.db2.gz JPXFEBRWCXJHBU-LJQANCHMSA-N 1 0 302.462 3.535 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000793619543 1025135783 /nfs/dbraw/zinc/13/57/83/1025135783.db2.gz GYTAYXFWDROQOC-UHFFFAOYSA-N 1 0 317.351 3.955 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000777130475 1033266314 /nfs/dbraw/zinc/26/63/14/1033266314.db2.gz SUQPBGYFDIPEJN-HUUCEWRRSA-N 1 0 302.462 3.688 20 10 DHCDRO Cc1ccc2nc(C[N@@H+]3CCc4cccc(O)c4C3)ccc2c1 ZINC001137217403 1025280466 /nfs/dbraw/zinc/28/04/66/1025280466.db2.gz WDBYFDNBAYOHKF-UHFFFAOYSA-N 1 0 304.393 3.807 20 10 DHCDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178582315 1025306381 /nfs/dbraw/zinc/30/63/81/1025306381.db2.gz UMPLLSCOLCQTCX-HUUCEWRRSA-N 1 0 308.441 3.605 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C3CC3)CC2)cc1 ZINC000897439453 1025317298 /nfs/dbraw/zinc/31/72/98/1025317298.db2.gz XAYVNZAYIGWXQU-UHFFFAOYSA-N 1 0 302.462 3.690 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464659 1025368808 /nfs/dbraw/zinc/36/88/08/1025368808.db2.gz NTDOIBKRGFCFMG-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000885921223 1025405169 /nfs/dbraw/zinc/40/51/69/1025405169.db2.gz WNUBNIWIGHYUPE-HKUYNNGSSA-N 1 0 302.462 3.724 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000860054390 1033293380 /nfs/dbraw/zinc/29/33/80/1033293380.db2.gz PGFXDXMUUHERMS-QMMMGPOBSA-N 1 0 310.806 3.556 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)c(O)c1 ZINC000886362744 1025603437 /nfs/dbraw/zinc/60/34/37/1025603437.db2.gz KZXWTRPCBVCLDB-KRWDZBQOSA-N 1 0 301.361 3.707 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000886502733 1025658000 /nfs/dbraw/zinc/65/80/00/1025658000.db2.gz LUXBMBQVUOPBRM-LJQANCHMSA-N 1 0 312.461 3.507 20 10 DHCDRO C[N@H+](CCOC1CCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000805731314 1025668906 /nfs/dbraw/zinc/66/89/06/1025668906.db2.gz CUEIROSJQZPOMH-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000894045649 1025670653 /nfs/dbraw/zinc/67/06/53/1025670653.db2.gz ICEVOCHLPLYOJL-JENIJYKNSA-N 1 0 302.462 3.567 20 10 DHCDRO Brc1csc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000070213196 1025686568 /nfs/dbraw/zinc/68/65/68/1025686568.db2.gz JAJYLRKOALGBJN-UHFFFAOYSA-N 1 0 324.243 3.735 20 10 DHCDRO C[N@H+](CCc1ccccn1)Cc1ccc(N2CCCCC2)cc1 ZINC000071004794 1025706161 /nfs/dbraw/zinc/70/61/61/1025706161.db2.gz MCWGKMNLEPXHLZ-UHFFFAOYSA-N 1 0 309.457 3.746 20 10 DHCDRO C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1c(O)cccc1F ZINC000886584184 1025719619 /nfs/dbraw/zinc/71/96/19/1025719619.db2.gz KCYDRFZRKZROQY-ZDUSSCGKSA-N 1 0 318.392 3.645 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000236918480 1025737961 /nfs/dbraw/zinc/73/79/61/1025737961.db2.gz OXASXWOFNBENLZ-UHFFFAOYSA-N 1 0 323.440 3.573 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000236922356 1025744415 /nfs/dbraw/zinc/74/44/15/1025744415.db2.gz GVQZHOKYGQOCDM-FQEVSTJZSA-N 1 0 312.457 3.664 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684387 1025788522 /nfs/dbraw/zinc/78/85/22/1025788522.db2.gz KPBRPZHRIJDUAP-OTYXRUKQSA-N 1 0 302.349 3.735 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806128288 1025791891 /nfs/dbraw/zinc/79/18/91/1025791891.db2.gz QLQBOYUQQKDEDK-HNNXBMFYSA-N 1 0 301.821 3.578 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806128289 1025793087 /nfs/dbraw/zinc/79/30/87/1025793087.db2.gz QLQBOYUQQKDEDK-OAHLLOKOSA-N 1 0 301.821 3.578 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Cl)c2OC)c1 ZINC000897481336 1025802880 /nfs/dbraw/zinc/80/28/80/1025802880.db2.gz CUZCBIWZSCIPOJ-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000729682686 1025940209 /nfs/dbraw/zinc/94/02/09/1025940209.db2.gz ZAFDKDWKUPCFDI-HXUWFJFHSA-N 1 0 323.484 3.507 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000886922054 1025980158 /nfs/dbraw/zinc/98/01/58/1025980158.db2.gz PUIPDJQXCXTIQA-KRWDZBQOSA-N 1 0 317.335 3.650 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1O ZINC000289692712 1026133612 /nfs/dbraw/zinc/13/36/12/1026133612.db2.gz FQNNIQOZIBAYDJ-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289868463 1026209071 /nfs/dbraw/zinc/20/90/71/1026209071.db2.gz RHXUVTUSUBAUGN-SCLBCKFNSA-N 1 0 317.454 3.901 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC000289914950 1026231285 /nfs/dbraw/zinc/23/12/85/1026231285.db2.gz VGDPVULMWOTHLK-SFHVURJKSA-N 1 0 312.413 3.913 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C ZINC000808437274 1026285826 /nfs/dbraw/zinc/28/58/26/1026285826.db2.gz KMPWSZVNVYIUPR-XLIONFOSSA-N 1 0 324.468 3.762 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000808451386 1026292989 /nfs/dbraw/zinc/29/29/89/1026292989.db2.gz NBBKHHYLRJRWRJ-WOJBJXKFSA-N 1 0 310.441 3.763 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000894193525 1026338312 /nfs/dbraw/zinc/33/83/12/1026338312.db2.gz RORLBRDRQJGKMR-DOMZBBRYSA-N 1 0 301.386 3.715 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(CO)c2)c1O ZINC000808691944 1026349549 /nfs/dbraw/zinc/34/95/49/1026349549.db2.gz LCMZUKKINHJJBV-LBPRGKRZSA-N 1 0 305.805 3.697 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808691753 1026350523 /nfs/dbraw/zinc/35/05/23/1026350523.db2.gz NOMVWYGIKQZCIT-DGCLKSJQSA-N 1 0 321.852 3.846 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000808672831 1026353542 /nfs/dbraw/zinc/35/35/42/1026353542.db2.gz SDHDRLGEYFQMLZ-DOMZBBRYSA-N 1 0 322.836 3.901 20 10 DHCDRO COc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808675821 1026353630 /nfs/dbraw/zinc/35/36/30/1026353630.db2.gz UFLNUGLAHGXQSG-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1O ZINC000808677013 1026355578 /nfs/dbraw/zinc/35/55/78/1026355578.db2.gz OJTQJXRNPUXSGM-APHBMKBZSA-N 1 0 308.853 3.631 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1O ZINC000808679628 1026355697 /nfs/dbraw/zinc/35/56/97/1026355697.db2.gz VIVNNEMNDHHYNA-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1O ZINC000808727756 1026358262 /nfs/dbraw/zinc/35/82/62/1026358262.db2.gz JMMRHXFOJDIUEH-RDJZCZTQSA-N 1 0 315.388 3.884 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1O ZINC000808709491 1026359757 /nfs/dbraw/zinc/35/97/57/1026359757.db2.gz WUJJFLNDDDFZPX-LBPRGKRZSA-N 1 0 319.836 3.666 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000808721597 1026367623 /nfs/dbraw/zinc/36/76/23/1026367623.db2.gz PAVALESGFADKJE-FTRWYGJKSA-N 1 0 312.457 3.915 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000808721599 1026367891 /nfs/dbraw/zinc/36/78/91/1026367891.db2.gz PAVALESGFADKJE-TWOQFEAHSA-N 1 0 312.457 3.915 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1O ZINC000808697530 1026372802 /nfs/dbraw/zinc/37/28/02/1026372802.db2.gz MHHSMFOIBZQHAG-LBPRGKRZSA-N 1 0 307.825 3.982 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c1O ZINC000808701412 1026376259 /nfs/dbraw/zinc/37/62/59/1026376259.db2.gz XEXFWSIJZDMKIE-NUTKFTJISA-N 1 0 311.853 3.946 20 10 DHCDRO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1O ZINC000808729357 1026381553 /nfs/dbraw/zinc/38/15/53/1026381553.db2.gz ZAUZJIWPGUBFLR-QMTHXVAHSA-N 1 0 321.779 3.839 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C)cc1O ZINC000280028796 1026575236 /nfs/dbraw/zinc/57/52/36/1026575236.db2.gz HZDTVLHWRJIUBW-HZPDHXFCSA-N 1 0 302.418 3.637 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(C)cc1O ZINC000280095498 1026586678 /nfs/dbraw/zinc/58/66/78/1026586678.db2.gz MSQNFTZTZPRZQL-KRWDZBQOSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000809701179 1026589045 /nfs/dbraw/zinc/58/90/45/1026589045.db2.gz VESDYJMAEZVSNW-CZUORRHYSA-N 1 0 311.853 3.870 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809689611 1026595245 /nfs/dbraw/zinc/59/52/45/1026595245.db2.gz RXTGGFHBMHRINS-KRWDZBQOSA-N 1 0 319.832 3.740 20 10 DHCDRO CN(CCC[N@H+](C)Cc1cc(Cl)ccc1O)Cc1ccco1 ZINC000809718865 1026603562 /nfs/dbraw/zinc/60/35/62/1026603562.db2.gz QLRGPDICIFXFOJ-UHFFFAOYSA-N 1 0 322.836 3.593 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000809724583 1026603728 /nfs/dbraw/zinc/60/37/28/1026603728.db2.gz QJSQAQMGIPDYHX-PXNSSMCTSA-N 1 0 315.505 3.591 20 10 DHCDRO CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(C)cc1O ZINC000280189203 1026607147 /nfs/dbraw/zinc/60/71/47/1026607147.db2.gz SDQHSKPJUSVBPF-KRWDZBQOSA-N 1 0 318.461 3.534 20 10 DHCDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)Cc1ccccc1O ZINC000809737218 1026609814 /nfs/dbraw/zinc/60/98/14/1026609814.db2.gz RHULOCKGZARTOQ-UHFFFAOYSA-N 1 0 318.848 3.609 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cnc(C3CCCC3)s2)c1O ZINC000809739881 1026611435 /nfs/dbraw/zinc/61/14/35/1026611435.db2.gz FTUNJVCAIAWHBB-UHFFFAOYSA-N 1 0 318.442 3.805 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1O ZINC000809740351 1026611524 /nfs/dbraw/zinc/61/15/24/1026611524.db2.gz VCLCMBLOBNIKGR-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000809748424 1026614365 /nfs/dbraw/zinc/61/43/65/1026614365.db2.gz ROQDFBQSGNPJES-HXUWFJFHSA-N 1 0 312.457 3.746 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809755574 1026616848 /nfs/dbraw/zinc/61/68/48/1026616848.db2.gz LCNKCJYFRZTILX-UHFFFAOYSA-N 1 0 321.852 3.717 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758178 1026618277 /nfs/dbraw/zinc/61/82/77/1026618277.db2.gz FQUFZDJKFJHNDP-ZIAGYGMSSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809784390 1026624207 /nfs/dbraw/zinc/62/42/07/1026624207.db2.gz UMEZUMJPBGMDSG-GOSISDBHSA-N 1 0 315.413 3.993 20 10 DHCDRO c1ccc([C@@H]2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)cc1 ZINC000810169442 1026692142 /nfs/dbraw/zinc/69/21/42/1026692142.db2.gz QHOXMOUTXLJUOZ-QUCCMNQESA-N 1 0 309.409 3.631 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1C ZINC000810171041 1026692195 /nfs/dbraw/zinc/69/21/95/1026692195.db2.gz SZWZGIAAYYDYTJ-GOSISDBHSA-N 1 0 317.454 3.648 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217595 1026709670 /nfs/dbraw/zinc/70/96/70/1026709670.db2.gz HYNOGSQZHFBKLX-ZFWWWQNUSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810208438 1026719421 /nfs/dbraw/zinc/71/94/21/1026719421.db2.gz VHDHZGKDUFRBGR-AAEUAGOBSA-N 1 0 303.324 3.631 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810238816 1026725223 /nfs/dbraw/zinc/72/52/23/1026725223.db2.gz NTBPPWXYDILCRG-GWCFXTLKSA-N 1 0 305.340 3.877 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811518438 1027019535 /nfs/dbraw/zinc/01/95/35/1027019535.db2.gz KMHUVLYLQLKKHI-NVXWUHKLSA-N 1 0 321.848 3.888 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC(C)(C)C1 ZINC000811511664 1027025973 /nfs/dbraw/zinc/02/59/73/1027025973.db2.gz QHMDNVACJWHNFF-HNNXBMFYSA-N 1 0 308.441 3.671 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000811511906 1027026605 /nfs/dbraw/zinc/02/66/05/1027026605.db2.gz XGJRFWZTUVTSPD-HNNXBMFYSA-N 1 0 307.434 3.570 20 10 DHCDRO Cc1cccc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1O ZINC000811508507 1027027299 /nfs/dbraw/zinc/02/72/99/1027027299.db2.gz UGWLEBWYHSCXSQ-SFHVURJKSA-N 1 0 308.425 3.685 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000271702815 1027122663 /nfs/dbraw/zinc/12/26/63/1027122663.db2.gz DMIPPKZIVHOLEQ-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157460815 1027304134 /nfs/dbraw/zinc/30/41/34/1027304134.db2.gz VWEHNTCADCZZMV-DNVCBOLYSA-N 1 0 302.462 3.832 20 10 DHCDRO CO[C@](C)(C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000812734253 1027379852 /nfs/dbraw/zinc/37/98/52/1027379852.db2.gz KCYYDFWHMQZONQ-BFUOFWGJSA-N 1 0 303.446 3.737 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC(C)(C)C3)CC2)cc1 ZINC000812842337 1027440236 /nfs/dbraw/zinc/44/02/36/1027440236.db2.gz ICDXCXAOVQONPN-INIZCTEOSA-N 1 0 302.462 3.832 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000812840008 1027440611 /nfs/dbraw/zinc/44/06/11/1027440611.db2.gz FHERIZOHDBNQJE-VAMGGRTRSA-N 1 0 316.489 3.658 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870330 1027471194 /nfs/dbraw/zinc/47/11/94/1027471194.db2.gz GDYNSSQCOMASIB-RDTXWAMCSA-N 1 0 300.450 3.771 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCC(C)(F)F)c1O ZINC000296047816 1027525083 /nfs/dbraw/zinc/52/50/83/1027525083.db2.gz OIZZQTCEWBTNOZ-UHFFFAOYSA-N 1 0 308.166 3.598 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296266860 1027593390 /nfs/dbraw/zinc/59/33/90/1027593390.db2.gz DLZOITYFIJDGTL-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000778120402 1027607299 /nfs/dbraw/zinc/60/72/99/1027607299.db2.gz FVKYEFYSPIQWCF-INIZCTEOSA-N 1 0 319.401 3.560 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)c(OC)c(C)c2)c1 ZINC000813330741 1027609321 /nfs/dbraw/zinc/60/93/21/1027609321.db2.gz FXTDVLPLMMFYJD-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296470229 1027647723 /nfs/dbraw/zinc/64/77/23/1027647723.db2.gz OJTHKPIRHNHWHB-MLGOLLRUSA-N 1 0 313.445 3.990 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876928 1027746999 /nfs/dbraw/zinc/74/69/99/1027746999.db2.gz DTNNKOZACMZYLR-HZMBPMFUSA-N 1 0 319.276 3.937 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000779002754 1027750812 /nfs/dbraw/zinc/75/08/12/1027750812.db2.gz NUQBYWDSJGHHKI-PKOBYXMFSA-N 1 0 315.388 3.619 20 10 DHCDRO C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1noc(-c2ccccc2)n1 ZINC000296986513 1027770774 /nfs/dbraw/zinc/77/07/74/1027770774.db2.gz SDGNWKQZRQXKCM-IUODEOHRSA-N 1 0 321.380 3.780 20 10 DHCDRO FC(F)(F)c1sccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527651172 1027805725 /nfs/dbraw/zinc/80/57/25/1027805725.db2.gz GSXQBWOATJHYON-UHFFFAOYSA-N 1 0 313.344 3.992 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000364591652 1027848687 /nfs/dbraw/zinc/84/86/87/1027848687.db2.gz UFJFGSWNHPAJDR-UQASEVPWSA-N 1 0 324.468 3.699 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000527772440 1027889580 /nfs/dbraw/zinc/88/95/80/1027889580.db2.gz MPUKNTTXZHGFKF-GOSISDBHSA-N 1 0 312.413 3.817 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1O ZINC000814178422 1027915439 /nfs/dbraw/zinc/91/54/39/1027915439.db2.gz PHXYMUIOBXKQNA-HNNXBMFYSA-N 1 0 314.404 3.550 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(F)ccc1O ZINC000527954163 1027987569 /nfs/dbraw/zinc/98/75/69/1027987569.db2.gz YTXMMVUKYLYADC-XJKSGUPXSA-N 1 0 306.425 3.589 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365623111 1027987908 /nfs/dbraw/zinc/98/79/08/1027987908.db2.gz PQZXSOBAFFXADT-NXHRZFHOSA-N 1 0 301.430 3.877 20 10 DHCDRO COCCC1CC[NH+]([C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000527933802 1027993592 /nfs/dbraw/zinc/99/35/92/1027993592.db2.gz IGNJQVSQWYVTDS-DOMZBBRYSA-N 1 0 307.409 3.828 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Cl)cc1O ZINC000528003392 1028030117 /nfs/dbraw/zinc/03/01/17/1028030117.db2.gz SESVYJFRPBWLIK-DOMZBBRYSA-N 1 0 308.853 3.713 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+][C@H](C)c1ccccc1O ZINC000366496682 1028088553 /nfs/dbraw/zinc/08/85/53/1028088553.db2.gz YJPZUEMBVCZQNE-YPMHNXCESA-N 1 0 302.443 3.928 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779063291 1028126943 /nfs/dbraw/zinc/12/69/43/1028126943.db2.gz FRKIHNQBDBZXGV-MORSLUCNSA-N 1 0 320.452 3.626 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779063292 1028127503 /nfs/dbraw/zinc/12/75/03/1028127503.db2.gz FRKIHNQBDBZXGV-VHSSKADRSA-N 1 0 320.452 3.626 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000779087371 1028222272 /nfs/dbraw/zinc/22/22/72/1028222272.db2.gz LBDVSUILGPMSOF-FTLABTOESA-N 1 0 301.361 3.574 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107278 1028286413 /nfs/dbraw/zinc/28/64/13/1028286413.db2.gz XNBJZEHYTSCIKB-DIFFPNOSSA-N 1 0 307.340 3.536 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1OC ZINC000159915203 1028316189 /nfs/dbraw/zinc/31/61/89/1028316189.db2.gz AODBFQJHIJDEJX-HNNXBMFYSA-N 1 0 305.418 3.564 20 10 DHCDRO Cc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1N(C)C ZINC000815052436 1028332807 /nfs/dbraw/zinc/33/28/07/1028332807.db2.gz OMGFOAKYTIYVTM-UHFFFAOYSA-N 1 0 315.505 3.511 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)ccc1N(C)C ZINC000815034486 1028340286 /nfs/dbraw/zinc/34/02/86/1028340286.db2.gz QMRCRBRBGYTWJP-NRFANRHFSA-N 1 0 324.468 3.807 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)ccc1N(C)C ZINC000815068692 1028348504 /nfs/dbraw/zinc/34/85/04/1028348504.db2.gz ZEWPJWOCAWLGDG-LJQANCHMSA-N 1 0 309.457 3.747 20 10 DHCDRO Cc1cc(C[NH+]2CCC(C3CCOCC3)CC2)ccc1N(C)C ZINC000815076059 1028352867 /nfs/dbraw/zinc/35/28/67/1028352867.db2.gz JXZIDPAJSFDWSI-UHFFFAOYSA-N 1 0 316.489 3.700 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)ccc1N(C)C ZINC000815083146 1028357145 /nfs/dbraw/zinc/35/71/45/1028357145.db2.gz JOGSUTRWEAFCAA-FPOVZHCZSA-N 1 0 324.468 3.928 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1c(C)noc1C ZINC000815089518 1028359320 /nfs/dbraw/zinc/35/93/20/1028359320.db2.gz QGIVNAFFEYSAHB-MRXNPFEDSA-N 1 0 301.434 3.907 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1N(C)C ZINC000815089582 1028360148 /nfs/dbraw/zinc/36/01/48/1028360148.db2.gz DSGUMLZSHLLYOE-IBGZPJMESA-N 1 0 309.457 3.521 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c(O)c1 ZINC000368523632 1028366085 /nfs/dbraw/zinc/36/60/85/1028366085.db2.gz VNCFYXSMJJGQGT-WMLDXEAASA-N 1 0 312.413 3.612 20 10 DHCDRO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1N(C)C ZINC000815108803 1028382301 /nfs/dbraw/zinc/38/23/01/1028382301.db2.gz ODSZWXMTTRXXQS-TZMCWYRMSA-N 1 0 300.368 3.834 20 10 DHCDRO COc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000815164296 1028388350 /nfs/dbraw/zinc/38/83/50/1028388350.db2.gz UVGLUSLMRYQDLI-UHFFFAOYSA-N 1 0 318.848 3.747 20 10 DHCDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)s1 ZINC000368740874 1028400876 /nfs/dbraw/zinc/40/08/76/1028400876.db2.gz PTSVMCYPTNLOIL-LBPRGKRZSA-N 1 0 315.486 3.857 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ccccc2F)c(O)c1 ZINC000815554247 1028540298 /nfs/dbraw/zinc/54/02/98/1028540298.db2.gz VTXYELGFJRBUIY-CQSZACIVSA-N 1 0 303.377 3.878 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c(O)c1 ZINC000815557772 1028541365 /nfs/dbraw/zinc/54/13/65/1028541365.db2.gz DDBKHWXFTIGHJO-IRXDYDNUSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878252 1028542405 /nfs/dbraw/zinc/54/24/05/1028542405.db2.gz OWVHLWKADCBOTI-HKUYNNGSSA-N 1 0 315.388 3.576 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c(O)c1 ZINC000815565863 1028546425 /nfs/dbraw/zinc/54/64/25/1028546425.db2.gz BVCNQEYKVMOQPO-JKSUJKDBSA-N 1 0 311.425 3.911 20 10 DHCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1C ZINC000815574085 1028567260 /nfs/dbraw/zinc/56/72/60/1028567260.db2.gz DLMJPGPGBMVRMO-CQSZACIVSA-N 1 0 301.434 3.693 20 10 DHCDRO C[C@H](C[C@H](C)O)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815614826 1028570420 /nfs/dbraw/zinc/57/04/20/1028570420.db2.gz BRYYLGOHWJLTQA-JTDSTZFVSA-N 1 0 313.441 3.815 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1 ZINC000815622027 1028573900 /nfs/dbraw/zinc/57/39/00/1028573900.db2.gz JSZKJBNLLHXYJW-OAHLLOKOSA-N 1 0 303.446 3.602 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000370211908 1028577635 /nfs/dbraw/zinc/57/76/35/1028577635.db2.gz FOUJCXPDJIYLMN-GOSISDBHSA-N 1 0 302.462 3.840 20 10 DHCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000815628885 1028580352 /nfs/dbraw/zinc/58/03/52/1028580352.db2.gz MWHVRGIOYZTNEW-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1cc[nH]c(=O)c1 ZINC000815642726 1028589005 /nfs/dbraw/zinc/58/90/05/1028589005.db2.gz KINSZYJEGCCQHU-CHWSQXEVSA-N 1 0 312.413 3.783 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2c1c(F)ccc2O ZINC000815648523 1028591621 /nfs/dbraw/zinc/59/16/21/1028591621.db2.gz PLNXUDDVRPFVCK-IVMMDQJWSA-N 1 0 321.436 3.858 20 10 DHCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000815651263 1028594547 /nfs/dbraw/zinc/59/45/47/1028594547.db2.gz ORRPYRGYVMPWBB-ZDUSSCGKSA-N 1 0 307.397 3.537 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)CCOc2ccccc2F)cc1C ZINC000748050816 1028777912 /nfs/dbraw/zinc/77/79/12/1028777912.db2.gz CQUBNHISXLSWMR-UHFFFAOYSA-N 1 0 303.377 3.659 20 10 DHCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190223631 1028843135 /nfs/dbraw/zinc/84/31/35/1028843135.db2.gz CHILPFHWJNXJHM-HXUWFJFHSA-N 1 0 316.489 3.661 20 10 DHCDRO Oc1c(C[NH+]2CCN(c3cccs3)CC2)ccc2ccccc21 ZINC000816515532 1028916805 /nfs/dbraw/zinc/91/68/05/1028916805.db2.gz CFDLCIBQTMOGGK-UHFFFAOYSA-N 1 0 324.449 3.929 20 10 DHCDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530049 1028922770 /nfs/dbraw/zinc/92/27/70/1028922770.db2.gz RFGRXCMMWSNBEC-GFCCVEGCSA-N 1 0 314.832 3.539 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC[C@H](C)C1 ZINC000816535611 1028924394 /nfs/dbraw/zinc/92/43/94/1028924394.db2.gz UMSGAQAFWZUJAA-HOTGVXAUSA-N 1 0 312.457 3.755 20 10 DHCDRO CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC1 ZINC000816534842 1028924837 /nfs/dbraw/zinc/92/48/37/1028924837.db2.gz WJOKLMODRNTFTM-LJQANCHMSA-N 1 0 312.457 3.755 20 10 DHCDRO C[NH+](C)CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816550068 1028933698 /nfs/dbraw/zinc/93/36/98/1028933698.db2.gz HJOJVJWGKZSJAK-HNNXBMFYSA-N 1 0 316.848 3.641 20 10 DHCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC000816560435 1028944428 /nfs/dbraw/zinc/94/44/28/1028944428.db2.gz OYDZUZWKHIPSQV-MSOLQXFVSA-N 1 0 313.441 3.774 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2O)cn1 ZINC000816568826 1028949305 /nfs/dbraw/zinc/94/93/05/1028949305.db2.gz RCCZGWFTYUMORG-UHFFFAOYSA-N 1 0 308.381 3.581 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574982 1028952961 /nfs/dbraw/zinc/95/29/61/1028952961.db2.gz YMQMAUJFEUDHGQ-SFHVURJKSA-N 1 0 311.425 3.936 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816608168 1028958618 /nfs/dbraw/zinc/95/86/18/1028958618.db2.gz QZZZNHMPPIJFAR-HXUWFJFHSA-N 1 0 321.420 3.931 20 10 DHCDRO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2O)n1 ZINC000816609859 1028958751 /nfs/dbraw/zinc/95/87/51/1028958751.db2.gz OXYHVVSMLDOAJG-MRXNPFEDSA-N 1 0 309.369 3.574 20 10 DHCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)[C@@H]1[C@@H]1CCCO1 ZINC000816614085 1028965760 /nfs/dbraw/zinc/96/57/60/1028965760.db2.gz MIFPCLDBJVDPMG-PKOBYXMFSA-N 1 0 311.425 3.935 20 10 DHCDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1O)CC3 ZINC000778640452 1029056810 /nfs/dbraw/zinc/05/68/10/1029056810.db2.gz LQEQIHVLNVFUMG-HNNXBMFYSA-N 1 0 306.409 3.829 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(C)cc1O ZINC000373522983 1029068376 /nfs/dbraw/zinc/06/83/76/1029068376.db2.gz OGQJXFGRMMDNQK-WDSOQIARSA-N 1 0 303.446 3.947 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817366725 1029145972 /nfs/dbraw/zinc/14/59/72/1029145972.db2.gz YWVCTXBZCRZLBL-GFCCVEGCSA-N 1 0 317.351 3.874 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000817411690 1029151721 /nfs/dbraw/zinc/15/17/21/1029151721.db2.gz UGLHACJFDMFKCD-REMYHPOOSA-N 1 0 316.514 3.889 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000817412162 1029152536 /nfs/dbraw/zinc/15/25/36/1029152536.db2.gz FBFDHWSHHVPUCO-LBPRGKRZSA-N 1 0 317.351 3.955 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817940265 1029281085 /nfs/dbraw/zinc/28/10/85/1029281085.db2.gz FCYIJLZAFHMYEL-IAGOWNOFSA-N 1 0 303.475 3.555 20 10 DHCDRO Cc1ccc([C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000817942820 1029281856 /nfs/dbraw/zinc/28/18/56/1029281856.db2.gz RBPHIVKOXQIFMW-RTWAWAEBSA-N 1 0 323.484 3.802 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000817939090 1029282815 /nfs/dbraw/zinc/28/28/15/1029282815.db2.gz YRQUSQCUMPRSDS-VQTJNVASSA-N 1 0 311.473 3.802 20 10 DHCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000817938106 1029283553 /nfs/dbraw/zinc/28/35/53/1029283553.db2.gz DQVGICRXSVAHHB-KDOFPFPSSA-N 1 0 323.440 3.849 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817938473 1029284358 /nfs/dbraw/zinc/28/43/58/1029284358.db2.gz LDEDVBCNBZKDLJ-MOPGFXCFSA-N 1 0 315.436 3.632 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817939105 1029284891 /nfs/dbraw/zinc/28/48/91/1029284891.db2.gz ZAVYWEXIJCDQDU-FZKQIMNGSA-N 1 0 317.864 3.757 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000817938628 1029285108 /nfs/dbraw/zinc/28/51/08/1029285108.db2.gz OPXQOPVOYHPBRW-BTYIYWSLSA-N 1 0 323.484 3.592 20 10 DHCDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000817952273 1029294286 /nfs/dbraw/zinc/29/42/86/1029294286.db2.gz DGVBHLFYZITFNF-MSOLQXFVSA-N 1 0 310.441 3.793 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817962150 1029302517 /nfs/dbraw/zinc/30/25/17/1029302517.db2.gz GMNHXLOFOOBYAY-SJKOYZFVSA-N 1 0 302.393 3.792 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817966416 1029304141 /nfs/dbraw/zinc/30/41/41/1029304141.db2.gz NGWZLEPMHFMAGO-ZUZCIYMTSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1[O-] ZINC000817968771 1029307164 /nfs/dbraw/zinc/30/71/64/1029307164.db2.gz MFRQTWYDMUIYPW-KRWDZBQOSA-N 1 0 316.832 3.890 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971528 1029310465 /nfs/dbraw/zinc/31/04/65/1029310465.db2.gz NQKHHXNIHMFRLG-NRUUGDAUSA-N 1 0 317.260 3.880 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(F)ccc1O ZINC000817976207 1029314840 /nfs/dbraw/zinc/31/48/40/1029314840.db2.gz VWYLRWPACGGPHR-GFCCVEGCSA-N 1 0 300.377 3.740 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979975 1029317826 /nfs/dbraw/zinc/31/78/26/1029317826.db2.gz GUCDINSWCIWWMB-GHMZBOCLSA-N 1 0 317.260 3.882 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1 ZINC000818227460 1029356619 /nfs/dbraw/zinc/35/66/19/1029356619.db2.gz KCCMIKMUFCEOSO-UHFFFAOYSA-N 1 0 307.434 3.548 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3CCCC3)C2)cc1 ZINC000818343708 1029375130 /nfs/dbraw/zinc/37/51/30/1029375130.db2.gz DPQOYIRJAFMVGV-CVEARBPZSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000818342174 1029375374 /nfs/dbraw/zinc/37/53/74/1029375374.db2.gz MWBQBYOLMLPAKV-APWZRJJASA-N 1 0 314.473 3.834 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000818361293 1029384816 /nfs/dbraw/zinc/38/48/16/1029384816.db2.gz WFRPVBODVBEBIW-HNCHTBHHSA-N 1 0 310.235 3.912 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000290354901 1030013700 /nfs/dbraw/zinc/01/37/00/1030013700.db2.gz QKBZXDOSYZHSCV-XWCIJXRUSA-N 1 0 305.805 3.818 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC23CCOCC3)cc1 ZINC000865778266 1030019762 /nfs/dbraw/zinc/01/97/62/1030019762.db2.gz ROZRCLHBJYCCJT-WHLIDYPQSA-N 1 0 314.473 3.562 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000290609657 1030125625 /nfs/dbraw/zinc/12/56/25/1030125625.db2.gz WKXIBHORCOMYCJ-UHFFFAOYSA-N 1 0 318.804 3.614 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000866248908 1030178108 /nfs/dbraw/zinc/17/81/08/1030178108.db2.gz UKVRWRXRMHZQTE-FQEVSTJZSA-N 1 0 309.457 3.951 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000866269618 1030192140 /nfs/dbraw/zinc/19/21/40/1030192140.db2.gz LEXSJSARYSPDBQ-KBPBESRZSA-N 1 0 312.504 3.563 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000866405059 1030283607 /nfs/dbraw/zinc/28/36/07/1030283607.db2.gz VKHGHHVOUOHHIY-CRFBAAHOSA-N 1 0 313.397 3.582 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866409551 1030285763 /nfs/dbraw/zinc/28/57/63/1030285763.db2.gz NHXSTRPTXJXZQA-BDJLRTHQSA-N 1 0 323.795 3.959 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000866464733 1030306648 /nfs/dbraw/zinc/30/66/48/1030306648.db2.gz YKIMUBOFQPOMEF-AMJWSMQMSA-N 1 0 313.319 3.508 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(Cl)ccc1O ZINC000866528073 1030344507 /nfs/dbraw/zinc/34/45/07/1030344507.db2.gz BDBVJYRKWYVCBF-STQMWFEESA-N 1 0 309.837 3.903 20 10 DHCDRO CSCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823590748 1030346215 /nfs/dbraw/zinc/34/62/15/1030346215.db2.gz GLPDEQXIGPUOTE-UHFFFAOYSA-N 1 0 306.500 3.837 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540930 1030362083 /nfs/dbraw/zinc/36/20/83/1030362083.db2.gz UEAAEIXZSNJIST-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000823837147 1030408153 /nfs/dbraw/zinc/40/81/53/1030408153.db2.gz PXGGLVJHYPRFJU-ICSRJNTNSA-N 1 0 316.489 3.970 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@]2(C)CCOC2)cc1 ZINC000824044053 1030457893 /nfs/dbraw/zinc/45/78/93/1030457893.db2.gz JBWPEAJUWYCGKO-GOSISDBHSA-N 1 0 316.470 3.653 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@]2(C)CCOC2)cc1 ZINC000824044055 1030458791 /nfs/dbraw/zinc/45/87/91/1030458791.db2.gz JBWPEAJUWYCGKO-SFHVURJKSA-N 1 0 316.470 3.653 20 10 DHCDRO CC[C@H](O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824018878 1030464368 /nfs/dbraw/zinc/46/43/68/1030464368.db2.gz YPACPKKXYVCOAM-KRWDZBQOSA-N 1 0 318.486 3.635 20 10 DHCDRO Cc1ccc([C@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1C ZINC000925755164 1030482641 /nfs/dbraw/zinc/48/26/41/1030482641.db2.gz TXRXRGHVCBWEPB-AWEZNQCLSA-N 1 0 312.413 3.547 20 10 DHCDRO C[C@@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCCCCC2)cc1 ZINC000925770041 1030486438 /nfs/dbraw/zinc/48/64/38/1030486438.db2.gz FFNZQUWTLURBDZ-MRXNPFEDSA-N 1 0 324.472 3.895 20 10 DHCDRO COc1cccc(C[NH2+]C2CCC(OC3CCCC3)CC2)c1O ZINC000824383292 1030543554 /nfs/dbraw/zinc/54/35/54/1030543554.db2.gz LRYDRKLSWZGKAR-UHFFFAOYSA-N 1 0 319.445 3.761 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3c(F)cccc32)c1 ZINC000824468070 1030567627 /nfs/dbraw/zinc/56/76/27/1030567627.db2.gz BKGYOOZLHATICY-KRWDZBQOSA-N 1 0 301.361 3.707 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824468121 1030567644 /nfs/dbraw/zinc/56/76/44/1030567644.db2.gz CGFWPFKJCKCUDB-MRXNPFEDSA-N 1 0 319.351 3.846 20 10 DHCDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824554839 1030583016 /nfs/dbraw/zinc/58/30/16/1030583016.db2.gz NMKGTINUEKGDPK-UHFFFAOYSA-N 1 0 324.468 3.506 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C ZINC000824695937 1030614201 /nfs/dbraw/zinc/61/42/01/1030614201.db2.gz DXJZDXYLDFRYAP-RCCFBDPRSA-N 1 0 303.446 3.525 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000093507399 1030645968 /nfs/dbraw/zinc/64/59/68/1030645968.db2.gz NUDSMGABMNUNJH-IEBWSBKVSA-N 1 0 302.462 3.534 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1 ZINC000824971229 1030689075 /nfs/dbraw/zinc/68/90/75/1030689075.db2.gz PUSDNCCVFTTYFS-CQSZACIVSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CC(c2cccc(Cl)c2)C1 ZINC000824989031 1030696799 /nfs/dbraw/zinc/69/67/99/1030696799.db2.gz YBOFIDJCTQUTPE-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000825017621 1030699798 /nfs/dbraw/zinc/69/97/98/1030699798.db2.gz WCXQMOVQOCOFBS-ZDUSSCGKSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(OC)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825078385 1030720279 /nfs/dbraw/zinc/72/02/79/1030720279.db2.gz ZQDIFSTWGWLQBU-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133919 1030731768 /nfs/dbraw/zinc/73/17/68/1030731768.db2.gz QDSJDLSPNUPAEU-FQEVSTJZSA-N 1 0 314.473 3.679 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000825321168 1030774631 /nfs/dbraw/zinc/77/46/31/1030774631.db2.gz UAAHUWGDAXUHMD-MAZHCROVSA-N 1 0 309.837 3.647 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1Cl ZINC000825332193 1030777763 /nfs/dbraw/zinc/77/77/63/1030777763.db2.gz XLQRTLHJQUTYGV-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO CN(C)c1ccc(CNc2cc[nH+]c3c(O)cccc23)cc1F ZINC000795081064 1030782940 /nfs/dbraw/zinc/78/29/40/1030782940.db2.gz QINTZTCSMFXITC-UHFFFAOYSA-N 1 0 311.360 3.758 20 10 DHCDRO OCC1([C@H]([NH2+]Cc2cc(F)ccc2O)c2cccs2)CCC1 ZINC000825311845 1030785376 /nfs/dbraw/zinc/78/53/76/1030785376.db2.gz OQVPBIWBRUUXQJ-MRXNPFEDSA-N 1 0 321.417 3.586 20 10 DHCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000897525215 1030799331 /nfs/dbraw/zinc/79/93/31/1030799331.db2.gz KOFGUWSFSHZZDG-HNNXBMFYSA-N 1 0 319.367 3.577 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000825391610 1030800118 /nfs/dbraw/zinc/80/01/18/1030800118.db2.gz YYGRKANWBWPHKI-KRWDZBQOSA-N 1 0 316.832 3.630 20 10 DHCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825502124 1030827303 /nfs/dbraw/zinc/82/73/03/1030827303.db2.gz ULNRMMSRCXPATG-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000122793825 1030871078 /nfs/dbraw/zinc/87/10/78/1030871078.db2.gz PHKCSGCJFBOFER-OAHLLOKOSA-N 1 0 300.450 3.689 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000251861072 1030882848 /nfs/dbraw/zinc/88/28/48/1030882848.db2.gz OEYKQTNUKVIIIG-KCUHQSDYSA-N 1 0 314.473 3.895 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1O ZINC000237414239 1030890881 /nfs/dbraw/zinc/89/08/81/1030890881.db2.gz FICFLJAPKCQTGS-SJLPKXTDSA-N 1 0 311.425 3.902 20 10 DHCDRO Cc1c(F)cc(F)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001143769657 1030952806 /nfs/dbraw/zinc/95/28/06/1030952806.db2.gz QOUNBDNWBJTROR-UHFFFAOYSA-N 1 0 319.351 3.633 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccsc1)OCO2 ZINC000054513362 1030982063 /nfs/dbraw/zinc/98/20/63/1030982063.db2.gz IINHQHRJWYQSLP-CYBMUJFWSA-N 1 0 303.383 3.520 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2O ZINC000926915419 1030987229 /nfs/dbraw/zinc/98/72/29/1030987229.db2.gz GNGPLMBIUHOACP-VBVJRUAFSA-N 1 0 305.393 3.628 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc2c(cc1O)CCCC2 ZINC000926937230 1031004432 /nfs/dbraw/zinc/00/44/32/1031004432.db2.gz NYELTMKMHPJYHH-RUGDWHBFSA-N 1 0 313.441 3.513 20 10 DHCDRO CCCC[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844324537 1031067235 /nfs/dbraw/zinc/06/72/35/1031067235.db2.gz VXKZRSWKLODUHK-UHFFFAOYSA-N 1 0 313.445 3.727 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000927070065 1031069635 /nfs/dbraw/zinc/06/96/35/1031069635.db2.gz ZHEUITFFQSIOSU-KDOFPFPSSA-N 1 0 300.450 3.534 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000927072952 1031072314 /nfs/dbraw/zinc/07/23/14/1031072314.db2.gz ZTHHDCYVTBDBBS-MEDUHNTESA-N 1 0 307.825 3.827 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000927098378 1031083328 /nfs/dbraw/zinc/08/33/28/1031083328.db2.gz HQDUZFGXPBVHNI-CQSZACIVSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(Cl)cc1O ZINC000927101051 1031088106 /nfs/dbraw/zinc/08/81/06/1031088106.db2.gz PKIFEMXTKPHRNO-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1OCCc3ccccc31)CC2 ZINC000927113237 1031098061 /nfs/dbraw/zinc/09/80/61/1031098061.db2.gz XUUKSHQOTBCGCZ-MJGOQNOKSA-N 1 0 309.409 3.673 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927137659 1031111537 /nfs/dbraw/zinc/11/15/37/1031111537.db2.gz AGOWSQAXMXQABZ-TVQRCGJNSA-N 1 0 304.365 3.728 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1O ZINC000292726922 1031145753 /nfs/dbraw/zinc/14/57/53/1031145753.db2.gz FYGXFGNSOIEANZ-YVEFUNNKSA-N 1 0 303.427 3.554 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1 ZINC000292742496 1031152968 /nfs/dbraw/zinc/15/29/68/1031152968.db2.gz HOFDIAJNFVPZSL-CVEARBPZSA-N 1 0 311.372 3.658 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)c1O ZINC000293004528 1031286701 /nfs/dbraw/zinc/28/67/01/1031286701.db2.gz PETUVLJXXZNSLM-UHFFFAOYSA-N 1 0 307.340 3.802 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(O)c1C ZINC000274350708 1031294844 /nfs/dbraw/zinc/29/48/44/1031294844.db2.gz GDRAVYHQAVHPBK-PAYONLEZSA-N 1 0 301.430 3.617 20 10 DHCDRO CCn1cc(C[N@H+](Cc2cc(C)cc(C)c2O)C(C)C)cn1 ZINC000844740354 1031309918 /nfs/dbraw/zinc/30/99/18/1031309918.db2.gz YBCBAPXZNQVZIH-UHFFFAOYSA-N 1 0 301.434 3.636 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC3(F)F)C1)CCCC2 ZINC000844749186 1031314966 /nfs/dbraw/zinc/31/49/66/1031314966.db2.gz FPHKDZMDYKWKBQ-KRWDZBQOSA-N 1 0 307.384 3.892 20 10 DHCDRO Cc1nc([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000360262654 1031354491 /nfs/dbraw/zinc/35/44/91/1031354491.db2.gz UXTLNCAHEUPXKT-HNNXBMFYSA-N 1 0 323.396 3.616 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)c2c1c(F)ccc2O ZINC000844920641 1031400623 /nfs/dbraw/zinc/40/06/23/1031400623.db2.gz NKEGAGRHFXRDOF-KFNAQCHYSA-N 1 0 312.388 3.706 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000872030053 1031414511 /nfs/dbraw/zinc/41/45/11/1031414511.db2.gz YDLFTTMYEFIPOX-QUCCMNQESA-N 1 0 316.489 3.972 20 10 DHCDRO CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC1 ZINC001144298804 1031436411 /nfs/dbraw/zinc/43/64/11/1031436411.db2.gz JMTMQCXIQKKVHS-UHFFFAOYSA-N 1 0 316.214 3.916 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000872133933 1031527127 /nfs/dbraw/zinc/52/71/27/1031527127.db2.gz UABYBURQDJKRAB-ULFGMLNVSA-N 1 0 303.377 3.694 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C)c1ccccc1O ZINC000360709352 1031532084 /nfs/dbraw/zinc/53/20/84/1031532084.db2.gz CJEWONZNIJAEOX-BOUXLOLZSA-N 1 0 310.441 3.661 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124021451 1031572288 /nfs/dbraw/zinc/57/22/88/1031572288.db2.gz UPOCOQFCWJTMEN-MRXNPFEDSA-N 1 0 308.441 3.673 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000124028381 1031576722 /nfs/dbraw/zinc/57/67/22/1031576722.db2.gz NMMQYPHOJHZPCG-HXUWFJFHSA-N 1 0 310.441 3.764 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000124048972 1031588435 /nfs/dbraw/zinc/58/84/35/1031588435.db2.gz DXDMGVMYCDGJAN-IBGZPJMESA-N 1 0 310.441 3.928 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000293748318 1031599044 /nfs/dbraw/zinc/59/90/44/1031599044.db2.gz NZHZUOFTHMQDTN-PKOBYXMFSA-N 1 0 311.425 3.692 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000293779544 1031619091 /nfs/dbraw/zinc/61/90/91/1031619091.db2.gz QAZCAPLFCFTFKU-HKUYNNGSSA-N 1 0 311.425 3.835 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000293779545 1031619596 /nfs/dbraw/zinc/61/95/96/1031619596.db2.gz QAZCAPLFCFTFKU-IEBWSBKVSA-N 1 0 311.425 3.835 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000872721188 1031648519 /nfs/dbraw/zinc/64/85/19/1031648519.db2.gz CVVVSILHDMVGFE-TZMCWYRMSA-N 1 0 321.486 3.580 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1C ZINC000873106606 1031713193 /nfs/dbraw/zinc/71/31/93/1031713193.db2.gz BZWPPWJFQJAYHJ-MRXNPFEDSA-N 1 0 305.443 3.669 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c(O)c1 ZINC000873164527 1031734093 /nfs/dbraw/zinc/73/40/93/1031734093.db2.gz ITOSMJPTRDVEQC-UHFFFAOYSA-N 1 0 315.413 3.868 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000873183596 1031744385 /nfs/dbraw/zinc/74/43/85/1031744385.db2.gz VTHKOSDFJZXEHE-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO COC[C@@H](CC(C)(C)C)[NH2+]CCCSc1nccs1 ZINC000845937475 1031783843 /nfs/dbraw/zinc/78/38/43/1031783843.db2.gz BJXMPLKHKDZCFN-GFCCVEGCSA-N 1 0 302.509 3.666 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000845973067 1031788972 /nfs/dbraw/zinc/78/89/72/1031788972.db2.gz VWMHQRHVHOYOAN-ZDUSSCGKSA-N 1 0 301.386 3.574 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000845973445 1031789731 /nfs/dbraw/zinc/78/97/31/1031789731.db2.gz ZRVVBGUOONTGNM-NSHDSACASA-N 1 0 318.442 3.976 20 10 DHCDRO CCOCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)ccc1OC ZINC000897748708 1031810585 /nfs/dbraw/zinc/81/05/85/1031810585.db2.gz BCVZVGNWMKAEEZ-ALOPSCKCSA-N 1 0 321.486 3.748 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846059576 1031816296 /nfs/dbraw/zinc/81/62/96/1031816296.db2.gz YJSVOUVCOAQCAZ-GOSISDBHSA-N 1 0 321.424 3.508 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000846059986 1031817400 /nfs/dbraw/zinc/81/74/00/1031817400.db2.gz QLMSNDNWIZJVEH-SUMDDJOVSA-N 1 0 312.413 3.748 20 10 DHCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)c(F)c2)C(C)C)cn1 ZINC000846056300 1031818008 /nfs/dbraw/zinc/81/80/08/1031818008.db2.gz SWICJGDUGPERIC-UHFFFAOYSA-N 1 0 318.440 3.519 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000846035868 1031826520 /nfs/dbraw/zinc/82/65/20/1031826520.db2.gz KJVGTOVUYIXQIE-NZVBXONLSA-N 1 0 301.789 3.756 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000846053603 1031844208 /nfs/dbraw/zinc/84/42/08/1031844208.db2.gz VCFUAKUBTVWMIY-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846054453 1031849240 /nfs/dbraw/zinc/84/92/40/1031849240.db2.gz BKFDMCJALQTCPT-UHFFFAOYSA-N 1 0 319.836 3.575 20 10 DHCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc3cc[nH]c31)CCC2 ZINC001144718622 1031869833 /nfs/dbraw/zinc/86/98/33/1031869833.db2.gz UCWZPIHNAYRTLF-UHFFFAOYSA-N 1 0 308.381 3.528 20 10 DHCDRO CCOc1cccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1O ZINC000846102975 1031875450 /nfs/dbraw/zinc/87/54/50/1031875450.db2.gz SGMNQTYPWURLMV-GFCCVEGCSA-N 1 0 318.244 3.855 20 10 DHCDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846150918 1031882167 /nfs/dbraw/zinc/88/21/67/1031882167.db2.gz TTYYIJUWXZVXIN-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1O ZINC000846152995 1031885332 /nfs/dbraw/zinc/88/53/32/1031885332.db2.gz WIVHIYAEBSVOMR-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3ccccc3C2)c1O ZINC000846152335 1031886136 /nfs/dbraw/zinc/88/61/36/1031886136.db2.gz RYJYCJAVBURRKE-HUUCEWRRSA-N 1 0 311.425 3.857 20 10 DHCDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCC1 ZINC000846155144 1031888010 /nfs/dbraw/zinc/88/80/10/1031888010.db2.gz VDAUKMJRBLIQLO-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC000846164263 1031893586 /nfs/dbraw/zinc/89/35/86/1031893586.db2.gz NSBKBHAZCADQBU-QRTARXTBSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000846167417 1031895397 /nfs/dbraw/zinc/89/53/97/1031895397.db2.gz JQGQQHUWABDEBX-MCIONIFRSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000846169403 1031896747 /nfs/dbraw/zinc/89/67/47/1031896747.db2.gz DNXIPIPWUCAPEX-AWEZNQCLSA-N 1 0 312.413 3.568 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(OC)c2ccccc2)c1O ZINC000846168175 1031897083 /nfs/dbraw/zinc/89/70/83/1031897083.db2.gz HVDLIUAEHHEZLI-AUUYWEPGSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000846169493 1031897530 /nfs/dbraw/zinc/89/75/30/1031897530.db2.gz RFYWQVMXWZRHSI-JJRVBVJISA-N 1 0 307.434 3.503 20 10 DHCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001142525106 1031898348 /nfs/dbraw/zinc/89/83/48/1031898348.db2.gz XNEYWBXMWPVPIN-CQSZACIVSA-N 1 0 303.352 3.735 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000846169685 1031898265 /nfs/dbraw/zinc/89/82/65/1031898265.db2.gz KAOONCRXSCVFJV-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@H](C)c2cccc(OC)c2O)o1 ZINC000846171075 1031898417 /nfs/dbraw/zinc/89/84/17/1031898417.db2.gz QZEWGDQFIHMQNR-LLVKDONJSA-N 1 0 304.390 3.501 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2c(F)cccc2F)c1O ZINC000846141761 1031900367 /nfs/dbraw/zinc/90/03/67/1031900367.db2.gz SIOBYNKRXPOOCW-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846138437 1031901635 /nfs/dbraw/zinc/90/16/35/1031901635.db2.gz CORYGEWGVZWKPD-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3ccccc3n2)c1O ZINC000846142497 1031904236 /nfs/dbraw/zinc/90/42/36/1031904236.db2.gz UQSQTHOWQSYCPD-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCc2cccc(F)c2)c1O ZINC000846145256 1031905763 /nfs/dbraw/zinc/90/57/63/1031905763.db2.gz MLAZJUBGDPCMOF-CYBMUJFWSA-N 1 0 303.377 3.823 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000846143146 1031906404 /nfs/dbraw/zinc/90/64/04/1031906404.db2.gz HZUDMFQSRZKURG-DOXZYTNZSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c1O ZINC000846147582 1031910899 /nfs/dbraw/zinc/91/08/99/1031910899.db2.gz WCXFBWPFEZFKOL-OFQRWUPVSA-N 1 0 307.434 3.647 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(O)c1C ZINC000846183482 1031916618 /nfs/dbraw/zinc/91/66/18/1031916618.db2.gz OTZXEBRGIZBYFR-DEYYWGMASA-N 1 0 317.404 3.921 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c(O)c1C ZINC000846191197 1031925013 /nfs/dbraw/zinc/92/50/13/1031925013.db2.gz WRIXEFBYIMWGOX-YRNRMSPPSA-N 1 0 313.441 3.956 20 10 DHCDRO Oc1c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)ccc2ccccc21 ZINC000898065063 1031932291 /nfs/dbraw/zinc/93/22/91/1031932291.db2.gz QAIUKJRAZHHPAB-QFBILLFUSA-N 1 0 309.409 3.594 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124843416 1031980412 /nfs/dbraw/zinc/98/04/12/1031980412.db2.gz NYWQKMJWFJMWFE-RBUKOAKNSA-N 1 0 316.420 3.666 20 10 DHCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877465693 1033311596 /nfs/dbraw/zinc/31/15/96/1033311596.db2.gz VFLBZLNETDKRBF-SJLPKXTDSA-N 1 0 316.489 3.706 20 10 DHCDRO CC1(C)CC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC(C)(C)O1 ZINC001172660785 1033312559 /nfs/dbraw/zinc/31/25/59/1033312559.db2.gz XPPUGXQFVLKYMY-UHFFFAOYSA-N 1 0 319.445 3.582 20 10 DHCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1c(C)cccc1O ZINC000877503971 1033328090 /nfs/dbraw/zinc/32/80/90/1033328090.db2.gz YTUBCTWRHPNQTE-INIZCTEOSA-N 1 0 301.361 3.625 20 10 DHCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(O)c1 ZINC000877519671 1033333449 /nfs/dbraw/zinc/33/34/49/1033333449.db2.gz ZEHHAKMEENOLML-HSALFYBXSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)c1O ZINC000877525645 1033336093 /nfs/dbraw/zinc/33/60/93/1033336093.db2.gz KESKCHOYOPGSDB-GOSISDBHSA-N 1 0 315.413 3.657 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3ccccc3n2C)c1 ZINC000877532833 1033341357 /nfs/dbraw/zinc/34/13/57/1033341357.db2.gz ILEMFSFJOLDGIV-ZDUSSCGKSA-N 1 0 310.397 3.743 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000877576937 1033367714 /nfs/dbraw/zinc/36/77/14/1033367714.db2.gz RTVVNURTBGPTDP-UHFFFAOYSA-N 1 0 323.436 3.765 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)c(OC)c1 ZINC000877654957 1033398131 /nfs/dbraw/zinc/39/81/31/1033398131.db2.gz YQSSGQBQXYVOCF-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)CC2 ZINC001172844897 1033415363 /nfs/dbraw/zinc/41/53/63/1033415363.db2.gz VIUOUZQMKVBUJK-LJQANCHMSA-N 1 0 323.436 3.712 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(OC)c1OC ZINC000877708467 1033420119 /nfs/dbraw/zinc/42/01/19/1033420119.db2.gz MXFFUQYLPGCIKS-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172861105 1033431274 /nfs/dbraw/zinc/43/12/74/1033431274.db2.gz PFSDLZDPBBMRQH-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172861106 1033432205 /nfs/dbraw/zinc/43/22/05/1033432205.db2.gz PFSDLZDPBBMRQH-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO CCOP(=O)(CCC[NH2+][C@@H](C)c1ccccc1O)OCC ZINC000877758227 1033434089 /nfs/dbraw/zinc/43/40/89/1033434089.db2.gz OCIAELDXUKZIBJ-ZDUSSCGKSA-N 1 0 315.350 3.699 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1N(C)C)c1ccccc1O ZINC000877758034 1033434761 /nfs/dbraw/zinc/43/47/61/1033434761.db2.gz FRENRLUGPYLYCX-NSHDSACASA-N 1 0 306.356 3.587 20 10 DHCDRO COc1cc2c(c(C[NH2+][C@@H](C)c3ccccc3O)c1)O[C@H](C)C2 ZINC000877757400 1033435345 /nfs/dbraw/zinc/43/53/45/1033435345.db2.gz XQNVZKOGZHYDSU-OLZOCXBDSA-N 1 0 313.397 3.575 20 10 DHCDRO COc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000877757192 1033435822 /nfs/dbraw/zinc/43/58/22/1033435822.db2.gz MVSYSQUQUNHQDN-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]C2(C)CC(F)(F)C2)c1O ZINC000877833927 1033479477 /nfs/dbraw/zinc/47/94/77/1033479477.db2.gz MVKHITKGBWEAIB-UHFFFAOYSA-N 1 0 320.177 3.741 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000927066342 1033487494 /nfs/dbraw/zinc/48/74/94/1033487494.db2.gz BHYWFDYVVHFSJJ-ZBEGNZNMSA-N 1 0 307.825 3.827 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001173041704 1033507598 /nfs/dbraw/zinc/50/75/98/1033507598.db2.gz KPEMWQTWMJYDEU-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO O=C(C[NH2+]C1CCC2(CCCCC2)CC1)c1ccc(O)c(O)c1 ZINC001173116793 1033552339 /nfs/dbraw/zinc/55/23/39/1033552339.db2.gz YQYUQIDOQDDIIS-UHFFFAOYSA-N 1 0 317.429 3.763 20 10 DHCDRO CC[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001173270833 1033639921 /nfs/dbraw/zinc/63/99/21/1033639921.db2.gz CVEDZPZUSDAAQF-QAPCUYQASA-N 1 0 302.462 3.525 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000479431762 1033758692 /nfs/dbraw/zinc/75/86/92/1033758692.db2.gz OFYSNTZZSVBTOJ-IPELMVKDSA-N 1 0 312.457 3.780 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000862485491 1033865164 /nfs/dbraw/zinc/86/51/64/1033865164.db2.gz NOTJSFFSEUKLAF-GOEBONIOSA-N 1 0 319.445 3.500 20 10 DHCDRO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)C1(F)F ZINC000863273983 1034050229 /nfs/dbraw/zinc/05/02/29/1034050229.db2.gz GKHZBCUJPNFWNU-TXEJJXNPSA-N 1 0 306.356 3.664 20 10 DHCDRO CCc1ccc2c(C[NH2+][C@H](C)c3ccccc3O)cc(=O)oc2c1 ZINC000879648227 1034071028 /nfs/dbraw/zinc/07/10/28/1034071028.db2.gz FTASYDGDBVYMTN-CYBMUJFWSA-N 1 0 323.392 3.912 20 10 DHCDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651952 1034074474 /nfs/dbraw/zinc/07/44/74/1034074474.db2.gz QRTVMMGPJWWXRT-STQMWFEESA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651790 1034075113 /nfs/dbraw/zinc/07/51/13/1034075113.db2.gz KTGGKXBQVIAUDF-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000777308242 1034088006 /nfs/dbraw/zinc/08/80/06/1034088006.db2.gz BWXIYSYAIYQLIA-SZVBFZGTSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3cnn(C)c3c2)c(Cl)c1 ZINC001202547854 1034118643 /nfs/dbraw/zinc/11/86/43/1034118643.db2.gz ZQGOVZIUMJLSCW-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1F ZINC000119746777 1034232178 /nfs/dbraw/zinc/23/21/78/1034232178.db2.gz HXHPCGNCASSHEU-MRXNPFEDSA-N 1 0 308.441 3.530 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000178697699 1034258289 /nfs/dbraw/zinc/25/82/89/1034258289.db2.gz LQIIEALQYNTGLX-CVEARBPZSA-N 1 0 314.477 3.635 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)nc1 ZINC000179116384 1034285521 /nfs/dbraw/zinc/28/55/21/1034285521.db2.gz SFTQMBTZNHEKPY-ZDUSSCGKSA-N 1 0 315.848 3.968 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880321139 1034296858 /nfs/dbraw/zinc/29/68/58/1034296858.db2.gz NLPVEMXXNQXFRJ-HNNXBMFYSA-N 1 0 301.459 3.589 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C(C)C ZINC000794647380 1034311520 /nfs/dbraw/zinc/31/15/20/1034311520.db2.gz OYXFFVMKRZQSAW-LIRRHRJNSA-N 1 0 303.446 3.823 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(OCc3ccccc3)CC2)c1O ZINC000179630536 1034321165 /nfs/dbraw/zinc/32/11/65/1034321165.db2.gz NETHYUJBYXAUGS-UHFFFAOYSA-N 1 0 311.425 3.882 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](SC)C3)CC2)cc1 ZINC000128462966 1034345608 /nfs/dbraw/zinc/34/56/08/1034345608.db2.gz OCDNJYIGHVVZBR-QAPCUYQASA-N 1 0 320.502 3.538 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183345460 1034377840 /nfs/dbraw/zinc/37/78/40/1034377840.db2.gz XOHSTVZLQYGUHD-SJLPKXTDSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccccc1O ZINC000183396360 1034383754 /nfs/dbraw/zinc/38/37/54/1034383754.db2.gz GGRHMOVDMZHYTA-LPHOPBHVSA-N 1 0 310.441 3.880 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000183439903 1034385839 /nfs/dbraw/zinc/38/58/39/1034385839.db2.gz XQJBBTIHEBQUTL-CZUORRHYSA-N 1 0 313.397 3.965 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@H](C)c1ccccc1O ZINC000183448722 1034389133 /nfs/dbraw/zinc/38/91/33/1034389133.db2.gz PWNUROAUNBZBFZ-CQSZACIVSA-N 1 0 300.402 3.817 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(C)cc1O ZINC000794795120 1034466336 /nfs/dbraw/zinc/46/63/36/1034466336.db2.gz OHXULSNDYUQLCY-MRXNPFEDSA-N 1 0 303.377 3.959 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccccc1OC)c1ccc(C)cc1O ZINC000794797378 1034467691 /nfs/dbraw/zinc/46/76/91/1034467691.db2.gz YGXZQETVVBNAKC-MRXNPFEDSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800631 1034472220 /nfs/dbraw/zinc/47/22/20/1034472220.db2.gz DOHYWUNHPZEZFA-LJQANCHMSA-N 1 0 312.457 3.873 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccc(C)cc1O ZINC000794802167 1034473243 /nfs/dbraw/zinc/47/32/43/1034473243.db2.gz MXGSKONPZPDBOK-SFHVURJKSA-N 1 0 323.440 3.940 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794805553 1034490486 /nfs/dbraw/zinc/49/04/86/1034490486.db2.gz XEUYIGMGNXGYHW-FZKQIMNGSA-N 1 0 315.461 3.723 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000184840067 1034504928 /nfs/dbraw/zinc/50/49/28/1034504928.db2.gz YCNAZFUXMKLOEQ-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000184885126 1034510562 /nfs/dbraw/zinc/51/05/62/1034510562.db2.gz XDAJMMAFDVGKTA-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1O ZINC000794809231 1034517300 /nfs/dbraw/zinc/51/73/00/1034517300.db2.gz DNRFCVPVPGHATI-ZWKOTPCHSA-N 1 0 324.424 3.547 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000185009482 1034518933 /nfs/dbraw/zinc/51/89/33/1034518933.db2.gz PQBXJPBPKNAYEB-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000184984071 1034519264 /nfs/dbraw/zinc/51/92/64/1034519264.db2.gz XWNBJBMYZYGPHB-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000185095453 1034526895 /nfs/dbraw/zinc/52/68/95/1034526895.db2.gz ZRUWTOGNLVFWGA-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093712 1034526976 /nfs/dbraw/zinc/52/69/76/1034526976.db2.gz XYOWEWRBVPIOLV-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C)cc1O ZINC000794816793 1034536913 /nfs/dbraw/zinc/53/69/13/1034536913.db2.gz KQKZIYHCLKEZSX-MJGOQNOKSA-N 1 0 313.441 3.735 20 10 DHCDRO Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc[nH+]1 ZINC001174654212 1034557445 /nfs/dbraw/zinc/55/74/45/1034557445.db2.gz WLYGTJLTKVTGJM-QNUODCBWSA-N 1 0 304.357 3.658 20 10 DHCDRO Cc1cc(Nc2c(Cl)ccc(Br)c2O)cc[nH+]1 ZINC001174660061 1034558469 /nfs/dbraw/zinc/55/84/69/1034558469.db2.gz FHJGZHXUYYCRMC-UHFFFAOYSA-N 1 0 313.582 3.677 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000185669968 1034565171 /nfs/dbraw/zinc/56/51/71/1034565171.db2.gz KZVFGLQKWAOGKC-KOLCDFICSA-N 1 0 303.880 3.545 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000185738374 1034571555 /nfs/dbraw/zinc/57/15/55/1034571555.db2.gz RBVUXWGGPDDXAR-JFIYKMOQSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000185739021 1034571578 /nfs/dbraw/zinc/57/15/78/1034571578.db2.gz ZFFVSBSMLMTRBH-DZKIICNBSA-N 1 0 317.404 3.737 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000186093530 1034599484 /nfs/dbraw/zinc/59/94/84/1034599484.db2.gz FMEQZSFCRRYQGP-IYOUNJFTSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000186129293 1034601493 /nfs/dbraw/zinc/60/14/93/1034601493.db2.gz HRANTTVWOGNSJJ-KGLIPLIRSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000186131078 1034601541 /nfs/dbraw/zinc/60/15/41/1034601541.db2.gz WNNJUJFPCCLOJP-JSGCOSHPSA-N 1 0 309.413 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534121 1034639439 /nfs/dbraw/zinc/63/94/39/1034639439.db2.gz HVSSIWUCVFZPPO-DLBZAZTESA-N 1 0 302.418 3.510 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(F)ccc1O ZINC000186610203 1034648796 /nfs/dbraw/zinc/64/87/96/1034648796.db2.gz SDHDAZSXMRAHSR-LBPRGKRZSA-N 1 0 303.377 3.610 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccccc2F)C2CC2)c1O ZINC000120567871 1034662193 /nfs/dbraw/zinc/66/21/93/1034662193.db2.gz BSIXWRRVPYLSPU-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO COCCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187012469 1034679370 /nfs/dbraw/zinc/67/93/70/1034679370.db2.gz LRVZIDURTUXIOT-NSHDSACASA-N 1 0 316.239 3.540 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccncc2CC)c1O ZINC000773430332 1034695093 /nfs/dbraw/zinc/69/50/93/1034695093.db2.gz YDJPKXRVZXSBGQ-ZDUSSCGKSA-N 1 0 300.402 3.599 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000191854524 1034766833 /nfs/dbraw/zinc/76/68/33/1034766833.db2.gz SFTOWVSIRIKKLS-WTANOLMUSA-N 1 0 315.388 3.960 20 10 DHCDRO Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc(C)[nH+]1 ZINC001176054625 1035198014 /nfs/dbraw/zinc/19/80/14/1035198014.db2.gz JLQFPEQGGQGYMU-SBQQNHAOSA-N 1 0 318.384 3.966 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1F ZINC001177869401 1035394475 /nfs/dbraw/zinc/39/44/75/1035394475.db2.gz BQQJCNKTCGLTNZ-QAPCUYQASA-N 1 0 322.468 3.823 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C2(CO)CCCC2)cc1 ZINC001177955173 1035402928 /nfs/dbraw/zinc/40/29/28/1035402928.db2.gz MQIPDJZCFQOPHD-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO CC(C)([NH3+])c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000904470615 1035417557 /nfs/dbraw/zinc/41/75/57/1035417557.db2.gz NJTFQXJSXKUZKX-UHFFFAOYSA-N 1 0 308.784 3.991 20 10 DHCDRO CCC(CC)(CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001178553673 1035436262 /nfs/dbraw/zinc/43/62/62/1035436262.db2.gz RJYOACKGORDBDK-UHFFFAOYSA-N 1 0 323.477 3.729 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000773752139 1035437240 /nfs/dbraw/zinc/43/72/40/1035437240.db2.gz IBRMAXYHIAZOFP-QGZVFWFLSA-N 1 0 312.457 3.526 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(Cl)c1 ZINC001178773646 1035449115 /nfs/dbraw/zinc/44/91/15/1035449115.db2.gz BEXUBUGXBFHYIK-RHSMWYFYSA-N 1 0 313.869 3.733 20 10 DHCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179082398 1035464933 /nfs/dbraw/zinc/46/49/33/1035464933.db2.gz YICSWRDDOUIDQX-CXAGYDPISA-N 1 0 323.477 3.585 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC001179965890 1035561806 /nfs/dbraw/zinc/56/18/06/1035561806.db2.gz BYSHJKRWPUMKIZ-INIZCTEOSA-N 1 0 313.445 3.629 20 10 DHCDRO CSCC[C@H](C)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001180017609 1035568359 /nfs/dbraw/zinc/56/83/59/1035568359.db2.gz HXVUIBJRIVQYLE-NSHDSACASA-N 1 0 302.434 3.604 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180042985 1035571915 /nfs/dbraw/zinc/57/19/15/1035571915.db2.gz NQJIOXOWLZKFFU-CKEIUWERSA-N 1 0 322.880 3.883 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)cc1 ZINC000773855567 1035659457 /nfs/dbraw/zinc/65/94/57/1035659457.db2.gz ICZSJWGOQOOFQN-KRWDZBQOSA-N 1 0 304.478 3.781 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)CO1 ZINC001193838305 1035737571 /nfs/dbraw/zinc/73/75/71/1035737571.db2.gz ITSCSCQECXMJBM-QGZVFWFLSA-N 1 0 303.446 3.954 20 10 DHCDRO Oc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)c(O)c1 ZINC001204279539 1035765675 /nfs/dbraw/zinc/76/56/75/1035765675.db2.gz ANFMNUBOGBFEBK-UHFFFAOYSA-N 1 0 312.413 3.828 20 10 DHCDRO C[C@@H](NCc1cc(Cl)ccc1O)c1nc(C(C)(C)C)no1 ZINC000174662598 1035816468 /nfs/dbraw/zinc/81/64/68/1035816468.db2.gz NMKHHVAOIHXMDC-SECBINFHSA-N 1 0 309.797 3.577 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC001181419303 1035904852 /nfs/dbraw/zinc/90/48/52/1035904852.db2.gz YVOBMYJTTBYGQK-FUHWJXTLSA-N 1 0 321.367 3.662 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc3nccn32)cc1 ZINC000775646251 1036175430 /nfs/dbraw/zinc/17/54/30/1036175430.db2.gz GDYDTRHHZDISBU-UHFFFAOYSA-N 1 0 322.456 3.813 20 10 DHCDRO COC1CCC(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182433574 1036291423 /nfs/dbraw/zinc/29/14/23/1036291423.db2.gz KFOUXPFVSYSMQF-VXESANQCSA-N 1 0 318.505 3.787 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000774400039 1036318233 /nfs/dbraw/zinc/31/82/33/1036318233.db2.gz RJYRTRAMICUEFE-RDJZCZTQSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000774402549 1036320468 /nfs/dbraw/zinc/32/04/68/1036320468.db2.gz RJYRTRAMICUEFE-NVXWUHKLSA-N 1 0 323.795 3.959 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1O ZINC000775669101 1036320802 /nfs/dbraw/zinc/32/08/02/1036320802.db2.gz FIIGROWJQVICEZ-AZUAARDMSA-N 1 0 311.425 3.789 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC[C@@H](C)C2)cc1 ZINC001195790683 1036348865 /nfs/dbraw/zinc/34/88/65/1036348865.db2.gz VKIRIRFCRGYNHI-IAGOWNOFSA-N 1 0 304.478 3.890 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000774486039 1036357376 /nfs/dbraw/zinc/35/73/76/1036357376.db2.gz UPIGDTBFCDCQPR-PVUWLOKVSA-N 1 0 315.388 3.711 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)C2)cc1 ZINC001182509858 1036369999 /nfs/dbraw/zinc/36/99/99/1036369999.db2.gz YJRQSQVLMRGWLN-CVEARBPZSA-N 1 0 304.478 3.793 20 10 DHCDRO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000102424072 1036517100 /nfs/dbraw/zinc/51/71/00/1036517100.db2.gz ZPYBVVWVDCOEBG-OBGWFSINSA-N 1 0 322.452 3.716 20 10 DHCDRO Cc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000775720244 1036545831 /nfs/dbraw/zinc/54/58/31/1036545831.db2.gz JPURWHKIGBBOII-OAHLLOKOSA-N 1 0 322.880 3.662 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccccc1O ZINC001183354422 1036571687 /nfs/dbraw/zinc/57/16/87/1036571687.db2.gz BHAUARWSBKUKRM-YQVWRLOYSA-N 1 0 324.468 3.953 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)c1 ZINC000775727009 1036571877 /nfs/dbraw/zinc/57/18/77/1036571877.db2.gz DYSSNWJNUGZTFO-BBRMVZONSA-N 1 0 301.386 3.967 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153457321 1036602302 /nfs/dbraw/zinc/60/23/02/1036602302.db2.gz GCUNUSFFCDOXTK-GOSISDBHSA-N 1 0 324.468 3.996 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]12 ZINC000915208380 1036707121 /nfs/dbraw/zinc/70/71/21/1036707121.db2.gz GCBDKQPHDXYMLU-SNPRPXQTSA-N 1 0 303.402 3.522 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000163589679 1036711615 /nfs/dbraw/zinc/71/16/15/1036711615.db2.gz CFAMUHCOBHDQCJ-UHFFFAOYSA-N 1 0 302.487 3.518 20 10 DHCDRO Oc1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)cc1O ZINC001203875602 1036757683 /nfs/dbraw/zinc/75/76/83/1036757683.db2.gz RSKYKUJOENSTOY-UHFFFAOYSA-N 1 0 309.409 3.578 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)CCc2ccccc2F)c1O ZINC000754726013 1036757796 /nfs/dbraw/zinc/75/77/96/1036757796.db2.gz JWJXKPHFSRXSNE-UHFFFAOYSA-N 1 0 303.377 3.523 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000103854969 1036762314 /nfs/dbraw/zinc/76/23/14/1036762314.db2.gz BPTRAKQZPQFDBD-IBGZPJMESA-N 1 0 310.441 3.627 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1 ZINC000762454160 1036770456 /nfs/dbraw/zinc/77/04/56/1036770456.db2.gz BKVMATCUXXLJFN-UHFFFAOYSA-N 1 0 321.461 3.864 20 10 DHCDRO Oc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1O ZINC001203878449 1036782591 /nfs/dbraw/zinc/78/25/91/1036782591.db2.gz ABFQWWKBLDXZDK-UHFFFAOYSA-N 1 0 312.413 3.828 20 10 DHCDRO CCc1nnc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000762631996 1036879684 /nfs/dbraw/zinc/87/96/84/1036879684.db2.gz UOKXQASEHKHWPN-CYBMUJFWSA-N 1 0 322.412 3.591 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cncs1 ZINC000163598130 1036904461 /nfs/dbraw/zinc/90/44/61/1036904461.db2.gz ATTCGLASVUJCGD-CYBMUJFWSA-N 1 0 319.499 3.547 20 10 DHCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833702 1036989566 /nfs/dbraw/zinc/98/95/66/1036989566.db2.gz KNOBMLLGHVVJKA-KUHUBIRLSA-N 1 0 316.420 3.584 20 10 DHCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000774832207 1037046744 /nfs/dbraw/zinc/04/67/44/1037046744.db2.gz LASAEJNJAWVJLE-YLJYHZDGSA-N 1 0 311.425 3.964 20 10 DHCDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001199052960 1037189635 /nfs/dbraw/zinc/18/96/35/1037189635.db2.gz QGJWLLSWJGCBRM-MRXNPFEDSA-N 1 0 315.461 3.998 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(OC)cn2)cc1 ZINC000775928875 1037193546 /nfs/dbraw/zinc/19/35/46/1037193546.db2.gz GLUXMKZKXKYHGK-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168500804 1037227393 /nfs/dbraw/zinc/22/73/93/1037227393.db2.gz MNZVACWGEPHAJR-CYBMUJFWSA-N 1 0 315.388 3.616 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)nc1 ZINC000775972696 1037277105 /nfs/dbraw/zinc/27/71/05/1037277105.db2.gz PCRUZNGTJOVULF-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203636136 1037365308 /nfs/dbraw/zinc/36/53/08/1037365308.db2.gz PRBNYZOYBROSGU-VXGBXAGGSA-N 1 0 310.235 3.777 20 10 DHCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000105495013 1037414398 /nfs/dbraw/zinc/41/43/98/1037414398.db2.gz VDCPSVBHPLDXNX-UHFFFAOYSA-N 1 0 315.413 3.520 20 10 DHCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001201418938 1037658334 /nfs/dbraw/zinc/65/83/34/1037658334.db2.gz TWWFNNXCBAOGKJ-HNNXBMFYSA-N 1 0 310.441 3.901 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775136872 1037684663 /nfs/dbraw/zinc/68/46/63/1037684663.db2.gz NIOQKZYQRXJJGL-QMMMGPOBSA-N 1 0 311.706 3.959 20 10 DHCDRO CCCN(Cc1csc(C2CC2)n1)c1ccc(C[NH3+])cc1 ZINC000775139514 1037702278 /nfs/dbraw/zinc/70/22/78/1037702278.db2.gz BQADDQGGWJXOAU-UHFFFAOYSA-N 1 0 301.459 3.896 20 10 DHCDRO CCCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000913064398 1037714073 /nfs/dbraw/zinc/71/40/73/1037714073.db2.gz RAHPBTOZMDVWCS-UHFFFAOYSA-N 1 0 301.386 3.564 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000151197114 1037759252 /nfs/dbraw/zinc/75/92/52/1037759252.db2.gz OFANUBOISZFVOP-GOSISDBHSA-N 1 0 313.445 3.787 20 10 DHCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001201617251 1037815102 /nfs/dbraw/zinc/81/51/02/1037815102.db2.gz HBXRLIYDKQMPRB-DLBZAZTESA-N 1 0 308.441 3.575 20 10 DHCDRO COc1ccc(C[NH2+]CCOc2cccc(Cl)c2)cc1C ZINC000916845875 1037996590 /nfs/dbraw/zinc/99/65/90/1037996590.db2.gz SPOYOPRTSQFHKE-UHFFFAOYSA-N 1 0 305.805 3.826 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccccc1O ZINC000156349107 1038048056 /nfs/dbraw/zinc/04/80/56/1038048056.db2.gz GITHLZMTBPBJGQ-AYBZRNKSSA-N 1 0 313.441 3.988 20 10 DHCDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000775305490 1038207573 /nfs/dbraw/zinc/20/75/73/1038207573.db2.gz KGLURLFJOQRNAR-FXAWDEMLSA-N 1 0 314.473 3.605 20 10 DHCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1=CCCCC1 ZINC000775318035 1038210581 /nfs/dbraw/zinc/21/05/81/1038210581.db2.gz DKJPWJLOXNAQNK-UHFFFAOYSA-N 1 0 303.402 3.737 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000164608958 1038225435 /nfs/dbraw/zinc/22/54/35/1038225435.db2.gz OVTDAILTJFWPST-UHFFFAOYSA-N 1 0 304.459 3.919 20 10 DHCDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)n2c1 ZINC000775361198 1038273319 /nfs/dbraw/zinc/27/33/19/1038273319.db2.gz BEWJHVHMEVXQKY-HNNXBMFYSA-N 1 0 308.429 3.560 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000775369300 1038284018 /nfs/dbraw/zinc/28/40/18/1038284018.db2.gz NCBIDFNKDPGZRU-LBPRGKRZSA-N 1 0 321.804 3.784 20 10 DHCDRO CCc1cccc(OCC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775371765 1038285183 /nfs/dbraw/zinc/28/51/83/1038285183.db2.gz RMDNHFROGNYAQT-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(N(C)C)cc1 ZINC000164803239 1038306135 /nfs/dbraw/zinc/30/61/35/1038306135.db2.gz ZBCWXLXVTUQZLR-SFHVURJKSA-N 1 0 314.477 3.846 20 10 DHCDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1O ZINC000775485344 1038552298 /nfs/dbraw/zinc/55/22/98/1038552298.db2.gz RCTXCRFXIQBGNX-MRXNPFEDSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)ccc1O ZINC000775492124 1038560667 /nfs/dbraw/zinc/56/06/67/1038560667.db2.gz MCNXEXHRDWKZCP-HNNXBMFYSA-N 1 0 307.825 3.751 20 10 DHCDRO CC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1O ZINC000775488326 1038562585 /nfs/dbraw/zinc/56/25/85/1038562585.db2.gz REXALGBPOLGNKB-HXUWFJFHSA-N 1 0 324.468 3.881 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000775488557 1038562654 /nfs/dbraw/zinc/56/26/54/1038562654.db2.gz IXUPVSHEZIDLJC-BPQIPLTHSA-N 1 0 317.816 3.745 20 10 DHCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CCCO1 ZINC000057100951 1038565063 /nfs/dbraw/zinc/56/50/63/1038565063.db2.gz UQUCDTDACFESTC-INIZCTEOSA-N 1 0 315.413 3.555 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)ccc1O ZINC000775489373 1038566419 /nfs/dbraw/zinc/56/64/19/1038566419.db2.gz YWGCJAGRDISCEH-AWEZNQCLSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775499639 1038583970 /nfs/dbraw/zinc/58/39/70/1038583970.db2.gz LJVWVJJENWXGDM-HNNXBMFYSA-N 1 0 307.825 3.637 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000775522714 1038632217 /nfs/dbraw/zinc/63/22/17/1038632217.db2.gz YMVCSTBJLBIRHV-KGLIPLIRSA-N 1 0 305.809 3.887 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cc(Cl)ccc1O ZINC000775531707 1038668183 /nfs/dbraw/zinc/66/81/83/1038668183.db2.gz MPNBXFKNBFSQBX-ZBFHGGJFSA-N 1 0 311.853 3.883 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000157523979 1039030940 /nfs/dbraw/zinc/03/09/40/1039030940.db2.gz ABIFKLQRYKOOHC-QGZVFWFLSA-N 1 0 316.489 3.828 20 10 DHCDRO CN(Cc1ccc(F)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223224 1040800500 /nfs/dbraw/zinc/80/05/00/1040800500.db2.gz NNIXRRYKBZTUCU-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1O ZINC000236955650 202091390 /nfs/dbraw/zinc/09/13/90/202091390.db2.gz GTGAMXBECHIOEU-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000059180854 184135462 /nfs/dbraw/zinc/13/54/62/184135462.db2.gz HHFLUQOOTJJIQC-UHFFFAOYSA-N 1 0 303.475 3.796 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1O ZINC000272859720 130069595 /nfs/dbraw/zinc/06/95/95/130069595.db2.gz MKEMBTNUNALLJM-OSRJUQGESA-N 1 0 303.427 3.541 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1O ZINC000272875610 130070940 /nfs/dbraw/zinc/07/09/40/130070940.db2.gz POUVPNGPSABCFO-OAHLLOKOSA-N 1 0 311.429 3.628 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000273427470 130120762 /nfs/dbraw/zinc/12/07/62/130120762.db2.gz UOXQYUUEPXHVFC-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000273452853 130124075 /nfs/dbraw/zinc/12/40/75/130124075.db2.gz GKHYSHRBVMPBCK-DZKIICNBSA-N 1 0 307.434 3.645 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c(O)c1C ZINC000273449316 130124320 /nfs/dbraw/zinc/12/43/20/130124320.db2.gz FSTCXVMMTOIDIG-NJSLBKSFSA-N 1 0 317.404 3.921 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273452856 130124433 /nfs/dbraw/zinc/12/44/33/130124433.db2.gz GKHYSHRBVMPBCK-SQWLQELKSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273482570 130125884 /nfs/dbraw/zinc/12/58/84/130125884.db2.gz MKPIVZTVKJCDOJ-MEBBXXQBSA-N 1 0 313.319 3.509 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500977 130128998 /nfs/dbraw/zinc/12/89/98/130128998.db2.gz QDFBMKMUESISND-CABCVRRESA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273563045 130137148 /nfs/dbraw/zinc/13/71/48/130137148.db2.gz ISEUGNVRSCYXPA-WFASDCNBSA-N 1 0 301.434 3.501 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1 ZINC000273839877 130174685 /nfs/dbraw/zinc/17/46/85/130174685.db2.gz QWFYZHVPNMOMCP-UHFFFAOYSA-N 1 0 324.468 3.673 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1O ZINC000274787301 130262811 /nfs/dbraw/zinc/26/28/11/130262811.db2.gz QPJAMTBZEWWTSL-SRMJIJMDSA-N 1 0 317.454 3.932 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1O ZINC000284327075 131070321 /nfs/dbraw/zinc/07/03/21/131070321.db2.gz KLCPNUFYTDOOPP-ZDUSSCGKSA-N 1 0 308.328 3.630 20 10 DHCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287173085 131267861 /nfs/dbraw/zinc/26/78/61/131267861.db2.gz USZFKUXQPKCIKE-OAHLLOKOSA-N 1 0 318.436 3.813 20 10 DHCDRO CCCC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O ZINC000289546008 131394477 /nfs/dbraw/zinc/39/44/77/131394477.db2.gz FWYSHFDSEMPOKV-CYBMUJFWSA-N 1 0 320.458 3.704 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000297386598 132013549 /nfs/dbraw/zinc/01/35/49/132013549.db2.gz RKXNCHIWIZFMHW-KOLCDFICSA-N 1 0 309.303 3.539 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000297654452 132027428 /nfs/dbraw/zinc/02/74/28/132027428.db2.gz KICMVALNJHTTFQ-SFHVURJKSA-N 1 0 311.425 3.966 20 10 DHCDRO C[C@@H](CCCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295659751 335136539 /nfs/dbraw/zinc/13/65/39/335136539.db2.gz JHVFPTFVSJOOKM-HNNXBMFYSA-N 1 0 318.486 3.635 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297129010 335150713 /nfs/dbraw/zinc/15/07/13/335150713.db2.gz YVOIFTFPXHYNKB-OSAQELSMSA-N 1 0 303.427 3.543 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000281210498 334124091 /nfs/dbraw/zinc/12/40/91/334124091.db2.gz UEBMMPDZQRSTIK-VIFPVBQESA-N 1 0 305.752 3.579 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282800585 334137119 /nfs/dbraw/zinc/13/71/19/334137119.db2.gz XCBFGAMDCLOJAP-LJQANCHMSA-N 1 0 314.473 3.726 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000290322043 334172408 /nfs/dbraw/zinc/17/24/08/334172408.db2.gz DBCFCTRUOHRECW-UHFFFAOYSA-N 1 0 321.852 3.717 20 10 DHCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000295076415 334217628 /nfs/dbraw/zinc/21/76/28/334217628.db2.gz SSBWJJFBWWIWER-MRXNPFEDSA-N 1 0 324.472 3.669 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000192936146 336285233 /nfs/dbraw/zinc/28/52/33/336285233.db2.gz JTGFMKWWZZCXOP-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1cc(F)ccc1O ZINC000368582105 336848433 /nfs/dbraw/zinc/84/84/33/336848433.db2.gz DTEBVKXDXWXRIN-FJHFEUQMSA-N 1 0 305.324 3.843 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000368795963 336852906 /nfs/dbraw/zinc/85/29/06/336852906.db2.gz HYLZKQHSVNZTTA-AEFFLSMTSA-N 1 0 319.445 3.503 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000370061378 336876844 /nfs/dbraw/zinc/87/68/44/336876844.db2.gz TYYCBIOWTNPFSD-UHFFFAOYSA-N 1 0 314.473 3.868 20 10 DHCDRO Cc1csc(NC2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000373489092 336962126 /nfs/dbraw/zinc/96/21/26/336962126.db2.gz ILZPZFDYQXAGRR-UHFFFAOYSA-N 1 0 317.458 3.542 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(C)cc1O ZINC000373522985 336963652 /nfs/dbraw/zinc/96/36/52/336963652.db2.gz OGQJXFGRMMDNQK-YTQUADARSA-N 1 0 303.446 3.947 20 10 DHCDRO COc1cccc([C@@H]([NH2+]Cc2ccccc2O)c2ccccn2)c1 ZINC000375073278 337002598 /nfs/dbraw/zinc/00/25/98/337002598.db2.gz DUSLQVJDLXEFBM-HXUWFJFHSA-N 1 0 320.392 3.675 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000375127249 337003957 /nfs/dbraw/zinc/00/39/57/337003957.db2.gz QSKSOHBSCJGKJO-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000375265989 337006740 /nfs/dbraw/zinc/00/67/40/337006740.db2.gz KBZFZCWBTLWYKE-UHFFFAOYSA-N 1 0 319.836 3.765 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(c3ccccc3F)C2)c(O)c1 ZINC000376739733 337040273 /nfs/dbraw/zinc/04/02/73/337040273.db2.gz LLUBZHDDOZMMCC-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377617829 337056455 /nfs/dbraw/zinc/05/64/55/337056455.db2.gz BMJIBVJKCPEXEG-UHFFFAOYSA-N 1 0 317.820 3.517 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377696816 337058973 /nfs/dbraw/zinc/05/89/73/337058973.db2.gz NPQSZUCXRLMYQA-HHXXYDBFSA-N 1 0 319.445 3.503 20 10 DHCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000378443602 337072932 /nfs/dbraw/zinc/07/29/32/337072932.db2.gz NDUQRTAZSCOCDA-INIZCTEOSA-N 1 0 319.836 3.733 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000180641061 337176898 /nfs/dbraw/zinc/17/68/98/337176898.db2.gz YQRWOTWFMUHYOW-HNNXBMFYSA-N 1 0 319.836 3.597 20 10 DHCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cccc(Cl)c2O)c1 ZINC000182669936 337189386 /nfs/dbraw/zinc/18/93/86/337189386.db2.gz WLQNIPGQNNBRSA-UHFFFAOYSA-N 1 0 314.776 3.547 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183551545 337192130 /nfs/dbraw/zinc/19/21/30/337192130.db2.gz VQIMMWMPGJTSBG-OLZOCXBDSA-N 1 0 318.367 3.600 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683820 337249977 /nfs/dbraw/zinc/24/99/77/337249977.db2.gz WBFLEKWBIWEHGF-UKRRQHHQSA-N 1 0 314.433 3.601 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C)c1O)CCO2 ZINC000187589152 337267013 /nfs/dbraw/zinc/26/70/13/337267013.db2.gz BYTSTBCWWKZGKH-KRWDZBQOSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)s3)CC2)cc1 ZINC000102432790 337386218 /nfs/dbraw/zinc/38/62/18/337386218.db2.gz SLNWNIYTYJWRLN-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000248541658 337564433 /nfs/dbraw/zinc/56/44/33/337564433.db2.gz CBDRYYUHWUMERX-CWLKWCNXSA-N 1 0 301.430 3.781 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527771796 337762581 /nfs/dbraw/zinc/76/25/81/337762581.db2.gz JTYKOBSEPLMMSW-LJQANCHMSA-N 1 0 312.413 3.817 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@H]2CCc3cccc(O)c32)C2CC2)cn1 ZINC000528041983 337785514 /nfs/dbraw/zinc/78/55/14/337785514.db2.gz BVIOEQJWISORRD-HNAYVOBHSA-N 1 0 310.397 3.524 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC(F)(F)C1 ZINC000529567990 340763689 /nfs/dbraw/zinc/76/36/89/340763689.db2.gz YUYRDTHLRSFNHT-MRVPVSSYSA-N 1 0 320.177 3.678 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000315375091 341657949 /nfs/dbraw/zinc/65/79/49/341657949.db2.gz CXZIJNXNZWFZOB-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(C)cc2)c1O ZINC000182349280 518286759 /nfs/dbraw/zinc/28/67/59/518286759.db2.gz UJSOJQFLGOBCBX-GFCCVEGCSA-N 1 0 301.361 3.893 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(C)c1 ZINC000188791966 520369620 /nfs/dbraw/zinc/36/96/20/520369620.db2.gz MVMLOKWNPKHQRZ-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CC1CCN(c2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)CC1 ZINC000236686065 521046968 /nfs/dbraw/zinc/04/69/68/521046968.db2.gz DXMDEEVISZUHLE-UHFFFAOYSA-N 1 0 323.440 3.634 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000364629200 521155635 /nfs/dbraw/zinc/15/56/35/521155635.db2.gz GVNGSZGSRHOQHG-MRXNPFEDSA-N 1 0 317.360 3.543 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916480 522612201 /nfs/dbraw/zinc/61/22/01/522612201.db2.gz MPIHYGWXOUNNGR-IRXDYDNUSA-N 1 0 314.429 3.863 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000156231702 522863455 /nfs/dbraw/zinc/86/34/55/522863455.db2.gz VUESBMJBWKSLIM-CZUORRHYSA-N 1 0 310.397 3.559 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4cc[nH]c43)ccc21 ZINC000237188784 523862603 /nfs/dbraw/zinc/86/26/03/523862603.db2.gz IZIAHYNAUFAZGH-UHFFFAOYSA-N 1 0 305.425 3.840 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](CC)c2ccccc2O)o1 ZINC000156014429 524051525 /nfs/dbraw/zinc/05/15/25/524051525.db2.gz ABXHBMIVYCPLFL-CVEARBPZSA-N 1 0 303.402 3.976 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000180471772 524408585 /nfs/dbraw/zinc/40/85/85/524408585.db2.gz ULZZCGOPXCBEHB-SFHVURJKSA-N 1 0 311.425 3.739 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000178424010 525482411 /nfs/dbraw/zinc/48/24/11/525482411.db2.gz DMKOJLVIIIXPFI-SJORKVTESA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000178241973 525526044 /nfs/dbraw/zinc/52/60/44/525526044.db2.gz HZPDSWGWQCPZSL-CYBMUJFWSA-N 1 0 320.433 3.575 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccccc1O ZINC000183397613 525535475 /nfs/dbraw/zinc/53/54/75/525535475.db2.gz BKJSKCDINUEGGA-CQSZACIVSA-N 1 0 324.424 3.982 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2O[C@H]1C)c1cc(F)ccc1O ZINC000368484742 525639592 /nfs/dbraw/zinc/63/95/92/525639592.db2.gz ZEQKYLJKMPDMHV-XQJJYNOISA-N 1 0 305.324 3.843 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c(O)c1 ZINC000365154450 525948155 /nfs/dbraw/zinc/94/81/55/525948155.db2.gz GPCFVITWYPCATD-YYFZDKIDSA-N 1 0 311.425 3.647 20 10 DHCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000127708663 526826332 /nfs/dbraw/zinc/82/63/32/526826332.db2.gz WCOZHWUHSBYGPU-ZDUSSCGKSA-N 1 0 303.475 3.719 20 10 DHCDRO CC(C)(C)c1csc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000297576180 535148914 /nfs/dbraw/zinc/14/89/14/535148914.db2.gz GWTJJQUBFZQZEE-LBPRGKRZSA-N 1 0 302.443 3.923 20 10 DHCDRO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287298412 535899707 /nfs/dbraw/zinc/89/97/07/535899707.db2.gz CIABGNJBXJJPCX-INIZCTEOSA-N 1 0 310.869 3.818 20 10 DHCDRO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cs1 ZINC000273367552 536511970 /nfs/dbraw/zinc/51/19/70/536511970.db2.gz BSSXCFKFAYEWMY-NWDGAFQWSA-N 1 0 306.431 3.715 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@H](F)C3)c2c1 ZINC000777965697 1032058934 /nfs/dbraw/zinc/05/89/34/1032058934.db2.gz FGCASYDLSNBMMI-SJKOYZFVSA-N 1 0 303.377 3.734 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000154916018 1013083041 /nfs/dbraw/zinc/08/30/41/1013083041.db2.gz ZIMLTHLOCFBOOX-KBXCAEBGSA-N 1 0 322.412 3.775 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2cccc(OC)c2)cc1 ZINC000323011987 1013265468 /nfs/dbraw/zinc/26/54/68/1013265468.db2.gz OIDMPDXBLKWHHU-UHFFFAOYSA-N 1 0 312.457 3.874 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3sccc32)c1O ZINC000894474144 1013383610 /nfs/dbraw/zinc/38/36/10/1013383610.db2.gz OPPOKBWUSQHZGP-CQSZACIVSA-N 1 0 303.427 3.938 20 10 DHCDRO COCCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000894502860 1013395367 /nfs/dbraw/zinc/39/53/67/1013395367.db2.gz WRDMFKCQIDJSKF-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000120846397 1013529943 /nfs/dbraw/zinc/52/99/43/1013529943.db2.gz KBXIDLAORRMALS-SNVBAGLBSA-N 1 0 321.323 3.592 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000069287043 1013765926 /nfs/dbraw/zinc/76/59/26/1013765926.db2.gz MFXOJYHCZMHOQM-HNNXBMFYSA-N 1 0 314.429 3.584 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846773166 1032075754 /nfs/dbraw/zinc/07/57/54/1032075754.db2.gz XBTLMFKTJLXLTC-UHFFFAOYSA-N 1 0 321.827 3.962 20 10 DHCDRO COc1cc(C[N@H+](CCC(F)(F)F)CC2CC2)c(O)cc1C ZINC000160382510 1014036717 /nfs/dbraw/zinc/03/67/17/1014036717.db2.gz DLHCWECUWVQKBW-UHFFFAOYSA-N 1 0 317.351 3.874 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000160484203 1014112361 /nfs/dbraw/zinc/11/23/61/1014112361.db2.gz JVDXDHUJHLIELS-UHFFFAOYSA-N 1 0 316.470 3.792 20 10 DHCDRO Cc1ccsc1C[NH2+]Cc1c(O)cccc1Br ZINC000706809953 1014587308 /nfs/dbraw/zinc/58/73/08/1014587308.db2.gz UKHQQWRGDHNUEA-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000156950141 1014639532 /nfs/dbraw/zinc/63/95/32/1014639532.db2.gz YGJRSKVFXJOOKP-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895156720 1014662791 /nfs/dbraw/zinc/66/27/91/1014662791.db2.gz ZLCPEOAITNXFCX-UHFFFAOYSA-N 1 0 307.825 3.730 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)ccn1 ZINC000834859576 1014820408 /nfs/dbraw/zinc/82/04/08/1014820408.db2.gz DRYCRIMCEOJWMK-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772956693 1032108416 /nfs/dbraw/zinc/10/84/16/1032108416.db2.gz WUQRCVMPCREYIL-GDBMZVCRSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[N@H+](Cc1ccnn1C1CCC1)Cc1ccc(N(C)C)cc1 ZINC000891435417 1015037872 /nfs/dbraw/zinc/03/78/72/1015037872.db2.gz CRURIMYKCXOYFQ-UHFFFAOYSA-N 1 0 312.461 3.696 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C)c1O ZINC000895638054 1015239530 /nfs/dbraw/zinc/23/95/30/1015239530.db2.gz BNZWHPXAQQEDMZ-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2ncc(C)s2)c1O ZINC000175982494 1015507372 /nfs/dbraw/zinc/50/73/72/1015507372.db2.gz OGJWLDQDYIFAEY-UHFFFAOYSA-N 1 0 306.431 3.581 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896228122 1015514240 /nfs/dbraw/zinc/51/42/40/1015514240.db2.gz QJAWCYAMMHZXQG-CYBMUJFWSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2ccc3ncccc3c2)c1O ZINC000896289175 1015536310 /nfs/dbraw/zinc/53/63/10/1015536310.db2.gz BTHKNWSVLWXSNI-UHFFFAOYSA-N 1 0 322.408 3.590 20 10 DHCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc2ccccc2c1O ZINC000322414770 1032119470 /nfs/dbraw/zinc/11/94/70/1032119470.db2.gz XEWBNFSKLUDXSU-ZDUSSCGKSA-N 1 0 314.429 3.501 20 10 DHCDRO CCc1cc(C[N@H+](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088677 1015665858 /nfs/dbraw/zinc/66/58/58/1015665858.db2.gz ADTGVHZHYJBUKL-HNNXBMFYSA-N 1 0 305.462 3.720 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000835055110 1015730982 /nfs/dbraw/zinc/73/09/82/1015730982.db2.gz RGYOMCFZLYMPSS-RGDDUWESSA-N 1 0 313.272 3.939 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2c(F)cccc2F)cc1OC ZINC000896780138 1015740660 /nfs/dbraw/zinc/74/06/60/1015740660.db2.gz XBYDZIGPCHAOET-SNVBAGLBSA-N 1 0 323.339 3.538 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)O[C@@H](C)[C@@H]3C)c2c1 ZINC000783542355 1015760167 /nfs/dbraw/zinc/76/01/67/1015760167.db2.gz JYVIWGIVEHZARK-IHRRRGAJSA-N 1 0 315.413 3.552 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000091071450 1015861437 /nfs/dbraw/zinc/86/14/37/1015861437.db2.gz DPMDGFZUEIGTEI-SFHVURJKSA-N 1 0 320.383 3.508 20 10 DHCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234224 1016091667 /nfs/dbraw/zinc/09/16/67/1016091667.db2.gz MPBFERVZEQOQAA-AVGNSLFASA-N 1 0 302.422 3.744 20 10 DHCDRO C[C@H]([NH2+]CCCOCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000184900929 1016432925 /nfs/dbraw/zinc/43/29/25/1016432925.db2.gz MLQMDHOSIZTRFE-AWEZNQCLSA-N 1 0 303.446 3.738 20 10 DHCDRO Cc1cccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c1O ZINC000184971444 1016468611 /nfs/dbraw/zinc/46/86/11/1016468611.db2.gz FHJLIYZLRQJFTL-HNNXBMFYSA-N 1 0 316.470 3.641 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000185051883 1016517025 /nfs/dbraw/zinc/51/70/25/1016517025.db2.gz CACNTXFNEORLNT-CYBMUJFWSA-N 1 0 315.388 3.922 20 10 DHCDRO Cc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001167558576 1016533344 /nfs/dbraw/zinc/53/33/44/1016533344.db2.gz PEVSMZQAHBLIES-ZWKOTPCHSA-N 1 0 304.503 3.921 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000185103888 1016566455 /nfs/dbraw/zinc/56/64/55/1016566455.db2.gz DFAWFMBITTXTAR-OLZOCXBDSA-N 1 0 303.377 3.822 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000185152724 1016645176 /nfs/dbraw/zinc/64/51/76/1016645176.db2.gz UXPSRTXRGOGXDV-UHFFFAOYSA-N 1 0 309.409 3.757 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000185342180 1016859007 /nfs/dbraw/zinc/85/90/07/1016859007.db2.gz ZNIJQSFRRWMPQL-AWEZNQCLSA-N 1 0 322.449 3.608 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185574765 1017024375 /nfs/dbraw/zinc/02/43/75/1017024375.db2.gz BAZMTISYEHKMMK-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185580417 1017030431 /nfs/dbraw/zinc/03/04/31/1017030431.db2.gz WMVXXNQKYTXGLQ-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000192783942 1017058248 /nfs/dbraw/zinc/05/82/48/1017058248.db2.gz VYKGTFFLEAIIFZ-KBPBESRZSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1cc(C[NH2+]C2(CO)CCCCC2)ccc1N1CCCCC1 ZINC001168308723 1032188738 /nfs/dbraw/zinc/18/87/38/1032188738.db2.gz HOPNMULJHNHRGT-UHFFFAOYSA-N 1 0 316.489 3.770 20 10 DHCDRO Cc1cc(C[N@H+](C)C2CC(OC(C)(C)C)C2)ccc1N(C)C ZINC001171275582 1032209225 /nfs/dbraw/zinc/20/92/25/1032209225.db2.gz BGYAXRKXGWHGGD-UHFFFAOYSA-N 1 0 304.478 3.839 20 10 DHCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc2ccccc2c1O ZINC000192838580 1017073258 /nfs/dbraw/zinc/07/32/58/1017073258.db2.gz KBUDCEKRKWWKIM-AWEZNQCLSA-N 1 0 310.441 3.823 20 10 DHCDRO Cc1cc([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)[nH]n1 ZINC000282815864 1032496734 /nfs/dbraw/zinc/49/67/34/1032496734.db2.gz AGTABWASJAXBCM-MRXNPFEDSA-N 1 0 321.424 3.957 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773006308 1032520815 /nfs/dbraw/zinc/52/08/15/1032520815.db2.gz DFAXNIHUYDJSHR-FTRWYGJKSA-N 1 0 312.457 3.568 20 10 DHCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773013920 1032527870 /nfs/dbraw/zinc/52/78/70/1032527870.db2.gz GJDFMZLDHNFCAW-QFBILLFUSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773033935 1032534995 /nfs/dbraw/zinc/53/49/95/1032534995.db2.gz BQYDUGULQAKFBK-YJBOKZPZSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000773047383 1032540176 /nfs/dbraw/zinc/54/01/76/1032540176.db2.gz OZCACMZXGPZNNK-SFHVURJKSA-N 1 0 304.478 3.736 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000246886090 1012419497 /nfs/dbraw/zinc/41/94/97/1012419497.db2.gz DPKWZUUPZUDLDT-FZDIXFNVSA-N 1 0 302.462 3.751 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1F ZINC000799736362 1012494808 /nfs/dbraw/zinc/49/48/08/1012494808.db2.gz OZELKHKMNBIDPZ-ZBFHGGJFSA-N 1 0 308.441 3.671 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205983214 1032638327 /nfs/dbraw/zinc/63/83/27/1032638327.db2.gz OJHLLEVWQDZKBR-WDEREUQCSA-N 1 0 317.260 3.506 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000154473467 1012738152 /nfs/dbraw/zinc/73/81/52/1012738152.db2.gz YBHKPTXLYDUATA-GJZGRUSLSA-N 1 0 316.470 3.997 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001208895173 1012769365 /nfs/dbraw/zinc/76/93/65/1012769365.db2.gz ZQMZTPHPWKEOEI-ZDUSSCGKSA-N 1 0 300.368 3.917 20 10 DHCDRO CCOCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCC1 ZINC000894329042 1012806450 /nfs/dbraw/zinc/80/64/50/1012806450.db2.gz FLVIFLVFAHEFON-UHFFFAOYSA-N 1 0 321.461 3.786 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1C ZINC000776959498 1032671315 /nfs/dbraw/zinc/67/13/15/1032671315.db2.gz MYBHGLJVIUPFAL-QGZVFWFLSA-N 1 0 319.445 3.565 20 10 DHCDRO COc1ccc(N2CCCN(C/C(Cl)=C\Cl)CC2)cc1 ZINC000255021567 1012967809 /nfs/dbraw/zinc/96/78/09/1012967809.db2.gz URIAZOSYPZHKPE-ACCUITESSA-N 1 0 315.244 3.526 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Br)ccc1O ZINC000840859640 1017208371 /nfs/dbraw/zinc/20/83/71/1017208371.db2.gz LDVNJSLMNICEHQ-YWVKMMECSA-N 1 0 316.264 3.699 20 10 DHCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921501616 1017251390 /nfs/dbraw/zinc/25/13/90/1017251390.db2.gz LQADOUCNLMBVOM-CQSZACIVSA-N 1 0 324.424 3.821 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716287104 1032690958 /nfs/dbraw/zinc/69/09/58/1032690958.db2.gz CTVDQSJOAMZWDR-HKUYNNGSSA-N 1 0 310.441 3.707 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716287929 1032693493 /nfs/dbraw/zinc/69/34/93/1032693493.db2.gz GKMFRVDFKPESDJ-WMZOPIPTSA-N 1 0 310.441 3.626 20 10 DHCDRO COc1cc(Br)cc(C[NH2+][C@H](C)C(C)(C)C)c1O ZINC000112375948 1017502668 /nfs/dbraw/zinc/50/26/68/1017502668.db2.gz ATXCLTORBASBHQ-SECBINFHSA-N 1 0 316.239 3.688 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000305141695 1017510799 /nfs/dbraw/zinc/51/07/99/1017510799.db2.gz QHUSICZGSDOVGI-SUMWQHHRSA-N 1 0 304.459 3.588 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000305753524 1017531466 /nfs/dbraw/zinc/53/14/66/1017531466.db2.gz UXSYDGGTGYPBBA-CKEIUWERSA-N 1 0 302.418 3.508 20 10 DHCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000840964848 1017601948 /nfs/dbraw/zinc/60/19/48/1017601948.db2.gz VZCMVUBHGYJSCP-IHVVCDCBSA-N 1 0 300.368 3.944 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000119597753 1017628884 /nfs/dbraw/zinc/62/88/84/1017628884.db2.gz DREJKPZJKKOYKJ-YQQAZPJKSA-N 1 0 320.452 3.892 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1C ZINC001171464364 1032726022 /nfs/dbraw/zinc/72/60/22/1032726022.db2.gz ACIZXHQSFLKNFB-INIZCTEOSA-N 1 0 317.379 3.929 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)c1O ZINC000693677668 1017958258 /nfs/dbraw/zinc/95/82/58/1017958258.db2.gz YJFDOZMUJUWQME-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO COc1ccc2oc(C[NH2+]Cc3ccc(N(C)C)cc3)cc2c1 ZINC000122983026 1018035479 /nfs/dbraw/zinc/03/54/79/1018035479.db2.gz YYMQQGUUIUHIRE-UHFFFAOYSA-N 1 0 310.397 3.797 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)c1 ZINC000161540215 1018065291 /nfs/dbraw/zinc/06/52/91/1018065291.db2.gz BNMDLPHJYVGNPJ-CQSZACIVSA-N 1 0 313.397 3.633 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701921893 1018122600 /nfs/dbraw/zinc/12/26/00/1018122600.db2.gz AOKYGPZUHRSWQC-UONOGXRCSA-N 1 0 322.449 3.607 20 10 DHCDRO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764517177 1018303246 /nfs/dbraw/zinc/30/32/46/1018303246.db2.gz ZYAJLLCEPDDWJM-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764593729 1018325887 /nfs/dbraw/zinc/32/58/87/1018325887.db2.gz FMJPUCFDCWBUNM-YLJYHZDGSA-N 1 0 315.505 3.812 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000764882095 1018416717 /nfs/dbraw/zinc/41/67/17/1018416717.db2.gz YPTRXBZTAGNHQO-MRXNPFEDSA-N 1 0 303.475 3.801 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766120369 1018418006 /nfs/dbraw/zinc/41/80/06/1018418006.db2.gz RSXWVIWYJJPCMD-LLVKDONJSA-N 1 0 310.319 3.715 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCC[C@H]1C ZINC000764930461 1018430911 /nfs/dbraw/zinc/43/09/11/1018430911.db2.gz SQTOMHQVLNFZIZ-ZACQAIPSSA-N 1 0 303.494 3.666 20 10 DHCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1C ZINC000764984773 1018446296 /nfs/dbraw/zinc/44/62/96/1018446296.db2.gz YADRFYWTTMHMLK-SFHVURJKSA-N 1 0 319.832 3.654 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000765098832 1018475055 /nfs/dbraw/zinc/47/50/55/1018475055.db2.gz DBUHCDCIKDFXCO-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO COc1cc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC000766139574 1018479171 /nfs/dbraw/zinc/47/91/71/1018479171.db2.gz SENUAIKEEPDXGT-INIZCTEOSA-N 1 0 312.457 3.963 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)C ZINC000765128612 1018484480 /nfs/dbraw/zinc/48/44/80/1018484480.db2.gz WRDWIUPUJYCMJQ-KFWWJZLASA-N 1 0 322.468 3.964 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)c1O ZINC001171520701 1032767928 /nfs/dbraw/zinc/76/79/28/1032767928.db2.gz PAQMAODSPMULRE-ZDUSSCGKSA-N 1 0 321.342 3.765 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C1CCOCC1 ZINC000746054366 1032774795 /nfs/dbraw/zinc/77/47/95/1032774795.db2.gz QVBYGMCRXAAOBZ-LJQANCHMSA-N 1 0 304.478 3.828 20 10 DHCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706829921 1018762938 /nfs/dbraw/zinc/76/29/38/1018762938.db2.gz GXSYRNWGZNJNRR-VHSXEESVSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765332711 1018758695 /nfs/dbraw/zinc/75/86/95/1018758695.db2.gz BCVBZOYGMBODOW-CQSZACIVSA-N 1 0 302.393 3.621 20 10 DHCDRO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765349906 1018766210 /nfs/dbraw/zinc/76/62/10/1018766210.db2.gz ODZTWLRLVXAFPO-INIZCTEOSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc2ccccc2n1C ZINC000921753460 1018768035 /nfs/dbraw/zinc/76/80/35/1018768035.db2.gz CVTOHLLSYGWSJN-CQSZACIVSA-N 1 0 321.424 3.749 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCCC1(F)F ZINC000706881303 1018771845 /nfs/dbraw/zinc/77/18/45/1018771845.db2.gz PEAOKEGYLAKMQX-SECBINFHSA-N 1 0 320.177 3.680 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N2CCCCC2)cc1 ZINC000765438339 1018788707 /nfs/dbraw/zinc/78/87/07/1018788707.db2.gz IBNVFHMHEYXEJX-DLBZAZTESA-N 1 0 324.472 3.749 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765481863 1018809294 /nfs/dbraw/zinc/80/92/94/1018809294.db2.gz RKLSXJKADAAFQB-LJQANCHMSA-N 1 0 322.452 3.855 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000186463832 1018809275 /nfs/dbraw/zinc/80/92/75/1018809275.db2.gz LSVVXZDGHRYRDO-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO CCOCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921520702 1018811958 /nfs/dbraw/zinc/81/19/58/1018811958.db2.gz JLKJEWDCJATOKL-UHFFFAOYSA-N 1 0 311.425 3.838 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c1 ZINC000282152158 1018816694 /nfs/dbraw/zinc/81/66/94/1018816694.db2.gz WZQNRFHGCXVDCS-UHFFFAOYSA-N 1 0 320.820 3.828 20 10 DHCDRO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001171572245 1032787866 /nfs/dbraw/zinc/78/78/66/1032787866.db2.gz BIMCLTVMALGUKZ-GOSISDBHSA-N 1 0 323.436 3.712 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282529641 1018914001 /nfs/dbraw/zinc/91/40/01/1018914001.db2.gz VFCREGWGSMDHEY-KBXCAEBGSA-N 1 0 312.461 3.604 20 10 DHCDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000765610670 1019001425 /nfs/dbraw/zinc/00/14/25/1019001425.db2.gz WWPIOACWKZFKNF-CQSZACIVSA-N 1 0 314.454 3.808 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000921553393 1019049543 /nfs/dbraw/zinc/04/95/43/1019049543.db2.gz UCTPJHGEGAYYCJ-CYBMUJFWSA-N 1 0 312.369 3.771 20 10 DHCDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948920 1019197285 /nfs/dbraw/zinc/19/72/85/1019197285.db2.gz GPTZTKCVGRWKSY-BBRMVZONSA-N 1 0 317.454 3.675 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1[N+](=O)[O-] ZINC000921966633 1019229853 /nfs/dbraw/zinc/22/98/53/1019229853.db2.gz LXXLYSVMRDJSIM-CYBMUJFWSA-N 1 0 312.369 3.771 20 10 DHCDRO CCN1CCC([N@H+](C)Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110527 1019390998 /nfs/dbraw/zinc/39/09/98/1019390998.db2.gz IFARIQGMBIJPNS-UHFFFAOYSA-N 1 0 304.478 3.606 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000858289759 1032832554 /nfs/dbraw/zinc/83/25/54/1032832554.db2.gz AKDMNLBHDJZASZ-CWPLJXCYSA-N 1 0 314.473 3.690 20 10 DHCDRO CCn1nccc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858292747 1032830783 /nfs/dbraw/zinc/83/07/83/1032830783.db2.gz DVKCVXJVAHABMC-UHFFFAOYSA-N 1 0 308.429 3.600 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001168705022 1019625382 /nfs/dbraw/zinc/62/53/82/1019625382.db2.gz PZDNTJMOIWOLHW-CQSZACIVSA-N 1 0 301.817 3.919 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000282222721 1019695876 /nfs/dbraw/zinc/69/58/76/1019695876.db2.gz IBXQLRBZXXBETG-APWZRJJASA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727429370 1019712250 /nfs/dbraw/zinc/71/22/50/1019712250.db2.gz JRSRSKVXTWJAGM-VFNWGFHPSA-N 1 0 323.436 3.843 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)ccc1OC ZINC000727831003 1019818345 /nfs/dbraw/zinc/81/83/45/1019818345.db2.gz BGUGLYFPPDUYLY-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cnccc3c2)c1 ZINC001168711802 1019855356 /nfs/dbraw/zinc/85/53/56/1019855356.db2.gz GLDUNAHOPPYQGP-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)cc1C(C)C ZINC000730804553 1020028359 /nfs/dbraw/zinc/02/83/59/1020028359.db2.gz IGSUXUKKXHATJZ-SFHVURJKSA-N 1 0 316.489 3.884 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000765992298 1020127320 /nfs/dbraw/zinc/12/73/20/1020127320.db2.gz IFWTXOQZYACQMP-IAGOWNOFSA-N 1 0 322.880 3.788 20 10 DHCDRO CCCC[N@H+](CCOC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000731660936 1020128992 /nfs/dbraw/zinc/12/89/92/1020128992.db2.gz MVUBRJXVJMOUJA-UHFFFAOYSA-N 1 0 309.450 3.644 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)c1cc(F)ccc1OC ZINC000922620920 1020167412 /nfs/dbraw/zinc/16/74/12/1020167412.db2.gz GAVUSVJOEGBEAY-HNNXBMFYSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000765781715 1020188875 /nfs/dbraw/zinc/18/88/75/1020188875.db2.gz PJGRUDSEWDSRNV-SJLPKXTDSA-N 1 0 313.489 3.564 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000732049479 1020197073 /nfs/dbraw/zinc/19/70/73/1020197073.db2.gz ZDFOJHXZCUJFAN-CYBMUJFWSA-N 1 0 323.849 3.579 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCc3sccc3[C@@H]2C)c1O ZINC000732526605 1020249606 /nfs/dbraw/zinc/24/96/06/1020249606.db2.gz MTUSUEALYLKKMT-LBPRGKRZSA-N 1 0 303.427 3.890 20 10 DHCDRO CCn1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000732570877 1020251155 /nfs/dbraw/zinc/25/11/55/1020251155.db2.gz KWZPQFMSCNBDOT-UHFFFAOYSA-N 1 0 322.456 3.643 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000091958294 1020326687 /nfs/dbraw/zinc/32/66/87/1020326687.db2.gz VTOHHIYIOVPTIC-GDBMZVCRSA-N 1 0 321.804 3.727 20 10 DHCDRO Cc1ncsc1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000179443918 1020349557 /nfs/dbraw/zinc/34/95/57/1020349557.db2.gz CKWXJXVADBYBIX-UHFFFAOYSA-N 1 0 302.443 3.668 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000733323230 1020370503 /nfs/dbraw/zinc/37/05/03/1020370503.db2.gz RNXGIZMYWJVDAJ-KRWDZBQOSA-N 1 0 314.429 3.610 20 10 DHCDRO Cc1ccc(OCC[NH2+]Cc2c(O)cccc2Cl)c(C)c1 ZINC000733322483 1020370746 /nfs/dbraw/zinc/37/07/46/1020370746.db2.gz IZEDAZXHHUMMJE-UHFFFAOYSA-N 1 0 305.805 3.831 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1F ZINC000733324668 1020371542 /nfs/dbraw/zinc/37/15/42/1020371542.db2.gz RQHQZFSIXBKZCV-UHFFFAOYSA-N 1 0 316.395 3.852 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)c1ccccc1 ZINC000733324537 1020371790 /nfs/dbraw/zinc/37/17/90/1020371790.db2.gz JDMAYBKRMPPKPU-CYBMUJFWSA-N 1 0 304.821 3.660 20 10 DHCDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324857 1020372354 /nfs/dbraw/zinc/37/23/54/1020372354.db2.gz HETVVXBTKWEYPG-KSSFIOAISA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000733326372 1020374625 /nfs/dbraw/zinc/37/46/25/1020374625.db2.gz ZHFFLKJAXGTKFM-UHFFFAOYSA-N 1 0 310.441 3.981 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000765819667 1020393100 /nfs/dbraw/zinc/39/31/00/1020393100.db2.gz VOHQHAMSAMMTMB-UUFMSHNVSA-N 1 0 305.393 3.627 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000922891304 1020403356 /nfs/dbraw/zinc/40/33/56/1020403356.db2.gz HNXPPUHSWKFKJF-QUCCMNQESA-N 1 0 314.473 3.582 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000167014761 1020424840 /nfs/dbraw/zinc/42/48/40/1020424840.db2.gz OBTHTJIUFPUZKH-VQIMIIECSA-N 1 0 302.462 3.897 20 10 DHCDRO OCCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000751154469 1020427898 /nfs/dbraw/zinc/42/78/98/1020427898.db2.gz VLAXCINYYJAZNW-UHFFFAOYSA-N 1 0 316.489 3.852 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Cl)cc1O ZINC000858454422 1032901726 /nfs/dbraw/zinc/90/17/26/1032901726.db2.gz FJCYYOBIJSXOFA-LRDDRELGSA-N 1 0 317.816 3.838 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)c(O)c1OC ZINC000892481734 1020481697 /nfs/dbraw/zinc/48/16/97/1020481697.db2.gz OYABYIFDJMTRDS-KRWDZBQOSA-N 1 0 315.413 3.896 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000186832346 1020497874 /nfs/dbraw/zinc/49/78/74/1020497874.db2.gz FSIFYELISIPIRC-XCRHUMRWSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000378879925 1020523683 /nfs/dbraw/zinc/52/36/83/1020523683.db2.gz FLICZBIBHRSFCU-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044225 1020581634 /nfs/dbraw/zinc/58/16/34/1020581634.db2.gz OAVZHBLECBDQRM-KUHUBIRLSA-N 1 0 324.472 3.969 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000163633401 1020611036 /nfs/dbraw/zinc/61/10/36/1020611036.db2.gz TXQJFHAQCLAZGQ-OAHLLOKOSA-N 1 0 316.470 3.992 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2ccccc2c1 ZINC000734510754 1020617741 /nfs/dbraw/zinc/61/77/41/1020617741.db2.gz ZCTLAXIZHNSMHV-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO Cc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000734847635 1020667557 /nfs/dbraw/zinc/66/75/57/1020667557.db2.gz RRYDPYCJMDFSBV-UHFFFAOYSA-N 1 0 320.230 3.795 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000725845758 1020683788 /nfs/dbraw/zinc/68/37/88/1020683788.db2.gz HSTODZBSBXHNMF-PMACEKPBSA-N 1 0 322.452 3.776 20 10 DHCDRO CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000177920866 1020854633 /nfs/dbraw/zinc/85/46/33/1020854633.db2.gz FQXXRJOBCBWOLU-OAHLLOKOSA-N 1 0 318.383 3.762 20 10 DHCDRO Cc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000738145067 1020863322 /nfs/dbraw/zinc/86/33/22/1020863322.db2.gz NJSOFHXJCUYNJX-MRXNPFEDSA-N 1 0 304.478 3.524 20 10 DHCDRO COc1ccc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1C ZINC000740006317 1020923329 /nfs/dbraw/zinc/92/33/29/1020923329.db2.gz KCTQUMDFZLKQKX-IFXJQAMLSA-N 1 0 305.462 3.671 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1F ZINC000740003909 1020923686 /nfs/dbraw/zinc/92/36/86/1020923686.db2.gz BAZRFSCSYXPZGU-LJQANCHMSA-N 1 0 322.468 3.703 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C)CCCOC(C)C)c2c1 ZINC000740860164 1020955347 /nfs/dbraw/zinc/95/53/47/1020955347.db2.gz YQHQZQXHJRKIOZ-UHFFFAOYSA-N 1 0 317.429 3.801 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCO[C@@H]21 ZINC000741255131 1020994751 /nfs/dbraw/zinc/99/47/51/1020994751.db2.gz GCCDRMGVOVAKLE-SXLOBPIMSA-N 1 0 323.436 3.962 20 10 DHCDRO CCN(C)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000741754457 1021049350 /nfs/dbraw/zinc/04/93/50/1021049350.db2.gz QZDPKUPOAXNAEE-UHFFFAOYSA-N 1 0 315.505 3.593 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1C ZINC000742369861 1021105146 /nfs/dbraw/zinc/10/51/46/1021105146.db2.gz HLFPONJIUPZEKJ-UHFFFAOYSA-N 1 0 312.413 3.516 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1C ZINC000742367056 1021107274 /nfs/dbraw/zinc/10/72/74/1021107274.db2.gz HOUYYOAKYXTNJL-AWEZNQCLSA-N 1 0 317.351 3.552 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCOC1 ZINC000742380885 1021108711 /nfs/dbraw/zinc/10/87/11/1021108711.db2.gz SNAFXTHZCHEEFE-WBVHZDCISA-N 1 0 308.441 3.577 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccc(F)cc1 ZINC000742380717 1021108800 /nfs/dbraw/zinc/10/88/00/1021108800.db2.gz JBSFIIALLZEUAJ-CYBMUJFWSA-N 1 0 320.383 3.588 20 10 DHCDRO Cc1cccc(F)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000742381572 1021109696 /nfs/dbraw/zinc/10/96/96/1021109696.db2.gz XKUKARQRXMBNDU-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO Cc1cnc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000742378089 1021115591 /nfs/dbraw/zinc/11/55/91/1021115591.db2.gz VWSMDSJHJGDEIY-INIZCTEOSA-N 1 0 301.459 3.758 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(F)ccc1O ZINC000176986273 1021192507 /nfs/dbraw/zinc/19/25/07/1021192507.db2.gz XJYJMOXLKJNEFD-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000743391445 1021281748 /nfs/dbraw/zinc/28/17/48/1021281748.db2.gz UZYQNLKYYNCVBR-UHFFFAOYSA-N 1 0 313.397 3.564 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743400154 1021285305 /nfs/dbraw/zinc/28/53/05/1021285305.db2.gz JDLJPJHOWFHULN-AWEZNQCLSA-N 1 0 309.475 3.723 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000181773992 1021343448 /nfs/dbraw/zinc/34/34/48/1021343448.db2.gz CDBGNCHKOSYABI-CHWSQXEVSA-N 1 0 312.504 3.563 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(C#N)cc1 ZINC000181773793 1021344070 /nfs/dbraw/zinc/34/40/70/1021344070.db2.gz AGCOYIBVGUNYOU-GFCCVEGCSA-N 1 0 303.456 3.848 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000166144375 1021387275 /nfs/dbraw/zinc/38/72/75/1021387275.db2.gz WWLZNPOOTUPSIM-ZDUSSCGKSA-N 1 0 301.434 3.641 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(F)c2F)c1O ZINC000182000567 1021424783 /nfs/dbraw/zinc/42/47/83/1021424783.db2.gz ORPJTGDSXLTKSS-SECBINFHSA-N 1 0 323.314 3.863 20 10 DHCDRO COCc1csc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000850137911 1021425916 /nfs/dbraw/zinc/42/59/16/1021425916.db2.gz VDXFLJDACQOIPT-UHFFFAOYSA-N 1 0 304.459 3.559 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234813 1021450129 /nfs/dbraw/zinc/45/01/29/1021450129.db2.gz LZDCZFQAEBLJEA-ZIAGYGMSSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]Cc2cccnc2F)c(O)c(C(C)(C)C)c1 ZINC000850281967 1021464848 /nfs/dbraw/zinc/46/48/48/1021464848.db2.gz PYAYLBURQFFVCE-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO COc1cc(C[NH2+]CC2CC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000850307864 1021470720 /nfs/dbraw/zinc/47/07/20/1021470720.db2.gz RFHVKCPCKIZUTO-UHFFFAOYSA-N 1 0 313.388 3.833 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCS[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850340668 1021479356 /nfs/dbraw/zinc/47/93/56/1021479356.db2.gz YGXIADWKHPYFBI-XHDPSFHLSA-N 1 0 309.475 3.682 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccsc3Cl)C2)cc1 ZINC000850346469 1021481571 /nfs/dbraw/zinc/48/15/71/1021481571.db2.gz GISOXKHQBKCZBS-CYBMUJFWSA-N 1 0 322.861 3.779 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3sccc3Cl)C2)cc1 ZINC000850347799 1021481618 /nfs/dbraw/zinc/48/16/18/1021481618.db2.gz XVJIOMHDUYSWAF-GFCCVEGCSA-N 1 0 322.861 3.779 20 10 DHCDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395202 1021508223 /nfs/dbraw/zinc/50/82/23/1021508223.db2.gz OEYIQBABMSSASK-VQTJNVASSA-N 1 0 312.457 3.600 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394853 1021508430 /nfs/dbraw/zinc/50/84/30/1021508430.db2.gz GPIZQLPMNKMLHI-WOJBJXKFSA-N 1 0 313.441 3.857 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC(F)CC1 ZINC000850396133 1021508509 /nfs/dbraw/zinc/50/85/09/1021508509.db2.gz PZBBSTKCQIHPHB-FAEJEUNOSA-N 1 0 320.452 3.530 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406609 1021514009 /nfs/dbraw/zinc/51/40/09/1021514009.db2.gz NAURBNULXUDOMO-DNVCBOLYSA-N 1 0 316.489 3.562 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccsc3)C2)cc1 ZINC000850486641 1021558187 /nfs/dbraw/zinc/55/81/87/1021558187.db2.gz CLJNICDOUJNMIA-UKRRQHHQSA-N 1 0 302.443 3.686 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(C(F)F)CC3)C2)cc1 ZINC000850486223 1021559063 /nfs/dbraw/zinc/55/90/63/1021559063.db2.gz AYHTTWHMZKQLGX-NRXISQOPSA-N 1 0 324.415 3.687 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000850490234 1021561528 /nfs/dbraw/zinc/56/15/28/1021561528.db2.gz XTSZWGALCXVCFG-OXQOHEQNSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4occc43)C2)cc1 ZINC000850487116 1021561567 /nfs/dbraw/zinc/56/15/67/1021561567.db2.gz GDWOOLULSVEAEG-RDTXWAMCSA-N 1 0 312.413 3.534 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000850504849 1021566966 /nfs/dbraw/zinc/56/69/66/1021566966.db2.gz GLLPEKXGHQVYEU-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccccc1O ZINC000850515300 1021572655 /nfs/dbraw/zinc/57/26/55/1021572655.db2.gz VYFVWGNZPLIQFB-ZWKOTPCHSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000850520335 1021574298 /nfs/dbraw/zinc/57/42/98/1021574298.db2.gz ZZFLHCWZHMJXEA-WMLDXEAASA-N 1 0 324.415 3.752 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1O ZINC000850526434 1021579384 /nfs/dbraw/zinc/57/93/84/1021579384.db2.gz CCGGTSSVOKTVQQ-GLZQIGESSA-N 1 0 303.789 3.875 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530068 1021581536 /nfs/dbraw/zinc/58/15/36/1021581536.db2.gz WUMQNMIZDBDWHE-KPOBHBOGSA-N 1 0 310.441 3.972 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850537846 1021593687 /nfs/dbraw/zinc/59/36/87/1021593687.db2.gz AHIINZNXBPAPJM-MAUKXSAKSA-N 1 0 302.462 3.840 20 10 DHCDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCC2)c(O)c1OC ZINC000892755460 1021599823 /nfs/dbraw/zinc/59/98/23/1021599823.db2.gz KKYTXFQLIJOVIS-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567754 1021610560 /nfs/dbraw/zinc/61/05/60/1021610560.db2.gz IMBPTZHNRXDGDS-PMACEKPBSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C ZINC000850568129 1021610722 /nfs/dbraw/zinc/61/07/22/1021610722.db2.gz PYJXENCPWBOFJH-OALUTQOASA-N 1 0 316.489 3.562 20 10 DHCDRO CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566816 1021611465 /nfs/dbraw/zinc/61/14/65/1021611465.db2.gz SXVOLJAXKWVZFU-INIZCTEOSA-N 1 0 304.478 3.706 20 10 DHCDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568064 1021611480 /nfs/dbraw/zinc/61/14/80/1021611480.db2.gz OTTXGRPGUFHNNP-IRXDYDNUSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000850570176 1021613331 /nfs/dbraw/zinc/61/33/31/1021613331.db2.gz FERGMXSNRUCVPZ-BBRMVZONSA-N 1 0 303.446 3.737 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000850572787 1021614728 /nfs/dbraw/zinc/61/47/28/1021614728.db2.gz GMBYUSXZCHVELQ-ZAAXVRCTSA-N 1 0 313.441 3.906 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(O)c1 ZINC000850574436 1021616119 /nfs/dbraw/zinc/61/61/19/1021616119.db2.gz YKNFCAWUXQMYSN-GJYPPUQNSA-N 1 0 313.441 3.824 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850573094 1021617233 /nfs/dbraw/zinc/61/72/33/1021617233.db2.gz JFJUWLOJOCZFQG-VBHSOAQHSA-N 1 0 319.832 3.861 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000182466863 1021673960 /nfs/dbraw/zinc/67/39/60/1021673960.db2.gz GPFLIOYEPKMWHL-GTNSWQLSSA-N 1 0 301.361 3.878 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172123369 1033025200 /nfs/dbraw/zinc/02/52/00/1033025200.db2.gz CDHVWGIBXKFYBU-PMOLBWCYSA-N 1 0 315.505 3.590 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000752264868 1022047254 /nfs/dbraw/zinc/04/72/54/1022047254.db2.gz GDIXZZOXJPQQBU-RYUDHWBXSA-N 1 0 317.351 3.859 20 10 DHCDRO CC(C)c1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000155197288 1022058598 /nfs/dbraw/zinc/05/85/98/1022058598.db2.gz DXDXBCLGLQHHKK-UHFFFAOYSA-N 1 0 303.475 3.965 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000179608420 1022068376 /nfs/dbraw/zinc/06/83/76/1022068376.db2.gz LHAGKPOKTULZIH-MRXNPFEDSA-N 1 0 317.454 3.943 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000920181080 1022072884 /nfs/dbraw/zinc/07/28/84/1022072884.db2.gz XAPHZQXXTCAYCW-SJLPKXTDSA-N 1 0 316.489 3.828 20 10 DHCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766368183 1022079231 /nfs/dbraw/zinc/07/92/31/1022079231.db2.gz YFMRAXUUFBGNAK-APWZRJJASA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401443 1022095285 /nfs/dbraw/zinc/09/52/85/1022095285.db2.gz QRSVQWJBKHQJEZ-VQTJNVASSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccccc1O ZINC000183513998 1022162863 /nfs/dbraw/zinc/16/28/63/1022162863.db2.gz OYOBNHCKXFHXME-WMZOPIPTSA-N 1 0 310.441 3.707 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccccc1O ZINC000183514060 1022167694 /nfs/dbraw/zinc/16/76/94/1022167694.db2.gz OYOBNHCKXFHXME-SJLPKXTDSA-N 1 0 310.441 3.707 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1O ZINC000183514571 1022169588 /nfs/dbraw/zinc/16/95/88/1022169588.db2.gz XDQJTURKJWKINN-BLLLJJGKSA-N 1 0 320.383 3.624 20 10 DHCDRO CC[C@H]1C[C@H](C[N@H+](CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780754122 1022246499 /nfs/dbraw/zinc/24/64/99/1022246499.db2.gz MUCHSJNWVBJDKO-MJGOQNOKSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1cc2c(cc1O)CN(Cc1csc(Cl)c1)CCC2 ZINC001142775315 1022255904 /nfs/dbraw/zinc/25/59/04/1022255904.db2.gz AAXTUQBZRAMFPC-UHFFFAOYSA-N 1 0 309.818 3.761 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000797602694 1022264422 /nfs/dbraw/zinc/26/44/22/1022264422.db2.gz VNGQEKJZMWFAJT-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000178346007 1022269668 /nfs/dbraw/zinc/26/96/68/1022269668.db2.gz BRWIQELCKAVEIO-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586617 1022296620 /nfs/dbraw/zinc/29/66/20/1022296620.db2.gz VCNLZHICIVBWCP-UKRRQHHQSA-N 1 0 323.392 3.760 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccnc(Cl)c1 ZINC000122939774 1022310536 /nfs/dbraw/zinc/31/05/36/1022310536.db2.gz KISJYEKCRIJCHO-ZDUSSCGKSA-N 1 0 315.848 3.968 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3sccc3C)CC2)c(C)c1 ZINC001204023556 1022330169 /nfs/dbraw/zinc/33/01/69/1022330169.db2.gz HXFAFJSLCMHJJW-UHFFFAOYSA-N 1 0 316.470 3.696 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000184990089 1022448585 /nfs/dbraw/zinc/44/85/85/1022448585.db2.gz JDMFRWOSCKTVKO-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)COc2cccc(C)c2)c1 ZINC000185103798 1022458910 /nfs/dbraw/zinc/45/89/10/1022458910.db2.gz FYOAZPXZIGZOSC-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1O ZINC000179694946 1022511573 /nfs/dbraw/zinc/51/15/73/1022511573.db2.gz BIFIANFNFXOGIC-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1 ZINC000179726451 1022518492 /nfs/dbraw/zinc/51/84/92/1022518492.db2.gz YHTLYZXKNBQSOT-UHFFFAOYSA-N 1 0 304.478 3.660 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCCC23CC3)cc1Br ZINC001237682896 1022551765 /nfs/dbraw/zinc/55/17/65/1022551765.db2.gz ULJOLRHHYSDHEP-UHFFFAOYSA-N 1 0 310.235 3.982 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)CCCC2 ZINC000776769690 1022559000 /nfs/dbraw/zinc/55/90/00/1022559000.db2.gz VWYJIQWPDBIOBR-LJQANCHMSA-N 1 0 315.457 3.662 20 10 DHCDRO CCC1(CC)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000776771926 1022561399 /nfs/dbraw/zinc/56/13/99/1022561399.db2.gz NWGSNGVTZLTZAY-UHFFFAOYSA-N 1 0 307.434 3.812 20 10 DHCDRO COc1ccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000179889685 1022566181 /nfs/dbraw/zinc/56/61/81/1022566181.db2.gz MPSGTDRFRLLXMO-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1 ZINC001169927869 1022590871 /nfs/dbraw/zinc/59/08/71/1022590871.db2.gz IYGKESOJAXBCAS-IBGZPJMESA-N 1 0 304.478 3.516 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c1 ZINC000180026700 1022610604 /nfs/dbraw/zinc/61/06/04/1022610604.db2.gz KONWCAXIVSAZAU-QGZVFWFLSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776882312 1022795022 /nfs/dbraw/zinc/79/50/22/1022795022.db2.gz FKPFNAVZQUOBAT-ZIAGYGMSSA-N 1 0 306.425 3.502 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000776882029 1022799477 /nfs/dbraw/zinc/79/94/77/1022799477.db2.gz FKPFNAVZQUOBAT-UONOGXRCSA-N 1 0 306.425 3.502 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876535055 1033086570 /nfs/dbraw/zinc/08/65/70/1033086570.db2.gz GIFOSSFUSKKZIT-UHFFFAOYSA-N 1 0 324.468 3.588 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1F ZINC000856802315 1022872150 /nfs/dbraw/zinc/87/21/50/1022872150.db2.gz MVVHIHALLPVHJM-ZDUSSCGKSA-N 1 0 300.368 3.807 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OCC)c2O)cc1 ZINC000768163268 1022908351 /nfs/dbraw/zinc/90/83/51/1022908351.db2.gz MRBKIMDXGRPCCM-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO Cc1cccc(O)c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000876557525 1033091161 /nfs/dbraw/zinc/09/11/61/1033091161.db2.gz AWMAIACKJCFEDB-UHFFFAOYSA-N 1 0 319.408 3.866 20 10 DHCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000768207380 1022916164 /nfs/dbraw/zinc/91/61/64/1022916164.db2.gz GRZQOBOOCAKLLJ-UHFFFAOYSA-N 1 0 324.468 3.772 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1O ZINC000768230175 1022929569 /nfs/dbraw/zinc/92/95/69/1022929569.db2.gz RZZFVUITTGRKJN-GOSISDBHSA-N 1 0 311.425 3.998 20 10 DHCDRO COc1ccccc1C[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768257669 1022933495 /nfs/dbraw/zinc/93/34/95/1022933495.db2.gz OBEPNCMPXVNIGC-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000768262167 1022935723 /nfs/dbraw/zinc/93/57/23/1022935723.db2.gz HHBYMUVQIZNGDG-LLVKDONJSA-N 1 0 319.788 3.967 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000768295464 1022942271 /nfs/dbraw/zinc/94/22/71/1022942271.db2.gz SJOJDYOQTHWZLM-YOVKBJGQSA-N 1 0 319.420 3.874 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000768295459 1022943671 /nfs/dbraw/zinc/94/36/71/1022943671.db2.gz SJOJDYOQTHWZLM-AUENNLLBSA-N 1 0 319.420 3.874 20 10 DHCDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768320398 1022945221 /nfs/dbraw/zinc/94/52/21/1022945221.db2.gz ULIPDCLOGGBURD-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000857081664 1022946392 /nfs/dbraw/zinc/94/63/92/1022946392.db2.gz PXXGGTQLUFDEPH-VHSXEESVSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000857081663 1022946690 /nfs/dbraw/zinc/94/66/90/1022946690.db2.gz PXXGGTQLUFDEPH-UWVGGRQHSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)cc1C ZINC000768448237 1022967723 /nfs/dbraw/zinc/96/77/23/1022967723.db2.gz BPOSOHUQYJTYBC-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)cc1C ZINC000768446729 1022968165 /nfs/dbraw/zinc/96/81/65/1022968165.db2.gz NSXVLSZZDMEGDD-QGZVFWFLSA-N 1 0 311.425 3.774 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3)C1)CCCC2 ZINC000768442683 1022968245 /nfs/dbraw/zinc/96/82/45/1022968245.db2.gz YWIUOSLRTQGDOK-NRFANRHFSA-N 1 0 323.436 3.845 20 10 DHCDRO COc1cc(C[N@H+](C)CCCOc2ccccc2)c(O)cc1C ZINC000768439696 1022968777 /nfs/dbraw/zinc/96/87/77/1022968777.db2.gz MRCINKFESPERJD-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)cc1C ZINC000768453357 1022969106 /nfs/dbraw/zinc/96/91/06/1022969106.db2.gz VOXJBYULXYPVRK-CQSZACIVSA-N 1 0 315.388 3.838 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000768463848 1022973631 /nfs/dbraw/zinc/97/36/31/1022973631.db2.gz YAGVMQIJKRSVQL-ZWKOTPCHSA-N 1 0 315.457 3.520 20 10 DHCDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464219 1022974581 /nfs/dbraw/zinc/97/45/81/1022974581.db2.gz OOUYJYXJWVWECK-SFHVURJKSA-N 1 0 303.446 3.518 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccsc1Br)CC2 ZINC000296621298 1023010724 /nfs/dbraw/zinc/01/07/24/1023010724.db2.gz ZDYCPMICLHKZDN-NSHDSACASA-N 1 0 324.243 3.993 20 10 DHCDRO COc1ccccc1OCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000768821543 1023037683 /nfs/dbraw/zinc/03/76/83/1023037683.db2.gz BPSREDHGLUKBAP-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO OCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000768946263 1023053625 /nfs/dbraw/zinc/05/36/25/1023053625.db2.gz LSHVPZFJQLLLOK-GOSISDBHSA-N 1 0 323.392 3.866 20 10 DHCDRO Cc1cc(O)c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC000768913729 1023055999 /nfs/dbraw/zinc/05/59/99/1023055999.db2.gz QXSSKBIGDASPQG-ZIFCJYIRSA-N 1 0 316.489 3.846 20 10 DHCDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)c1 ZINC000768936816 1023059542 /nfs/dbraw/zinc/05/95/42/1023059542.db2.gz PFKGEMMIVANCRG-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000768929699 1023060664 /nfs/dbraw/zinc/06/06/64/1023060664.db2.gz JYGDGMWTCWPDOE-AWEZNQCLSA-N 1 0 313.397 3.747 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000769000339 1023076179 /nfs/dbraw/zinc/07/61/79/1023076179.db2.gz SWZPQFRNOOQCMN-UHFFFAOYSA-N 1 0 316.832 3.758 20 10 DHCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769005243 1023077589 /nfs/dbraw/zinc/07/75/89/1023077589.db2.gz ARXXVZVRKKWYHO-LBPRGKRZSA-N 1 0 314.223 3.538 20 10 DHCDRO CCC[N@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1O ZINC000769201620 1023101058 /nfs/dbraw/zinc/10/10/58/1023101058.db2.gz YBXQIPSCIVPNJR-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CC(C)(C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769208666 1023102027 /nfs/dbraw/zinc/10/20/27/1023102027.db2.gz PLNDHZMVFOYBKX-UHFFFAOYSA-N 1 0 316.489 3.781 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN(C2CC2)C1 ZINC000769327025 1023122853 /nfs/dbraw/zinc/12/28/53/1023122853.db2.gz SXJAKZUEUAXTRR-FQEVSTJZSA-N 1 0 322.452 3.728 20 10 DHCDRO CCC[N@@H+](Cc1cc(OCC)ccc1O)C[C@H]1CCCCO1 ZINC000769339579 1023128696 /nfs/dbraw/zinc/12/86/96/1023128696.db2.gz SMZVCPMXHUVCGA-QGZVFWFLSA-N 1 0 307.434 3.572 20 10 DHCDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000769342285 1023128880 /nfs/dbraw/zinc/12/88/80/1023128880.db2.gz JAAKVRUOZDDEED-UHFFFAOYSA-N 1 0 318.505 3.907 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)OCc1ccccc13)CCC2 ZINC000184811744 1023129597 /nfs/dbraw/zinc/12/95/97/1023129597.db2.gz NPLKGSBMIXMIET-OAQYLSRUSA-N 1 0 321.420 3.512 20 10 DHCDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769353999 1023132315 /nfs/dbraw/zinc/13/23/15/1023132315.db2.gz YSDCNCBVMQQFRX-KRWDZBQOSA-N 1 0 322.452 3.643 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H](SCC)C2)c1 ZINC000769403228 1023143634 /nfs/dbraw/zinc/14/36/34/1023143634.db2.gz GWYIGXSJEGIAQM-INIZCTEOSA-N 1 0 309.475 3.899 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000769426841 1023147640 /nfs/dbraw/zinc/14/76/40/1023147640.db2.gz IRIDDLBLPBBZOC-SFHVURJKSA-N 1 0 315.438 3.691 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000769396513 1023149697 /nfs/dbraw/zinc/14/96/97/1023149697.db2.gz LYAHWVOWJFLRKO-HNNXBMFYSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464782 1023159161 /nfs/dbraw/zinc/15/91/61/1023159161.db2.gz ANVMVIRFNUYCII-DZGCQCFKSA-N 1 0 315.388 3.918 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000769469751 1023161031 /nfs/dbraw/zinc/16/10/31/1023161031.db2.gz DSKSWNQFBNUTDG-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO COCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000319508889 1023161795 /nfs/dbraw/zinc/16/17/95/1023161795.db2.gz ZDGYBNOPOVUNKU-UHFFFAOYSA-N 1 0 302.462 3.583 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)Oc1cccc(F)c1 ZINC000756606001 1023165956 /nfs/dbraw/zinc/16/59/56/1023165956.db2.gz AANHNGMHDCJQLZ-RYUDHWBXSA-N 1 0 307.340 3.789 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000769497792 1023166866 /nfs/dbraw/zinc/16/68/66/1023166866.db2.gz BHULPBXEVHQXMB-DOTOQJQBSA-N 1 0 311.425 3.854 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c1O ZINC000769499341 1023168745 /nfs/dbraw/zinc/16/87/45/1023168745.db2.gz QLPUHQVUAUPYEY-WBVHZDCISA-N 1 0 311.425 3.854 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC12CCCCC2 ZINC000769505725 1023170865 /nfs/dbraw/zinc/17/08/65/1023170865.db2.gz MGMGJPILYFNBHR-UHFFFAOYSA-N 1 0 314.473 3.822 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c(O)c1 ZINC000769551079 1023177618 /nfs/dbraw/zinc/17/76/18/1023177618.db2.gz UZESNOCXNZRITD-GOEBONIOSA-N 1 0 309.475 3.897 20 10 DHCDRO CCSC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691464814 1023189138 /nfs/dbraw/zinc/18/91/38/1023189138.db2.gz GNDSWZZBCZMMBX-UHFFFAOYSA-N 1 0 316.264 3.530 20 10 DHCDRO Clc1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000769915135 1023232639 /nfs/dbraw/zinc/23/26/39/1023232639.db2.gz YVGCXIVJPMGNOC-UHFFFAOYSA-N 1 0 305.881 3.525 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)c2c1c(F)ccc2O ZINC000756624951 1023235072 /nfs/dbraw/zinc/23/50/72/1023235072.db2.gz HZAPTQOGTKCMSP-OCCSQVGLSA-N 1 0 307.409 3.612 20 10 DHCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000769873570 1023237404 /nfs/dbraw/zinc/23/74/04/1023237404.db2.gz JAWHTLFPWHSYAB-CYBMUJFWSA-N 1 0 301.434 3.771 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000770287027 1023291637 /nfs/dbraw/zinc/29/16/37/1023291637.db2.gz UNFSLUYLDZQNQI-SJLPKXTDSA-N 1 0 320.452 3.673 20 10 DHCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H]1CCC[C@H]1O ZINC000770292654 1023292267 /nfs/dbraw/zinc/29/22/67/1023292267.db2.gz NVHYPTDUOVHNIF-PKOBYXMFSA-N 1 0 311.425 3.652 20 10 DHCDRO COc1cccc(O)c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000770301755 1023294029 /nfs/dbraw/zinc/29/40/29/1023294029.db2.gz BPUZZRHKOVPZJM-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000770354552 1023303614 /nfs/dbraw/zinc/30/36/14/1023303614.db2.gz YANOPWMZCDYFTE-ROUUACIJSA-N 1 0 302.462 3.532 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000691488550 1023421949 /nfs/dbraw/zinc/42/19/49/1023421949.db2.gz PEZORQMYAOQXOK-JTQLQIEISA-N 1 0 320.177 3.680 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000691488555 1023422084 /nfs/dbraw/zinc/42/20/84/1023422084.db2.gz PEZORQMYAOQXOK-SNVBAGLBSA-N 1 0 320.177 3.680 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000771384008 1023428627 /nfs/dbraw/zinc/42/86/27/1023428627.db2.gz NFXQSZGPTDGVDX-CYBMUJFWSA-N 1 0 301.409 3.754 20 10 DHCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnc1Cl ZINC000771934875 1023489178 /nfs/dbraw/zinc/48/91/78/1023489178.db2.gz DTBQAEGZUXBCLC-UHFFFAOYSA-N 1 0 303.837 3.741 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000771935586 1023489954 /nfs/dbraw/zinc/48/99/54/1023489954.db2.gz YUAWLZZBCICNAY-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(N(C)C)cc1 ZINC000772465293 1023556975 /nfs/dbraw/zinc/55/69/75/1023556975.db2.gz GPCYIBYIHNEQAS-CUYAVPTFSA-N 1 0 304.478 3.877 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1C ZINC000785614083 1023598586 /nfs/dbraw/zinc/59/85/86/1023598586.db2.gz IWOARBKASQQSAQ-KRWDZBQOSA-N 1 0 323.795 3.625 20 10 DHCDRO COc1ncccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000785692733 1023606079 /nfs/dbraw/zinc/60/60/79/1023606079.db2.gz IDLIPIWNAABWLL-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1F ZINC000066906389 1023738500 /nfs/dbraw/zinc/73/85/00/1023738500.db2.gz DIUAEKOVFIFXOT-UHFFFAOYSA-N 1 0 311.404 3.833 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000787421481 1023791048 /nfs/dbraw/zinc/79/10/48/1023791048.db2.gz RYKWUADKRXWMKU-CQSZACIVSA-N 1 0 317.351 3.954 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(F)ccc1O ZINC000756779545 1023796045 /nfs/dbraw/zinc/79/60/45/1023796045.db2.gz SDHBDIPYYXJXDY-FFFUXKDYSA-N 1 0 313.463 3.562 20 10 DHCDRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000314072354 1023850138 /nfs/dbraw/zinc/85/01/38/1023850138.db2.gz LQXYBDIXYUHJJY-QGZVFWFLSA-N 1 0 304.478 3.829 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1C ZINC000788260018 1023865532 /nfs/dbraw/zinc/86/55/32/1023865532.db2.gz QWNGDSATSROLFZ-WBVHZDCISA-N 1 0 315.461 3.833 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000788508386 1023897863 /nfs/dbraw/zinc/89/78/63/1023897863.db2.gz XIJMVFWTVQAQEA-UHFFFAOYSA-N 1 0 324.428 3.806 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cc3ccccc3[nH]2)n1 ZINC000788520570 1023900286 /nfs/dbraw/zinc/90/02/86/1023900286.db2.gz CPXVOPAEKQRKFG-UHFFFAOYSA-N 1 0 303.456 3.896 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c(O)c1 ZINC000788528234 1023905770 /nfs/dbraw/zinc/90/57/70/1023905770.db2.gz QHZLSINQFFXONI-BBWFWOEESA-N 1 0 304.478 3.923 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)c(O)c1 ZINC000788528243 1023906494 /nfs/dbraw/zinc/90/64/94/1023906494.db2.gz QHZLSINQFFXONI-ZACQAIPSSA-N 1 0 304.478 3.923 20 10 DHCDRO CC1=CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000788566053 1023907783 /nfs/dbraw/zinc/90/77/83/1023907783.db2.gz YEHAVNGNHATFON-FUHWJXTLSA-N 1 0 300.446 3.673 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c(O)c1 ZINC000788616198 1023913761 /nfs/dbraw/zinc/91/37/61/1023913761.db2.gz YEENGUDAPDSJSM-OAHLLOKOSA-N 1 0 301.434 3.712 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOCC(F)(F)F)c(O)c1 ZINC000788649327 1023914087 /nfs/dbraw/zinc/91/40/87/1023914087.db2.gz SAONKVNSXVOJGA-LBPRGKRZSA-N 1 0 305.340 3.629 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOCC(F)(F)F)c(O)c1 ZINC000788649326 1023914531 /nfs/dbraw/zinc/91/45/31/1023914531.db2.gz SAONKVNSXVOJGA-GFCCVEGCSA-N 1 0 305.340 3.629 20 10 DHCDRO CCCN(Cc1ccc(NC(C)=O)cc1)c1ccc(C[NH3+])cc1 ZINC000194979555 1024020089 /nfs/dbraw/zinc/02/00/89/1024020089.db2.gz SQWOQQAGLGXHEZ-UHFFFAOYSA-N 1 0 311.429 3.520 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000789506798 1024104689 /nfs/dbraw/zinc/10/46/89/1024104689.db2.gz NPTOLEPEWTZIJA-HKUYNNGSSA-N 1 0 303.446 3.967 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789511419 1024106538 /nfs/dbraw/zinc/10/65/38/1024106538.db2.gz ZYLJHFPHQDIIAI-DOTOQJQBSA-N 1 0 319.445 3.539 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000129957224 1024109489 /nfs/dbraw/zinc/10/94/89/1024109489.db2.gz LMHQBPQMTREDNZ-INIZCTEOSA-N 1 0 320.452 3.673 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268785067 1024161251 /nfs/dbraw/zinc/16/12/51/1024161251.db2.gz ZQSSMXNFGGKSSP-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268818099 1024169543 /nfs/dbraw/zinc/16/95/43/1024169543.db2.gz NDGJSVARGHVEKH-QZTJIDSGSA-N 1 0 312.461 3.604 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)cc1 ZINC000268858287 1024179214 /nfs/dbraw/zinc/17/92/14/1024179214.db2.gz IWYRSBLVXODXJU-INIZCTEOSA-N 1 0 322.456 3.950 20 10 DHCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000268875950 1024184447 /nfs/dbraw/zinc/18/44/47/1024184447.db2.gz DUJLGOLAOKOOKE-MRXNPFEDSA-N 1 0 312.461 3.744 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000268899521 1024191626 /nfs/dbraw/zinc/19/16/26/1024191626.db2.gz LWVNIEZPAVMXPV-INIZCTEOSA-N 1 0 322.456 3.950 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1Cl ZINC000825922138 1033192191 /nfs/dbraw/zinc/19/21/91/1033192191.db2.gz JKCWSGKYQNYTRO-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000268974772 1024207960 /nfs/dbraw/zinc/20/79/60/1024207960.db2.gz JATJUIOUEARKIT-YESZJQIVSA-N 1 0 304.478 3.735 20 10 DHCDRO CCn1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000790450251 1024304107 /nfs/dbraw/zinc/30/41/07/1024304107.db2.gz IBFTXXKCBLZPBW-UHFFFAOYSA-N 1 0 316.445 3.849 20 10 DHCDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CC[C@H](C)C1 ZINC000790476862 1024308261 /nfs/dbraw/zinc/30/82/61/1024308261.db2.gz FDVWZHALFPJFEF-GOEBONIOSA-N 1 0 314.429 3.577 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000270113838 1024352732 /nfs/dbraw/zinc/35/27/32/1024352732.db2.gz NKLSYNADNVLEJK-WSVYEEACSA-N 1 0 323.845 3.634 20 10 DHCDRO CC1CCC(C)([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877009000 1033204917 /nfs/dbraw/zinc/20/49/17/1033204917.db2.gz DOGLBWLUFDURNW-UHFFFAOYSA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(O)c1C ZINC000790751151 1024371846 /nfs/dbraw/zinc/37/18/46/1024371846.db2.gz SKOYLKJXYZTGNP-MRXNPFEDSA-N 1 0 304.478 3.782 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000270623955 1024409446 /nfs/dbraw/zinc/40/94/46/1024409446.db2.gz GDQZLTIEKIUFOM-PBHICJAKSA-N 1 0 308.441 3.575 20 10 DHCDRO C[NH+](C)CCc1ccccc1NCc1c(O)ccc(Cl)c1F ZINC000790992990 1024413627 /nfs/dbraw/zinc/41/36/27/1024413627.db2.gz SAHDFURCYJDQTJ-UHFFFAOYSA-N 1 0 322.811 3.901 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2OC)c(O)c1 ZINC000790994987 1024416565 /nfs/dbraw/zinc/41/65/65/1024416565.db2.gz CYLAOQPTFJBCEO-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388073 1024423244 /nfs/dbraw/zinc/42/32/44/1024423244.db2.gz LRJRXAUCWFUSHE-QZTJIDSGSA-N 1 0 319.408 3.607 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398467 1024428101 /nfs/dbraw/zinc/42/81/01/1024428101.db2.gz NJQIKFLXXWFJPA-IBGZPJMESA-N 1 0 321.424 3.731 20 10 DHCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC001320419080 1024443678 /nfs/dbraw/zinc/44/36/78/1024443678.db2.gz BQKXFTVKENIOSR-QWRGUYRKSA-N 1 0 313.825 3.817 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)OCO2 ZINC000132305328 1024469928 /nfs/dbraw/zinc/46/99/28/1024469928.db2.gz YHIIEKBSBXHVQT-NSHDSACASA-N 1 0 322.455 3.705 20 10 DHCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000271339544 1024491632 /nfs/dbraw/zinc/49/16/32/1024491632.db2.gz GMBABBKRRNGSRF-CVEARBPZSA-N 1 0 311.425 3.964 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282832355 1024502410 /nfs/dbraw/zinc/50/24/10/1024502410.db2.gz BUNWNLJYMVGLHY-KRWDZBQOSA-N 1 0 318.848 3.747 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1cccc(F)c1 ZINC000271464043 1024513991 /nfs/dbraw/zinc/51/39/91/1024513991.db2.gz IBICNWFBGBOFRJ-IQUTYRLHSA-N 1 0 316.420 3.664 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000271481325 1024517576 /nfs/dbraw/zinc/51/75/76/1024517576.db2.gz JAUUTPKRQYSBAD-WMZOPIPTSA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000271481322 1024517897 /nfs/dbraw/zinc/51/78/97/1024517897.db2.gz JAUUTPKRQYSBAD-SJLPKXTDSA-N 1 0 302.462 3.895 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCC1CCOCC1 ZINC001202572697 1024578109 /nfs/dbraw/zinc/57/81/09/1024578109.db2.gz ZOYUCUUHEIGKQT-UHFFFAOYSA-N 1 0 300.446 3.783 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000792190187 1024645747 /nfs/dbraw/zinc/64/57/47/1024645747.db2.gz QXGALOLFIVNXTO-CYBMUJFWSA-N 1 0 305.315 3.942 20 10 DHCDRO C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOc2ccccc21 ZINC000897386384 1024684327 /nfs/dbraw/zinc/68/43/27/1024684327.db2.gz VTPUVPQAAPFTFF-QGZVFWFLSA-N 1 0 321.779 3.972 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCCc3sccc32)c(O)c1OC ZINC000893639382 1024735664 /nfs/dbraw/zinc/73/56/64/1024735664.db2.gz YNDRJLOZQWQLDZ-CYBMUJFWSA-N 1 0 319.426 3.638 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2C)c(O)cc1C ZINC000792707486 1024786197 /nfs/dbraw/zinc/78/61/97/1024786197.db2.gz MXHYQYIXEBADPK-UHFFFAOYSA-N 1 0 303.377 3.789 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c(O)c1 ZINC000897419304 1024790610 /nfs/dbraw/zinc/79/06/10/1024790610.db2.gz DCZUCIJTGHNSLD-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO CSC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993571 1024859747 /nfs/dbraw/zinc/85/97/47/1024859747.db2.gz VOYPKCRAGYAPKE-JTQLQIEISA-N 1 0 306.397 3.613 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(O)c1 ZINC000877119217 1033243675 /nfs/dbraw/zinc/24/36/75/1033243675.db2.gz VBXOUUHXRNQAQP-VQIMIIECSA-N 1 0 311.425 3.958 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2c(C)cccc2O)c(C)n1 ZINC000877126864 1033246329 /nfs/dbraw/zinc/24/63/29/1033246329.db2.gz UYHQPUXKAWDAJI-UHFFFAOYSA-N 1 0 301.434 3.686 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000877123323 1033247297 /nfs/dbraw/zinc/24/72/97/1033247297.db2.gz TXOLTYQVYATUOL-AWEZNQCLSA-N 1 0 323.396 3.644 20 10 DHCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231129 1024945476 /nfs/dbraw/zinc/94/54/76/1024945476.db2.gz LBSHKBYRJIVZOH-PWSUYJOCSA-N 1 0 304.331 3.664 20 10 DHCDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000793232760 1024945787 /nfs/dbraw/zinc/94/57/87/1024945787.db2.gz NIJWKUJCLDFLER-IBGZPJMESA-N 1 0 313.441 3.828 20 10 DHCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877133340 1033249054 /nfs/dbraw/zinc/24/90/54/1033249054.db2.gz FJYMVZKNLHZJMK-LIRRHRJNSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877133338 1033249466 /nfs/dbraw/zinc/24/94/66/1033249466.db2.gz FJYMVZKNLHZJMK-IFXJQAMLSA-N 1 0 315.413 3.575 20 10 DHCDRO CCOc1ccc(C[NH2+]CCCc2ccccc2F)c(O)c1 ZINC000793347880 1025018211 /nfs/dbraw/zinc/01/82/11/1025018211.db2.gz TYFNXJJRRFDYGF-UHFFFAOYSA-N 1 0 303.377 3.652 20 10 DHCDRO CCn1nccc1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000279379592 1025022766 /nfs/dbraw/zinc/02/27/66/1025022766.db2.gz IYWKRNZYMSUJLY-UHFFFAOYSA-N 1 0 319.836 3.642 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000279485270 1025045348 /nfs/dbraw/zinc/04/53/48/1025045348.db2.gz LDFGAWSCHKPRSL-APPDUMDISA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000279485283 1025046258 /nfs/dbraw/zinc/04/62/58/1025046258.db2.gz LDFGAWSCHKPRSL-PIGZYNQJSA-N 1 0 323.795 3.877 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1F ZINC000066236809 1025061258 /nfs/dbraw/zinc/06/12/58/1025061258.db2.gz CJKYVYSTNFTZHB-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000793525237 1025074777 /nfs/dbraw/zinc/07/47/77/1025074777.db2.gz KCLAAMKAKLIXEC-LLVKDONJSA-N 1 0 318.804 3.529 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC000753753365 1025082369 /nfs/dbraw/zinc/08/23/69/1025082369.db2.gz WJXPTPKIWSMNEO-ULQDDVLXSA-N 1 0 304.478 3.999 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCC1(F)F ZINC000825944316 1033260533 /nfs/dbraw/zinc/26/05/33/1033260533.db2.gz SXZHRAZAAUGSBL-VIFPVBQESA-N 1 0 320.177 3.632 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1cccnc1 ZINC000793573406 1025126892 /nfs/dbraw/zinc/12/68/92/1025126892.db2.gz NHTDGAFRIIISON-IBGZPJMESA-N 1 0 308.425 3.859 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000793609663 1025129868 /nfs/dbraw/zinc/12/98/68/1025129868.db2.gz QYFIXSSLUXFPAN-OALUTQOASA-N 1 0 320.452 3.815 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COc3ccccc32)cc1Cl ZINC000825943952 1033269176 /nfs/dbraw/zinc/26/91/76/1033269176.db2.gz NUNDODATKRHXMB-CYBMUJFWSA-N 1 0 303.789 3.620 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C2CCOCC2)c1 ZINC000897445216 1025341719 /nfs/dbraw/zinc/34/17/19/1025341719.db2.gz DHFMSIZGRXHQDP-CYBMUJFWSA-N 1 0 307.434 3.504 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000885921224 1025405136 /nfs/dbraw/zinc/40/51/36/1025405136.db2.gz WNUBNIWIGHYUPE-IEBWSBKVSA-N 1 0 302.462 3.724 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000124389312 1025424267 /nfs/dbraw/zinc/42/42/67/1025424267.db2.gz XLVOTRNBTPBICI-QGZVFWFLSA-N 1 0 320.392 3.594 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008523 1025437159 /nfs/dbraw/zinc/43/71/59/1025437159.db2.gz OPNDKYWPYOMSHL-APWZRJJASA-N 1 0 301.430 3.563 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1Cl ZINC000825955177 1033283973 /nfs/dbraw/zinc/28/39/73/1033283973.db2.gz HNGMHTKYQBWRSF-UONOGXRCSA-N 1 0 301.764 3.831 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877382146 1033292027 /nfs/dbraw/zinc/29/20/27/1033292027.db2.gz NIIZRIHEYFSYGR-ZDUSSCGKSA-N 1 0 301.434 3.811 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000886345153 1025597777 /nfs/dbraw/zinc/59/77/77/1025597777.db2.gz STODHANSLKASEC-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000894016943 1025659089 /nfs/dbraw/zinc/65/90/89/1025659089.db2.gz JQTYFGMDVDYJAX-CYBMUJFWSA-N 1 0 301.386 3.608 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)c(O)c1OC ZINC000894029618 1025664980 /nfs/dbraw/zinc/66/49/80/1025664980.db2.gz NEPNMHWDJQUFEM-JTQLQIEISA-N 1 0 321.339 3.620 20 10 DHCDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1c(O)cccc1F ZINC000886585779 1025721879 /nfs/dbraw/zinc/72/18/79/1025721879.db2.gz FQNHQZWASRHEOO-NSHDSACASA-N 1 0 306.356 3.905 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000806132007 1025795437 /nfs/dbraw/zinc/79/54/37/1025795437.db2.gz QWLHKQGAPSQLFX-ZWKOTPCHSA-N 1 0 302.487 3.518 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168880 1025824919 /nfs/dbraw/zinc/82/49/19/1025824919.db2.gz DPKYSSAAVUPJQG-DYVFJYSZSA-N 1 0 306.425 3.502 20 10 DHCDRO CCOCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093393810 1025898490 /nfs/dbraw/zinc/89/84/90/1025898490.db2.gz CHYCLIBERPATNN-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000093684202 1026124159 /nfs/dbraw/zinc/12/41/59/1026124159.db2.gz YZDZBFFOOBNCIE-GOSISDBHSA-N 1 0 311.425 3.739 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1O ZINC000289744102 1026154305 /nfs/dbraw/zinc/15/43/05/1026154305.db2.gz QIHAGTJZELWBNR-HSALFYBXSA-N 1 0 323.436 3.705 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000289811695 1026185584 /nfs/dbraw/zinc/18/55/84/1026185584.db2.gz SXFOHSOWZGTJMO-VAMGGRTRSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000289826528 1026188671 /nfs/dbraw/zinc/18/86/71/1026188671.db2.gz OKYHZVTWUFMQBS-HNNXBMFYSA-N 1 0 318.804 3.786 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000289890222 1026220547 /nfs/dbraw/zinc/22/05/47/1026220547.db2.gz SOMQAIQZHGYWDW-IBGZPJMESA-N 1 0 309.409 3.576 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000237072791 1026293303 /nfs/dbraw/zinc/29/33/03/1026293303.db2.gz QQXUFGVMTWKQEF-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1OC ZINC000894173984 1026318474 /nfs/dbraw/zinc/31/84/74/1026318474.db2.gz SOMAFAXLPWRILT-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCC(F)(F)F)c1O ZINC000808682866 1026348225 /nfs/dbraw/zinc/34/82/25/1026348225.db2.gz XNRMISAHWDQZNL-VIFPVBQESA-N 1 0 311.731 3.584 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000808672832 1026352857 /nfs/dbraw/zinc/35/28/57/1026352857.db2.gz SDHDRLGEYFQMLZ-IUODEOHRSA-N 1 0 322.836 3.901 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808674486 1026353409 /nfs/dbraw/zinc/35/34/09/1026353409.db2.gz TWKMGXBVWGBQBL-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808674487 1026354493 /nfs/dbraw/zinc/35/44/93/1026354493.db2.gz TWKMGXBVWGBQBL-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1O ZINC000808679625 1026355826 /nfs/dbraw/zinc/35/58/26/1026355826.db2.gz VIVNNEMNDHHYNA-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808677859 1026355983 /nfs/dbraw/zinc/35/59/83/1026355983.db2.gz GADSKKBGVBXPGY-GFCCVEGCSA-N 1 0 307.825 3.600 20 10 DHCDRO Cc1cccc(NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808706953 1026357216 /nfs/dbraw/zinc/35/72/16/1026357216.db2.gz XWXGHTJTMYYATM-CYBMUJFWSA-N 1 0 319.836 3.820 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1O ZINC000808707009 1026358832 /nfs/dbraw/zinc/35/88/32/1026358832.db2.gz YQNIZRDWSAKZQA-WBMJQRKESA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c1O ZINC000808709724 1026360006 /nfs/dbraw/zinc/36/00/06/1026360006.db2.gz HOVXOITYJAIELD-CYBMUJFWSA-N 1 0 319.832 3.740 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1O ZINC000808710615 1026360690 /nfs/dbraw/zinc/36/06/90/1026360690.db2.gz SJCGKVCWRVBNSD-MLGOLLRUSA-N 1 0 311.853 3.802 20 10 DHCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000808709438 1026361272 /nfs/dbraw/zinc/36/12/72/1026361272.db2.gz BDSJCDCJYVHRRH-KCJUWKMLSA-N 1 0 311.731 3.582 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCO)c2ccco2)c1O ZINC000808715311 1026362321 /nfs/dbraw/zinc/36/23/21/1026362321.db2.gz TZFBIUFWBCFTQT-SMDDNHRTSA-N 1 0 309.793 3.721 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000808716462 1026364974 /nfs/dbraw/zinc/36/49/74/1026364974.db2.gz OACOIFAGDGIDDL-CYBMUJFWSA-N 1 0 323.864 3.947 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(O)c1C ZINC000808729595 1026368307 /nfs/dbraw/zinc/36/83/07/1026368307.db2.gz MNYKKPPXBBIJAU-BBRMVZONSA-N 1 0 315.388 3.802 20 10 DHCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000808725615 1026370626 /nfs/dbraw/zinc/37/06/26/1026370626.db2.gz YRTPPCKJEDPNPH-CQSZACIVSA-N 1 0 305.462 3.984 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000808728624 1026371226 /nfs/dbraw/zinc/37/12/26/1026371226.db2.gz SVXXMYAQLGGLEC-NVXWUHKLSA-N 1 0 310.441 3.970 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1O ZINC000808729358 1026383294 /nfs/dbraw/zinc/38/32/94/1026383294.db2.gz ZAUZJIWPGUBFLR-YGRLFVJLSA-N 1 0 321.779 3.839 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894207918 1026390580 /nfs/dbraw/zinc/39/05/80/1026390580.db2.gz AWQATTHOACJLDZ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Clc1ccnc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899392 1026465254 /nfs/dbraw/zinc/46/52/54/1026465254.db2.gz FCMLZZAKPMLDPT-MRXNPFEDSA-N 1 0 314.816 3.837 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280009082 1026569296 /nfs/dbraw/zinc/56/92/96/1026569296.db2.gz GNOFMDIFNSCOCI-INIZCTEOSA-N 1 0 315.461 3.800 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(C)cc1O ZINC000280032521 1026574966 /nfs/dbraw/zinc/57/49/66/1026574966.db2.gz IEZDRTQSXLEAJQ-HNNXBMFYSA-N 1 0 301.386 3.656 20 10 DHCDRO Cc1cc(Cl)cc(CNc2c[nH+]ccc2-n2cccn2)c1O ZINC000809632189 1026578568 /nfs/dbraw/zinc/57/85/68/1026578568.db2.gz NCTPWYBLZSCFGY-UHFFFAOYSA-N 1 0 314.776 3.547 20 10 DHCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000809655356 1026583325 /nfs/dbraw/zinc/58/33/25/1026583325.db2.gz IPNJSONZWUEZPQ-QGZVFWFLSA-N 1 0 319.832 3.895 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000809724584 1026603606 /nfs/dbraw/zinc/60/36/06/1026603606.db2.gz QJSQAQMGIPDYHX-XLIONFOSSA-N 1 0 315.505 3.591 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000809768163 1026606481 /nfs/dbraw/zinc/60/64/81/1026606481.db2.gz DEXSBTMYPBWXGU-QGZVFWFLSA-N 1 0 321.424 3.715 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCC2(F)CCC2)c1O ZINC000809770388 1026606489 /nfs/dbraw/zinc/60/64/89/1026606489.db2.gz XROKYWAZKIXFTG-UHFFFAOYSA-N 1 0 316.214 3.835 20 10 DHCDRO C[C@H](C[N@H+](Cc1cc(F)ccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809773844 1026607454 /nfs/dbraw/zinc/60/74/54/1026607454.db2.gz ALXABLJTSXLPCX-CABCVRRESA-N 1 0 317.404 3.518 20 10 DHCDRO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(C)cc1O ZINC000280223042 1026616943 /nfs/dbraw/zinc/61/69/43/1026616943.db2.gz UXSVOGZSBSSTFY-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809755758 1026618818 /nfs/dbraw/zinc/61/88/18/1026618818.db2.gz BVZFXCURXCSMAP-INIZCTEOSA-N 1 0 317.408 3.989 20 10 DHCDRO CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1ccc(C)cc1O ZINC000280265647 1026622890 /nfs/dbraw/zinc/62/28/90/1026622890.db2.gz XMURRTSNLXXSEQ-OAHLLOKOSA-N 1 0 309.475 3.654 20 10 DHCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809790360 1026628037 /nfs/dbraw/zinc/62/80/37/1026628037.db2.gz HMFUXXYWYZFNPW-HXUWFJFHSA-N 1 0 316.489 3.661 20 10 DHCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000809790991 1026629590 /nfs/dbraw/zinc/62/95/90/1026629590.db2.gz RMMPHAYFKCJFFZ-IBGZPJMESA-N 1 0 322.468 3.656 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC000280388908 1026642798 /nfs/dbraw/zinc/64/27/98/1026642798.db2.gz WRUJCSPEUFZLSN-SFHVURJKSA-N 1 0 307.434 3.572 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)OCCc2sccc21 ZINC000810170137 1026691723 /nfs/dbraw/zinc/69/17/23/1026691723.db2.gz FSSAMYZDZNBOBN-INIZCTEOSA-N 1 0 323.845 3.685 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810217226 1026709911 /nfs/dbraw/zinc/70/99/11/1026709911.db2.gz YXXVRNXMWGYTQL-TZMCWYRMSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810234619 1026717158 /nfs/dbraw/zinc/71/71/58/1026717158.db2.gz FHGJQSLTNDPWBZ-NRUUGDAUSA-N 1 0 305.340 3.611 20 10 DHCDRO COCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000810260043 1026720193 /nfs/dbraw/zinc/72/01/93/1026720193.db2.gz CHVLRRBIFXTXIC-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810263071 1026722571 /nfs/dbraw/zinc/72/25/71/1026722571.db2.gz KSCKOWYKBGVYQH-VNHYZAJKSA-N 1 0 308.441 3.790 20 10 DHCDRO CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810241880 1026728158 /nfs/dbraw/zinc/72/81/58/1026728158.db2.gz ZXBBWOKCTKMWMZ-CYBMUJFWSA-N 1 0 317.351 3.757 20 10 DHCDRO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1O ZINC000810248869 1026729801 /nfs/dbraw/zinc/72/98/01/1026729801.db2.gz HNSZSWHVAJTNDC-AWEZNQCLSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)c1c(F)cccc1F ZINC000271850169 1027161807 /nfs/dbraw/zinc/16/18/07/1027161807.db2.gz SXKNFPHEXVAPEC-CRAIPNDOSA-N 1 0 321.367 3.581 20 10 DHCDRO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001170667830 1027210533 /nfs/dbraw/zinc/21/05/33/1027210533.db2.gz YVVOSEAUCRLBOO-INIZCTEOSA-N 1 0 315.363 3.547 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000157610820 1027332783 /nfs/dbraw/zinc/33/27/83/1027332783.db2.gz OSKDIOSGNDMSOB-KUHUBIRLSA-N 1 0 316.420 3.666 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CC2 ZINC000296054390 1027529406 /nfs/dbraw/zinc/52/94/06/1027529406.db2.gz RFTBVBXXVKULNY-KRWDZBQOSA-N 1 0 324.424 3.886 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CC2 ZINC000296054393 1027529816 /nfs/dbraw/zinc/52/98/16/1027529816.db2.gz RFTBVBXXVKULNY-QGZVFWFLSA-N 1 0 324.424 3.886 20 10 DHCDRO [O-]c1c(F)cccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000296198436 1027570044 /nfs/dbraw/zinc/57/00/44/1027570044.db2.gz YZBMVPSUUYCEIH-INIZCTEOSA-N 1 0 307.315 3.977 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C\c2ccc(F)cc2)c1 ZINC000813330642 1027609271 /nfs/dbraw/zinc/60/92/71/1027609271.db2.gz BOEACULDZBCYTE-DHCBQETCSA-N 1 0 301.361 3.904 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccccc2Cl)C1 ZINC000813331091 1027609477 /nfs/dbraw/zinc/60/94/77/1027609477.db2.gz FDOHWDBSGPKCTI-UHFFFAOYSA-N 1 0 305.780 3.859 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC000778985395 1027718850 /nfs/dbraw/zinc/71/88/50/1027718850.db2.gz SCIUICVIWINTCE-QGZVFWFLSA-N 1 0 301.361 3.877 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876931 1027746912 /nfs/dbraw/zinc/74/69/12/1027746912.db2.gz DTNNKOZACMZYLR-YGRLFVJLSA-N 1 0 319.276 3.937 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+](C)C ZINC000813877310 1027747030 /nfs/dbraw/zinc/74/70/30/1027747030.db2.gz RNHBWUDSOFSEFW-NXEZZACHSA-N 1 0 305.249 3.547 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000813884427 1027749126 /nfs/dbraw/zinc/74/91/26/1027749126.db2.gz WABDMCMHSQBDFZ-HUUCEWRRSA-N 1 0 314.404 3.769 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000813883493 1027751407 /nfs/dbraw/zinc/75/14/07/1027751407.db2.gz NRKMDCHWOMYVFA-RHSMWYFYSA-N 1 0 314.404 3.851 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813884337 1027751632 /nfs/dbraw/zinc/75/16/32/1027751632.db2.gz TVIQRGZAUZTPGH-CABCVRRESA-N 1 0 314.404 3.769 20 10 DHCDRO Oc1ccc(F)cc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000779000269 1027758197 /nfs/dbraw/zinc/75/81/97/1027758197.db2.gz SRNUXJDENUMCBB-UHFFFAOYSA-N 1 0 314.335 3.710 20 10 DHCDRO C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC000779015110 1027818052 /nfs/dbraw/zinc/81/80/52/1027818052.db2.gz MYYBRUAYDAYNPL-HOTGVXAUSA-N 1 0 303.446 3.952 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364405346 1027821677 /nfs/dbraw/zinc/82/16/77/1027821677.db2.gz WZWRUDGXJVIGPJ-UTKZUKDTSA-N 1 0 324.468 3.843 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735104 1027850419 /nfs/dbraw/zinc/85/04/19/1027850419.db2.gz BNYJXZAEQDTACK-MRXNPFEDSA-N 1 0 311.425 3.966 20 10 DHCDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000779018903 1027850991 /nfs/dbraw/zinc/85/09/91/1027850991.db2.gz IZARIUYGGXOAFC-GOSISDBHSA-N 1 0 317.404 3.550 20 10 DHCDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2O)C1 ZINC000364622943 1027855519 /nfs/dbraw/zinc/85/55/19/1027855519.db2.gz MLHLWJXPJVYNJZ-WBVHZDCISA-N 1 0 313.445 3.939 20 10 DHCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCc2cccnc21 ZINC000365001409 1027896786 /nfs/dbraw/zinc/89/67/86/1027896786.db2.gz MZFVLFULSBVBON-INIZCTEOSA-N 1 0 300.377 3.826 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000814178132 1027913966 /nfs/dbraw/zinc/91/39/66/1027913966.db2.gz CYYVFPUTATXPFF-HNNXBMFYSA-N 1 0 309.837 3.603 20 10 DHCDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000814292404 1027990424 /nfs/dbraw/zinc/99/04/24/1027990424.db2.gz VPWRHYBNOJLJRS-WJDWOHSUSA-N 1 0 323.436 3.961 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Cl)cc1O ZINC000528003403 1028029189 /nfs/dbraw/zinc/02/91/89/1028029189.db2.gz SESVYJFRPBWLIK-WFASDCNBSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1ccc(C)cc1O ZINC000366452986 1028081427 /nfs/dbraw/zinc/08/14/27/1028081427.db2.gz SESDQJHOQLTSHM-RDJZCZTQSA-N 1 0 313.445 3.824 20 10 DHCDRO CC[C@H]([NH2+][C@]1(CO)CCCc2ccccc21)c1ccccc1O ZINC000367328569 1028167660 /nfs/dbraw/zinc/16/76/60/1028167660.db2.gz ZVIKCAYMMRMRTC-ICSRJNTNSA-N 1 0 311.425 3.657 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1[O-] ZINC000367491334 1028191248 /nfs/dbraw/zinc/19/12/48/1028191248.db2.gz SPUKUXVGBICYMC-ZENOOKHLSA-N 1 0 308.853 3.713 20 10 DHCDRO CCOc1ccc(N2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170765475 1028208581 /nfs/dbraw/zinc/20/85/81/1028208581.db2.gz UQLYUSAUQJLRFD-GGPHIMKMSA-N 1 0 314.473 3.642 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000830264557 1028263165 /nfs/dbraw/zinc/26/31/65/1028263165.db2.gz SJEHSOGYMOTQEW-UHFFFAOYSA-N 1 0 312.457 3.578 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107277 1028284482 /nfs/dbraw/zinc/28/44/82/1028284482.db2.gz XNBJZEHYTSCIKB-APPDUMDISA-N 1 0 307.340 3.536 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)ccc1N(C)C ZINC000815034487 1028338969 /nfs/dbraw/zinc/33/89/69/1028338969.db2.gz QMRCRBRBGYTWJP-OAQYLSRUSA-N 1 0 324.468 3.807 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)ccc1N(C)C ZINC000815084718 1028356652 /nfs/dbraw/zinc/35/66/52/1028356652.db2.gz AJPDYPJNPVDMKD-SFHVURJKSA-N 1 0 314.477 3.672 20 10 DHCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000815115939 1028362157 /nfs/dbraw/zinc/36/21/57/1028362157.db2.gz RWKXWFLWCVKXLG-UHFFFAOYSA-N 1 0 318.511 3.900 20 10 DHCDRO Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1N(C)C ZINC000815118503 1028366835 /nfs/dbraw/zinc/36/68/35/1028366835.db2.gz WJGZWDXRRHULPL-WMZOPIPTSA-N 1 0 304.478 3.577 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000160001435 1028378040 /nfs/dbraw/zinc/37/80/40/1028378040.db2.gz QFMBVCKBZGUBET-ZWKOTPCHSA-N 1 0 318.486 3.763 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(Cl)nc1 ZINC000368730194 1028401030 /nfs/dbraw/zinc/40/10/30/1028401030.db2.gz OXKILIWROCVUEO-GFCCVEGCSA-N 1 0 301.821 3.578 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000815148400 1028401285 /nfs/dbraw/zinc/40/12/85/1028401285.db2.gz VIGADNAIMJYTIY-OAHLLOKOSA-N 1 0 311.429 3.628 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C2CCOCC2)CC1 ZINC000368797992 1028412172 /nfs/dbraw/zinc/41/21/72/1028412172.db2.gz PTSNOYYFYPPBEI-GOSISDBHSA-N 1 0 303.446 3.982 20 10 DHCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815553445 1028540570 /nfs/dbraw/zinc/54/05/70/1028540570.db2.gz AMWDSBKWVLCQJT-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2)c(O)c1 ZINC000815566606 1028545531 /nfs/dbraw/zinc/54/55/31/1028545531.db2.gz ZARSNLPQBTWJCN-CQSZACIVSA-N 1 0 303.377 3.878 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c(O)c1 ZINC000815594836 1028562097 /nfs/dbraw/zinc/56/20/97/1028562097.db2.gz ZHWADLGXVCHGPU-LRDDRELGSA-N 1 0 321.367 3.671 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCSCC(F)(F)F)c(O)c1 ZINC000815599774 1028563558 /nfs/dbraw/zinc/56/35/58/1028563558.db2.gz AHUNQEAJFCPUAY-LLVKDONJSA-N 1 0 307.381 3.955 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(O)c1 ZINC000815574007 1028566975 /nfs/dbraw/zinc/56/69/75/1028566975.db2.gz AHYNOXOPBPPQRV-CQSZACIVSA-N 1 0 317.433 3.799 20 10 DHCDRO OC1CCN(c2ccc(C[NH2+]C3CCCCCCC3)cc2)CC1 ZINC000076275598 1028573545 /nfs/dbraw/zinc/57/35/45/1028573545.db2.gz FURYBTDSALFXEN-UHFFFAOYSA-N 1 0 316.489 3.850 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1 ZINC000815622026 1028574986 /nfs/dbraw/zinc/57/49/86/1028574986.db2.gz JSZKJBNLLHXYJW-HNNXBMFYSA-N 1 0 303.446 3.602 20 10 DHCDRO Cn1nccc1[C@@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000370201385 1028578490 /nfs/dbraw/zinc/57/84/90/1028578490.db2.gz KASANPPMLMCUSM-HNNXBMFYSA-N 1 0 305.809 3.506 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cocn1 ZINC000815606040 1028581597 /nfs/dbraw/zinc/58/15/97/1028581597.db2.gz MBFSRPBVPLBSHA-SFHVURJKSA-N 1 0 308.381 3.844 20 10 DHCDRO COC1(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000815641646 1028589381 /nfs/dbraw/zinc/58/93/81/1028589381.db2.gz DRCBEVHQBUHLDN-CQSZACIVSA-N 1 0 303.446 3.881 20 10 DHCDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815645478 1028590158 /nfs/dbraw/zinc/59/01/58/1028590158.db2.gz HAOIWUQMBVQHEO-OLZOCXBDSA-N 1 0 314.832 3.575 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000815648200 1028592130 /nfs/dbraw/zinc/59/21/30/1028592130.db2.gz GWVLIORQWXPJDQ-CRAIPNDOSA-N 1 0 304.478 3.592 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(C)cc1O ZINC000815648465 1028592011 /nfs/dbraw/zinc/59/20/11/1028592011.db2.gz NFHSHISBRRNEIG-SJLPKXTDSA-N 1 0 305.462 3.930 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000815651483 1028595859 /nfs/dbraw/zinc/59/58/59/1028595859.db2.gz UVGPQVURASQCJO-HIFRSBDPSA-N 1 0 317.351 3.877 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000189564004 1028613668 /nfs/dbraw/zinc/61/36/68/1028613668.db2.gz NQOJCYMIUIPBAO-OAHLLOKOSA-N 1 0 313.445 3.787 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H](c3cccs3)C[C@H]2C)c1O ZINC000371397868 1028702803 /nfs/dbraw/zinc/70/28/03/1028702803.db2.gz FMGICWYLPPAPRE-OCCSQVGLSA-N 1 0 303.427 3.840 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000371868832 1028770392 /nfs/dbraw/zinc/77/03/92/1028770392.db2.gz CERMXNUEFCEGAB-DYVFJYSZSA-N 1 0 313.397 3.884 20 10 DHCDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000372718254 1028888576 /nfs/dbraw/zinc/88/85/76/1028888576.db2.gz PQAQSQAHBVPDIE-LSDHHAIUSA-N 1 0 307.434 3.600 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2O)cc1O ZINC000816495438 1028895956 /nfs/dbraw/zinc/89/59/56/1028895956.db2.gz WXBHDYPUNPFXLJ-UHFFFAOYSA-N 1 0 323.392 3.892 20 10 DHCDRO Cn1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1Cl ZINC000816508026 1028913148 /nfs/dbraw/zinc/91/31/48/1028913148.db2.gz ACESQAPGYBSYGY-UHFFFAOYSA-N 1 0 319.836 3.724 20 10 DHCDRO Oc1c(C[NH2+]CCCOCC(F)(F)F)ccc2ccccc21 ZINC000816534221 1028924157 /nfs/dbraw/zinc/92/41/57/1028924157.db2.gz BBJAXQONUQLRHE-UHFFFAOYSA-N 1 0 313.319 3.604 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCCCCSC)CC2)cc1 ZINC000372949656 1028925269 /nfs/dbraw/zinc/92/52/69/1028925269.db2.gz DTJUUSKVPPXHTE-UHFFFAOYSA-N 1 0 322.518 3.787 20 10 DHCDRO Oc1c(C[NH2+]Cc2cccc3c2OCCO3)ccc2ccccc21 ZINC000816528143 1028935226 /nfs/dbraw/zinc/93/52/26/1028935226.db2.gz OBXPFKHBAPHEJW-UHFFFAOYSA-N 1 0 321.376 3.606 20 10 DHCDRO CCCN(Cc1c(F)ccc(O)c1F)c1ccc(C[NH3+])cc1 ZINC000816592552 1028937993 /nfs/dbraw/zinc/93/79/93/1028937993.db2.gz NEWSEVRLFMBRPX-UHFFFAOYSA-N 1 0 306.356 3.546 20 10 DHCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816554053 1028941792 /nfs/dbraw/zinc/94/17/92/1028941792.db2.gz NRLWFCUVWFTTDW-UHFFFAOYSA-N 1 0 315.413 3.757 20 10 DHCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816557939 1028942042 /nfs/dbraw/zinc/94/20/42/1028942042.db2.gz HGDHPZXVQRMOIY-UHFFFAOYSA-N 1 0 310.397 3.948 20 10 DHCDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccsc1 ZINC000816552792 1028943146 /nfs/dbraw/zinc/94/31/46/1028943146.db2.gz XFLNDNMRFUNUNQ-GOSISDBHSA-N 1 0 313.422 3.604 20 10 DHCDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1cccs1 ZINC000816552671 1028943162 /nfs/dbraw/zinc/94/31/62/1028943162.db2.gz SGKUMCFTMXXRQD-GOSISDBHSA-N 1 0 313.422 3.604 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H](O)CCc2ccccc2)ccc2ccccc21 ZINC000816569042 1028949593 /nfs/dbraw/zinc/94/95/93/1028949593.db2.gz XGOQNYUWTWLTSX-IBGZPJMESA-N 1 0 321.420 3.629 20 10 DHCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000816624718 1028951493 /nfs/dbraw/zinc/95/14/93/1028951493.db2.gz FLVUOPLHJXCWGB-SFHVURJKSA-N 1 0 320.452 3.529 20 10 DHCDRO C[C@@](O)(CC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816574746 1028953708 /nfs/dbraw/zinc/95/37/08/1028953708.db2.gz QTYHLLYVAYLOAB-OAQYLSRUSA-N 1 0 321.420 3.933 20 10 DHCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)[C@H]1[C@@H]1CCCO1 ZINC000816614082 1028964971 /nfs/dbraw/zinc/96/49/71/1028964971.db2.gz MIFPCLDBJVDPMG-HKUYNNGSSA-N 1 0 311.425 3.935 20 10 DHCDRO COc1cc(CC[NH2+]Cc2cc(F)ccc2O)ccc1Cl ZINC000816664546 1028984120 /nfs/dbraw/zinc/98/41/20/1028984120.db2.gz TWGPWHPUVQAZDX-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C12CCCC2 ZINC000816630778 1028984449 /nfs/dbraw/zinc/98/44/49/1028984449.db2.gz RLJMRBYEWIQENT-IBGZPJMESA-N 1 0 314.473 3.556 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000816667425 1028984517 /nfs/dbraw/zinc/98/45/17/1028984517.db2.gz NCAFJASJEHBUAK-IBGZPJMESA-N 1 0 304.478 3.660 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CCc2ccccc2OC(F)F)c1 ZINC000190884412 1029198824 /nfs/dbraw/zinc/19/88/24/1029198824.db2.gz VBLYKXZVEZMWIF-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000155347923 1029226282 /nfs/dbraw/zinc/22/62/82/1029226282.db2.gz FHTPJCWEBLCENN-JKSUJKDBSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000155348117 1029226967 /nfs/dbraw/zinc/22/69/67/1029226967.db2.gz FHTPJCWEBLCENN-HZPDHXFCSA-N 1 0 302.462 3.753 20 10 DHCDRO CC(C)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817941088 1029281773 /nfs/dbraw/zinc/28/17/73/1029281773.db2.gz IQPGBPGTWWDMBL-PMACEKPBSA-N 1 0 311.473 3.739 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938659 1029282880 /nfs/dbraw/zinc/28/28/80/1029282880.db2.gz OZANTYHTHNMIBC-CVEARBPZSA-N 1 0 303.475 3.555 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817943317 1029286305 /nfs/dbraw/zinc/28/63/05/1029286305.db2.gz UJKSWHIAKNWGRI-MOPGFXCFSA-N 1 0 315.436 3.632 20 10 DHCDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817946113 1029287173 /nfs/dbraw/zinc/28/71/73/1029287173.db2.gz RVBLWBJIKUAZHW-DOTOQJQBSA-N 1 0 319.468 3.609 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(C2CC2)c1 ZINC000817943823 1029287903 /nfs/dbraw/zinc/28/79/03/1029287903.db2.gz VTWCVFTZOYJZRV-BTYIYWSLSA-N 1 0 323.484 3.981 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817956814 1029296372 /nfs/dbraw/zinc/29/63/72/1029296372.db2.gz DGEITHSHYDDLQR-AWEZNQCLSA-N 1 0 306.331 3.506 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ncc(-c2ccccc2)n1C ZINC000817957093 1029297080 /nfs/dbraw/zinc/29/70/80/1029297080.db2.gz IVLRUSVCXDHSPP-HNNXBMFYSA-N 1 0 320.440 3.563 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000817955150 1029298583 /nfs/dbraw/zinc/29/85/83/1029298583.db2.gz REAOZFJYMDSBKX-WBMJQRKESA-N 1 0 304.821 3.705 20 10 DHCDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956713 1029298822 /nfs/dbraw/zinc/29/88/22/1029298822.db2.gz BAQGTKKAZQICHZ-IEBWSBKVSA-N 1 0 309.457 3.831 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959424 1029299955 /nfs/dbraw/zinc/29/99/55/1029299955.db2.gz REMFYFNMXMUJNE-VXGBXAGGSA-N 1 0 305.249 3.723 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000817967212 1029306464 /nfs/dbraw/zinc/30/64/64/1029306464.db2.gz FQAUKAVIWUORKA-DIFFPNOSSA-N 1 0 300.377 3.842 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969272 1029308607 /nfs/dbraw/zinc/30/86/07/1029308607.db2.gz AREHRDQWZUGILQ-HERUPUMHSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972379 1029311885 /nfs/dbraw/zinc/31/18/85/1029311885.db2.gz WKRHKOLAPGQWOT-UDZFHETQSA-N 1 0 317.260 3.880 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817977218 1029313706 /nfs/dbraw/zinc/31/37/06/1029313706.db2.gz FAVANSQPHHZOII-BXKDBHETSA-N 1 0 305.249 3.867 20 10 DHCDRO CC[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817984630 1029320995 /nfs/dbraw/zinc/32/09/95/1029320995.db2.gz WBQQNQVHXAAOEV-OCCSQVGLSA-N 1 0 316.367 3.594 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+][C@@H]2CC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000818231317 1029358284 /nfs/dbraw/zinc/35/82/84/1029358284.db2.gz NWTHDMPJNAOBPT-HZPDHXFCSA-N 1 0 305.462 3.600 20 10 DHCDRO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(N(C)C)cc1 ZINC000156004854 1029358647 /nfs/dbraw/zinc/35/86/47/1029358647.db2.gz XVTDENXYEGXIRA-GOSISDBHSA-N 1 0 301.434 3.641 20 10 DHCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341719 1029373173 /nfs/dbraw/zinc/37/31/73/1029373173.db2.gz DRVWLNUJDHUEJX-JKSUJKDBSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H]3C(C)(C)C)C2)cc1 ZINC000818343125 1029375022 /nfs/dbraw/zinc/37/50/22/1029375022.db2.gz YHYKGGNDCRBQDE-LZQZEXGQSA-N 1 0 316.489 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC3CCC3)C2)cc1 ZINC000818342991 1029375827 /nfs/dbraw/zinc/37/58/27/1029375827.db2.gz XNNHEBKUHAIDFV-NVXWUHKLSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000818342075 1029376409 /nfs/dbraw/zinc/37/64/09/1029376409.db2.gz LGHOFKKMBQLFBY-VQIMIIECSA-N 1 0 314.473 3.834 20 10 DHCDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000818618924 1029421894 /nfs/dbraw/zinc/42/18/94/1029421894.db2.gz UUEMRBBUACRHSA-ZTFGCOKTSA-N 1 0 319.468 3.737 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000163329578 1029785561 /nfs/dbraw/zinc/78/55/61/1029785561.db2.gz CZMOXSKRPDGICM-UONOGXRCSA-N 1 0 308.441 3.748 20 10 DHCDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000148407955 1029840075 /nfs/dbraw/zinc/84/00/75/1029840075.db2.gz NPQMERVASAYBBQ-UHFFFAOYSA-N 1 0 307.441 3.875 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000865651518 1029959921 /nfs/dbraw/zinc/95/99/21/1029959921.db2.gz VTOWPJWXLLQZFG-AEFFLSMTSA-N 1 0 319.351 3.599 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2CCOC3)c(Cl)c1 ZINC000865723854 1029990832 /nfs/dbraw/zinc/99/08/32/1029990832.db2.gz BQKSRMFVAFODQC-UHFFFAOYSA-N 1 0 317.816 3.717 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC(CO)CC1 ZINC000290359691 1030013427 /nfs/dbraw/zinc/01/34/27/1030013427.db2.gz GTCAHLYKZGTYAH-UHFFFAOYSA-N 1 0 316.489 3.660 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000865839925 1030055066 /nfs/dbraw/zinc/05/50/66/1030055066.db2.gz YCKCJIYNKCWWBH-MRXNPFEDSA-N 1 0 314.477 3.897 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000865871879 1030070423 /nfs/dbraw/zinc/07/04/23/1030070423.db2.gz MPMHWXPMYDMLKQ-GOSISDBHSA-N 1 0 319.408 3.880 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1 ZINC000924710487 1030168426 /nfs/dbraw/zinc/16/84/26/1030168426.db2.gz LLHYLJANYWSCQV-DMKPSLHHSA-N 1 0 302.462 3.580 20 10 DHCDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000866248042 1030178748 /nfs/dbraw/zinc/17/87/48/1030178748.db2.gz JYDBVZALAXDQJG-GOSISDBHSA-N 1 0 314.404 3.677 20 10 DHCDRO F[C@H]1COc2ccccc2[C@@H]1[NH2+]CCCSc1nccs1 ZINC000866270187 1030193052 /nfs/dbraw/zinc/19/30/52/1030193052.db2.gz SYTLQUXBQLZINW-JSGCOSHPSA-N 1 0 324.446 3.687 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3cccc(F)c3C2)cc1 ZINC001171005963 1030210125 /nfs/dbraw/zinc/21/01/25/1030210125.db2.gz URGIAEUZFBKMAJ-GOSISDBHSA-N 1 0 312.432 3.881 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccnn1C1CCC1 ZINC000924869616 1030211779 /nfs/dbraw/zinc/21/17/79/1030211779.db2.gz HZWHLWDCNQUXRB-HNNXBMFYSA-N 1 0 324.472 3.841 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485260 1030321980 /nfs/dbraw/zinc/32/19/80/1030321980.db2.gz HSLVNMAOPMAACQ-IINYFYTJSA-N 1 0 310.353 3.577 20 10 DHCDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866505215 1030330564 /nfs/dbraw/zinc/33/05/64/1030330564.db2.gz VRMTUJORBUQESM-JTQLQIEISA-N 1 0 316.239 3.620 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291157357 1030369317 /nfs/dbraw/zinc/36/93/17/1030369317.db2.gz CACLYOMXLGRDMD-LJQANCHMSA-N 1 0 319.408 3.703 20 10 DHCDRO COC[C@H](C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823729645 1030383626 /nfs/dbraw/zinc/38/36/26/1030383626.db2.gz IFXAYQXXZPHAAB-OAHLLOKOSA-N 1 0 318.486 3.757 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000823729443 1030385063 /nfs/dbraw/zinc/38/50/63/1030385063.db2.gz GWTWKIKOBRGNNZ-DOTOQJQBSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823730674 1030385165 /nfs/dbraw/zinc/38/51/65/1030385165.db2.gz ZBAVIIKRJSCZRN-CVEARBPZSA-N 1 0 304.478 3.999 20 10 DHCDRO COCC(C)(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823770674 1030392444 /nfs/dbraw/zinc/39/24/44/1030392444.db2.gz AKXVVMDCUVTNTM-UHFFFAOYSA-N 1 0 318.486 3.899 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000866623189 1030411567 /nfs/dbraw/zinc/41/15/67/1030411567.db2.gz NSEXVHVZAHSTMX-CJNGLKHVSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cc(F)cc(C[NH2+]CCCSc2nccs2)c1 ZINC000823937928 1030440390 /nfs/dbraw/zinc/44/03/90/1030440390.db2.gz NQBILQROKWBXRQ-UHFFFAOYSA-N 1 0 312.435 3.563 20 10 DHCDRO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c(C)s1 ZINC000772878424 1030464387 /nfs/dbraw/zinc/46/43/87/1030464387.db2.gz KPUBLFNOLAZTDL-GFCCVEGCSA-N 1 0 303.475 3.985 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)Cc2coc3ccccc23)c(O)c1 ZINC000824320739 1030523009 /nfs/dbraw/zinc/52/30/09/1030523009.db2.gz JYILGAHPPJWRLM-ZDUSSCGKSA-N 1 0 311.381 3.868 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)Cc2coc3ccccc23)c(O)c1 ZINC000824320736 1030524441 /nfs/dbraw/zinc/52/44/41/1030524441.db2.gz JYILGAHPPJWRLM-CYBMUJFWSA-N 1 0 311.381 3.868 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925880145 1030532072 /nfs/dbraw/zinc/53/20/72/1030532072.db2.gz OQLRGLODXSNBEM-OLUVUFQESA-N 1 0 317.260 3.867 20 10 DHCDRO CCSc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000291687491 1030599932 /nfs/dbraw/zinc/59/99/32/1030599932.db2.gz IOOGXTNTQONSLL-UHFFFAOYSA-N 1 0 317.410 3.523 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000291735560 1030622723 /nfs/dbraw/zinc/62/27/23/1030622723.db2.gz OGRKUHHROCPJNV-FZKQIMNGSA-N 1 0 317.454 3.863 20 10 DHCDRO COC[C@H](C[NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1 ZINC000824758040 1030638568 /nfs/dbraw/zinc/63/85/68/1030638568.db2.gz GUPXTJSFUWJBTD-INIZCTEOSA-N 1 0 319.832 3.874 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000824856095 1030653957 /nfs/dbraw/zinc/65/39/57/1030653957.db2.gz SOCOBJUMMSEMJM-QGZVFWFLSA-N 1 0 309.837 3.747 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824964049 1030671945 /nfs/dbraw/zinc/67/19/45/1030671945.db2.gz IHGOBGYPGCQSNP-CQSZACIVSA-N 1 0 301.261 3.816 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000247997073 1030714331 /nfs/dbraw/zinc/71/43/31/1030714331.db2.gz JXUNQNKHPYKTQC-LIRZEXBASA-N 1 0 302.462 3.607 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1OC ZINC000825125045 1030732344 /nfs/dbraw/zinc/73/23/44/1030732344.db2.gz DQDCUXBZZCOETO-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1F ZINC000825144462 1030734357 /nfs/dbraw/zinc/73/43/57/1030734357.db2.gz NVEWOLBUPBECEB-UHFFFAOYSA-N 1 0 316.367 3.532 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000248482928 1030745126 /nfs/dbraw/zinc/74/51/26/1030745126.db2.gz CJLLJLLJICKMCQ-HFSCJMQWSA-N 1 0 309.409 3.637 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000825215388 1030750579 /nfs/dbraw/zinc/75/05/79/1030750579.db2.gz OKRVPLCQNXVHFH-QGZVFWFLSA-N 1 0 307.459 3.510 20 10 DHCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc2ccccc2c1O ZINC000248499650 1030750991 /nfs/dbraw/zinc/75/09/91/1030750991.db2.gz MZAUMMKSDFRHRV-DRWCTHJISA-N 1 0 319.404 3.854 20 10 DHCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000825284378 1030764539 /nfs/dbraw/zinc/76/45/39/1030764539.db2.gz MLLCGFQWXSZGHP-RTBURBONSA-N 1 0 302.462 3.724 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297331 1030768283 /nfs/dbraw/zinc/76/82/83/1030768283.db2.gz AZXOLZORRQSCKC-SNVBAGLBSA-N 1 0 308.809 3.680 20 10 DHCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825406722 1030802761 /nfs/dbraw/zinc/80/27/61/1030802761.db2.gz YFCMTVGSDBEEAM-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1Cl ZINC000825480079 1030834593 /nfs/dbraw/zinc/83/45/93/1030834593.db2.gz YHWCPPONCVVMKO-NSHDSACASA-N 1 0 305.752 3.558 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000825480075 1030835956 /nfs/dbraw/zinc/83/59/56/1030835956.db2.gz YHWCPPONCVVMKO-LLVKDONJSA-N 1 0 305.752 3.558 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915714 1030989720 /nfs/dbraw/zinc/98/97/20/1030989720.db2.gz LVEIJDHLYBQQKQ-MISXGVKJSA-N 1 0 303.324 3.543 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000926934595 1031006510 /nfs/dbraw/zinc/00/65/10/1031006510.db2.gz HFICZTXAFODVHI-COMQUAJESA-N 1 0 307.821 3.596 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)n1 ZINC000927053619 1031053601 /nfs/dbraw/zinc/05/36/01/1031053601.db2.gz RTFRUFLDUBWART-BFHYXJOUSA-N 1 0 315.417 3.633 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927112715 1031096660 /nfs/dbraw/zinc/09/66/60/1031096660.db2.gz QFFDDCGCJACPNU-GOSISDBHSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000927115161 1031101430 /nfs/dbraw/zinc/10/14/30/1031101430.db2.gz JEBLBGNYGXPXCQ-BFUOFWGJSA-N 1 0 315.388 3.886 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2ccc(SC)cc2)c(O)c1 ZINC000797879836 1031220376 /nfs/dbraw/zinc/22/03/76/1031220376.db2.gz OTBDNQIFFJTWLN-UHFFFAOYSA-N 1 0 317.454 3.845 20 10 DHCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000292926823 1031254716 /nfs/dbraw/zinc/25/47/16/1031254716.db2.gz IRWBSSOPIXKQHU-UHFFFAOYSA-N 1 0 313.445 3.826 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cn3ccsc3n2)c(O)c1 ZINC000293248264 1031398818 /nfs/dbraw/zinc/39/88/18/1031398818.db2.gz BKHKSNZFZBTOPR-LBPRGKRZSA-N 1 0 301.415 3.569 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Cl)ccc1O ZINC000844920881 1031400738 /nfs/dbraw/zinc/40/07/38/1031400738.db2.gz NTZOWIWHAPFSIP-RISCZKNCSA-N 1 0 302.805 3.733 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872078708 1031474988 /nfs/dbraw/zinc/47/49/88/1031474988.db2.gz DNGQTECSALJBKT-NVXWUHKLSA-N 1 0 304.478 3.539 20 10 DHCDRO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC000293644203 1031551262 /nfs/dbraw/zinc/55/12/62/1031551262.db2.gz HHFSWWWTTKNGDX-LLVKDONJSA-N 1 0 310.319 3.699 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1C ZINC000872261263 1031566458 /nfs/dbraw/zinc/56/64/58/1031566458.db2.gz BLTAMTGVNATUPS-SFHVURJKSA-N 1 0 303.446 3.933 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1O ZINC000124080774 1031608231 /nfs/dbraw/zinc/60/82/31/1031608231.db2.gz CGZLZAVEQWCSIO-MRXNPFEDSA-N 1 0 301.361 3.877 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000293779546 1031620272 /nfs/dbraw/zinc/62/02/72/1031620272.db2.gz QAZCAPLFCFTFKU-MJGOQNOKSA-N 1 0 311.425 3.835 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1 ZINC000293817938 1031638167 /nfs/dbraw/zinc/63/81/67/1031638167.db2.gz RXPJXTCPFFFYBV-CABCVRRESA-N 1 0 302.418 3.556 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000293872245 1031669334 /nfs/dbraw/zinc/66/93/34/1031669334.db2.gz YHNOYOXRZZUIOD-CYBMUJFWSA-N 1 0 301.434 3.852 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCCCn2ccnc2)cc1C ZINC000873022587 1031692535 /nfs/dbraw/zinc/69/25/35/1031692535.db2.gz TXHJLPLTAVVKGM-UHFFFAOYSA-N 1 0 301.434 3.550 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873183921 1031745161 /nfs/dbraw/zinc/74/51/61/1031745161.db2.gz QQTJABBPMVREEI-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000873184135 1031745436 /nfs/dbraw/zinc/74/54/36/1031745436.db2.gz CXFJSVCSVLEDKG-GFCCVEGCSA-N 1 0 317.364 3.651 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000873184298 1031746277 /nfs/dbraw/zinc/74/62/77/1031746277.db2.gz KNPUJIPGDMULMH-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO Cc1cc(O)c(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(Cl)c1 ZINC000873214557 1031761405 /nfs/dbraw/zinc/76/14/05/1031761405.db2.gz HAUMUWFYUQBMDZ-XJKSGUPXSA-N 1 0 302.805 3.781 20 10 DHCDRO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)Cc1ccccc1O ZINC000845906035 1031769303 /nfs/dbraw/zinc/76/93/03/1031769303.db2.gz NCGUEIQGDFRUII-UHFFFAOYSA-N 1 0 321.424 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000845971610 1031789652 /nfs/dbraw/zinc/78/96/52/1031789652.db2.gz AKEYMYPUXQMDJS-ZDUSSCGKSA-N 1 0 311.381 3.527 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1cc2c(cc1O)CCCC2 ZINC000873288488 1031790065 /nfs/dbraw/zinc/79/00/65/1031790065.db2.gz GZZIUJGSTIIGHT-GFCCVEGCSA-N 1 0 314.404 3.843 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1O ZINC000845999491 1031801899 /nfs/dbraw/zinc/80/18/99/1031801899.db2.gz AKVCTKGZCPVTFX-IBGZPJMESA-N 1 0 315.388 3.704 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000294104608 1031802162 /nfs/dbraw/zinc/80/21/62/1031802162.db2.gz JQNIWGABRKADET-IBGZPJMESA-N 1 0 321.424 3.622 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000897727394 1031804726 /nfs/dbraw/zinc/80/47/26/1031804726.db2.gz LJJOHQSMEREDEW-DYVFJYSZSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@@H](OCC[NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000846020487 1031808234 /nfs/dbraw/zinc/80/82/34/1031808234.db2.gz ITKUSFMHWIVNPV-LJQANCHMSA-N 1 0 315.413 3.658 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(Cl)c1 ZINC000846014903 1031809034 /nfs/dbraw/zinc/80/90/34/1031809034.db2.gz UTMQKXBTBHYPMA-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000846054199 1031849439 /nfs/dbraw/zinc/84/94/39/1031849439.db2.gz GRIZRSMVTRKXAV-ARJAWSKDSA-N 1 0 306.400 3.887 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846102653 1031876878 /nfs/dbraw/zinc/87/68/78/1031876878.db2.gz PTIXIZAXOGOAIC-GFCCVEGCSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1O ZINC000846149402 1031883028 /nfs/dbraw/zinc/88/30/28/1031883028.db2.gz YXDAVSJLXRQXSL-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1O ZINC000846149324 1031884022 /nfs/dbraw/zinc/88/40/22/1031884022.db2.gz YAEJRDVHUMGCQO-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2cccs2)c1O ZINC000846147107 1031884104 /nfs/dbraw/zinc/88/41/04/1031884104.db2.gz MEDYRWROLMSEHV-MBNYWOFBSA-N 1 0 321.442 3.625 20 10 DHCDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C[C@H]1OC ZINC000846153153 1031885096 /nfs/dbraw/zinc/88/50/96/1031885096.db2.gz GRCMQNWJOVMEIG-DAXOMENPSA-N 1 0 307.434 3.645 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000897971118 1031885054 /nfs/dbraw/zinc/88/50/54/1031885054.db2.gz SXUPNQUANOGHNO-WAYWQWQTSA-N 1 0 314.473 3.703 20 10 DHCDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846156515 1031888997 /nfs/dbraw/zinc/88/89/97/1031888997.db2.gz MQHWTJVZAABPPG-CJNGLKHVSA-N 1 0 309.450 3.893 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000846161238 1031890488 /nfs/dbraw/zinc/89/04/88/1031890488.db2.gz CRSPCMCUIVSMIS-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000846161077 1031891160 /nfs/dbraw/zinc/89/11/60/1031891160.db2.gz BMLRENFUPJNGEZ-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000846161234 1031891632 /nfs/dbraw/zinc/89/16/32/1031891632.db2.gz CRSPCMCUIVSMIS-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1O ZINC000846163633 1031893335 /nfs/dbraw/zinc/89/33/35/1031893335.db2.gz CFJONHFXFOOXON-HUUCEWRRSA-N 1 0 319.445 3.933 20 10 DHCDRO CCO[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846165452 1031895546 /nfs/dbraw/zinc/89/55/46/1031895546.db2.gz MLFXHDMIFUYYSH-KSSFIOAISA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCCc2cccnc2)c1O ZINC000846169388 1031896868 /nfs/dbraw/zinc/89/68/68/1031896868.db2.gz QHROJLWNWJHEBC-CABCVRRESA-N 1 0 314.429 3.858 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC)c1O ZINC000846135587 1031901043 /nfs/dbraw/zinc/90/10/43/1031901043.db2.gz DQAUNVCQCFMOFZ-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOC2CCCCC2)c1O ZINC000846136656 1031901617 /nfs/dbraw/zinc/90/16/17/1031901617.db2.gz MRGXETBZCLVERV-CQSZACIVSA-N 1 0 307.434 3.791 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1O ZINC000846145124 1031906947 /nfs/dbraw/zinc/90/69/47/1031906947.db2.gz MXYNNDJHPOXRMM-RHSMWYFYSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1O ZINC000846145545 1031907181 /nfs/dbraw/zinc/90/71/81/1031907181.db2.gz LHYLEDWDOIVACP-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccc(F)cc2)c1O ZINC000846147098 1031907885 /nfs/dbraw/zinc/90/78/85/1031907885.db2.gz STUVGXOYWNDFQG-OLZOCXBDSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCO[C@H]2CCCC[C@@H]2C)c1O ZINC000846147576 1031910071 /nfs/dbraw/zinc/91/00/71/1031910071.db2.gz WCXFBWPFEZFKOL-DZKIICNBSA-N 1 0 307.434 3.647 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846184486 1031916263 /nfs/dbraw/zinc/91/62/63/1031916263.db2.gz SENSKZWEOKGZMQ-LXIYXOSZSA-N 1 0 303.377 3.612 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000846182188 1031917134 /nfs/dbraw/zinc/91/71/34/1031917134.db2.gz ADISXXOSFUQJDE-NZVBXONLSA-N 1 0 301.789 3.756 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000898320946 1032020381 /nfs/dbraw/zinc/02/03/81/1032020381.db2.gz OQRNYYTYXRFWNY-HZQHCPKGSA-N 1 0 307.441 3.902 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001172716086 1033322215 /nfs/dbraw/zinc/32/22/15/1033322215.db2.gz KTSCPGJJZYXDPW-INIZCTEOSA-N 1 0 301.817 3.919 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000877570642 1033362609 /nfs/dbraw/zinc/36/26/09/1033362609.db2.gz LNXJKLIHLKKBKR-ZDUSSCGKSA-N 1 0 307.315 3.895 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000877572455 1033363083 /nfs/dbraw/zinc/36/30/83/1033363083.db2.gz HDOIANYGXMMXFG-GDBMZVCRSA-N 1 0 303.427 3.772 20 10 DHCDRO COCC(C)(C)[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825986644 1033387534 /nfs/dbraw/zinc/38/75/34/1033387534.db2.gz KOIQBKAFAAQGFX-UHFFFAOYSA-N 1 0 309.450 3.555 20 10 DHCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151065819 1033411851 /nfs/dbraw/zinc/41/18/51/1033411851.db2.gz QDOZTQOUNMGJBL-HNNXBMFYSA-N 1 0 322.518 3.533 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000877699784 1033415866 /nfs/dbraw/zinc/41/58/66/1033415866.db2.gz LUCGKBWDDDJORE-LLVKDONJSA-N 1 0 312.369 3.652 20 10 DHCDRO COc1cc2c(c(C[NH2+][C@H](C)c3ccccc3O)c1)O[C@H](C)C2 ZINC000877756609 1033435019 /nfs/dbraw/zinc/43/50/19/1033435019.db2.gz XQNVZKOGZHYDSU-CHWSQXEVSA-N 1 0 313.397 3.575 20 10 DHCDRO CCN(CC)c1ncc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000877756494 1033435064 /nfs/dbraw/zinc/43/50/64/1033435064.db2.gz MJTIQKQREBRFIM-GFCCVEGCSA-N 1 0 305.447 3.546 20 10 DHCDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777147751 1033445336 /nfs/dbraw/zinc/44/53/36/1033445336.db2.gz BCHHQBNYUSXQHR-CYBMUJFWSA-N 1 0 320.864 3.770 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)C1CCC2(CCOCC2)CC1 ZINC001173050653 1033513851 /nfs/dbraw/zinc/51/38/51/1033513851.db2.gz DPNQZWOAZDXVPM-UHFFFAOYSA-N 1 0 303.446 3.954 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000777157950 1033559551 /nfs/dbraw/zinc/55/95/51/1033559551.db2.gz BZEYLGVDMONKKV-ALLBUHFWSA-N 1 0 314.473 3.832 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000153231705 1033567885 /nfs/dbraw/zinc/56/78/85/1033567885.db2.gz ZFFLWWKLGNLXSY-HNNXBMFYSA-N 1 0 303.427 3.635 20 10 DHCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1O ZINC001173234475 1033609328 /nfs/dbraw/zinc/60/93/28/1033609328.db2.gz OYXZHTIFEKZVAQ-STQMWFEESA-N 1 0 300.358 3.582 20 10 DHCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173339626 1033694561 /nfs/dbraw/zinc/69/45/61/1033694561.db2.gz PRZUWKCXVQOEQH-QAPCUYQASA-N 1 0 319.445 3.614 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000777221946 1033719356 /nfs/dbraw/zinc/71/93/56/1033719356.db2.gz OKTMAFNNTNZINM-FQEVSTJZSA-N 1 0 309.409 3.670 20 10 DHCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCCC1 ZINC000479440436 1033757718 /nfs/dbraw/zinc/75/77/18/1033757718.db2.gz SDKFNPPHLGKGND-QGZVFWFLSA-N 1 0 300.446 3.782 20 10 DHCDRO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234129 1033790115 /nfs/dbraw/zinc/79/01/15/1033790115.db2.gz HOMYHNISYGJMRO-AWEZNQCLSA-N 1 0 324.424 3.821 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cnc(C)o2)c(C)n1-c1ccccc1 ZINC000862262562 1033803919 /nfs/dbraw/zinc/80/39/19/1033803919.db2.gz AMDMDAROQJQWOE-UHFFFAOYSA-N 1 0 309.413 3.723 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCS1 ZINC000862273581 1033806670 /nfs/dbraw/zinc/80/66/70/1033806670.db2.gz LBJSGBDMBKOQKK-QGZVFWFLSA-N 1 0 322.543 3.615 20 10 DHCDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862478691 1033861998 /nfs/dbraw/zinc/86/19/98/1033861998.db2.gz MHVHGJHDCCQECC-HNNXBMFYSA-N 1 0 321.461 3.938 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000862485492 1033865962 /nfs/dbraw/zinc/86/59/62/1033865962.db2.gz NOTJSFFSEUKLAF-HOCLYGCPSA-N 1 0 319.445 3.500 20 10 DHCDRO CC[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000174502380 1033938820 /nfs/dbraw/zinc/93/88/20/1033938820.db2.gz RMZHETGUYDUNJM-KRWDZBQOSA-N 1 0 303.475 3.933 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000174648883 1033950187 /nfs/dbraw/zinc/95/01/87/1033950187.db2.gz ADVMDZZRVYRSQU-UHFFFAOYSA-N 1 0 315.388 3.635 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879648713 1034069990 /nfs/dbraw/zinc/06/99/90/1034069990.db2.gz AHQGHHZCHLWZFQ-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879647824 1034071382 /nfs/dbraw/zinc/07/13/82/1034071382.db2.gz MNOYSSSDRCQHSB-ZIAGYGMSSA-N 1 0 312.413 3.632 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000879651981 1034075087 /nfs/dbraw/zinc/07/50/87/1034075087.db2.gz RTQKCVVDSJJASA-QWHCGFSZSA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2COCc3ccccc32)cc1Cl ZINC000826131304 1034157784 /nfs/dbraw/zinc/15/77/84/1034157784.db2.gz RANIWNYCPHNMPI-MRXNPFEDSA-N 1 0 303.789 3.715 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000128145435 1034189500 /nfs/dbraw/zinc/18/95/00/1034189500.db2.gz QNHPHYMZWNCDIG-GOEBONIOSA-N 1 0 308.441 3.628 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000178228991 1034221199 /nfs/dbraw/zinc/22/11/99/1034221199.db2.gz AGUSOLNBCFSTLW-CQSZACIVSA-N 1 0 301.409 3.918 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179564658 1034314151 /nfs/dbraw/zinc/31/41/51/1034314151.db2.gz PVRHEJZZVWTRSQ-UHFFFAOYSA-N 1 0 319.351 3.714 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000179704764 1034327698 /nfs/dbraw/zinc/32/76/98/1034327698.db2.gz VOCHHDBBNHEEQD-UHFFFAOYSA-N 1 0 317.335 3.652 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@](C)(OC)C3)c2c1 ZINC000794656495 1034332325 /nfs/dbraw/zinc/33/23/25/1034332325.db2.gz MNLQFRXASGMKEZ-LJQANCHMSA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccccc1O ZINC000183596006 1034402406 /nfs/dbraw/zinc/40/24/06/1034402406.db2.gz WXMGDOPYGAUTQA-GFCCVEGCSA-N 1 0 307.340 3.887 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000183625152 1034403765 /nfs/dbraw/zinc/40/37/65/1034403765.db2.gz FHFQPYNXWPZCRA-CRAIPNDOSA-N 1 0 313.441 3.845 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644634 1034407323 /nfs/dbraw/zinc/40/73/23/1034407323.db2.gz YVVTZHDULPZLMR-MEDUHNTESA-N 1 0 307.340 3.709 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794798217 1034470402 /nfs/dbraw/zinc/47/04/02/1034470402.db2.gz UJOMGVKMJDSYIP-MRXNPFEDSA-N 1 0 300.402 3.735 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(C)cc1O ZINC000794801755 1034472372 /nfs/dbraw/zinc/47/23/72/1034472372.db2.gz KYRCLDCETOJECI-ATLSCFEFSA-N 1 0 303.446 3.945 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(C)cc1O ZINC000794806271 1034503266 /nfs/dbraw/zinc/50/32/66/1034503266.db2.gz GUBOAFPSAAYCBA-GOSISDBHSA-N 1 0 311.425 3.919 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805795 1034505859 /nfs/dbraw/zinc/50/58/59/1034505859.db2.gz YLRHAEFJPZXFCP-QGZVFWFLSA-N 1 0 303.377 3.959 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000184885094 1034507962 /nfs/dbraw/zinc/50/79/62/1034507962.db2.gz XDAJMMAFDVGKTA-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920070 1034511882 /nfs/dbraw/zinc/51/18/82/1034511882.db2.gz JHMQYLIGPKMGIB-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000184998324 1034518692 /nfs/dbraw/zinc/51/86/92/1034518692.db2.gz CRMASWQNNXTBLG-IAGOWNOFSA-N 1 0 310.441 3.878 20 10 DHCDRO CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccc(C)cc1O ZINC000794813776 1034521017 /nfs/dbraw/zinc/52/10/17/1034521017.db2.gz JRFAQQPUAIOEMF-OAHLLOKOSA-N 1 0 307.434 3.721 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C)cc1O ZINC000794814772 1034525049 /nfs/dbraw/zinc/52/50/49/1034525049.db2.gz ITZCZPNRAHJMLC-OAHLLOKOSA-N 1 0 320.820 3.869 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185143356 1034530658 /nfs/dbraw/zinc/53/06/58/1034530658.db2.gz WYSWXUSXGFCPHK-CQSZACIVSA-N 1 0 300.402 3.735 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000185151825 1034532838 /nfs/dbraw/zinc/53/28/38/1034532838.db2.gz XXEYNRUDUJBRQC-AWEZNQCLSA-N 1 0 309.413 3.860 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794824629 1034534553 /nfs/dbraw/zinc/53/45/53/1034534553.db2.gz KSKWEBYEFCFUIE-UKRRQHHQSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(C)cc1O ZINC000794819197 1034537882 /nfs/dbraw/zinc/53/78/82/1034537882.db2.gz YKIBMYDRMWZOOR-DOTOQJQBSA-N 1 0 319.445 3.817 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1F ZINC000185383041 1034546483 /nfs/dbraw/zinc/54/64/83/1034546483.db2.gz VQMRMQDKXIPPLI-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185465309 1034548567 /nfs/dbraw/zinc/54/85/67/1034548567.db2.gz XAORUZKISWOCQL-AUUYWEPGSA-N 1 0 311.425 3.655 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185501207 1034550315 /nfs/dbraw/zinc/55/03/15/1034550315.db2.gz KIAAKSXOPVQQNN-NXEZZACHSA-N 1 0 308.809 3.932 20 10 DHCDRO CC[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(C)cc1O ZINC000794829683 1034551489 /nfs/dbraw/zinc/55/14/89/1034551489.db2.gz VWSMQLKXPAYRIE-INIZCTEOSA-N 1 0 303.446 3.684 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000185468772 1034552621 /nfs/dbraw/zinc/55/26/21/1034552621.db2.gz HLSWHSGVORLDGQ-JCGVRSQUSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CCOCC1 ZINC000185783076 1034572942 /nfs/dbraw/zinc/57/29/42/1034572942.db2.gz QAKQTDVNKUEEQA-KGLIPLIRSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185783035 1034574191 /nfs/dbraw/zinc/57/41/91/1034574191.db2.gz QAKQTDVNKUEEQA-KBPBESRZSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185783097 1034574998 /nfs/dbraw/zinc/57/49/98/1034574998.db2.gz QAKQTDVNKUEEQA-ZIAGYGMSSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185834827 1034576668 /nfs/dbraw/zinc/57/66/68/1034576668.db2.gz NNIZGKJCDQRVSZ-ZJNRKIDTSA-N 1 0 303.377 3.694 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794836062 1034591615 /nfs/dbraw/zinc/59/16/15/1034591615.db2.gz RTUXABDDCJCAED-LPHOPBHVSA-N 1 0 316.489 3.879 20 10 DHCDRO COCCC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186134358 1034602286 /nfs/dbraw/zinc/60/22/86/1034602286.db2.gz JSFCBUWNRAUFFA-AWEZNQCLSA-N 1 0 303.446 3.738 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000186199119 1034610757 /nfs/dbraw/zinc/61/07/57/1034610757.db2.gz QRESQSDNKGCHEC-GFCCVEGCSA-N 1 0 322.355 3.590 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2c(O)cccc2Cl)c(C)n1 ZINC000773409727 1034617996 /nfs/dbraw/zinc/61/79/96/1034617996.db2.gz NGGMNROVVQRZHD-UHFFFAOYSA-N 1 0 307.825 3.640 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ncc(C)s2)c1 ZINC000186769980 1034661192 /nfs/dbraw/zinc/66/11/92/1034661192.db2.gz UGGRPFTZGHIIJW-JQWIXIFHSA-N 1 0 306.431 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(Cl)c1 ZINC001175419215 1034975112 /nfs/dbraw/zinc/97/51/12/1034975112.db2.gz TYKRBLFPYCIJHK-RYUDHWBXSA-N 1 0 318.804 3.723 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001175427820 1034978623 /nfs/dbraw/zinc/97/86/23/1034978623.db2.gz TVLIBNNYNLOHFF-NSHDSACASA-N 1 0 309.768 3.914 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194415527 1035138048 /nfs/dbraw/zinc/13/80/48/1035138048.db2.gz JJEMEDMKUZEBHW-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000160579136 1035209662 /nfs/dbraw/zinc/20/96/62/1035209662.db2.gz UFWYNXKQDDWIPI-GDBMZVCRSA-N 1 0 323.440 3.529 20 10 DHCDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176916107 1035339075 /nfs/dbraw/zinc/33/90/75/1035339075.db2.gz SYRWGEOIHSGVPI-MOPGFXCFSA-N 1 0 302.462 3.595 20 10 DHCDRO Cc1cccc(OCC[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001177112902 1035351273 /nfs/dbraw/zinc/35/12/73/1035351273.db2.gz ZTKHZTINVOCLHK-UHFFFAOYSA-N 1 0 305.805 3.831 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)CN2CCC[C@H](C)C2)cc1C ZINC001177476191 1035371286 /nfs/dbraw/zinc/37/12/86/1035371286.db2.gz YXAQIHRHEYPHBL-FUHWJXTLSA-N 1 0 318.505 3.994 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]CCN2CCC2)c(O)c(C(C)(C)C)c1 ZINC001178268052 1035419945 /nfs/dbraw/zinc/41/99/45/1035419945.db2.gz WKJXJDRDFZTODR-UHFFFAOYSA-N 1 0 318.505 3.783 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000773773477 1035449586 /nfs/dbraw/zinc/44/95/86/1035449586.db2.gz MGEHEYBRXMRDKV-UHFFFAOYSA-N 1 0 303.475 3.933 20 10 DHCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179082399 1035464558 /nfs/dbraw/zinc/46/45/58/1035464558.db2.gz YICSWRDDOUIDQX-DYVFJYSZSA-N 1 0 323.477 3.585 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000773813741 1035479392 /nfs/dbraw/zinc/47/93/92/1035479392.db2.gz VZSVRAHOFFUCTA-SFHVURJKSA-N 1 0 314.477 3.753 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccccc1O ZINC001179489497 1035480310 /nfs/dbraw/zinc/48/03/10/1035480310.db2.gz QDPFQKSAIBHELS-LBPRGKRZSA-N 1 0 313.426 3.705 20 10 DHCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC001179673481 1035491684 /nfs/dbraw/zinc/49/16/84/1035491684.db2.gz FUVQLQGEATYRHG-FQEVSTJZSA-N 1 0 316.489 3.708 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)cc1C ZINC001179666425 1035492502 /nfs/dbraw/zinc/49/25/02/1035492502.db2.gz RJJYFNYYPPCSPL-FQEVSTJZSA-N 1 0 311.425 3.797 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000773822824 1035494636 /nfs/dbraw/zinc/49/46/36/1035494636.db2.gz SKTAHQHTJRAREU-SFHVURJKSA-N 1 0 312.461 3.820 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905677699 1035613416 /nfs/dbraw/zinc/61/34/16/1035613416.db2.gz JPYDGHHYXKTXJK-AWEZNQCLSA-N 1 0 317.326 3.875 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC001180430599 1035670773 /nfs/dbraw/zinc/67/07/73/1035670773.db2.gz OXGYBJXYIJKICO-FUHWJXTLSA-N 1 0 305.462 3.745 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)CC(C)(C)CC(=O)OCC ZINC001181185000 1035858376 /nfs/dbraw/zinc/85/83/76/1035858376.db2.gz MWSLZTUYZCVNNN-UHFFFAOYSA-N 1 0 321.461 3.974 20 10 DHCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001181361303 1035899490 /nfs/dbraw/zinc/89/94/90/1035899490.db2.gz OKTUSLWWOKLLGX-KRWDZBQOSA-N 1 0 319.832 3.895 20 10 DHCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001181526227 1035934713 /nfs/dbraw/zinc/93/47/13/1035934713.db2.gz VKYNBMIHMBVCCT-UONOGXRCSA-N 1 0 309.837 3.684 20 10 DHCDRO CO[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)Cc1ccccc1 ZINC001181900212 1036039248 /nfs/dbraw/zinc/03/92/48/1036039248.db2.gz AYQVUZGUMZQRAH-IBGZPJMESA-N 1 0 313.441 3.863 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2scnc2C)cc1F ZINC000152196098 1036239889 /nfs/dbraw/zinc/23/98/89/1036239889.db2.gz DDVGZHGXJMFBDC-UHFFFAOYSA-N 1 0 307.438 3.727 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])ncn1 ZINC000774266030 1036266647 /nfs/dbraw/zinc/26/66/47/1036266647.db2.gz MYJOREZWJCZIDW-VIFPVBQESA-N 1 0 312.200 3.648 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC001182387045 1036269776 /nfs/dbraw/zinc/26/97/76/1036269776.db2.gz AOHRXMXGRXRIER-RDBSUJKOSA-N 1 0 307.434 3.714 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774379366 1036308111 /nfs/dbraw/zinc/30/81/11/1036308111.db2.gz OMPHMSHZAAHGKM-UXHICEINSA-N 1 0 315.505 3.810 20 10 DHCDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774356065 1036313674 /nfs/dbraw/zinc/31/36/74/1036313674.db2.gz MRKGCQUYXWJUQX-JTQLQIEISA-N 1 0 318.244 3.902 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)C2CCCCCCC2)cc1OC ZINC000775668773 1036319758 /nfs/dbraw/zinc/31/97/58/1036319758.db2.gz KRSWUIDMVMNMSK-UHFFFAOYSA-N 1 0 307.434 3.954 20 10 DHCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000775678262 1036408909 /nfs/dbraw/zinc/40/89/09/1036408909.db2.gz YPYGGUYWSYNCIQ-AWEZNQCLSA-N 1 0 310.235 3.838 20 10 DHCDRO COc1ccc(SCC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC001182685301 1036423184 /nfs/dbraw/zinc/42/31/84/1036423184.db2.gz QVMKJMUHINWXCQ-UHFFFAOYSA-N 1 0 323.845 3.936 20 10 DHCDRO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206540471 1036438253 /nfs/dbraw/zinc/43/82/53/1036438253.db2.gz BSAOHSQYMJKPJX-HNNXBMFYSA-N 1 0 317.260 3.650 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000775690157 1036465747 /nfs/dbraw/zinc/46/57/47/1036465747.db2.gz JYDVVCFXGLYJFH-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000775692049 1036469240 /nfs/dbraw/zinc/46/92/40/1036469240.db2.gz KPLLKLMKQZJXEU-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000775697772 1036472220 /nfs/dbraw/zinc/47/22/20/1036472220.db2.gz GHCUUKPWUDYXKH-HNNXBMFYSA-N 1 0 315.388 3.605 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)c1ccccc1O ZINC001197004785 1036667429 /nfs/dbraw/zinc/66/74/29/1036667429.db2.gz VVIUEDKRCKKHNP-BEFAXECRSA-N 1 0 321.420 3.800 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]12 ZINC000915208381 1036705906 /nfs/dbraw/zinc/70/59/06/1036705906.db2.gz GCBDKQPHDXYMLU-YUELXQCFSA-N 1 0 303.402 3.522 20 10 DHCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)N(C)C)cc1 ZINC001184219516 1036774149 /nfs/dbraw/zinc/77/41/49/1036774149.db2.gz WCJGVPVNUIQQQY-KCUHQSDYSA-N 1 0 315.505 3.524 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1O ZINC001184250601 1036785884 /nfs/dbraw/zinc/78/58/84/1036785884.db2.gz GBVVHLLGQPDWDF-LEWSCRJBSA-N 1 0 310.235 3.741 20 10 DHCDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc(N(C)C)cc1 ZINC000775833526 1036984344 /nfs/dbraw/zinc/98/43/44/1036984344.db2.gz CNMBGBRLRDMLAY-OAHLLOKOSA-N 1 0 322.456 3.533 20 10 DHCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833820 1036987964 /nfs/dbraw/zinc/98/79/64/1036987964.db2.gz MVYGMWVDJUXYTH-CHWSQXEVSA-N 1 0 316.401 3.544 20 10 DHCDRO CCc1nc(C)c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001203244173 1037143195 /nfs/dbraw/zinc/14/31/95/1037143195.db2.gz SVTBSMLBTGRFEQ-UHFFFAOYSA-N 1 0 312.461 3.513 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001203934141 1037250719 /nfs/dbraw/zinc/25/07/19/1037250719.db2.gz OBXULMPVRBOJRA-HXUWFJFHSA-N 1 0 310.441 3.544 20 10 DHCDRO COc1ccc(C[NH+]2CCC(c3cccs3)CC2)c(O)c1 ZINC001203627938 1037252131 /nfs/dbraw/zinc/25/21/31/1037252131.db2.gz SKLVAPULSZDPOO-UHFFFAOYSA-N 1 0 303.427 3.842 20 10 DHCDRO Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(C2CCC2)n1 ZINC001186079319 1037302001 /nfs/dbraw/zinc/30/20/01/1037302001.db2.gz IQABUCBTYFLVBN-LLVKDONJSA-N 1 0 313.401 3.507 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000776010150 1037305007 /nfs/dbraw/zinc/30/50/07/1037305007.db2.gz MMBIMOVNXVGLFD-MRXNPFEDSA-N 1 0 311.425 3.992 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000776013867 1037306953 /nfs/dbraw/zinc/30/69/53/1037306953.db2.gz JOQFIEJVXJRRJJ-FQEVSTJZSA-N 1 0 309.409 3.722 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000776094570 1037426927 /nfs/dbraw/zinc/42/69/27/1037426927.db2.gz QSQMGXYKJHWINA-UHFFFAOYSA-N 1 0 313.788 3.521 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1F ZINC001200971320 1037480776 /nfs/dbraw/zinc/48/07/76/1037480776.db2.gz JYQFDKJMFGPDLT-WDYCEAGBSA-N 1 0 320.452 3.719 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC(C)(C)[C@H]3C)c2c1 ZINC000763213907 1037488836 /nfs/dbraw/zinc/48/88/36/1037488836.db2.gz VVXPKRQZEOBABP-CYBMUJFWSA-N 1 0 315.413 3.553 20 10 DHCDRO COc1c([O-])c(C[NH2+]CC2(C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000775053496 1037501175 /nfs/dbraw/zinc/50/11/75/1037501175.db2.gz ZGKDBHWABGHBRC-UHFFFAOYSA-N 1 0 322.405 3.759 20 10 DHCDRO CC(C)C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000105856677 1037558827 /nfs/dbraw/zinc/55/88/27/1037558827.db2.gz RZCAHEQCOYXMKM-FQEVSTJZSA-N 1 0 317.521 3.743 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717002493 1037570615 /nfs/dbraw/zinc/57/06/15/1037570615.db2.gz QSEVMHUHLOIOIG-SRVKXCTJSA-N 1 0 310.235 3.681 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717002488 1037571286 /nfs/dbraw/zinc/57/12/86/1037571286.db2.gz QSEVMHUHLOIOIG-QJPTWQEYSA-N 1 0 310.235 3.681 20 10 DHCDRO COc1ccc(C[NH2+]C(C(C)C)C(C)C)cc1Cn1cccn1 ZINC001201339384 1037617782 /nfs/dbraw/zinc/61/77/82/1037617782.db2.gz XWFCEAAZGCDTCT-UHFFFAOYSA-N 1 0 315.461 3.710 20 10 DHCDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000775130563 1037657176 /nfs/dbraw/zinc/65/71/76/1037657176.db2.gz LYFSTHLOKHVEGA-JTQLQIEISA-N 1 0 306.749 3.805 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000776166516 1037664609 /nfs/dbraw/zinc/66/46/09/1037664609.db2.gz AVZLISCMRVFLGE-HXUWFJFHSA-N 1 0 312.457 3.528 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cc1 ZINC000776167799 1037666377 /nfs/dbraw/zinc/66/63/77/1037666377.db2.gz OARWDCYOLDMDCU-IRXDYDNUSA-N 1 0 318.505 3.982 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000776168850 1037671979 /nfs/dbraw/zinc/67/19/79/1037671979.db2.gz RTYUVEIBIOPJNE-VQIMIIECSA-N 1 0 318.505 3.982 20 10 DHCDRO CCCN(Cc1cccc(Cl)c1O)c1ccc(C[NH3+])cc1 ZINC000775140213 1037704291 /nfs/dbraw/zinc/70/42/91/1037704291.db2.gz KVKIYJFVEZILJO-UHFFFAOYSA-N 1 0 304.821 3.921 20 10 DHCDRO Cc1ccsc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201683882 1037857951 /nfs/dbraw/zinc/85/79/51/1037857951.db2.gz BEHCFBUQOHDKKR-UHFFFAOYSA-N 1 0 300.471 3.989 20 10 DHCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000775203038 1038001348 /nfs/dbraw/zinc/00/13/48/1038001348.db2.gz JANIWIJMVTWKHK-GOSISDBHSA-N 1 0 307.434 3.572 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000156348127 1038045661 /nfs/dbraw/zinc/04/56/61/1038045661.db2.gz ZEHKRGDSYQTCGU-QGZVFWFLSA-N 1 0 314.477 3.697 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000776254993 1038072888 /nfs/dbraw/zinc/07/28/88/1038072888.db2.gz RXGWTBPCIIKEBC-UHFFFAOYSA-N 1 0 303.837 3.871 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)CCc2ccc(F)cc2)c1O ZINC000164201216 1038103708 /nfs/dbraw/zinc/10/37/08/1038103708.db2.gz REKZDZXWMFGWHU-UHFFFAOYSA-N 1 0 303.377 3.523 20 10 DHCDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000164309876 1038155665 /nfs/dbraw/zinc/15/56/65/1038155665.db2.gz DALBJUXZGQQDCS-CQSZACIVSA-N 1 0 321.461 3.557 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000917074007 1038161701 /nfs/dbraw/zinc/16/17/01/1038161701.db2.gz MTKRPPAYAPFTHE-CYBMUJFWSA-N 1 0 313.272 3.911 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000775365819 1038279067 /nfs/dbraw/zinc/27/90/67/1038279067.db2.gz XUWOCJXGCANCIG-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000775373294 1038295066 /nfs/dbraw/zinc/29/50/66/1038295066.db2.gz BPMRQGAQKDYIEM-MRXNPFEDSA-N 1 0 313.825 3.503 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000157040213 1038488278 /nfs/dbraw/zinc/48/82/78/1038488278.db2.gz OCVYBWOVVBYDIR-HOCLYGCPSA-N 1 0 305.418 3.509 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)ccc1O ZINC000775489900 1038564493 /nfs/dbraw/zinc/56/44/93/1038564493.db2.gz TXWQFUBIFZMQDZ-ZDUSSCGKSA-N 1 0 321.833 3.996 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1cc(Cl)ccc1O ZINC000775493302 1038575889 /nfs/dbraw/zinc/57/58/89/1038575889.db2.gz XABMPBRSQFPRJM-CQSZACIVSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1ccccc1O ZINC000775497753 1038581789 /nfs/dbraw/zinc/58/17/89/1038581789.db2.gz DSYSLBDWKKFHBV-MRXNPFEDSA-N 1 0 315.413 3.911 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775499641 1038582207 /nfs/dbraw/zinc/58/22/07/1038582207.db2.gz LJVWVJJENWXGDM-OAHLLOKOSA-N 1 0 307.825 3.637 20 10 DHCDRO COc1ccc(N2CC[NH+](CC3CC4(CCC4)C3)CC2)cc1F ZINC001192108589 1038590218 /nfs/dbraw/zinc/59/02/18/1038590218.db2.gz YMJKQFSRYXRJKW-UHFFFAOYSA-N 1 0 318.436 3.537 20 10 DHCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000775512304 1038604746 /nfs/dbraw/zinc/60/47/46/1038604746.db2.gz IXUPVSHEZIDLJC-SZMVWBNQSA-N 1 0 317.816 3.745 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775514245 1038604759 /nfs/dbraw/zinc/60/47/59/1038604759.db2.gz STNKKCVBHQQZQS-LRDDRELGSA-N 1 0 323.820 3.531 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000775522716 1038633479 /nfs/dbraw/zinc/63/34/79/1038633479.db2.gz YMVCSTBJLBIRHV-ZIAGYGMSSA-N 1 0 305.809 3.887 20 10 DHCDRO CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)c1ccccc1O ZINC000775526849 1038645973 /nfs/dbraw/zinc/64/59/73/1038645973.db2.gz MECQRXVFYCOPTB-GOSISDBHSA-N 1 0 315.413 3.911 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000780528935 1038943265 /nfs/dbraw/zinc/94/32/65/1038943265.db2.gz ZKWWUYAAZYGDOL-RHSMWYFYSA-N 1 0 315.388 3.966 20 10 DHCDRO Oc1ccccc1C[N@H+](CCc1cccnc1)Cc1ccco1 ZINC000172164030 1039759203 /nfs/dbraw/zinc/75/92/03/1039759203.db2.gz ABWZCPBJDDJKJC-UHFFFAOYSA-N 1 0 308.381 3.625 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169149120 1040325107 /nfs/dbraw/zinc/32/51/07/1040325107.db2.gz JOGXUMJWFSBMNY-PMACEKPBSA-N 1 0 312.457 3.701 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169149280 1040325637 /nfs/dbraw/zinc/32/56/37/1040325637.db2.gz JOGXUMJWFSBMNY-VQTJNVASSA-N 1 0 312.457 3.701 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000227711824 1040366473 /nfs/dbraw/zinc/36/64/73/1040366473.db2.gz MFRUPLURYUZHMO-DZGCQCFKSA-N 1 0 322.449 3.736 20 10 DHCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000174621181 1040790288 /nfs/dbraw/zinc/79/02/88/1040790288.db2.gz AESGIGIVOKHBTP-CQSZACIVSA-N 1 0 310.388 3.789 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000079443618 185172032 /nfs/dbraw/zinc/17/20/32/185172032.db2.gz CGLHBFNWILFCFP-MRXNPFEDSA-N 1 0 322.405 3.605 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000092758497 185338774 /nfs/dbraw/zinc/33/87/74/185338774.db2.gz JUGPEPWEDKQGJN-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271552622 129933895 /nfs/dbraw/zinc/93/38/95/129933895.db2.gz WDDHSWADTILOHH-CYBMUJFWSA-N 1 0 316.424 3.698 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCSC1 ZINC000273227477 130099022 /nfs/dbraw/zinc/09/90/22/130099022.db2.gz WIIPKHRUQNKXDL-INIZCTEOSA-N 1 0 315.438 3.566 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273453852 130123632 /nfs/dbraw/zinc/12/36/32/130123632.db2.gz GPARVZVITHOOMM-CQSZACIVSA-N 1 0 303.446 3.738 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000273503412 130129779 /nfs/dbraw/zinc/12/97/79/130129779.db2.gz QNLIKTHCIUQVJF-AHIWAGSCSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1O ZINC000273515537 130130407 /nfs/dbraw/zinc/13/04/07/130130407.db2.gz SNAOSQWFAQVIJL-YVEFUNNKSA-N 1 0 307.397 3.997 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273563039 130137597 /nfs/dbraw/zinc/13/75/97/130137597.db2.gz ISEUGNVRSCYXPA-DOMZBBRYSA-N 1 0 301.434 3.501 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273595103 130141583 /nfs/dbraw/zinc/14/15/83/130141583.db2.gz QHKCAWDUFDOWLM-WCQYABFASA-N 1 0 302.418 3.896 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2O)o1 ZINC000273591947 130142561 /nfs/dbraw/zinc/14/25/61/130142561.db2.gz PNMUSEUQCYDHKO-DYVFJYSZSA-N 1 0 311.381 3.831 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1 ZINC000284297341 131067415 /nfs/dbraw/zinc/06/74/15/131067415.db2.gz YMDTZEOXXMHDKS-GUYCJALGSA-N 1 0 305.443 3.629 20 10 DHCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000285651078 131190008 /nfs/dbraw/zinc/19/00/08/131190008.db2.gz YLWSJGHCVTUNBK-MAUKXSAKSA-N 1 0 311.425 3.821 20 10 DHCDRO Cc1cccc2oc(CC[NH2+][C@@H]3CCc4cccc(O)c43)nc21 ZINC000297725639 132030731 /nfs/dbraw/zinc/03/07/31/132030731.db2.gz NKCPYNSKUGIOQG-CQSZACIVSA-N 1 0 308.381 3.661 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000297861676 132037705 /nfs/dbraw/zinc/03/77/05/132037705.db2.gz UEHBYKVZNVMTDU-HUUCEWRRSA-N 1 0 301.386 3.512 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C2CC2)c1O ZINC000179688588 333154433 /nfs/dbraw/zinc/15/44/33/333154433.db2.gz DGEUFQQOBMUMOC-GOSISDBHSA-N 1 0 313.372 3.975 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000185398148 333208131 /nfs/dbraw/zinc/20/81/31/333208131.db2.gz ZDWFCVXHRVSQOT-LBPRGKRZSA-N 1 0 304.365 3.566 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1C ZINC000295137152 335132344 /nfs/dbraw/zinc/13/23/44/335132344.db2.gz PJZDKCPQZZFWHV-UHFFFAOYSA-N 1 0 303.446 3.526 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000184673398 333363813 /nfs/dbraw/zinc/36/38/13/333363813.db2.gz VZKFYUINZBYEBR-SNVBAGLBSA-N 1 0 323.742 3.829 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295973589 335138952 /nfs/dbraw/zinc/13/89/52/335138952.db2.gz JLUSHRHMTHNTDU-QGZVFWFLSA-N 1 0 319.470 3.920 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c(O)c1 ZINC000320209614 333453316 /nfs/dbraw/zinc/45/33/16/333453316.db2.gz JBQXDNYEUAHKRI-CQSZACIVSA-N 1 0 307.397 3.942 20 10 DHCDRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297131654 335148653 /nfs/dbraw/zinc/14/86/53/335148653.db2.gz YZZVZAIBDZTFDP-BMGDILEWSA-N 1 0 311.425 3.524 20 10 DHCDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)[nH]1 ZINC000273466289 334047634 /nfs/dbraw/zinc/04/76/34/334047634.db2.gz IWYFDHZBBPMVQM-VXGBXAGGSA-N 1 0 310.401 3.638 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000277404875 334088215 /nfs/dbraw/zinc/08/82/15/334088215.db2.gz IAGYCBVTCYYYME-UHFFFAOYSA-N 1 0 306.406 3.676 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000285414410 334147720 /nfs/dbraw/zinc/14/77/20/334147720.db2.gz XXVSVYRJUNGNMJ-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000295925055 334228582 /nfs/dbraw/zinc/22/85/82/334228582.db2.gz FGIANTKVXDEOKF-QGZVFWFLSA-N 1 0 319.351 3.846 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000355110318 336495069 /nfs/dbraw/zinc/49/50/69/336495069.db2.gz GGYSEAAWFABCHA-UHFFFAOYSA-N 1 0 310.445 3.728 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3cccc(F)c3O[C@H]2C)c1O ZINC000360348247 336709379 /nfs/dbraw/zinc/70/93/79/336709379.db2.gz XBHGASWCSXQEKR-MEDUHNTESA-N 1 0 317.360 3.542 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000368483846 336845815 /nfs/dbraw/zinc/84/58/15/336845815.db2.gz VEJXRUOABFLJHG-DINDLPBHSA-N 1 0 317.360 3.713 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000372927010 336943209 /nfs/dbraw/zinc/94/32/09/336943209.db2.gz KHZKTXAZLZXQEW-UONOGXRCSA-N 1 0 323.396 3.724 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000373370267 336958209 /nfs/dbraw/zinc/95/82/09/336958209.db2.gz POWKBAYIPGBFCF-IRXDYDNUSA-N 1 0 309.837 3.649 20 10 DHCDRO Cc1cc(C)nc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000375700201 337017015 /nfs/dbraw/zinc/01/70/15/337017015.db2.gz DKWBEFOMLIZEPA-UHFFFAOYSA-N 1 0 324.472 3.539 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000376310030 337031100 /nfs/dbraw/zinc/03/11/00/337031100.db2.gz XIIWMVZCOINEGF-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1cc(Cl)ccc1O ZINC000376952907 337044065 /nfs/dbraw/zinc/04/40/65/337044065.db2.gz BVKDNUXEFZQFQA-NVGCLXPQSA-N 1 0 317.816 3.917 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cccc(Cl)c32)c1 ZINC000377883748 337063344 /nfs/dbraw/zinc/06/33/44/337063344.db2.gz KVWYFUPPTQLBCI-YGRLFVJLSA-N 1 0 319.788 3.839 20 10 DHCDRO Cc1cnc([C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)s1 ZINC000378352642 337070873 /nfs/dbraw/zinc/07/08/73/337070873.db2.gz YVVRJXABIIABNT-AWEZNQCLSA-N 1 0 302.443 3.845 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH2+]Cc1ncoc1-c1ccccc1 ZINC000378449595 337073125 /nfs/dbraw/zinc/07/31/25/337073125.db2.gz GHQQHXXIKXCYSJ-UHFFFAOYSA-N 1 0 314.772 3.990 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000180581076 337176484 /nfs/dbraw/zinc/17/64/84/337176484.db2.gz RBYUVJNMQKMOPY-UHFFFAOYSA-N 1 0 319.445 3.572 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1O ZINC000180581029 337176574 /nfs/dbraw/zinc/17/65/74/337176574.db2.gz RJQUIGDXPADDOD-UHFFFAOYSA-N 1 0 303.446 3.872 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339180 337191410 /nfs/dbraw/zinc/19/14/10/337191410.db2.gz DLODATFYCJUOHX-RHSMWYFYSA-N 1 0 322.412 3.775 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1-n1cccn1 ZINC000183559686 337192260 /nfs/dbraw/zinc/19/22/60/337192260.db2.gz BOFTZZAABMILBJ-CABCVRRESA-N 1 0 307.397 3.990 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1cc(F)ccc1O ZINC000185693195 337250244 /nfs/dbraw/zinc/25/02/44/337250244.db2.gz VTYMRMQFMMMUJF-GFCCVEGCSA-N 1 0 320.433 3.912 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1O ZINC000188951544 337276892 /nfs/dbraw/zinc/27/68/92/337276892.db2.gz WGWVRUZGGULIKR-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527772443 337762640 /nfs/dbraw/zinc/76/26/40/337762640.db2.gz MQPWSGQFXMFSKA-IBGZPJMESA-N 1 0 312.413 3.817 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527872988 337770800 /nfs/dbraw/zinc/77/08/00/337770800.db2.gz ZOMPDIMOWXVMTC-INIZCTEOSA-N 1 0 321.779 3.970 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c(O)c1 ZINC000527952699 337774140 /nfs/dbraw/zinc/77/41/40/337774140.db2.gz VFMYTIWHYIDBFC-DOTOQJQBSA-N 1 0 302.462 3.758 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)OC)c1 ZINC000527923406 337775239 /nfs/dbraw/zinc/77/52/39/337775239.db2.gz CYKIBGHXPVKWTO-IFXJQAMLSA-N 1 0 315.413 3.748 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(C)cc1O ZINC000527960566 337780115 /nfs/dbraw/zinc/78/01/15/337780115.db2.gz CDYUSKSLBSVUSO-KRWDZBQOSA-N 1 0 309.413 3.828 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194415539 338526105 /nfs/dbraw/zinc/52/61/05/338526105.db2.gz JJEMEDMKUZEBHW-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO COc1cc(C)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c(C)n1 ZINC000475192645 339440831 /nfs/dbraw/zinc/44/08/31/339440831.db2.gz RWHJNHWYJANCLT-UHFFFAOYSA-N 1 0 323.440 3.797 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000475197146 339441143 /nfs/dbraw/zinc/44/11/43/339441143.db2.gz LRJPSOXGWRFRME-KXBFYZLASA-N 1 0 300.446 3.780 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C2CC2)cn1 ZINC000528041982 518160993 /nfs/dbraw/zinc/16/09/93/518160993.db2.gz BVIOEQJWISORRD-DNVCBOLYSA-N 1 0 310.397 3.524 20 10 DHCDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000236808504 518857970 /nfs/dbraw/zinc/85/79/70/518857970.db2.gz JZWHLMBGRRYNIK-UHFFFAOYSA-N 1 0 313.397 3.637 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000155950865 520288619 /nfs/dbraw/zinc/28/86/19/520288619.db2.gz CKNQMKKOEMDPHL-ZDUSSCGKSA-N 1 0 301.434 3.641 20 10 DHCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179304 520636862 /nfs/dbraw/zinc/63/68/62/520636862.db2.gz RZULGWVDCYQGTM-STQMWFEESA-N 1 0 314.420 3.832 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000191126371 522211499 /nfs/dbraw/zinc/21/14/99/522211499.db2.gz QFQIUQCEPCADKY-KRWDZBQOSA-N 1 0 300.377 3.505 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000155865415 522735896 /nfs/dbraw/zinc/73/58/96/522735896.db2.gz FQUJIFFMWYXOOK-PUECVXPYSA-N 1 0 303.377 3.694 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000366418500 522864440 /nfs/dbraw/zinc/86/44/40/522864440.db2.gz NAZSBQYDJGJFIG-RHSMWYFYSA-N 1 0 324.424 3.867 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000186009468 524765573 /nfs/dbraw/zinc/76/55/73/524765573.db2.gz DJCJOLDBFWMPHX-BDJLRTHQSA-N 1 0 317.360 3.714 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000129902319 524844000 /nfs/dbraw/zinc/84/40/00/524844000.db2.gz GBCBRKOHUUHCCL-YVEFUNNKSA-N 1 0 305.805 3.647 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000184918036 525360358 /nfs/dbraw/zinc/36/03/58/525360358.db2.gz FIHJVRVJCHBOJA-SJKOYZFVSA-N 1 0 305.805 3.738 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1O ZINC000182403173 525431230 /nfs/dbraw/zinc/43/12/30/525431230.db2.gz ZSXAPBCULUATOU-NSHDSACASA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185122402 525592749 /nfs/dbraw/zinc/59/27/49/525592749.db2.gz LCCIKBYBRYGDGU-SKOKVVANSA-N 1 0 323.436 3.580 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180257699 526348587 /nfs/dbraw/zinc/34/85/87/526348587.db2.gz SAVNRMAIKCAMNX-GOEBONIOSA-N 1 0 321.417 3.681 20 10 DHCDRO c1ccc2c(NCc3ccc(N4CCOCC4)cc3)cc[nH+]c2c1 ZINC000264714344 526515486 /nfs/dbraw/zinc/51/54/86/526515486.db2.gz UDXWBOCBYBNLNS-UHFFFAOYSA-N 1 0 319.408 3.684 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(F)ccc1O)CCC2 ZINC000180148832 527106519 /nfs/dbraw/zinc/10/65/19/527106519.db2.gz ZGJYFEOGNHDJKO-AWEZNQCLSA-N 1 0 306.406 3.806 20 10 DHCDRO COCC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421316 536809453 /nfs/dbraw/zinc/80/94/53/536809453.db2.gz JIWYFCCHXKOVAE-CZUORRHYSA-N 1 0 319.401 3.731 20 10 DHCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000296044740 1013198388 /nfs/dbraw/zinc/19/83/88/1013198388.db2.gz UQFXMSQMVZVBOH-KBPBESRZSA-N 1 0 313.445 3.899 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)cc1 ZINC000155149919 1013244166 /nfs/dbraw/zinc/24/41/66/1013244166.db2.gz XZZWJJBYGYMZNT-QGZVFWFLSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1O ZINC000894461915 1013378731 /nfs/dbraw/zinc/37/87/31/1013378731.db2.gz LZHIOFVPBPABDI-WMLDXEAASA-N 1 0 312.413 3.687 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000894502406 1013399165 /nfs/dbraw/zinc/39/91/65/1013399165.db2.gz RGNJSPVAUKFGNP-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2C)c(O)c1OC ZINC000894580342 1013425481 /nfs/dbraw/zinc/42/54/81/1013425481.db2.gz DTZARUGULLRHIL-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894783569 1013489248 /nfs/dbraw/zinc/48/92/48/1013489248.db2.gz VSQSSEZDWHGHDB-CYBMUJFWSA-N 1 0 312.413 3.610 20 10 DHCDRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCSc1nccs1 ZINC000925101313 1013739378 /nfs/dbraw/zinc/73/93/78/1013739378.db2.gz GVBYLLFTDRARNM-LLVKDONJSA-N 1 0 309.460 3.589 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000160330783 1013855033 /nfs/dbraw/zinc/85/50/33/1013855033.db2.gz CENDEFLFVYRMKG-UHFFFAOYSA-N 1 0 321.424 3.985 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1OC(F)F ZINC000083551648 1013985770 /nfs/dbraw/zinc/98/57/70/1013985770.db2.gz DVWDZOYZHNEGHU-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1F ZINC000160501335 1014138483 /nfs/dbraw/zinc/13/84/83/1014138483.db2.gz MIIFYJMPZCDTGL-HNNXBMFYSA-N 1 0 308.441 3.719 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1C ZINC000398178129 1014314254 /nfs/dbraw/zinc/31/42/54/1014314254.db2.gz GWBVIQIFMJWJDD-FXAWDEMLSA-N 1 0 324.468 3.756 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000760040930 1014373109 /nfs/dbraw/zinc/37/31/09/1014373109.db2.gz MXFZPCAKLJBMAZ-RDTXWAMCSA-N 1 0 318.436 3.646 20 10 DHCDRO C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000320701247 1014468847 /nfs/dbraw/zinc/46/88/47/1014468847.db2.gz IKGCGYAYSZLHHH-ZDUSSCGKSA-N 1 0 318.392 3.645 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000706858342 1014655043 /nfs/dbraw/zinc/65/50/43/1014655043.db2.gz UGYWRAMDFGSGPU-UTUOFQBUSA-N 1 0 310.235 3.681 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000296031297 1014666439 /nfs/dbraw/zinc/66/64/39/1014666439.db2.gz QDIVGKCGGAALBC-LBPRGKRZSA-N 1 0 324.243 3.993 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccccc1F ZINC000706884870 1014702576 /nfs/dbraw/zinc/70/25/76/1014702576.db2.gz KLHOPBXOEIVVAO-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772956694 1032108355 /nfs/dbraw/zinc/10/83/55/1032108355.db2.gz WUQRCVMPCREYIL-GOEBONIOSA-N 1 0 308.441 3.892 20 10 DHCDRO CCOCC[N@H+](CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754726717 1015116489 /nfs/dbraw/zinc/11/64/89/1015116489.db2.gz VFVBHEDGWWGRGX-UHFFFAOYSA-N 1 0 309.450 3.557 20 10 DHCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000754739936 1015193369 /nfs/dbraw/zinc/19/33/69/1015193369.db2.gz HDDWNEAPRXVUJY-UHFFFAOYSA-N 1 0 319.445 3.564 20 10 DHCDRO COc1cc(C[N@H+](C)CCOCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754739827 1015195175 /nfs/dbraw/zinc/19/51/75/1015195175.db2.gz PYRXSKZZXKPDHD-UHFFFAOYSA-N 1 0 321.461 3.557 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c(O)c1OC ZINC000891618106 1015448617 /nfs/dbraw/zinc/44/86/17/1015448617.db2.gz NJUIDWHAQTUQQJ-CQSZACIVSA-N 1 0 319.426 3.808 20 10 DHCDRO COc1ccc(C[N@H+](C2CC2)C2CCCCC2)c(O)c1OC ZINC000891625678 1015464927 /nfs/dbraw/zinc/46/49/27/1015464927.db2.gz PQVKZLXLIMUYCP-UHFFFAOYSA-N 1 0 305.418 3.707 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896228123 1015512973 /nfs/dbraw/zinc/51/29/73/1015512973.db2.gz QJAWCYAMMHZXQG-ZDUSSCGKSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(O)c1OC ZINC000891781565 1015614492 /nfs/dbraw/zinc/61/44/92/1015614492.db2.gz JFEODKXRHMXNEN-OAHLLOKOSA-N 1 0 305.418 3.564 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)cc1 ZINC000163195652 1015665171 /nfs/dbraw/zinc/66/51/71/1015665171.db2.gz FEDXMBXCUBNAAD-JXFKEZNVSA-N 1 0 312.457 3.835 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1Cl ZINC000896607990 1015677265 /nfs/dbraw/zinc/67/72/65/1015677265.db2.gz BYNQUVQCPKYXIQ-QGZVFWFLSA-N 1 0 302.805 3.990 20 10 DHCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000184940516 1016454043 /nfs/dbraw/zinc/45/40/43/1016454043.db2.gz SRANVRQQBLVGQR-ZDUSSCGKSA-N 1 0 323.440 3.789 20 10 DHCDRO CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1O ZINC000281662829 1016653159 /nfs/dbraw/zinc/65/31/59/1016653159.db2.gz QHNFNUZIBCNPSX-HNNXBMFYSA-N 1 0 317.458 3.558 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1F ZINC000185333184 1016863627 /nfs/dbraw/zinc/86/36/27/1016863627.db2.gz BITFUAMLFWSLSA-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)CC2(N(C)C)CCC2)cc1C(C)C ZINC000783548615 1016870352 /nfs/dbraw/zinc/87/03/52/1016870352.db2.gz OVHKDZGBMHAQRU-UHFFFAOYSA-N 1 0 304.478 3.740 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1cc(Br)ccc1O ZINC000386591515 1016879428 /nfs/dbraw/zinc/87/94/28/1016879428.db2.gz JMDIKYQWYSCQST-WCQYABFASA-N 1 0 316.239 3.620 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185574514 1017024883 /nfs/dbraw/zinc/02/48/83/1017024883.db2.gz BRVVUOCVTYMBIN-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897082527 1017035955 /nfs/dbraw/zinc/03/59/55/1017035955.db2.gz UCPMPEXMORYCEU-GUYCJALGSA-N 1 0 309.837 3.649 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000192783931 1017058402 /nfs/dbraw/zinc/05/84/02/1017058402.db2.gz VYKGTFFLEAIIFZ-UONOGXRCSA-N 1 0 313.397 3.884 20 10 DHCDRO CCCn1nc(C)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c1C ZINC000475193763 1017066580 /nfs/dbraw/zinc/06/65/80/1017066580.db2.gz UGWLOQWNZZLFPO-UHFFFAOYSA-N 1 0 324.472 4.000 20 10 DHCDRO CCCN(Cc1ncc(CSC)s1)c1ccc(C[NH3+])cc1 ZINC000294811601 1032165513 /nfs/dbraw/zinc/16/55/13/1032165513.db2.gz WTXOBNQYSAQNSM-UHFFFAOYSA-N 1 0 321.515 3.881 20 10 DHCDRO CSC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000294880781 1032192355 /nfs/dbraw/zinc/19/23/55/1032192355.db2.gz UTAGOCGROGQQLV-AWEZNQCLSA-N 1 0 309.475 3.572 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)c(O)c1 ZINC000295061808 1032262108 /nfs/dbraw/zinc/26/21/08/1032262108.db2.gz GRBYBELIQZTEBZ-UHFFFAOYSA-N 1 0 324.783 3.658 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCCCC2)cc1 ZINC000090454600 1032401513 /nfs/dbraw/zinc/40/15/13/1032401513.db2.gz LAHZLAQLTOVZQB-MAUKXSAKSA-N 1 0 324.472 3.608 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)OCO2 ZINC000054569570 1032415176 /nfs/dbraw/zinc/41/51/76/1032415176.db2.gz NFMUXZQDBCFVLH-HNNXBMFYSA-N 1 0 315.344 3.597 20 10 DHCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840820607 1017088928 /nfs/dbraw/zinc/08/89/28/1017088928.db2.gz SEKMEOHOCFVZMV-LZQZEXGQSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2ccccc2c1O ZINC000185652368 1017080259 /nfs/dbraw/zinc/08/02/59/1017080259.db2.gz AKZNWZBZBYTWRF-QAPCUYQASA-N 1 0 321.420 3.972 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773030301 1032533692 /nfs/dbraw/zinc/53/36/92/1032533692.db2.gz MZGIJDQNBGZXMW-ZFWWWQNUSA-N 1 0 308.466 3.972 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773038836 1032535749 /nfs/dbraw/zinc/53/57/49/1032535749.db2.gz HMFMBDFNJIQUBJ-RTBURBONSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773041015 1032537425 /nfs/dbraw/zinc/53/74/25/1032537425.db2.gz PSWYFELZVBQGAA-MOKVOYLWSA-N 1 0 308.853 3.626 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000773107575 1032562168 /nfs/dbraw/zinc/56/21/68/1032562168.db2.gz XYFMGLBAPCVZID-HNNXBMFYSA-N 1 0 324.472 3.703 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773145012 1032576046 /nfs/dbraw/zinc/57/60/46/1032576046.db2.gz HIRHGSHGOBBEHT-GOEBONIOSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000319762461 1012264046 /nfs/dbraw/zinc/26/40/46/1012264046.db2.gz DTTSPTUDBQZJTQ-SJLPKXTDSA-N 1 0 302.462 3.582 20 10 DHCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000757658095 1032630917 /nfs/dbraw/zinc/63/09/17/1032630917.db2.gz VYQQCCJCEYWVMH-OCCSQVGLSA-N 1 0 323.820 3.937 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000037127987 1012825175 /nfs/dbraw/zinc/82/51/75/1012825175.db2.gz QKCWFRJJGSEIQR-HNNXBMFYSA-N 1 0 301.411 3.728 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)Cc2cnc(C)s2)c(O)c1 ZINC000179383244 1012971340 /nfs/dbraw/zinc/97/13/40/1012971340.db2.gz DVYUVMYMKPKQAD-UHFFFAOYSA-N 1 0 306.431 3.578 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3c(F)cccc3C2)cc1 ZINC001171440437 1032684788 /nfs/dbraw/zinc/68/47/88/1032684788.db2.gz JCFXSTOVZJIQAW-SFHVURJKSA-N 1 0 312.432 3.881 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Br)cc1O ZINC000840858430 1017204978 /nfs/dbraw/zinc/20/49/78/1017204978.db2.gz ABEPVPQCFWKHCQ-FXPVBKGRSA-N 1 0 316.264 3.699 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716252353 1032692132 /nfs/dbraw/zinc/69/21/32/1032692132.db2.gz FTJFRJJGAHSUBV-UHFFFAOYSA-N 1 0 317.816 3.883 20 10 DHCDRO COc1cccc2c1CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000783594075 1017400359 /nfs/dbraw/zinc/40/03/59/1017400359.db2.gz BOZFIYBLQZQISD-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840939733 1017519685 /nfs/dbraw/zinc/51/96/85/1017519685.db2.gz PBTKYOVSRPMWEU-ZDUSSCGKSA-N 1 0 303.475 3.719 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000185980008 1017595382 /nfs/dbraw/zinc/59/53/82/1017595382.db2.gz BCWIWLYWTPISSR-KBPBESRZSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1cccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186066563 1017680045 /nfs/dbraw/zinc/68/00/45/1017680045.db2.gz LLDBKAXZZJPRMT-CYBMUJFWSA-N 1 0 319.376 3.660 20 10 DHCDRO C[NH+](C)CCc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000125739443 1032718498 /nfs/dbraw/zinc/71/84/98/1032718498.db2.gz UDOBUAWTFOZUFT-UHFFFAOYSA-N 1 0 304.821 3.762 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(Sc3ccccn3)CC2)c1 ZINC000367227145 1017910445 /nfs/dbraw/zinc/91/04/45/1017910445.db2.gz VBHNVLJLZXUCSN-UHFFFAOYSA-N 1 0 314.454 3.852 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497821 1032736693 /nfs/dbraw/zinc/73/66/93/1032736693.db2.gz WTQYSAXOWLQJOY-HNNXBMFYSA-N 1 0 315.363 3.586 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(c3nccs3)CCCC2)c1O ZINC000764125431 1018163195 /nfs/dbraw/zinc/16/31/95/1018163195.db2.gz KFLVDCYJOOQXAZ-UHFFFAOYSA-N 1 0 318.442 3.725 20 10 DHCDRO C[C@H]([NH2+]CC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764517175 1018304564 /nfs/dbraw/zinc/30/45/64/1018304564.db2.gz ZYAJLLCEPDDWJM-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000764821620 1018391389 /nfs/dbraw/zinc/39/13/89/1018391389.db2.gz BAXZBFVKEUCPHV-HXUWFJFHSA-N 1 0 312.457 3.698 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cc(F)ccc1O ZINC000926918930 1032763126 /nfs/dbraw/zinc/76/31/26/1032763126.db2.gz JVUWNQHPSKGCQO-VXGBXAGGSA-N 1 0 301.361 3.706 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCCc2ccncc2)cc1 ZINC000764953673 1018432920 /nfs/dbraw/zinc/43/29/20/1018432920.db2.gz FUUCXTNKGHVLMI-UHFFFAOYSA-N 1 0 311.473 3.992 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000825754041 1032765876 /nfs/dbraw/zinc/76/58/76/1032765876.db2.gz YSCSZYNBYCPHAH-SECBINFHSA-N 1 0 320.177 3.680 20 10 DHCDRO COc1cc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC000766139577 1018479896 /nfs/dbraw/zinc/47/98/96/1018479896.db2.gz SENUAIKEEPDXGT-MRXNPFEDSA-N 1 0 312.457 3.963 20 10 DHCDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766143721 1018497869 /nfs/dbraw/zinc/49/78/69/1018497869.db2.gz BUUAPTQFHBHVNC-INIZCTEOSA-N 1 0 306.450 3.525 20 10 DHCDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000858121017 1032773188 /nfs/dbraw/zinc/77/31/88/1032773188.db2.gz RTLQOGVPZQOWPU-UHFFFAOYSA-N 1 0 319.426 3.699 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000765262675 1018735006 /nfs/dbraw/zinc/73/50/06/1018735006.db2.gz XJVCACJZXHABPD-UGSOOPFHSA-N 1 0 318.848 3.790 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2(COC)CC2)cc1 ZINC000765273374 1018740003 /nfs/dbraw/zinc/74/00/03/1018740003.db2.gz UWEVJRRWSNAXER-UHFFFAOYSA-N 1 0 324.468 3.982 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328371 1018756980 /nfs/dbraw/zinc/75/69/80/1018756980.db2.gz FHHDVVPJPOMHMF-GJZGRUSLSA-N 1 0 316.470 3.997 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765937957 1018915199 /nfs/dbraw/zinc/91/51/99/1018915199.db2.gz YFSSDWSGMAXYHN-OXQOHEQNSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765937954 1018915747 /nfs/dbraw/zinc/91/57/47/1018915747.db2.gz YFSSDWSGMAXYHN-JXFKEZNVSA-N 1 0 316.489 3.879 20 10 DHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000922982716 1018956073 /nfs/dbraw/zinc/95/60/73/1018956073.db2.gz FCMAMJBVTWTXSY-UHFFFAOYSA-N 1 0 319.424 3.821 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001117040983 1018974128 /nfs/dbraw/zinc/97/41/28/1018974128.db2.gz ZIZZCWYNZWBVRU-KBPBESRZSA-N 1 0 307.434 3.780 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC3(C)C)CC2)cc1 ZINC000765639136 1019022631 /nfs/dbraw/zinc/02/26/31/1019022631.db2.gz TUKHQYQOJSACAP-SFHVURJKSA-N 1 0 302.462 3.832 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1F ZINC000858196708 1032802217 /nfs/dbraw/zinc/80/22/17/1032802217.db2.gz XOVOQIALCVDSKT-JTQLQIEISA-N 1 0 323.214 3.704 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c1 ZINC000186159318 1019099477 /nfs/dbraw/zinc/09/94/77/1019099477.db2.gz MKDYRJBNOMOCSY-BEFAXECRSA-N 1 0 311.425 3.865 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1c(C)noc1C ZINC000921937156 1019160006 /nfs/dbraw/zinc/16/00/06/1019160006.db2.gz XOKSNQQHTUEZID-INIZCTEOSA-N 1 0 300.402 3.857 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000825774581 1032811770 /nfs/dbraw/zinc/81/17/70/1032811770.db2.gz YSVYVDJAJKNBFF-UHFFFAOYSA-N 1 0 319.836 3.899 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765960153 1019178190 /nfs/dbraw/zinc/17/81/90/1019178190.db2.gz UXBPNMXFVJLRAX-KXBFYZLASA-N 1 0 320.452 3.893 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922018565 1019311405 /nfs/dbraw/zinc/31/14/05/1019311405.db2.gz YRFFDYBLBMEQRE-UHFFFAOYSA-N 1 0 314.454 3.808 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@]1(C)O ZINC001143103499 1019370570 /nfs/dbraw/zinc/37/05/70/1019370570.db2.gz DRXWZSIACMJQAK-LIRRHRJNSA-N 1 0 305.462 3.673 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000192750771 1032841074 /nfs/dbraw/zinc/84/10/74/1032841074.db2.gz ONPRFIHPVOOMPP-VXGBXAGGSA-N 1 0 315.369 3.541 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccns2)cc1F ZINC000858316664 1032842257 /nfs/dbraw/zinc/84/22/57/1032842257.db2.gz GHVCJNBXCOIZPK-LBPRGKRZSA-N 1 0 307.438 3.979 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)cc1 ZINC000858333063 1032850632 /nfs/dbraw/zinc/85/06/32/1032850632.db2.gz UUAIEWJLEMKNOA-INIZCTEOSA-N 1 0 314.473 3.834 20 10 DHCDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727838910 1019819802 /nfs/dbraw/zinc/81/98/02/1019819802.db2.gz PSBDYYZCVCMRGL-ICSRJNTNSA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)cn1 ZINC000922299029 1019980487 /nfs/dbraw/zinc/98/04/87/1019980487.db2.gz AQPHGWYOIPLFOC-HXUWFJFHSA-N 1 0 324.424 3.656 20 10 DHCDRO CCCOc1ccc(CNCc2cc(N(C)C)cc[nH+]2)cc1C ZINC000922477935 1020093992 /nfs/dbraw/zinc/09/39/92/1020093992.db2.gz MWZGACNSNCCVNC-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)cc1F ZINC000731843422 1020157208 /nfs/dbraw/zinc/15/72/08/1020157208.db2.gz FGJNIEWCSSHZBH-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO Oc1ccccc1C[N@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000731848111 1020157847 /nfs/dbraw/zinc/15/78/47/1020157847.db2.gz SFCWCABBFWEXBS-UHFFFAOYSA-N 1 0 317.351 3.716 20 10 DHCDRO C[C@H](CC1CC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765993026 1020163503 /nfs/dbraw/zinc/16/35/03/1020163503.db2.gz KPEPFHANNYERKX-DYVFJYSZSA-N 1 0 322.880 3.788 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000309895300 1020177819 /nfs/dbraw/zinc/17/78/19/1020177819.db2.gz PXQLETBHSOVGKJ-XLIONFOSSA-N 1 0 323.484 3.678 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)C2CCCC2)cc1 ZINC000765802053 1020252847 /nfs/dbraw/zinc/25/28/47/1020252847.db2.gz RRFDWHMMHHJDHI-MRXNPFEDSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1O ZINC000922774941 1020257735 /nfs/dbraw/zinc/25/77/35/1020257735.db2.gz FSKWKYSNGGVUDX-GDBMZVCRSA-N 1 0 319.351 3.539 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c(O)c1 ZINC000922844997 1020308068 /nfs/dbraw/zinc/30/80/68/1020308068.db2.gz JMTQQKYAVFARAX-AWEZNQCLSA-N 1 0 307.459 3.699 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1C ZINC000091958198 1020328028 /nfs/dbraw/zinc/32/80/28/1020328028.db2.gz ICOFHCCFGSXIAV-WMZOPIPTSA-N 1 0 315.413 3.690 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2scnc2C2CC2)cc1F ZINC000785442719 1020357716 /nfs/dbraw/zinc/35/77/16/1020357716.db2.gz TYHRHASFKUOGPL-UHFFFAOYSA-N 1 0 305.422 3.515 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1OC(F)F ZINC000733326671 1020373634 /nfs/dbraw/zinc/37/36/34/1020373634.db2.gz STMIYTPKVFHCPL-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO COc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1O ZINC000733329988 1020377197 /nfs/dbraw/zinc/37/71/97/1020377197.db2.gz NJRGYNLQPRNGHD-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463658 1020407263 /nfs/dbraw/zinc/40/72/63/1020407263.db2.gz FXSDEFBUEWSNAJ-RTBURBONSA-N 1 0 322.452 3.634 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000179553435 1020409213 /nfs/dbraw/zinc/40/92/13/1020409213.db2.gz OAEFNWLVUGDXBO-MRXNPFEDSA-N 1 0 311.381 3.501 20 10 DHCDRO COc1cccc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140730224 1020422318 /nfs/dbraw/zinc/42/23/18/1020422318.db2.gz BNKIVLBOUFVUGA-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CCC(CC)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765848129 1020491667 /nfs/dbraw/zinc/49/16/67/1020491667.db2.gz FQXGMYFVEABKCW-CQSZACIVSA-N 1 0 308.441 3.749 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C(C)C ZINC000765870922 1020537745 /nfs/dbraw/zinc/53/77/45/1020537745.db2.gz ARCSLLAKZSTYQG-LJQANCHMSA-N 1 0 304.478 3.684 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)c1O ZINC000858487615 1032917962 /nfs/dbraw/zinc/91/79/62/1032917962.db2.gz DHGYGYOVZGWFPL-CQSZACIVSA-N 1 0 314.429 3.733 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)CCC3)cc2F)C[C@H](C)O1 ZINC000766212901 1020686807 /nfs/dbraw/zinc/68/68/07/1020686807.db2.gz BJYGBAXLXNLUNE-GASCZTMLSA-N 1 0 320.452 3.719 20 10 DHCDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000735678621 1020758560 /nfs/dbraw/zinc/75/85/60/1020758560.db2.gz YETNKKIZFZXQKH-LRDDRELGSA-N 1 0 311.853 3.977 20 10 DHCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000735668496 1020760857 /nfs/dbraw/zinc/76/08/57/1020760857.db2.gz JYLSQRJRDGTEAS-NEPJUHHUSA-N 1 0 309.475 3.721 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@H](C)[C@H]3C)c2c1 ZINC000735666154 1020761311 /nfs/dbraw/zinc/76/13/11/1020761311.db2.gz CKTTUUVPZARGPG-CHWSQXEVSA-N 1 0 317.454 3.880 20 10 DHCDRO CCOc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(O)c1 ZINC000736361762 1020811002 /nfs/dbraw/zinc/81/10/02/1020811002.db2.gz VDHMEUJTMGMLQB-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000738098966 1020860452 /nfs/dbraw/zinc/86/04/52/1020860452.db2.gz MMOOKSJMHFIEDJ-GOSISDBHSA-N 1 0 324.468 3.996 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCCO1 ZINC000738158573 1020863195 /nfs/dbraw/zinc/86/31/95/1020863195.db2.gz MPCZPLROZQCBKU-CYBMUJFWSA-N 1 0 311.381 3.902 20 10 DHCDRO C[N@H+](Cc1ccccc1O)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171930002 1032941269 /nfs/dbraw/zinc/94/12/69/1032941269.db2.gz NBOOYBHWMGFNCN-UHFFFAOYSA-N 1 0 319.445 3.725 20 10 DHCDRO COc1ccc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1C ZINC000740006315 1020923267 /nfs/dbraw/zinc/92/32/67/1020923267.db2.gz KCTQUMDFZLKQKX-AUUYWEPGSA-N 1 0 305.462 3.671 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1F ZINC000740001926 1020923370 /nfs/dbraw/zinc/92/33/70/1020923370.db2.gz KJXDKKQQWGTWRT-AWEZNQCLSA-N 1 0 304.409 3.986 20 10 DHCDRO CCc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)on1 ZINC000741258997 1020996093 /nfs/dbraw/zinc/99/60/93/1020996093.db2.gz UZMJDMUCETUSQO-UHFFFAOYSA-N 1 0 308.381 3.899 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cnn(C)c1 ZINC000742371954 1021112888 /nfs/dbraw/zinc/11/28/88/1021112888.db2.gz DPRQJOWJXNUIPW-CQSZACIVSA-N 1 0 307.397 3.644 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cnn(C)c1 ZINC000742371953 1021113079 /nfs/dbraw/zinc/11/30/79/1021113079.db2.gz DPRQJOWJXNUIPW-AWEZNQCLSA-N 1 0 307.397 3.644 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000742372244 1021113185 /nfs/dbraw/zinc/11/31/85/1021113185.db2.gz KIMSLRCOCQCYHS-KXBFYZLASA-N 1 0 311.425 3.700 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Cc1cccs1 ZINC000742375476 1021114070 /nfs/dbraw/zinc/11/40/70/1021114070.db2.gz PCXOTFREVDCWDS-CYBMUJFWSA-N 1 0 306.450 3.922 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000742376796 1021115222 /nfs/dbraw/zinc/11/52/22/1021115222.db2.gz HOVJLLUXFMOMKR-IPMKNSEASA-N 1 0 316.489 3.826 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000176985699 1021191244 /nfs/dbraw/zinc/19/12/44/1021191244.db2.gz MYMMWQISRJXXOH-QWRGUYRKSA-N 1 0 304.321 3.851 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000176983586 1021192060 /nfs/dbraw/zinc/19/20/60/1021192060.db2.gz MYCAJWVNMCDFSX-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO CC(C)CCOC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917466525 1021274033 /nfs/dbraw/zinc/27/40/33/1021274033.db2.gz WAVYGGIXXLAPDF-UHFFFAOYSA-N 1 0 317.473 3.908 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1O ZINC000181614949 1021281545 /nfs/dbraw/zinc/28/15/45/1021281545.db2.gz JHLIVUMPJGAQAH-QGZVFWFLSA-N 1 0 314.429 3.610 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)CO1 ZINC000743409060 1021288792 /nfs/dbraw/zinc/28/87/92/1021288792.db2.gz QYTFQLHUZICXEW-MGPUTAFESA-N 1 0 323.436 3.843 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000743499601 1021306674 /nfs/dbraw/zinc/30/66/74/1021306674.db2.gz ZFMSXVCVFQBMSF-UHFFFAOYSA-N 1 0 303.475 3.896 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000165754903 1021362676 /nfs/dbraw/zinc/36/26/76/1021362676.db2.gz TZRVWMXGJZCXKG-JKSUJKDBSA-N 1 0 310.532 3.642 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000178345996 1021396178 /nfs/dbraw/zinc/39/61/78/1021396178.db2.gz BRWIQELCKAVEIO-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO COc1cc(C[NH2+]CC2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000850134771 1021424755 /nfs/dbraw/zinc/42/47/55/1021424755.db2.gz HLXNEQONOYNJDK-UHFFFAOYSA-N 1 0 323.502 3.931 20 10 DHCDRO CCc1cccc2cc(C[NH2+]Cc3cc(OC)ccc3O)oc21 ZINC000850137995 1021426003 /nfs/dbraw/zinc/42/60/03/1021426003.db2.gz ZXTRJLUFGNZYMY-UHFFFAOYSA-N 1 0 311.381 3.999 20 10 DHCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850168482 1021430153 /nfs/dbraw/zinc/43/01/53/1021430153.db2.gz FRHKAPRAMDGPDX-CQSZACIVSA-N 1 0 323.477 3.587 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(F)cn2)c(O)c(C(C)(C)C)c1 ZINC000850191404 1021435190 /nfs/dbraw/zinc/43/51/90/1021435190.db2.gz BAKYWHNRBCAHBV-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO COCCC1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850200821 1021436338 /nfs/dbraw/zinc/43/63/38/1021436338.db2.gz XOEOBJMGVWBIEY-UHFFFAOYSA-N 1 0 321.461 3.605 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850238744 1021451974 /nfs/dbraw/zinc/45/19/74/1021451974.db2.gz AMFCHDSAPQYRLR-KGLIPLIRSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850237064 1021452529 /nfs/dbraw/zinc/45/25/29/1021452529.db2.gz XHRBPEFGFWAKOZ-GUYCJALGSA-N 1 0 321.461 3.603 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000154652498 1021468845 /nfs/dbraw/zinc/46/88/45/1021468845.db2.gz WMQUCJHAXMCPJH-APWZRJJASA-N 1 0 306.494 3.838 20 10 DHCDRO CC[C@H](COCC1CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850351646 1021483673 /nfs/dbraw/zinc/48/36/73/1021483673.db2.gz QPTVENPUQJDKNI-DUMMIQTOSA-N 1 0 302.462 3.561 20 10 DHCDRO CC(C)(C)OCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850368771 1021492482 /nfs/dbraw/zinc/49/24/82/1021492482.db2.gz FAUAMWWTGBZCDN-UHFFFAOYSA-N 1 0 304.478 3.972 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2c(C3CCC3)cnn2C)cc1 ZINC000850394351 1021507002 /nfs/dbraw/zinc/50/70/02/1021507002.db2.gz WPTHESOAXMJTTR-AATRIKPKSA-N 1 0 324.472 3.557 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000850405137 1021514060 /nfs/dbraw/zinc/51/40/60/1021514060.db2.gz ICEUEQIGEUMPNA-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO COc1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1C ZINC000850416643 1021522723 /nfs/dbraw/zinc/52/27/23/1021522723.db2.gz MURPYOCKYSZGAL-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccn1 ZINC000850483376 1021558995 /nfs/dbraw/zinc/55/89/95/1021558995.db2.gz WQQCQBRJCDAQRK-YWPYICTPSA-N 1 0 300.377 3.868 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000850483185 1021559112 /nfs/dbraw/zinc/55/91/12/1021559112.db2.gz URZWPUZPHJRHNR-RDJZCZTQSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490272 1021561854 /nfs/dbraw/zinc/56/18/54/1021561854.db2.gz YSODKEYFYGQFQX-RDTXWAMCSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850495275 1021563516 /nfs/dbraw/zinc/56/35/16/1021563516.db2.gz ZHXVIFLDOQIZOM-YRGRVCCFSA-N 1 0 306.425 3.542 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000850505216 1021566482 /nfs/dbraw/zinc/56/64/82/1021566482.db2.gz PJKGYRVXMCZVRU-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccnc3ccccc13)CC2 ZINC000850506095 1021566535 /nfs/dbraw/zinc/56/65/35/1021566535.db2.gz FKUAVTDTFVECEU-GOSISDBHSA-N 1 0 304.393 3.760 20 10 DHCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc2ccccc2c1O ZINC000850520964 1021574973 /nfs/dbraw/zinc/57/49/73/1021574973.db2.gz KOCWSGLYXIGRNH-IAQYHMDHSA-N 1 0 307.340 3.620 20 10 DHCDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850523084 1021575005 /nfs/dbraw/zinc/57/50/05/1021575005.db2.gz YBJHUVJQVIIQKB-IAQYHMDHSA-N 1 0 319.351 3.715 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1O ZINC000850525130 1021577387 /nfs/dbraw/zinc/57/73/87/1021577387.db2.gz GVKLUSMOWZXULJ-GLZQIGESSA-N 1 0 303.789 3.875 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000850527201 1021580662 /nfs/dbraw/zinc/58/06/62/1021580662.db2.gz ZJQPSEMBVSHFEY-CJNGLKHVSA-N 1 0 301.430 3.633 20 10 DHCDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(Cl)cc1O ZINC000850531874 1021584168 /nfs/dbraw/zinc/58/41/68/1021584168.db2.gz IHVMZNWBLLJHCU-FZQKWOKYSA-N 1 0 317.763 3.511 20 10 DHCDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000850549226 1021597267 /nfs/dbraw/zinc/59/72/67/1021597267.db2.gz FGLHSUFWUAALJQ-AWEZNQCLSA-N 1 0 307.397 3.537 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850548967 1021597865 /nfs/dbraw/zinc/59/78/65/1021597865.db2.gz CEQZPLIOTGTRDA-CQSZACIVSA-N 1 0 312.461 3.604 20 10 DHCDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000850549234 1021598110 /nfs/dbraw/zinc/59/81/10/1021598110.db2.gz FGLHSUFWUAALJQ-CQSZACIVSA-N 1 0 307.397 3.537 20 10 DHCDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000850551823 1021599221 /nfs/dbraw/zinc/59/92/21/1021599221.db2.gz VOPKWTFFXZMGIL-QGZVFWFLSA-N 1 0 324.472 3.669 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccccc1O ZINC000850554121 1021600679 /nfs/dbraw/zinc/60/06/79/1021600679.db2.gz BVUFNLSDPKESQA-MRXNPFEDSA-N 1 0 318.461 3.520 20 10 DHCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568356 1021611206 /nfs/dbraw/zinc/61/12/06/1021611206.db2.gz WEXYDCSCTAVIIA-OXQOHEQNSA-N 1 0 316.489 3.706 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1O ZINC000378923934 1021622176 /nfs/dbraw/zinc/62/21/76/1021622176.db2.gz ZZHZDEPHYDTDSD-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850585203 1021625033 /nfs/dbraw/zinc/62/50/33/1021625033.db2.gz WYPNYXCFUBYWPI-XWCIJXRUSA-N 1 0 305.805 3.818 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccccc3nc2C)c1 ZINC000182406057 1021639298 /nfs/dbraw/zinc/63/92/98/1021639298.db2.gz KVRPCLFFQOGDCO-GFCCVEGCSA-N 1 0 323.396 3.503 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccccc3nc2C)c1 ZINC000182406035 1021640653 /nfs/dbraw/zinc/64/06/53/1021640653.db2.gz KVRPCLFFQOGDCO-LBPRGKRZSA-N 1 0 323.396 3.503 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776496676 1021664136 /nfs/dbraw/zinc/66/41/36/1021664136.db2.gz BMPXJTANNLSUNY-LIRRHRJNSA-N 1 0 316.420 3.758 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000776499621 1021681447 /nfs/dbraw/zinc/68/14/47/1021681447.db2.gz WXCXDSPCAPCYBE-YJYMSZOUSA-N 1 0 315.388 3.626 20 10 DHCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000763531135 1021685165 /nfs/dbraw/zinc/68/51/65/1021685165.db2.gz OAFPVPCOBZSOER-IEBWSBKVSA-N 1 0 316.489 3.970 20 10 DHCDRO CCCOC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237123669 1021703346 /nfs/dbraw/zinc/70/33/46/1021703346.db2.gz FJDCQMZODYQTFS-UHFFFAOYSA-N 1 0 301.789 3.576 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)nc1C ZINC000314316925 1021753255 /nfs/dbraw/zinc/75/32/55/1021753255.db2.gz RNDOXGSUHRXONY-UHFFFAOYSA-N 1 0 309.457 3.979 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](CC)c1ccccc1O)CC(C)C ZINC000155021815 1021819308 /nfs/dbraw/zinc/81/93/08/1021819308.db2.gz OEDCIXGOROQAOA-HOCLYGCPSA-N 1 0 322.449 3.594 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)C[C@H](C)O)cc1 ZINC000776522079 1021820657 /nfs/dbraw/zinc/82/06/57/1021820657.db2.gz ZIXVAJAUYCJADG-KRWDZBQOSA-N 1 0 312.457 3.526 20 10 DHCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000746051807 1021836021 /nfs/dbraw/zinc/83/60/21/1021836021.db2.gz VCGDJTMYJPDLBM-UHFFFAOYSA-N 1 0 313.441 3.700 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000756337967 1021944427 /nfs/dbraw/zinc/94/44/27/1021944427.db2.gz ZXUDYQVVJPVNJE-SFHVURJKSA-N 1 0 303.446 3.954 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172123368 1033023094 /nfs/dbraw/zinc/02/30/94/1033023094.db2.gz CDHVWGIBXKFYBU-ACDBMABISA-N 1 0 315.505 3.590 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(Br)cs2)c1 ZINC000070988823 1022014677 /nfs/dbraw/zinc/01/46/77/1022014677.db2.gz YCWDMDDUEWLKGX-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CCCC[N@H+](Cc1cc(OC)ns1)Cc1ccccc1O ZINC000852017629 1022060850 /nfs/dbraw/zinc/06/08/50/1022060850.db2.gz FDRKYQBGHCQOIE-UHFFFAOYSA-N 1 0 306.431 3.660 20 10 DHCDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCCC2)ccc1N1CCCCC1 ZINC000920183937 1022071224 /nfs/dbraw/zinc/07/12/24/1022071224.db2.gz XPXSKMIPOVVWBO-UHFFFAOYSA-N 1 0 317.433 3.865 20 10 DHCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766368185 1022078285 /nfs/dbraw/zinc/07/82/85/1022078285.db2.gz YFMRAXUUFBGNAK-QFBILLFUSA-N 1 0 304.478 3.999 20 10 DHCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766399701 1022091862 /nfs/dbraw/zinc/09/18/62/1022091862.db2.gz WNCNNRIZNCABMG-LPHOPBHVSA-N 1 0 312.457 3.661 20 10 DHCDRO C[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000766402245 1022095050 /nfs/dbraw/zinc/09/50/50/1022095050.db2.gz BBCPQMPTMMVDEI-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1 ZINC000766436557 1022113593 /nfs/dbraw/zinc/11/35/93/1022113593.db2.gz HZNZZTNNFAKCHY-KFKAGJAMSA-N 1 0 304.478 3.735 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCc1c(C)oc2ccccc21 ZINC000766477652 1022129640 /nfs/dbraw/zinc/12/96/40/1022129640.db2.gz DNXFWOPPDFVFNY-UHFFFAOYSA-N 1 0 311.381 3.788 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCC(OC)CC2)cc1 ZINC000766495476 1022133136 /nfs/dbraw/zinc/13/31/36/1022133136.db2.gz NAEIFOIUODROMR-LYGPFTKASA-N 1 0 304.478 3.999 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000183451567 1022147357 /nfs/dbraw/zinc/14/73/57/1022147357.db2.gz CBZWRGQPCPIKPL-GJZGRUSLSA-N 1 0 324.424 3.931 20 10 DHCDRO CCOC1CC(CC[NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000189251601 1022148027 /nfs/dbraw/zinc/14/80/27/1022148027.db2.gz KLGJQRFWHBAFRN-XUJQIHCRSA-N 1 0 304.478 3.999 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1O ZINC000183514534 1022169759 /nfs/dbraw/zinc/16/97/59/1022169759.db2.gz XDQJTURKJWKINN-LRDDRELGSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(-n2cccn2)c1 ZINC000183539265 1022180344 /nfs/dbraw/zinc/18/03/44/1022180344.db2.gz WEAZPRMKYMHTBO-CABCVRRESA-N 1 0 307.397 3.990 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241386 1022242477 /nfs/dbraw/zinc/24/24/77/1022242477.db2.gz LSTVMINRQYRXDJ-WMLDXEAASA-N 1 0 319.408 3.916 20 10 DHCDRO C[C@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]C1 ZINC000853306383 1022255653 /nfs/dbraw/zinc/25/56/53/1022255653.db2.gz WKBRRCXHNROLOV-SFHVURJKSA-N 1 0 323.400 3.976 20 10 DHCDRO COCCN(CCF)Cc1cc2oc3ccccc3c2cc1O ZINC000853548814 1022292495 /nfs/dbraw/zinc/29/24/95/1022292495.db2.gz QNYFKYXLTGTLEB-UHFFFAOYSA-N 1 0 317.360 3.710 20 10 DHCDRO CC[C@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC001169340916 1022361476 /nfs/dbraw/zinc/36/14/76/1022361476.db2.gz BYPZEHLJPUVNBU-HXUWFJFHSA-N 1 0 316.489 3.986 20 10 DHCDRO CC1CC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000184371339 1022395639 /nfs/dbraw/zinc/39/56/39/1022395639.db2.gz OJYFHHSYBFUSRF-MOKVOYLWSA-N 1 0 310.388 3.645 20 10 DHCDRO COc1ccc(OCCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185127221 1022460192 /nfs/dbraw/zinc/46/01/92/1022460192.db2.gz PLFMEKKCVBSQLJ-ZDUSSCGKSA-N 1 0 319.376 3.660 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000273616640 1022544736 /nfs/dbraw/zinc/54/47/36/1022544736.db2.gz XNBAYMQTKWUSRB-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000186131253 1022554928 /nfs/dbraw/zinc/55/49/28/1022554928.db2.gz XZFFJDCSJUVHCI-TZMCWYRMSA-N 1 0 313.445 3.584 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000179907041 1022578426 /nfs/dbraw/zinc/57/84/26/1022578426.db2.gz VIPXKJZPIQLTBW-NRFANRHFSA-N 1 0 322.452 3.643 20 10 DHCDRO Oc1ccccc1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000238099951 1022685352 /nfs/dbraw/zinc/68/53/52/1022685352.db2.gz VAGZDBWDUHZCCD-UHFFFAOYSA-N 1 0 311.303 3.580 20 10 DHCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000691441821 1022692442 /nfs/dbraw/zinc/69/24/42/1022692442.db2.gz BIGCEURXLRVFST-NSHDSACASA-N 1 0 324.218 3.859 20 10 DHCDRO CC(C)CCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000236695756 1022797782 /nfs/dbraw/zinc/79/77/82/1022797782.db2.gz KBWGLNFWVPUEOQ-UHFFFAOYSA-N 1 0 308.441 3.578 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1F ZINC000767927877 1022843787 /nfs/dbraw/zinc/84/37/87/1022843787.db2.gz NTLZMAGWVBGMDK-MRXNPFEDSA-N 1 0 320.452 3.863 20 10 DHCDRO CCC[N@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccccc1O ZINC000069009960 1022860106 /nfs/dbraw/zinc/86/01/06/1022860106.db2.gz YCNTVODLKKCSEG-UHFFFAOYSA-N 1 0 312.413 3.551 20 10 DHCDRO C[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001169980664 1022876808 /nfs/dbraw/zinc/87/68/08/1022876808.db2.gz FXLBEENXCSHTMB-AWEZNQCLSA-N 1 0 319.493 3.814 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](CC)CCO)cc1 ZINC000768140164 1022905697 /nfs/dbraw/zinc/90/56/97/1022905697.db2.gz DAQJMYQUKIXNCH-UHFFFAOYSA-N 1 0 312.457 3.527 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1OC ZINC000768168165 1022909915 /nfs/dbraw/zinc/90/99/15/1022909915.db2.gz ARGWASUZSLWMSF-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COc1ccc(C[N@H+](Cc2c(O)cccc2OC)C2CC2)cc1 ZINC000768199198 1022913952 /nfs/dbraw/zinc/91/39/52/1022913952.db2.gz FVKONVZHLJHCBF-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c(O)c1 ZINC000768201517 1022914217 /nfs/dbraw/zinc/91/42/17/1022914217.db2.gz YHHKRSJQSJSEOZ-UHFFFAOYSA-N 1 0 319.376 3.571 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000768239751 1022923784 /nfs/dbraw/zinc/92/37/84/1022923784.db2.gz MIAJASNEZNMHCG-OAQYLSRUSA-N 1 0 324.468 3.670 20 10 DHCDRO COc1cccc(O)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000768214926 1022928763 /nfs/dbraw/zinc/92/87/63/1022928763.db2.gz HMGIFQOXIXWUGJ-UHFFFAOYSA-N 1 0 313.372 3.829 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000768248988 1022932968 /nfs/dbraw/zinc/93/29/68/1022932968.db2.gz NBNDFLNTKVYVQI-INIZCTEOSA-N 1 0 315.438 3.691 20 10 DHCDRO CCC(CC)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768257128 1022936803 /nfs/dbraw/zinc/93/68/03/1022936803.db2.gz HJZYMJJPAUDMJZ-UHFFFAOYSA-N 1 0 320.452 3.815 20 10 DHCDRO COc1ccc(F)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000857058674 1022937643 /nfs/dbraw/zinc/93/76/43/1022937643.db2.gz XWVSYXGKCUQBAK-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CC[N@H+](CCc1cccs1)Cc1cc(OC)c(C)cc1O ZINC000768439994 1022964473 /nfs/dbraw/zinc/96/44/73/1022964473.db2.gz MWCPDNSURMRQNQ-UHFFFAOYSA-N 1 0 305.443 3.835 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC3(CCCCC3)CC2)cc1OC ZINC000768446267 1022967006 /nfs/dbraw/zinc/96/70/06/1022967006.db2.gz WCLJXXDTQRBOFV-UHFFFAOYSA-N 1 0 319.445 3.956 20 10 DHCDRO CCS[C@H]1CCCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444645 1022968313 /nfs/dbraw/zinc/96/83/13/1022968313.db2.gz BAFVAKPBXHLAAC-HNNXBMFYSA-N 1 0 309.475 3.817 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC(C(C)(C)C)CC2)cc1OC ZINC000768448637 1022968602 /nfs/dbraw/zinc/96/86/02/1022968602.db2.gz UNBYJIUWSGYKNM-UHFFFAOYSA-N 1 0 307.434 3.668 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC ZINC000768439443 1022968971 /nfs/dbraw/zinc/96/89/71/1022968971.db2.gz LZPULRBAHVYRPB-IMJJTQAJSA-N 1 0 319.445 3.810 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000768480592 1022970537 /nfs/dbraw/zinc/97/05/37/1022970537.db2.gz AYYBDVUKHNHJPR-UHFFFAOYSA-N 1 0 308.356 3.638 20 10 DHCDRO CCC(CC)C[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000768506797 1022975230 /nfs/dbraw/zinc/97/52/30/1022975230.db2.gz GOTSWPNVDZPACA-UHFFFAOYSA-N 1 0 304.478 3.781 20 10 DHCDRO COc1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(O)cc1C ZINC000768466480 1022975415 /nfs/dbraw/zinc/97/54/15/1022975415.db2.gz QSWHQAPKCDEEPQ-KRWDZBQOSA-N 1 0 319.445 3.633 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c1O ZINC000768534557 1022983701 /nfs/dbraw/zinc/98/37/01/1022983701.db2.gz FPIBOSMAODDMMH-HXUWFJFHSA-N 1 0 311.425 3.998 20 10 DHCDRO CCOc1cccc(C[NH2+]C2CCC(CSC)CC2)c1O ZINC000294951821 1022987706 /nfs/dbraw/zinc/98/77/06/1022987706.db2.gz DDEJCBYLBMSLLW-UHFFFAOYSA-N 1 0 309.475 3.802 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](CCOC)Cc2ccco2)cc1 ZINC000768587443 1022998261 /nfs/dbraw/zinc/99/82/61/1022998261.db2.gz XFAOCEORNRKMCT-UHFFFAOYSA-N 1 0 316.445 3.774 20 10 DHCDRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000297207969 1023018524 /nfs/dbraw/zinc/01/85/24/1023018524.db2.gz GLLNOGBUHSVKBE-CQSZACIVSA-N 1 0 312.404 3.609 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000123430369 1023038556 /nfs/dbraw/zinc/03/85/56/1023038556.db2.gz CQHLBTYPRWBJJQ-SJORKVTESA-N 1 0 300.446 3.530 20 10 DHCDRO CC(C)C1=[NH+]CCc2ccc(NCc3ccc(O)c(O)c3)cc21 ZINC001169997343 1023046568 /nfs/dbraw/zinc/04/65/68/1023046568.db2.gz ZVCRJLRDBWAKMI-UHFFFAOYSA-N 1 0 310.397 3.711 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912636 1023054961 /nfs/dbraw/zinc/05/49/61/1023054961.db2.gz ATNOTDBFHWAYCJ-CKEIUWERSA-N 1 0 322.880 3.883 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000768914256 1023056334 /nfs/dbraw/zinc/05/63/34/1023056334.db2.gz UPPLFUDZKMDQNX-KFWWJZLASA-N 1 0 322.880 3.883 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)c(F)c1)Cc1ccccn1 ZINC000768927556 1023057327 /nfs/dbraw/zinc/05/73/27/1023057327.db2.gz YHDZTAFYVVSSAA-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000769008112 1023076988 /nfs/dbraw/zinc/07/69/88/1023076988.db2.gz NUUYOTSTSDLANF-HXUWFJFHSA-N 1 0 314.473 3.678 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000769106655 1023083962 /nfs/dbraw/zinc/08/39/62/1023083962.db2.gz VWTWGKBRVNFBNL-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO COc1ccccc1CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000769333270 1023124654 /nfs/dbraw/zinc/12/46/54/1023124654.db2.gz JARFFKQQVNGRFE-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000769398293 1023139131 /nfs/dbraw/zinc/13/91/31/1023139131.db2.gz JJGGEQCAIOVEAX-FQEVSTJZSA-N 1 0 310.441 3.500 20 10 DHCDRO COc1cccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1O ZINC000769404024 1023141038 /nfs/dbraw/zinc/14/10/38/1023141038.db2.gz HQHOOIGLLFAFCZ-UHFFFAOYSA-N 1 0 315.388 3.747 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1C ZINC000769415005 1023142776 /nfs/dbraw/zinc/14/27/76/1023142776.db2.gz MVKLYVDBMMRRNB-OCCSQVGLSA-N 1 0 322.449 3.573 20 10 DHCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000769405899 1023143687 /nfs/dbraw/zinc/14/36/87/1023143687.db2.gz GMWMCWLPQBZNMP-HNNXBMFYSA-N 1 0 304.503 3.908 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000769481888 1023151585 /nfs/dbraw/zinc/15/15/85/1023151585.db2.gz ANRPKFDXLQNIKQ-XLIONFOSSA-N 1 0 317.521 3.695 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000769481621 1023151783 /nfs/dbraw/zinc/15/17/83/1023151783.db2.gz WUJLOKJUTASZFW-UHFFFAOYSA-N 1 0 313.788 3.521 20 10 DHCDRO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000769484885 1023152367 /nfs/dbraw/zinc/15/23/67/1023152367.db2.gz WLLVTESUIZMCRD-GOSISDBHSA-N 1 0 319.832 3.910 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000769497795 1023167003 /nfs/dbraw/zinc/16/70/03/1023167003.db2.gz BHULPBXEVHQXMB-WBVHZDCISA-N 1 0 311.425 3.854 20 10 DHCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000769499876 1023168454 /nfs/dbraw/zinc/16/84/54/1023168454.db2.gz XFKXPFWWXGRCIE-HNNXBMFYSA-N 1 0 319.832 3.819 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)Oc1ccc(F)cc1 ZINC000756607634 1023168959 /nfs/dbraw/zinc/16/89/59/1023168959.db2.gz GNIRXEINZNPBAE-VXGBXAGGSA-N 1 0 307.340 3.789 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1O ZINC000769508684 1023170298 /nfs/dbraw/zinc/17/02/98/1023170298.db2.gz UPABIXVUNGQLCT-MRXNPFEDSA-N 1 0 301.361 3.877 20 10 DHCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769537053 1023175791 /nfs/dbraw/zinc/17/57/91/1023175791.db2.gz HCQSIOZKZVJDNR-OAHLLOKOSA-N 1 0 308.441 3.530 20 10 DHCDRO CCCN(Cc1c[nH]nc1C(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000194977557 1023202390 /nfs/dbraw/zinc/20/23/90/1023202390.db2.gz XLUMPCJYTLWDFD-UHFFFAOYSA-N 1 0 300.450 3.583 20 10 DHCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)c1 ZINC000769852559 1023229188 /nfs/dbraw/zinc/22/91/88/1023229188.db2.gz IKDHJQHFZGPMND-UHFFFAOYSA-N 1 0 310.441 3.579 20 10 DHCDRO Cc1cc(CC[NH2+]CC2=CCCOC2)c(C)n1-c1ccccc1 ZINC000769926318 1023248167 /nfs/dbraw/zinc/24/81/67/1023248167.db2.gz NCQKVFMRDSBNHM-UHFFFAOYSA-N 1 0 310.441 3.573 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000770376148 1023300014 /nfs/dbraw/zinc/30/00/14/1023300014.db2.gz VDPRMTCLFPHKME-OALUTQOASA-N 1 0 316.489 3.781 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000770376147 1023301167 /nfs/dbraw/zinc/30/11/67/1023301167.db2.gz VDPRMTCLFPHKME-MOPGFXCFSA-N 1 0 316.489 3.781 20 10 DHCDRO CC[C@@H](C)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771842445 1023474006 /nfs/dbraw/zinc/47/40/06/1023474006.db2.gz NQFTZQGIDYRAIH-KGLIPLIRSA-N 1 0 312.404 3.893 20 10 DHCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000771889579 1023481462 /nfs/dbraw/zinc/48/14/62/1023481462.db2.gz UJUABEJHGJRHEU-PKOBYXMFSA-N 1 0 302.462 3.580 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000876804189 1033146552 /nfs/dbraw/zinc/14/65/52/1033146552.db2.gz NJHKSAXROSNMEX-RDJZCZTQSA-N 1 0 317.454 3.850 20 10 DHCDRO CSc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000772469021 1023558226 /nfs/dbraw/zinc/55/82/26/1023558226.db2.gz GDHAHPZMOKWEPE-CYBMUJFWSA-N 1 0 301.459 3.720 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000876778919 1033140953 /nfs/dbraw/zinc/14/09/53/1033140953.db2.gz RZBNAXDDRIIHML-GUYCJALGSA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778664 1033141657 /nfs/dbraw/zinc/14/16/57/1033141657.db2.gz LKAANDZDTMGVCG-SUMWQHHRSA-N 1 0 303.427 3.724 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C[C@H]1C ZINC001172367580 1033147379 /nfs/dbraw/zinc/14/73/79/1033147379.db2.gz GRQVRGBHXYSNJV-GPMSIDNRSA-N 1 0 316.489 3.771 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000785989141 1023649328 /nfs/dbraw/zinc/64/93/28/1023649328.db2.gz SLBPSCLALBXXLL-APWZRJJASA-N 1 0 312.457 3.790 20 10 DHCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000786821861 1023731375 /nfs/dbraw/zinc/73/13/75/1023731375.db2.gz SGEYPJRKEZVGMP-LIRRHRJNSA-N 1 0 316.420 3.758 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cnn1C(C)C ZINC000786909904 1023736684 /nfs/dbraw/zinc/73/66/84/1023736684.db2.gz CFFUWCHHARKZPJ-HNNXBMFYSA-N 1 0 314.477 3.998 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1C ZINC000788260016 1023865998 /nfs/dbraw/zinc/86/59/98/1023865998.db2.gz QWNGDSATSROLFZ-NVXWUHKLSA-N 1 0 315.461 3.833 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccccc1O ZINC000788260243 1023866912 /nfs/dbraw/zinc/86/69/12/1023866912.db2.gz XFJWBJQIRQSMQF-HOTGVXAUSA-N 1 0 301.434 3.606 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(O)c1 ZINC000788600386 1023911326 /nfs/dbraw/zinc/91/13/26/1023911326.db2.gz CKOVLRCEBYMJEH-AEFFLSMTSA-N 1 0 313.441 3.826 20 10 DHCDRO CCn1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c1=O ZINC000788605704 1023912847 /nfs/dbraw/zinc/91/28/47/1023912847.db2.gz CADSYTQMBNZZNY-CQSZACIVSA-N 1 0 322.408 3.578 20 10 DHCDRO Cc1cc(C)c([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(O)c1 ZINC000788721096 1023925750 /nfs/dbraw/zinc/92/57/50/1023925750.db2.gz YBWBJACVEUETOQ-CQSZACIVSA-N 1 0 308.385 3.763 20 10 DHCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788756904 1023930478 /nfs/dbraw/zinc/93/04/78/1023930478.db2.gz JUQXLTQYQDFUFC-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000788801791 1023935636 /nfs/dbraw/zinc/93/56/36/1023935636.db2.gz ZUDNPVMFVCTBBF-UONOGXRCSA-N 1 0 322.449 3.573 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000093867480 1023942543 /nfs/dbraw/zinc/94/25/43/1023942543.db2.gz KWNPYCAOAQBURP-UTKZUKDTSA-N 1 0 322.452 3.716 20 10 DHCDRO CSC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000193816627 1023975850 /nfs/dbraw/zinc/97/58/50/1023975850.db2.gz KMIQNAXLILAPBE-SECBINFHSA-N 1 0 316.264 3.701 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2ccccc2c1O ZINC000185513355 1024032065 /nfs/dbraw/zinc/03/20/65/1024032065.db2.gz XLMIRFSSAQPEFM-SJCJKPOMSA-N 1 0 313.422 3.991 20 10 DHCDRO CCc1noc(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268129317 1024073025 /nfs/dbraw/zinc/07/30/25/1024073025.db2.gz BXFKKTMXHFONPV-UHFFFAOYSA-N 1 0 313.445 3.776 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000876908471 1033181386 /nfs/dbraw/zinc/18/13/86/1033181386.db2.gz MEKRDYKYLPUXAB-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905963 1033182034 /nfs/dbraw/zinc/18/20/34/1033182034.db2.gz NRYMJALFKQVNSO-SZNDQCEHSA-N 1 0 312.394 3.565 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000130047828 1024126006 /nfs/dbraw/zinc/12/60/06/1024126006.db2.gz HUPKEJNBJRIXTB-KRWDZBQOSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1O ZINC000789769252 1024160359 /nfs/dbraw/zinc/16/03/59/1024160359.db2.gz LUVFMVHQKLFPCO-KRWDZBQOSA-N 1 0 310.441 3.707 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000130619713 1024192197 /nfs/dbraw/zinc/19/21/97/1024192197.db2.gz NIUGUBRPGNEYSB-IBGZPJMESA-N 1 0 322.456 3.684 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000130673073 1024197081 /nfs/dbraw/zinc/19/70/81/1024197081.db2.gz FHOIQZMBGODVAP-UHFFFAOYSA-N 1 0 323.234 3.740 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c(O)c1 ZINC000876964054 1033192826 /nfs/dbraw/zinc/19/28/26/1033192826.db2.gz QKYNUTUAJLAITL-UHFFFAOYSA-N 1 0 324.424 3.507 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000876971805 1033194143 /nfs/dbraw/zinc/19/41/43/1033194143.db2.gz DNUSEOBQPOINFW-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(O)c1 ZINC000876964617 1033194197 /nfs/dbraw/zinc/19/41/97/1033194197.db2.gz LBUZCLNALCSSNO-OAHLLOKOSA-N 1 0 303.789 3.967 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000130849093 1024223101 /nfs/dbraw/zinc/22/31/01/1024223101.db2.gz YHEOSYAYSFPTEZ-CQSZACIVSA-N 1 0 312.413 3.722 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000130849296 1024223871 /nfs/dbraw/zinc/22/38/71/1024223871.db2.gz YHEOSYAYSFPTEZ-AWEZNQCLSA-N 1 0 312.413 3.722 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccnc1Cl ZINC000269065852 1024235241 /nfs/dbraw/zinc/23/52/41/1024235241.db2.gz YYFXSTDNQQBIBL-ZDUSSCGKSA-N 1 0 315.848 3.968 20 10 DHCDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CC[C@H](C)C1 ZINC000790476863 1024309628 /nfs/dbraw/zinc/30/96/28/1024309628.db2.gz FDVWZHALFPJFEF-HOCLYGCPSA-N 1 0 314.429 3.577 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c(O)c1C ZINC000790700006 1024355936 /nfs/dbraw/zinc/35/59/36/1024355936.db2.gz APSYUAPZBKCLBD-BEFAXECRSA-N 1 0 305.462 3.991 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000790702576 1024358705 /nfs/dbraw/zinc/35/87/05/1024358705.db2.gz SNOXMJRVPMNQPV-UGSOOPFHSA-N 1 0 305.462 3.717 20 10 DHCDRO CC(C)(O)c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790989397 1024411831 /nfs/dbraw/zinc/41/18/31/1024411831.db2.gz CKOSKCUBFBWPGL-UHFFFAOYSA-N 1 0 323.795 3.702 20 10 DHCDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000883381424 1024413653 /nfs/dbraw/zinc/41/36/53/1024413653.db2.gz MLBOANQTSSPNJZ-AWEZNQCLSA-N 1 0 315.457 3.881 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC001320419088 1024442563 /nfs/dbraw/zinc/44/25/63/1024442563.db2.gz BQKXFTVKENIOSR-WDEREUQCSA-N 1 0 313.825 3.817 20 10 DHCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC001320419076 1024443126 /nfs/dbraw/zinc/44/31/26/1024443126.db2.gz BQKXFTVKENIOSR-MNOVXSKESA-N 1 0 313.825 3.817 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000271168924 1024463353 /nfs/dbraw/zinc/46/33/53/1024463353.db2.gz PGFTUPLQUIFRQU-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000271168926 1024464565 /nfs/dbraw/zinc/46/45/65/1024464565.db2.gz PGFTUPLQUIFRQU-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443303 1024508262 /nfs/dbraw/zinc/50/82/62/1024508262.db2.gz GVDLWOUNTKXBLE-OALUTQOASA-N 1 0 316.420 3.666 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000317699527 1024614850 /nfs/dbraw/zinc/61/48/50/1024614850.db2.gz DBWCEIGHIUZPSM-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000282870134 1024655569 /nfs/dbraw/zinc/65/55/69/1024655569.db2.gz VDKBPEGBGKWKCQ-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000026315567 1024678377 /nfs/dbraw/zinc/67/83/77/1024678377.db2.gz ACWCDJBINSQLAK-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc2ccccc2c1O ZINC000321055111 1024704589 /nfs/dbraw/zinc/70/45/89/1024704589.db2.gz WTXJVUFEXRYMTK-HNNXBMFYSA-N 1 0 309.413 3.873 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)s3)CC2)c(C)c1 ZINC001204035543 1024724081 /nfs/dbraw/zinc/72/40/81/1024724081.db2.gz LFXDQSZRFOYZSR-UHFFFAOYSA-N 1 0 316.470 3.696 20 10 DHCDRO COc1cccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1O ZINC000112711092 1024783245 /nfs/dbraw/zinc/78/32/45/1024783245.db2.gz SPWLTISDHBELEQ-UHFFFAOYSA-N 1 0 318.442 3.725 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(OC)c(C)c2)c1 ZINC000897417311 1024787776 /nfs/dbraw/zinc/78/77/76/1024787776.db2.gz JLVWYAZUJTYRDD-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000113325261 1024796755 /nfs/dbraw/zinc/79/67/55/1024796755.db2.gz GUFHFLAOVRGZGK-UHFFFAOYSA-N 1 0 319.836 3.577 20 10 DHCDRO COC(C)(C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792841091 1024813301 /nfs/dbraw/zinc/81/33/01/1024813301.db2.gz ZEUVJFSBEWDWDO-UHFFFAOYSA-N 1 0 318.383 3.628 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000792894578 1024827370 /nfs/dbraw/zinc/82/73/70/1024827370.db2.gz ZPQRQSNVRJEJFI-MGPUTAFESA-N 1 0 312.457 3.651 20 10 DHCDRO c1cc2c(cc1CN[C@@H]1CC[N@@H+](C3CCCCC3)C1)CCCO2 ZINC001203181281 1033240148 /nfs/dbraw/zinc/24/01/48/1033240148.db2.gz SIFPMLZOCKHZLG-GOSISDBHSA-N 1 0 314.473 3.508 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCS2)c(C(F)(F)F)c1 ZINC000793008312 1024862795 /nfs/dbraw/zinc/86/27/95/1024862795.db2.gz FDNFRHWJDBAYSX-CYBMUJFWSA-N 1 0 318.408 3.757 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)c1O ZINC000927011136 1033243193 /nfs/dbraw/zinc/24/31/93/1033243193.db2.gz OMRBINMWBQVAFN-ZIAGYGMSSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000319991080 1024922997 /nfs/dbraw/zinc/92/29/97/1024922997.db2.gz GJBFIERMUXRNJQ-SFHVURJKSA-N 1 0 314.429 3.896 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000793260033 1024965708 /nfs/dbraw/zinc/96/57/08/1024965708.db2.gz XJIKFGFYGWQPBJ-SFHVURJKSA-N 1 0 316.489 3.781 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC000793267956 1024967436 /nfs/dbraw/zinc/96/74/36/1024967436.db2.gz CVCSHRXWFWPTAE-YOEHRIQHSA-N 1 0 315.388 3.966 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000128077736 1033251899 /nfs/dbraw/zinc/25/18/99/1033251899.db2.gz RKXHIETVZTVIHQ-SFHVURJKSA-N 1 0 316.445 3.729 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c(O)c1 ZINC000877140896 1033256337 /nfs/dbraw/zinc/25/63/37/1033256337.db2.gz ANOGOCXBXNVCAD-MRXNPFEDSA-N 1 0 301.361 3.843 20 10 DHCDRO CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccccc1O ZINC000121086965 1025070742 /nfs/dbraw/zinc/07/07/42/1025070742.db2.gz IKRXRQBVDSLZST-GOSISDBHSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2F)C[C@H](C)O1 ZINC000793520736 1025073623 /nfs/dbraw/zinc/07/36/23/1025073623.db2.gz ILOPQUMKGTWRBS-QWQRMKEZSA-N 1 0 320.452 3.718 20 10 DHCDRO CCOC1(C)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000793543674 1025087180 /nfs/dbraw/zinc/08/71/80/1025087180.db2.gz HASLOEYCDKWLGG-UHFFFAOYSA-N 1 0 303.446 3.662 20 10 DHCDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000107819668 1025122319 /nfs/dbraw/zinc/12/23/19/1025122319.db2.gz AYVCKNCQUNRVJB-UHFFFAOYSA-N 1 0 304.478 3.828 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000793609665 1025128141 /nfs/dbraw/zinc/12/81/41/1025128141.db2.gz QYFIXSSLUXFPAN-RBUKOAKNSA-N 1 0 320.452 3.815 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c(O)c1 ZINC000793619111 1025131873 /nfs/dbraw/zinc/13/18/73/1025131873.db2.gz FDBZJTSKYOGUFI-UHFFFAOYSA-N 1 0 317.351 3.955 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1C(C)C ZINC000884483364 1025136658 /nfs/dbraw/zinc/13/66/58/1025136658.db2.gz RINXOFHVHNQEPZ-HNAYVOBHSA-N 1 0 303.446 3.825 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)CCCC2 ZINC000793742609 1025159559 /nfs/dbraw/zinc/15/95/59/1025159559.db2.gz BXLDYUBPXZMVQY-IBGZPJMESA-N 1 0 315.457 3.520 20 10 DHCDRO CSC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000793787615 1025161621 /nfs/dbraw/zinc/16/16/21/1025161621.db2.gz DIFAGXMARXHKOP-CYBMUJFWSA-N 1 0 302.443 3.515 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COc3ccccc32)cc1Cl ZINC000825943953 1033268480 /nfs/dbraw/zinc/26/84/80/1033268480.db2.gz NUNDODATKRHXMB-ZDUSSCGKSA-N 1 0 303.789 3.620 20 10 DHCDRO Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172543252 1033276265 /nfs/dbraw/zinc/27/62/65/1033276265.db2.gz ODBSHJQKCRODQT-QZTJIDSGSA-N 1 0 311.425 3.956 20 10 DHCDRO c1ccc(N2CCCCC2)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000236669465 1025419147 /nfs/dbraw/zinc/41/91/47/1025419147.db2.gz VVAUNBLSMHOHHW-UHFFFAOYSA-N 1 0 322.452 3.902 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1F ZINC000136747718 1025482473 /nfs/dbraw/zinc/48/24/73/1025482473.db2.gz AAMHGJSJZQHELY-MRXNPFEDSA-N 1 0 320.452 3.863 20 10 DHCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCOC2(CCC2)C1 ZINC000886344804 1025596110 /nfs/dbraw/zinc/59/61/10/1025596110.db2.gz LRXDTZCWBDTWHW-INIZCTEOSA-N 1 0 309.837 3.875 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000886345152 1025596477 /nfs/dbraw/zinc/59/64/77/1025596477.db2.gz STODHANSLKASEC-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c(O)c1 ZINC000886344371 1025597472 /nfs/dbraw/zinc/59/74/72/1025597472.db2.gz CURMZZSGGPXJCC-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000129619080 1025623944 /nfs/dbraw/zinc/62/39/44/1025623944.db2.gz FGUGFPFYJUSKFO-INIZCTEOSA-N 1 0 300.446 3.610 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000886502732 1025657260 /nfs/dbraw/zinc/65/72/60/1025657260.db2.gz LUXBMBQVUOPBRM-IBGZPJMESA-N 1 0 312.461 3.507 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)c(O)c1OC ZINC000894029619 1025662971 /nfs/dbraw/zinc/66/29/71/1025662971.db2.gz NEPNMHWDJQUFEM-SNVBAGLBSA-N 1 0 321.339 3.620 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1cccc(C)c1O)c1ccccc1 ZINC000321816160 1025721923 /nfs/dbraw/zinc/72/19/23/1025721923.db2.gz ZZWSBHAWDXCSSP-LJQANCHMSA-N 1 0 312.457 3.873 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(Cl)c2OC)c1O ZINC000897479829 1025740827 /nfs/dbraw/zinc/74/08/27/1025740827.db2.gz JTCUUCRZNSQYPH-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCc1cccc(C[NH2+]Cc2cccc(Cl)c2OC)c1O ZINC000897480026 1025750520 /nfs/dbraw/zinc/75/05/20/1025750520.db2.gz ORBXNABGXUKVQG-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178668319 1025755282 /nfs/dbraw/zinc/75/52/82/1025755282.db2.gz JUCFPVUWPZDESE-GJZGRUSLSA-N 1 0 308.441 3.749 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000806132003 1025796462 /nfs/dbraw/zinc/79/64/62/1025796462.db2.gz QWLHKQGAPSQLFX-MSOLQXFVSA-N 1 0 302.487 3.518 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141069 1025801001 /nfs/dbraw/zinc/80/10/01/1025801001.db2.gz FOZIFMJCQJCUJV-IOASZLSFSA-N 1 0 310.869 3.959 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180802 1025834419 /nfs/dbraw/zinc/83/44/19/1025834419.db2.gz SSLXFZZQFMAMLC-ZFWWWQNUSA-N 1 0 319.832 3.781 20 10 DHCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC2(CCC2)C1 ZINC000886777015 1025896113 /nfs/dbraw/zinc/89/61/13/1025896113.db2.gz VXYVXQGKHLPAJI-MAUKXSAKSA-N 1 0 301.430 3.709 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(Cl)cc1O ZINC000841746835 1026033649 /nfs/dbraw/zinc/03/36/49/1026033649.db2.gz LMNLVJPCJCVABF-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093838692 1026128717 /nfs/dbraw/zinc/12/87/17/1026128717.db2.gz XFPRQQOTOXARRL-GOSISDBHSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)no1 ZINC000747448119 1026184492 /nfs/dbraw/zinc/18/44/92/1026184492.db2.gz BNTGMVGRUVBJRV-KRWDZBQOSA-N 1 0 309.369 3.574 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1F ZINC000894154125 1026198502 /nfs/dbraw/zinc/19/85/02/1026198502.db2.gz SHZKXDFVDCGVRO-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289860121 1026202713 /nfs/dbraw/zinc/20/27/13/1026202713.db2.gz QXQWQNJWUQWFNK-SJCJKPOMSA-N 1 0 303.427 3.592 20 10 DHCDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894162077 1026211259 /nfs/dbraw/zinc/21/12/59/1026211259.db2.gz XGFZFJGIQLXXHS-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1cccs1 ZINC000808221350 1026230826 /nfs/dbraw/zinc/23/08/26/1026230826.db2.gz FPUUIMGNSAXNAJ-INIZCTEOSA-N 1 0 317.410 3.766 20 10 DHCDRO CCOC1CC([N@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000808213833 1026234412 /nfs/dbraw/zinc/23/44/12/1026234412.db2.gz QTQUREMQOHGGGL-UHFFFAOYSA-N 1 0 321.461 3.698 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000290010032 1026280770 /nfs/dbraw/zinc/28/07/70/1026280770.db2.gz DPLQRGOGJVHRCB-QFYYESIMSA-N 1 0 319.788 3.666 20 10 DHCDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000808421307 1026284140 /nfs/dbraw/zinc/28/41/40/1026284140.db2.gz BEJQRWVNBQFAIV-KRWDZBQOSA-N 1 0 317.433 3.863 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(C)cc1O ZINC000279966068 1026285518 /nfs/dbraw/zinc/28/55/18/1026285518.db2.gz CPHXHBCBYBVJEF-KRWDZBQOSA-N 1 0 309.413 3.898 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1 ZINC000237071996 1026295447 /nfs/dbraw/zinc/29/54/47/1026295447.db2.gz FVBRZKOJKJAHCH-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000894193528 1026338717 /nfs/dbraw/zinc/33/87/17/1026338717.db2.gz RORLBRDRQJGKMR-IUODEOHRSA-N 1 0 301.386 3.715 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2CO)c1O ZINC000808680164 1026347427 /nfs/dbraw/zinc/34/74/27/1026347427.db2.gz ITLVRVXFGBMTJO-LBPRGKRZSA-N 1 0 305.805 3.697 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000808691187 1026349833 /nfs/dbraw/zinc/34/98/33/1026349833.db2.gz GBHLOBINCSAYDE-CZUORRHYSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2OCO3)c1O ZINC000808679156 1026356291 /nfs/dbraw/zinc/35/62/91/1026356291.db2.gz FKCMWKQUBQWZLB-NSHDSACASA-N 1 0 319.788 3.934 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CCCCC2)c1O ZINC000808705926 1026358732 /nfs/dbraw/zinc/35/87/32/1026358732.db2.gz BEBVZLYMLCHWOW-CYBMUJFWSA-N 1 0 311.853 3.947 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CC[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000808711066 1026360461 /nfs/dbraw/zinc/36/04/61/1026360461.db2.gz UJLQJCGISHZVDR-NRFANRHFSA-N 1 0 324.468 3.841 20 10 DHCDRO CCOC(CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)OCC ZINC000808714806 1026361974 /nfs/dbraw/zinc/36/19/74/1026361974.db2.gz CGBBFFLLDCEQSB-LBPRGKRZSA-N 1 0 315.841 3.794 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000808728142 1026371719 /nfs/dbraw/zinc/37/17/19/1026371719.db2.gz CQKUONFIWOILON-GDBMZVCRSA-N 1 0 301.361 3.576 20 10 DHCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000808725614 1026371975 /nfs/dbraw/zinc/37/19/75/1026371975.db2.gz YRTPPCKJEDPNPH-AWEZNQCLSA-N 1 0 305.462 3.984 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1O ZINC000808697675 1026373411 /nfs/dbraw/zinc/37/34/11/1026373411.db2.gz QWTHPIDUCKEFKI-IINYFYTJSA-N 1 0 311.834 3.800 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000808729015 1026381643 /nfs/dbraw/zinc/38/16/43/1026381643.db2.gz XXLBVDUACJRNBO-APWZRJJASA-N 1 0 310.441 3.970 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000237124280 1026531362 /nfs/dbraw/zinc/53/13/62/1026531362.db2.gz VVQXPQBUVCZNAS-UHFFFAOYSA-N 1 0 311.404 3.705 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(C)cc1O ZINC000280095502 1026587265 /nfs/dbraw/zinc/58/72/65/1026587265.db2.gz MSQNFTZTZPRZQL-QGZVFWFLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(C)cc1O ZINC000280117682 1026591138 /nfs/dbraw/zinc/59/11/38/1026591138.db2.gz OCAFPMSYLIFEPB-QGZVFWFLSA-N 1 0 303.377 3.573 20 10 DHCDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1O ZINC000809688483 1026595856 /nfs/dbraw/zinc/59/58/56/1026595856.db2.gz KHJZBCAYQMBLCY-UHFFFAOYSA-N 1 0 320.776 3.628 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000809710883 1026602257 /nfs/dbraw/zinc/60/22/57/1026602257.db2.gz BQGFWFVRCZRXME-UHFFFAOYSA-N 1 0 316.832 3.961 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000809767338 1026605088 /nfs/dbraw/zinc/60/50/88/1026605088.db2.gz ZXSIHLAKKGMCDW-UHFFFAOYSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc(F)cc2)c1O ZINC000809740332 1026611695 /nfs/dbraw/zinc/61/16/95/1026611695.db2.gz UKCNZZNYDZXPPD-CYBMUJFWSA-N 1 0 303.377 3.651 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1O ZINC000809747242 1026614752 /nfs/dbraw/zinc/61/47/52/1026614752.db2.gz MCXWMCWGCGKHJD-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758638 1026617396 /nfs/dbraw/zinc/61/73/96/1026617396.db2.gz SBVIQPCGXQSESQ-KBPBESRZSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000280227174 1026618164 /nfs/dbraw/zinc/61/81/64/1026618164.db2.gz VCFBZEDNEDUKQL-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1F ZINC000809758488 1026618335 /nfs/dbraw/zinc/61/83/35/1026618335.db2.gz OGPIRNWUKUIANZ-NVXWUHKLSA-N 1 0 320.452 3.530 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(C)cc1O ZINC000280249570 1026624619 /nfs/dbraw/zinc/62/46/19/1026624619.db2.gz WNNKDOVTWFRQNV-ATLSCFEFSA-N 1 0 301.430 3.699 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(C)cc1O ZINC000280302093 1026632643 /nfs/dbraw/zinc/63/26/43/1026632643.db2.gz ZYSKRRFFSZYABX-SJLPKXTDSA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)OCCc2sccc21 ZINC000810170184 1026692982 /nfs/dbraw/zinc/69/29/82/1026692982.db2.gz GNLKFVPRLXUVOF-MRXNPFEDSA-N 1 0 323.845 3.685 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810217225 1026710275 /nfs/dbraw/zinc/71/02/75/1026710275.db2.gz YXXVRNXMWGYTQL-OCCSQVGLSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207339 1026718338 /nfs/dbraw/zinc/71/83/38/1026718338.db2.gz JSPVMAYYQMZRPA-CQSZACIVSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000810261688 1026721135 /nfs/dbraw/zinc/72/11/35/1026721135.db2.gz XVKZDGSUEQKKFM-GDBMZVCRSA-N 1 0 308.441 3.892 20 10 DHCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810263069 1026722006 /nfs/dbraw/zinc/72/20/06/1026722006.db2.gz KSCKOWYKBGVYQH-KCQAQPDRSA-N 1 0 308.441 3.790 20 10 DHCDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810263072 1026722836 /nfs/dbraw/zinc/72/28/36/1026722836.db2.gz KSCKOWYKBGVYQH-YDHLFZDLSA-N 1 0 308.441 3.790 20 10 DHCDRO CC[C@]1(C[NH2+][C@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000810243646 1026727387 /nfs/dbraw/zinc/72/73/87/1026727387.db2.gz SJGGIGVFEKWYCK-FOIQADDNSA-N 1 0 311.425 3.921 20 10 DHCDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000810243749 1026727686 /nfs/dbraw/zinc/72/76/86/1026727686.db2.gz SJGGIGVFEKWYCK-YWZLYKJASA-N 1 0 311.425 3.921 20 10 DHCDRO CC[C@]1(C[NH2+][C@@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000810243647 1026728074 /nfs/dbraw/zinc/72/80/74/1026728074.db2.gz SJGGIGVFEKWYCK-MGPUTAFESA-N 1 0 311.425 3.921 20 10 DHCDRO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)cc(C)c3O)cn2c1 ZINC000811633725 1027045990 /nfs/dbraw/zinc/04/59/90/1027045990.db2.gz WAJDXBWMOLEBQT-UHFFFAOYSA-N 1 0 315.804 3.600 20 10 DHCDRO COc1ccc(O)c(CNc2c(C)c[nH+]c3c(C)cccc23)c1 ZINC000811805407 1027087616 /nfs/dbraw/zinc/08/76/16/1027087616.db2.gz SBIRRKPEPXNJSH-UHFFFAOYSA-N 1 0 308.381 3.600 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000271706933 1027124901 /nfs/dbraw/zinc/12/49/01/1027124901.db2.gz ULWOIGKHQWMOJD-KRWDZBQOSA-N 1 0 301.361 3.975 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000271866969 1027167800 /nfs/dbraw/zinc/16/78/00/1027167800.db2.gz LRBFERUUJBSKRC-OAHLLOKOSA-N 1 0 303.789 3.837 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc(N(C)C)c2ccccc12)c1ccccc1O ZINC000931558618 1027168911 /nfs/dbraw/zinc/16/89/11/1027168911.db2.gz VLISRCGFAXERIO-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000798936594 1027333437 /nfs/dbraw/zinc/33/34/37/1027333437.db2.gz CHNBSVOBPYQLHO-NVXWUHKLSA-N 1 0 304.478 3.592 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1C ZINC000812737075 1027381044 /nfs/dbraw/zinc/38/10/44/1027381044.db2.gz GIVKSNJSELUNDX-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000812735667 1027381299 /nfs/dbraw/zinc/38/12/99/1027381299.db2.gz UNOMURJOOBHIRJ-OAHLLOKOSA-N 1 0 322.456 3.880 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CC2 ZINC000295917587 1027490368 /nfs/dbraw/zinc/49/03/68/1027490368.db2.gz JPLRRMZKJHTJPV-KRWDZBQOSA-N 1 0 323.440 3.555 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)CC2 ZINC000296031285 1027524314 /nfs/dbraw/zinc/52/43/14/1027524314.db2.gz QDDPXJDGIALQTB-RTBURBONSA-N 1 0 322.452 3.806 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000296238715 1027583092 /nfs/dbraw/zinc/58/30/92/1027583092.db2.gz ASQBCTCDADRXHO-RYUDHWBXSA-N 1 0 305.340 3.709 20 10 DHCDRO CC(C)c1nc(CC[NH2+][C@H]2CCc3cccc(O)c32)cs1 ZINC000296237817 1027584407 /nfs/dbraw/zinc/58/44/07/1027584407.db2.gz ARLXRHNDHZRTEB-AWEZNQCLSA-N 1 0 302.443 3.792 20 10 DHCDRO COCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000296281275 1027594946 /nfs/dbraw/zinc/59/49/46/1027594946.db2.gz CSOVIDMGOUYALT-LSDHHAIUSA-N 1 0 301.386 3.648 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000813331769 1027609023 /nfs/dbraw/zinc/60/90/23/1027609023.db2.gz UMQQHLSEQZDVPB-SECBINFHSA-N 1 0 311.303 3.669 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000813331833 1027609338 /nfs/dbraw/zinc/60/93/38/1027609338.db2.gz VYXOUHLUPTUHKS-CYBMUJFWSA-N 1 0 323.396 3.642 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000813331834 1027609553 /nfs/dbraw/zinc/60/95/53/1027609553.db2.gz VYXOUHLUPTUHKS-ZDUSSCGKSA-N 1 0 323.396 3.642 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296470216 1027647839 /nfs/dbraw/zinc/64/78/39/1027647839.db2.gz OJTHKPIRHNHWHB-BLLLJJGKSA-N 1 0 313.445 3.990 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000296525458 1027660737 /nfs/dbraw/zinc/66/07/37/1027660737.db2.gz RIFHVFJXAODJBY-LMMKCTJWSA-N 1 0 309.409 3.889 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000773832733 1027666526 /nfs/dbraw/zinc/66/65/26/1027666526.db2.gz BFFRVGXLPYZTHH-UHFFFAOYSA-N 1 0 303.475 3.933 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000773889528 1027677661 /nfs/dbraw/zinc/67/76/61/1027677661.db2.gz XCDHULMWRUXARB-AWEZNQCLSA-N 1 0 300.368 3.917 20 10 DHCDRO C[C@@H]1C[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000778995693 1027734167 /nfs/dbraw/zinc/73/41/67/1027734167.db2.gz FRSJEOZTMHZCNS-WBVHZDCISA-N 1 0 302.462 3.532 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1O ZINC000364380887 1027817385 /nfs/dbraw/zinc/81/73/85/1027817385.db2.gz SLLXFDDIRKBGDH-NVXWUHKLSA-N 1 0 313.445 3.768 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000364432342 1027820966 /nfs/dbraw/zinc/82/09/66/1027820966.db2.gz AVZUBOUFLDZUBW-UVFQYZLESA-N 1 0 310.441 3.624 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000364591648 1027849470 /nfs/dbraw/zinc/84/94/70/1027849470.db2.gz UFJFGSWNHPAJDR-KLHJMIIUSA-N 1 0 324.468 3.699 20 10 DHCDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2O)C1 ZINC000364622941 1027856478 /nfs/dbraw/zinc/85/64/78/1027856478.db2.gz MLHLWJXPJVYNJZ-NVXWUHKLSA-N 1 0 313.445 3.939 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000527772441 1027891777 /nfs/dbraw/zinc/89/17/77/1027891777.db2.gz MPUKNTTXZHGFKF-SFHVURJKSA-N 1 0 312.413 3.817 20 10 DHCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)cc1C ZINC000814229884 1027965038 /nfs/dbraw/zinc/96/50/38/1027965038.db2.gz GJZREZLEYRAKHX-SFHVURJKSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cc(C[N@H+](C)CC2CCOCC2)ccc1N1CCCCC1 ZINC000828589721 1028030329 /nfs/dbraw/zinc/03/03/29/1028030329.db2.gz KLKGVSMTNUZQHI-UHFFFAOYSA-N 1 0 316.489 3.844 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C2CC2)cn1 ZINC000528042619 1028057306 /nfs/dbraw/zinc/05/73/06/1028057306.db2.gz FZWGTXWHTIPCED-ZMZPIMSZSA-N 1 0 316.376 3.737 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccccc1O ZINC000366496681 1028087993 /nfs/dbraw/zinc/08/79/93/1028087993.db2.gz YJPZUEMBVCZQNE-WCQYABFASA-N 1 0 302.443 3.928 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000779058379 1028104242 /nfs/dbraw/zinc/10/42/42/1028104242.db2.gz RLGBEKMAKZIQRE-OAHLLOKOSA-N 1 0 305.324 3.674 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000779063200 1028128012 /nfs/dbraw/zinc/12/80/12/1028128012.db2.gz BXPGVGYTCALUDW-SNRMKQJTSA-N 1 0 316.489 3.877 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000779064947 1028138618 /nfs/dbraw/zinc/13/86/18/1028138618.db2.gz LOYRGYCSLKFZNW-UHFFFAOYSA-N 1 0 318.779 3.998 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1C ZINC000779083365 1028200924 /nfs/dbraw/zinc/20/09/24/1028200924.db2.gz LBOFDBBOAPKSGU-OXQOHEQNSA-N 1 0 313.441 3.957 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccsc3C)CC2)cc1 ZINC000815122010 1028365826 /nfs/dbraw/zinc/36/58/26/1028365826.db2.gz PXIZTMQYPGWFNJ-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1N(C)C ZINC000815118500 1028367694 /nfs/dbraw/zinc/36/76/94/1028367694.db2.gz WJGZWDXRRHULPL-FUHWJXTLSA-N 1 0 304.478 3.577 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000815093791 1028377143 /nfs/dbraw/zinc/37/71/43/1028377143.db2.gz SVLNGLZJXPTZFO-RDTXWAMCSA-N 1 0 324.424 3.883 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000815102768 1028380240 /nfs/dbraw/zinc/38/02/40/1028380240.db2.gz LDTMEGJJCABHKE-AWEZNQCLSA-N 1 0 300.368 3.835 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000815109541 1028384076 /nfs/dbraw/zinc/38/40/76/1028384076.db2.gz GEQIIURYHUZWNK-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151834 1028384157 /nfs/dbraw/zinc/38/41/57/1028384157.db2.gz VBDCPLUANFWZEP-UHFFFAOYSA-N 1 0 314.832 3.540 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1C ZINC000368653550 1028389797 /nfs/dbraw/zinc/38/97/97/1028389797.db2.gz SUXHQMYPYMWRNW-GDIGMMSISA-N 1 0 303.446 3.865 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000368708278 1028395969 /nfs/dbraw/zinc/39/59/69/1028395969.db2.gz SHBHYLRVQVLUBD-UHFFFAOYSA-N 1 0 311.425 3.621 20 10 DHCDRO COCC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000815148362 1028401514 /nfs/dbraw/zinc/40/15/14/1028401514.db2.gz UOHRCVZMWYEGPG-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2cn(C)c3cc(C)ccc23)c1 ZINC000188873547 1028538846 /nfs/dbraw/zinc/53/88/46/1028538846.db2.gz PERHQBGTYNSPLX-UHFFFAOYSA-N 1 0 324.424 3.533 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c(O)c1 ZINC000815556403 1028542523 /nfs/dbraw/zinc/54/25/23/1028542523.db2.gz UQLRBUCMYQUMFT-KRWDZBQOSA-N 1 0 324.468 3.718 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000815564241 1028545745 /nfs/dbraw/zinc/54/57/45/1028545745.db2.gz CPACFJIPYWKJIY-AEFFLSMTSA-N 1 0 313.441 3.511 20 10 DHCDRO COC[C@@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815566380 1028546159 /nfs/dbraw/zinc/54/61/59/1028546159.db2.gz RPXPWDSQUGKGJC-QFBILLFUSA-N 1 0 313.441 3.938 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000815595945 1028562425 /nfs/dbraw/zinc/56/24/25/1028562425.db2.gz GQOOLVXZRHUSOQ-JLCFBVMHSA-N 1 0 317.454 3.597 20 10 DHCDRO COc1cc(CC[NH2+][C@@H](C)c2ccccc2O)ccc1Cl ZINC000815658118 1028583529 /nfs/dbraw/zinc/58/35/29/1028583529.db2.gz TWPFFHXTNUDBIT-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cc(CC[NH2+][C@H](C)c2ccccc2O)ccc1Cl ZINC000815658117 1028585188 /nfs/dbraw/zinc/58/51/88/1028585188.db2.gz TWPFFHXTNUDBIT-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000779165601 1028585585 /nfs/dbraw/zinc/58/55/85/1028585585.db2.gz JRDFTPJMDYHKIT-IBGZPJMESA-N 1 0 311.425 3.795 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815642953 1028589098 /nfs/dbraw/zinc/58/90/98/1028589098.db2.gz PHKUPWLRMKQOGL-GHMZBOCLSA-N 1 0 306.793 3.866 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)c2ccccc21 ZINC000370374501 1028596231 /nfs/dbraw/zinc/59/62/31/1028596231.db2.gz ODFABDUWNNKRBK-KDOFPFPSSA-N 1 0 324.424 3.849 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC001170805741 1028649100 /nfs/dbraw/zinc/64/91/00/1028649100.db2.gz WFICUHRWBCXBDZ-KBXCAEBGSA-N 1 0 303.446 3.791 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000779202603 1028703972 /nfs/dbraw/zinc/70/39/72/1028703972.db2.gz PZBXTZGOVMVFOR-GOSISDBHSA-N 1 0 304.478 3.660 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371410876 1028704049 /nfs/dbraw/zinc/70/40/49/1028704049.db2.gz IAMFXYCKSCJMHR-INIZCTEOSA-N 1 0 319.408 3.715 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000371411184 1028706075 /nfs/dbraw/zinc/70/60/75/1028706075.db2.gz MEGCOABJZMWLPC-GOSISDBHSA-N 1 0 324.472 3.702 20 10 DHCDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000189918854 1028711777 /nfs/dbraw/zinc/71/17/77/1028711777.db2.gz RPSOLLRZYKRBDU-GFCCVEGCSA-N 1 0 309.475 3.723 20 10 DHCDRO CCCn1c(C[NH2+]Cc2ccc(N(C)C)cc2)nc2ccccc21 ZINC000077290699 1028823597 /nfs/dbraw/zinc/82/35/97/1028823597.db2.gz YVRFVMZKGKQTEY-UHFFFAOYSA-N 1 0 322.456 3.802 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3nccs3)CC2)c1 ZINC000372598378 1028873204 /nfs/dbraw/zinc/87/32/04/1028873204.db2.gz CTDRKPRTAJXXDM-LBPRGKRZSA-N 1 0 318.442 3.798 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494481 1028898989 /nfs/dbraw/zinc/89/89/89/1028898989.db2.gz NFIFDHBPFFAOBZ-IBGZPJMESA-N 1 0 324.468 3.996 20 10 DHCDRO Oc1c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)ccc2ccccc21 ZINC000816499322 1028904811 /nfs/dbraw/zinc/90/48/11/1028904811.db2.gz LJZGGLQHYJOLBM-QGZVFWFLSA-N 1 0 307.397 3.996 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503544 1028908458 /nfs/dbraw/zinc/90/84/58/1028908458.db2.gz CAHFEZUCNZWDSR-GOSISDBHSA-N 1 0 310.441 3.606 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)ccc1F ZINC000816499699 1028909157 /nfs/dbraw/zinc/90/91/57/1028909157.db2.gz YFGAIDBFMSSBKH-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO COc1cccc(CC[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816535607 1028921760 /nfs/dbraw/zinc/92/17/60/1028921760.db2.gz UKSPIGHQQZMQKT-UHFFFAOYSA-N 1 0 307.393 3.886 20 10 DHCDRO Oc1c(C[NH2+]CCOc2ccccc2F)ccc2ccccc21 ZINC000816528624 1028922470 /nfs/dbraw/zinc/92/24/70/1028922470.db2.gz KOJQBEAURZQWFH-UHFFFAOYSA-N 1 0 311.356 3.853 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816531497 1028922696 /nfs/dbraw/zinc/92/26/96/1028922696.db2.gz TVAOOGCLVJNNQP-UHFFFAOYSA-N 1 0 306.409 3.901 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC[C@@H]1C ZINC000816535332 1028924694 /nfs/dbraw/zinc/92/46/94/1028924694.db2.gz MCXXJVUQKCNKQG-JKSUJKDBSA-N 1 0 312.457 3.898 20 10 DHCDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816551031 1028931240 /nfs/dbraw/zinc/93/12/40/1028931240.db2.gz MDZGLFPWAIILJP-FQEVSTJZSA-N 1 0 307.393 3.543 20 10 DHCDRO CCCN(Cc1cc(OC)ccc1F)c1ccc(C[NH3+])cc1 ZINC000816592654 1028938523 /nfs/dbraw/zinc/93/85/23/1028938523.db2.gz QGYOPRMKQNOQQQ-UHFFFAOYSA-N 1 0 302.393 3.710 20 10 DHCDRO OCC[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1cccs1 ZINC000816552819 1028942127 /nfs/dbraw/zinc/94/21/27/1028942127.db2.gz XXUHSIAABRZZAD-INIZCTEOSA-N 1 0 313.422 3.820 20 10 DHCDRO CC(C)[NH+](CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816555936 1028942191 /nfs/dbraw/zinc/94/21/91/1028942191.db2.gz URGFTYFIMXFOJA-UHFFFAOYSA-N 1 0 316.848 3.783 20 10 DHCDRO CCCC[N@H+](Cc1cnn(C)c1Cl)Cc1ccccc1O ZINC000816601217 1028954529 /nfs/dbraw/zinc/95/45/29/1028954529.db2.gz VJVWOPMUSRTXQC-UHFFFAOYSA-N 1 0 307.825 3.581 20 10 DHCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816601346 1028954812 /nfs/dbraw/zinc/95/48/12/1028954812.db2.gz YJKGMNBHFQINMD-FQEVSTJZSA-N 1 0 321.420 3.985 20 10 DHCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816599804 1028955434 /nfs/dbraw/zinc/95/54/34/1028955434.db2.gz ZDXHEAYWGYVPPZ-IBGZPJMESA-N 1 0 321.420 3.629 20 10 DHCDRO C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)c2ccccc2C1 ZINC000816618161 1028962745 /nfs/dbraw/zinc/96/27/45/1028962745.db2.gz QBHHKYYWWMGQAD-UHFFFAOYSA-N 1 0 320.795 3.637 20 10 DHCDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000816619856 1028967152 /nfs/dbraw/zinc/96/71/52/1028967152.db2.gz YHZGDOYNVADHEL-QGZVFWFLSA-N 1 0 311.425 3.953 20 10 DHCDRO Oc1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816656306 1028979739 /nfs/dbraw/zinc/97/97/39/1028979739.db2.gz NIHZCQSAOXOCEB-FQEVSTJZSA-N 1 0 323.436 3.936 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1F ZINC000816630675 1028984418 /nfs/dbraw/zinc/98/44/18/1028984418.db2.gz NSQXRRJSODULCN-GOSISDBHSA-N 1 0 320.452 3.551 20 10 DHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CCC2 ZINC000373254868 1028988827 /nfs/dbraw/zinc/98/88/27/1028988827.db2.gz HDUSQRWOYWURQH-STQMWFEESA-N 1 0 319.836 3.779 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C)cc1O ZINC000373564697 1029079694 /nfs/dbraw/zinc/07/96/94/1029079694.db2.gz UXZIFVWPLGCNFV-KRWDZBQOSA-N 1 0 313.445 3.517 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817281611 1029113276 /nfs/dbraw/zinc/11/32/76/1029113276.db2.gz NATSXJIYHKQSFM-AWEZNQCLSA-N 1 0 300.368 3.917 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000817412229 1029152796 /nfs/dbraw/zinc/15/27/96/1029152796.db2.gz GSYMNPSIUWXFCI-GFCCVEGCSA-N 1 0 317.351 3.955 20 10 DHCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000817418699 1029154519 /nfs/dbraw/zinc/15/45/19/1029154519.db2.gz CHBAJONWVSMAGO-GOSISDBHSA-N 1 0 316.489 3.661 20 10 DHCDRO CC[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000155247660 1029210044 /nfs/dbraw/zinc/21/00/44/1029210044.db2.gz CMQVRHRSOMHHCM-MJGOQNOKSA-N 1 0 312.457 3.606 20 10 DHCDRO CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccccc1O ZINC000155375937 1029229585 /nfs/dbraw/zinc/22/95/85/1029229585.db2.gz LPRCBLRCVDIXJY-KRWDZBQOSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000817938051 1029281317 /nfs/dbraw/zinc/28/13/17/1029281317.db2.gz CKTWTVSTCDOSLU-OXQOHEQNSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817938348 1029282457 /nfs/dbraw/zinc/28/24/57/1029282457.db2.gz JEENDUJWLWOCOT-UZLBHIALSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817938347 1029283232 /nfs/dbraw/zinc/28/32/32/1029283232.db2.gz JEENDUJWLWOCOT-OXQOHEQNSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817938784 1029285150 /nfs/dbraw/zinc/28/51/50/1029285150.db2.gz SIIWKQFJUXCEKF-SMDDNHRTSA-N 1 0 323.893 3.818 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(OC(F)F)c1 ZINC000817955874 1029293052 /nfs/dbraw/zinc/29/30/52/1029293052.db2.gz JXQAJOPXCPIBOK-LBPRGKRZSA-N 1 0 306.356 3.764 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000817955339 1029295227 /nfs/dbraw/zinc/29/52/27/1029295227.db2.gz VXCGXSISBKEOHC-AUUYWEPGSA-N 1 0 310.441 3.622 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000817955660 1029295376 /nfs/dbraw/zinc/29/53/76/1029295376.db2.gz DSQNKHCLQLZMQT-QGZVFWFLSA-N 1 0 316.832 3.968 20 10 DHCDRO CCC[NH2+]CCN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000817963246 1029300869 /nfs/dbraw/zinc/30/08/69/1029300869.db2.gz SUJBRQNSPJYEDG-IBGZPJMESA-N 1 0 312.457 3.655 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959419 1029301258 /nfs/dbraw/zinc/30/12/58/1029301258.db2.gz REMFYFNMXMUJNE-NEPJUHHUSA-N 1 0 305.249 3.723 20 10 DHCDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959435 1029301702 /nfs/dbraw/zinc/30/17/02/1029301702.db2.gz RGVDXZSNKKNOBE-QFBILLFUSA-N 1 0 303.494 3.701 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817970277 1029311535 /nfs/dbraw/zinc/31/15/35/1029311535.db2.gz QHTXQZVSFWMONS-IVZWLZJFSA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817976766 1029314737 /nfs/dbraw/zinc/31/47/37/1029314737.db2.gz SXFSRLATRDXDKI-WDEREUQCSA-N 1 0 304.356 3.579 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817977219 1029315029 /nfs/dbraw/zinc/31/50/29/1029315029.db2.gz FAVANSQPHHZOII-CABZTGNLSA-N 1 0 305.249 3.867 20 10 DHCDRO Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000817980799 1029316197 /nfs/dbraw/zinc/31/61/97/1029316197.db2.gz NUAMKLSWFWQDEU-ABAIWWIYSA-N 1 0 300.377 3.760 20 10 DHCDRO Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000817980804 1029317747 /nfs/dbraw/zinc/31/77/47/1029317747.db2.gz NUAMKLSWFWQDEU-IAQYHMDHSA-N 1 0 300.377 3.760 20 10 DHCDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984879 1029320758 /nfs/dbraw/zinc/32/07/58/1029320758.db2.gz BHHGBVSKTRDDEG-JTQLQIEISA-N 1 0 315.244 3.659 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncn2C(C)C)cc1 ZINC000818179618 1029348185 /nfs/dbraw/zinc/34/81/85/1029348185.db2.gz CYZFBFUUDPYJOA-UHFFFAOYSA-N 1 0 300.450 3.600 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CC3(C)C)C2)cc1 ZINC000818221488 1029355996 /nfs/dbraw/zinc/35/59/96/1029355996.db2.gz NHDBRJWUXUHAQE-RKVPGOIHSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CC3(C)C)C2)cc1 ZINC000818221487 1029356644 /nfs/dbraw/zinc/35/66/44/1029356644.db2.gz NHDBRJWUXUHAQE-IIDMSEBBSA-N 1 0 302.462 3.546 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000818237751 1029360091 /nfs/dbraw/zinc/36/00/91/1029360091.db2.gz ANRCSLJFJSHDSX-RBUKOAKNSA-N 1 0 314.473 3.582 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)ccc21 ZINC000374498009 1029363477 /nfs/dbraw/zinc/36/34/77/1029363477.db2.gz SXJOEEBLHHGGJG-FPOVZHCZSA-N 1 0 322.452 3.546 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccccc1O ZINC000156065704 1029368333 /nfs/dbraw/zinc/36/83/33/1029368333.db2.gz OIRAXDCWECLESV-KBXCAEBGSA-N 1 0 315.413 3.909 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccccc1O ZINC000156065591 1029370633 /nfs/dbraw/zinc/37/06/33/1029370633.db2.gz OIRAXDCWECLESV-KSSFIOAISA-N 1 0 315.413 3.909 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CCC3CC3)C2)cc1 ZINC000818341948 1029372631 /nfs/dbraw/zinc/37/26/31/1029372631.db2.gz JKDRSPONTSILFL-RDJZCZTQSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(C(C)C)C3)C2)cc1 ZINC000818342053 1029373394 /nfs/dbraw/zinc/37/33/94/1029373394.db2.gz KUXXQPNZUYPZBM-KLAILNCOSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000818342969 1029375386 /nfs/dbraw/zinc/37/53/86/1029375386.db2.gz XERQQCCWXHOVEG-QRWLVFNGSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000818344138 1029375420 /nfs/dbraw/zinc/37/54/20/1029375420.db2.gz JPNDDOHBCFHSOX-JKSUJKDBSA-N 1 0 314.429 3.774 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000374675620 1029430476 /nfs/dbraw/zinc/43/04/76/1029430476.db2.gz FGEJFVDCCAFJEG-CQSZACIVSA-N 1 0 316.470 3.769 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000156381564 1029445974 /nfs/dbraw/zinc/44/59/74/1029445974.db2.gz KRVXVEUSBBLGHL-VQIMIIECSA-N 1 0 302.462 3.897 20 10 DHCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000805749858 1029739668 /nfs/dbraw/zinc/73/96/68/1029739668.db2.gz BCXKWEYMXYDQQP-OAHLLOKOSA-N 1 0 320.477 3.773 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000290206242 1029947047 /nfs/dbraw/zinc/94/70/47/1029947047.db2.gz QBNCHAXKHQWFSN-MRXNPFEDSA-N 1 0 321.804 3.532 20 10 DHCDRO Cc1ncc([C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000865703104 1029982936 /nfs/dbraw/zinc/98/29/36/1029982936.db2.gz ULQXJRHXOJCESN-GFUIURDCSA-N 1 0 301.459 3.882 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865759994 1030008413 /nfs/dbraw/zinc/00/84/13/1030008413.db2.gz WZJTXFJCEPKMDD-DYIICSRESA-N 1 0 314.473 3.561 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC23CCOCC3)cc1 ZINC000865778264 1030019885 /nfs/dbraw/zinc/01/98/85/1030019885.db2.gz ROZRCLHBJYCCJT-JXCVUKRWSA-N 1 0 314.473 3.562 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000290454587 1030057231 /nfs/dbraw/zinc/05/72/31/1030057231.db2.gz MOFALRMFXZGYHD-UHFFFAOYSA-N 1 0 318.804 3.614 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CC)c2ccncc2)c1 ZINC000290617026 1030129268 /nfs/dbraw/zinc/12/92/68/1030129268.db2.gz XAIJJCLLLBRNBQ-KRWDZBQOSA-N 1 0 300.402 3.769 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc2c1OCO2 ZINC000924649360 1030148850 /nfs/dbraw/zinc/14/88/50/1030148850.db2.gz QMXUMDZLSAKEMG-OAHLLOKOSA-N 1 0 324.424 3.866 20 10 DHCDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000120964982 1030177383 /nfs/dbraw/zinc/17/73/83/1030177383.db2.gz PEQQTCDIUJQRKB-INIZCTEOSA-N 1 0 321.461 3.642 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccnn1C1CCC1 ZINC000924869620 1030212698 /nfs/dbraw/zinc/21/26/98/1030212698.db2.gz HZWHLWDCNQUXRB-OAHLLOKOSA-N 1 0 324.472 3.841 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1O ZINC000866477783 1030311811 /nfs/dbraw/zinc/31/18/11/1030311811.db2.gz BSFWYOSIGVAOOB-LBPRGKRZSA-N 1 0 317.816 3.969 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)C[C@H]3C)cc2)CC1 ZINC000823510305 1030319247 /nfs/dbraw/zinc/31/92/47/1030319247.db2.gz ZKIFEZAYCKLUNW-IAGOWNOFSA-N 1 0 316.489 3.922 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000866512735 1030337047 /nfs/dbraw/zinc/33/70/47/1030337047.db2.gz OKRXSVOOTBDYCX-YVOWVQIISA-N 1 0 319.420 3.874 20 10 DHCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823619420 1030343462 /nfs/dbraw/zinc/34/34/62/1030343462.db2.gz GARAADUWHAPLGM-SFHVURJKSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCSCCC(F)(F)F)c1O ZINC000866543331 1030366332 /nfs/dbraw/zinc/36/63/32/1030366332.db2.gz UVHUGRKKMLXFNG-SNVBAGLBSA-N 1 0 323.380 3.737 20 10 DHCDRO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(Cl)cc1O ZINC000866568539 1030382208 /nfs/dbraw/zinc/38/22/08/1030382208.db2.gz XKMWWZQPFXJORQ-MRVPVSSYSA-N 1 0 315.751 3.568 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000772875138 1030392577 /nfs/dbraw/zinc/39/25/77/1030392577.db2.gz KKNQZSUNWZOBOI-UHFFFAOYSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000866608940 1030397398 /nfs/dbraw/zinc/39/73/98/1030397398.db2.gz IZGYDIKOGFHBNP-RAIGVLPGSA-N 1 0 315.335 3.949 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000823841519 1030407494 /nfs/dbraw/zinc/40/74/94/1030407494.db2.gz FWRNUXFDUXMJNH-MIFYACCESA-N 1 0 308.441 3.718 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000823841518 1030408395 /nfs/dbraw/zinc/40/83/95/1030408395.db2.gz FWRNUXFDUXMJNH-FOLVSLTJSA-N 1 0 308.441 3.718 20 10 DHCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000823836264 1030408807 /nfs/dbraw/zinc/40/88/07/1030408807.db2.gz CDOBECSKYNCCNU-UHFFFAOYSA-N 1 0 309.457 3.916 20 10 DHCDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N(C)C)cc1 ZINC000777565306 1030409915 /nfs/dbraw/zinc/40/99/15/1030409915.db2.gz BVGNUDXZCGGWMQ-AWEZNQCLSA-N 1 0 307.401 3.506 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000823843227 1030410484 /nfs/dbraw/zinc/41/04/84/1030410484.db2.gz YVIICGDXYDFOMY-JKSUJKDBSA-N 1 0 308.441 3.719 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866640972 1030417440 /nfs/dbraw/zinc/41/74/40/1030417440.db2.gz NXMMQDRHBXKIKA-LZQZEXGQSA-N 1 0 302.462 3.631 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000823871650 1030418503 /nfs/dbraw/zinc/41/85/03/1030418503.db2.gz LGHKQFBUVLFCDC-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc(O)c1C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000780780659 1030453254 /nfs/dbraw/zinc/45/32/54/1030453254.db2.gz YGYMHVAAOCQXOP-UHFFFAOYSA-N 1 0 309.409 3.999 20 10 DHCDRO Cc1ccc([C@@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1C ZINC000925755165 1030483453 /nfs/dbraw/zinc/48/34/53/1030483453.db2.gz TXRXRGHVCBWEPB-CQSZACIVSA-N 1 0 312.413 3.547 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291443776 1030505370 /nfs/dbraw/zinc/50/53/70/1030505370.db2.gz CBNVFMNKJJKEKF-VIFPVBQESA-N 1 0 305.752 3.531 20 10 DHCDRO CC(C)(C)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000066992367 1030520879 /nfs/dbraw/zinc/52/08/79/1030520879.db2.gz YPTLJDWNJCWUSG-UHFFFAOYSA-N 1 0 312.404 3.893 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2F)c1 ZINC000291690873 1030600154 /nfs/dbraw/zinc/60/01/54/1030600154.db2.gz JAPZFTXXFPYKTR-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824715535 1030619109 /nfs/dbraw/zinc/61/91/09/1030619109.db2.gz LFZPAEJHACPSKR-TZMCWYRMSA-N 1 0 300.368 3.915 20 10 DHCDRO COC[C@@H](C[NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1 ZINC000824758041 1030639553 /nfs/dbraw/zinc/63/95/53/1030639553.db2.gz GUPXTJSFUWJBTD-MRXNPFEDSA-N 1 0 319.832 3.874 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824799391 1030641407 /nfs/dbraw/zinc/64/14/07/1030641407.db2.gz NFFMPOKBATZOGM-PMUMKWKESA-N 1 0 307.434 3.503 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000824921083 1030673781 /nfs/dbraw/zinc/67/37/81/1030673781.db2.gz DXKJHEONZGBIMQ-XDTLVQLUSA-N 1 0 305.340 3.611 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000825070819 1030717178 /nfs/dbraw/zinc/71/71/78/1030717178.db2.gz MSJPFQSWAWHUHC-UHFFFAOYSA-N 1 0 304.821 3.710 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1Cl ZINC000825145138 1030733450 /nfs/dbraw/zinc/73/34/50/1030733450.db2.gz WCBFXPVWRLOPON-UHFFFAOYSA-N 1 0 303.789 3.573 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825145204 1030733799 /nfs/dbraw/zinc/73/37/99/1030733799.db2.gz WZPUFVFKKUSMFD-UHFFFAOYSA-N 1 0 305.752 3.686 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cncc(Cl)c1 ZINC001136994490 1030735542 /nfs/dbraw/zinc/73/55/42/1030735542.db2.gz YGODNFRPQQKTKX-UHFFFAOYSA-N 1 0 315.848 3.967 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501448 1030827210 /nfs/dbraw/zinc/82/72/10/1030827210.db2.gz PKUWJTUNBGNCQO-UHFFFAOYSA-N 1 0 314.429 3.725 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000122742456 1030847851 /nfs/dbraw/zinc/84/78/51/1030847851.db2.gz IUZHQVHDBDEIHL-UHFFFAOYSA-N 1 0 323.484 3.820 20 10 DHCDRO CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCC2 ZINC000179195659 1030852176 /nfs/dbraw/zinc/85/21/76/1030852176.db2.gz XEEWRHGEBUBSAQ-UHFFFAOYSA-N 1 0 316.470 3.791 20 10 DHCDRO Cc1cc(CN[C@H](C)c2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000926763659 1030910720 /nfs/dbraw/zinc/91/07/20/1030910720.db2.gz DKCQDGBDDZPJEA-OAHLLOKOSA-N 1 0 308.429 3.678 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000926765692 1030911131 /nfs/dbraw/zinc/91/11/31/1030911131.db2.gz ZOQDBGXBKWEYKB-OAHLLOKOSA-N 1 0 306.413 3.735 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cnc3ccccc3c1)CC2 ZINC000926922719 1030996887 /nfs/dbraw/zinc/99/68/87/1030996887.db2.gz KKUPJZPMGNITIG-GOSISDBHSA-N 1 0 304.393 3.760 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1O ZINC000926932077 1031002106 /nfs/dbraw/zinc/00/21/06/1031002106.db2.gz SXGTYBJIMWKTAO-CYBMUJFWSA-N 1 0 302.443 3.621 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc2c(cc1O)CCCC2 ZINC000926937228 1031005948 /nfs/dbraw/zinc/00/59/48/1031005948.db2.gz NYELTMKMHPJYHH-RNJTYBCJSA-N 1 0 313.441 3.513 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000927036594 1031046562 /nfs/dbraw/zinc/04/65/62/1031046562.db2.gz DGICBPSYFHTSAY-UQHVZDHRSA-N 1 0 306.425 3.589 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)n1 ZINC000927054404 1031052682 /nfs/dbraw/zinc/05/26/82/1031052682.db2.gz XZCOJIIRTGRTQH-BFHYXJOUSA-N 1 0 315.417 3.633 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(C)c1OC ZINC000927123813 1031105033 /nfs/dbraw/zinc/10/50/33/1031105033.db2.gz BTFQWEUPIFHIMG-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+]C3(C4CCC4)CC3)cc2)CC1 ZINC000844417927 1031115884 /nfs/dbraw/zinc/11/58/84/1031115884.db2.gz MUAOKKTXGQWNSA-UHFFFAOYSA-N 1 0 314.473 3.724 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135792 1031226213 /nfs/dbraw/zinc/22/62/13/1031226213.db2.gz OYFPHKNXWSOJKL-QGZVFWFLSA-N 1 0 313.828 3.961 20 10 DHCDRO c1ccc2c(c1)CC[C@H](CC[NH2+]Cc1ccc3c(c1)CCO3)N2 ZINC000844904451 1031390013 /nfs/dbraw/zinc/39/00/13/1031390013.db2.gz MRBNWBCHFOPNBE-GOSISDBHSA-N 1 0 308.425 3.528 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c(O)c1 ZINC000293248259 1031398130 /nfs/dbraw/zinc/39/81/30/1031398130.db2.gz BKHKSNZFZBTOPR-GFCCVEGCSA-N 1 0 301.415 3.569 20 10 DHCDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Cl)ccc1O ZINC000844920882 1031401421 /nfs/dbraw/zinc/40/14/21/1031401421.db2.gz NTZOWIWHAPFSIP-SMDDNHRTSA-N 1 0 302.805 3.733 20 10 DHCDRO CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000844921899 1031401766 /nfs/dbraw/zinc/40/17/66/1031401766.db2.gz WKUAVVPPWAOENS-CYBMUJFWSA-N 1 0 317.260 3.869 20 10 DHCDRO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CN2 ZINC000844908023 1031410706 /nfs/dbraw/zinc/41/07/06/1031410706.db2.gz PEWTVYVAJHAQPU-IBGZPJMESA-N 1 0 321.468 3.803 20 10 DHCDRO C[C@@H]1CCCC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298336 1031435937 /nfs/dbraw/zinc/43/59/37/1031435937.db2.gz BTLBNOKPRQOAKH-SNVBAGLBSA-N 1 0 316.214 3.916 20 10 DHCDRO COC/C(C)=C\C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184128 1031459543 /nfs/dbraw/zinc/45/95/43/1031459543.db2.gz BSMKDXVGKRCEDX-BOPFTXTBSA-N 1 0 302.462 3.701 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001171190183 1031634012 /nfs/dbraw/zinc/63/40/12/1031634012.db2.gz RBPASAKYOJHBSL-ZIFCJYIRSA-N 1 0 316.489 3.828 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c(O)c1 ZINC001144509359 1031664896 /nfs/dbraw/zinc/66/48/96/1031664896.db2.gz UPWPHYJQMBXFOE-MRXNPFEDSA-N 1 0 317.360 3.670 20 10 DHCDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000873009361 1031690909 /nfs/dbraw/zinc/69/09/09/1031690909.db2.gz KDSGTVNAFYDMHQ-UHFFFAOYSA-N 1 0 313.401 3.567 20 10 DHCDRO COCCCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841894745 1031692992 /nfs/dbraw/zinc/69/29/92/1031692992.db2.gz STMYUDUOOXKJBP-UHFFFAOYSA-N 1 0 318.383 3.630 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1C ZINC000873012677 1031693689 /nfs/dbraw/zinc/69/36/89/1031693689.db2.gz MWSNYLLDKHALAZ-KRWDZBQOSA-N 1 0 313.445 3.685 20 10 DHCDRO Cn1cccc1C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000760401830 1031697580 /nfs/dbraw/zinc/69/75/80/1031697580.db2.gz OEWSVDQNBIRPFQ-UHFFFAOYSA-N 1 0 324.424 3.988 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293957524 1031722223 /nfs/dbraw/zinc/72/22/23/1031722223.db2.gz PPRANMTYQSCCQQ-AWEZNQCLSA-N 1 0 323.799 3.862 20 10 DHCDRO CCOc1cccc(C[NH2+]C2CC(Nc3ccccc3)C2)c1O ZINC000873190665 1031752786 /nfs/dbraw/zinc/75/27/86/1031752786.db2.gz JDIADWCTPHMBRZ-UHFFFAOYSA-N 1 0 312.413 3.524 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CNc3ccccc32)c1 ZINC000873237476 1031770231 /nfs/dbraw/zinc/77/02/31/1031770231.db2.gz PUEPBAJODJKQOQ-UONOGXRCSA-N 1 0 312.413 3.651 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cc(F)ccc1O ZINC000873238403 1031770569 /nfs/dbraw/zinc/77/05/69/1031770569.db2.gz ZNSQXANGFRYNDM-OLZOCXBDSA-N 1 0 300.377 3.781 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873272978 1031785338 /nfs/dbraw/zinc/78/53/38/1031785338.db2.gz XPLWBHCGQZRXPY-VHSXEESVSA-N 1 0 317.260 3.738 20 10 DHCDRO Cc1cccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846014250 1031809097 /nfs/dbraw/zinc/80/90/97/1031809097.db2.gz DOQHPVTVTBZOCR-UHFFFAOYSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000846035902 1031827565 /nfs/dbraw/zinc/82/75/65/1031827565.db2.gz VDUFFSVDUMINET-UONOGXRCSA-N 1 0 322.207 3.849 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000846040689 1031836286 /nfs/dbraw/zinc/83/62/86/1031836286.db2.gz XZUYFEQIDGXGHM-HUUCEWRRSA-N 1 0 301.789 3.585 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846104839 1031874724 /nfs/dbraw/zinc/87/47/24/1031874724.db2.gz MRBKFNMVPGQJGS-AWEZNQCLSA-N 1 0 317.763 3.675 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000846155254 1031885285 /nfs/dbraw/zinc/88/52/85/1031885285.db2.gz VUMRKNYTCYFCEK-CZUORRHYSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c(C)c1 ZINC000846152756 1031885490 /nfs/dbraw/zinc/88/54/90/1031885490.db2.gz DACBADHTDRBALL-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000846155250 1031885608 /nfs/dbraw/zinc/88/56/08/1031885608.db2.gz VUMRKNYTCYFCEK-BBRMVZONSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCc3ccccc3C2)c1O ZINC000846152337 1031885782 /nfs/dbraw/zinc/88/57/82/1031885782.db2.gz RYJYCJAVBURRKE-LSDHHAIUSA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3ccc(Cl)cc32)c1O ZINC000846154720 1031886254 /nfs/dbraw/zinc/88/62/54/1031886254.db2.gz RLWLXFKDALVUJU-IINYFYTJSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(CSC)CC2)c1O ZINC000846169077 1031895503 /nfs/dbraw/zinc/89/55/03/1031895503.db2.gz FRPHVJSVLWWUPO-IYXRBSQSSA-N 1 0 309.475 3.973 20 10 DHCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001142525105 1031897871 /nfs/dbraw/zinc/89/78/71/1031897871.db2.gz XNEYWBXMWPVPIN-AWEZNQCLSA-N 1 0 303.352 3.735 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c1O ZINC000846169390 1031897919 /nfs/dbraw/zinc/89/79/19/1031897919.db2.gz QHROJLWNWJHEBC-GJZGRUSLSA-N 1 0 314.429 3.858 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cc(C)ccc2F)c1O ZINC000846168156 1031898030 /nfs/dbraw/zinc/89/80/30/1031898030.db2.gz HHSYMOFGDCALJS-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000846141743 1031899578 /nfs/dbraw/zinc/89/95/78/1031899578.db2.gz RZTHQVMUXOIAJL-XUJVJEKNSA-N 1 0 301.386 3.968 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCN(C)c2ccccc2)c1O ZINC000846136281 1031901163 /nfs/dbraw/zinc/90/11/63/1031901163.db2.gz IDMZYYRYLLTNIR-OAHLLOKOSA-N 1 0 314.429 3.578 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CSc3ccccc32)c1O ZINC000846142754 1031903457 /nfs/dbraw/zinc/90/34/57/1031903457.db2.gz CHGHAKXRQMXECN-RISCZKNCSA-N 1 0 301.411 3.898 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1O ZINC000846141227 1031904752 /nfs/dbraw/zinc/90/47/52/1031904752.db2.gz GGKLEPZYQUVNOV-CZUORRHYSA-N 1 0 313.397 3.884 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)c1O ZINC000846143241 1031906382 /nfs/dbraw/zinc/90/63/82/1031906382.db2.gz CWMHQIIOQGVXFE-KGLIPLIRSA-N 1 0 315.413 3.778 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846144217 1031906779 /nfs/dbraw/zinc/90/67/79/1031906779.db2.gz LJRKKTGFOFUSKG-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)c1O ZINC000846146256 1031909992 /nfs/dbraw/zinc/90/99/92/1031909992.db2.gz OUCUYNBWIYGKIA-STQMWFEESA-N 1 0 305.443 3.992 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(C)o2)c1O ZINC000846146104 1031910363 /nfs/dbraw/zinc/91/03/63/1031910363.db2.gz NAOJBHGWUQPYFS-GXTWGEPZSA-N 1 0 303.402 3.974 20 10 DHCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000846183351 1031915813 /nfs/dbraw/zinc/91/58/13/1031915813.db2.gz IAEGNYOZKYSGIR-PMUMKWKESA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183967 1031916716 /nfs/dbraw/zinc/91/67/16/1031916716.db2.gz PRBNADHSFCIVGI-KSMMKXTCSA-N 1 0 316.420 3.664 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846185995 1031919208 /nfs/dbraw/zinc/91/92/08/1031919208.db2.gz CHYZPCGIRAUXEH-YWZLYKJASA-N 1 0 316.489 3.999 20 10 DHCDRO CCOc1cccc(F)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000877533698 1033339085 /nfs/dbraw/zinc/33/90/85/1033339085.db2.gz QDJCDDDQPPGRLX-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c(O)c1 ZINC000877538980 1033342617 /nfs/dbraw/zinc/34/26/17/1033342617.db2.gz HVTSTLZQSVLAKE-FQEVSTJZSA-N 1 0 323.436 3.884 20 10 DHCDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000877546266 1033350120 /nfs/dbraw/zinc/35/01/20/1033350120.db2.gz PZSIHPKZFNSVBA-UHFFFAOYSA-N 1 0 300.358 3.634 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000877563842 1033357308 /nfs/dbraw/zinc/35/73/08/1033357308.db2.gz SNCYXWWULCBZCS-INIZCTEOSA-N 1 0 305.805 3.519 20 10 DHCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562276 1033358508 /nfs/dbraw/zinc/35/85/08/1033358508.db2.gz QSYWINZGDQSVSA-ROUUACIJSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877578755 1033365894 /nfs/dbraw/zinc/36/58/94/1033365894.db2.gz HOKOSKBDPLPYKA-UZLBHIALSA-N 1 0 316.489 3.706 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC3(CCSCC3)CC2)c1O ZINC000877674559 1033408275 /nfs/dbraw/zinc/40/82/75/1033408275.db2.gz MIAXKDNJLGWMPY-UHFFFAOYSA-N 1 0 321.486 3.900 20 10 DHCDRO Oc1cccc2c1C[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000877702566 1033417937 /nfs/dbraw/zinc/41/79/37/1033417937.db2.gz BULBCWGQBYDSBO-UHFFFAOYSA-N 1 0 305.324 3.552 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000877729392 1033422973 /nfs/dbraw/zinc/42/29/73/1033422973.db2.gz ROQKIOZHIFZBEP-SMDDNHRTSA-N 1 0 315.335 3.635 20 10 DHCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172858113 1033426135 /nfs/dbraw/zinc/42/61/35/1033426135.db2.gz BSDJPAJLOMDEPQ-LLVKDONJSA-N 1 0 323.795 3.654 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000877757367 1033434622 /nfs/dbraw/zinc/43/46/22/1033434622.db2.gz UCXYTKZMZRBPGP-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(-c2cnn(C)c2)c1 ZINC000877758247 1033434782 /nfs/dbraw/zinc/43/47/82/1033434782.db2.gz PDBWRXRZDOADLY-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1O ZINC000877758208 1033434952 /nfs/dbraw/zinc/43/49/52/1033434952.db2.gz NBEVRPCMBJNFAY-KBPBESRZSA-N 1 0 315.413 3.778 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1O ZINC000877758396 1033438127 /nfs/dbraw/zinc/43/81/27/1033438127.db2.gz YBMFCAUAYDHIQQ-INIZCTEOSA-N 1 0 321.424 3.682 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171277 1033595238 /nfs/dbraw/zinc/59/52/38/1033595238.db2.gz MUQAMARBPZDTTC-SUNYJGFJSA-N 1 0 303.446 3.790 20 10 DHCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173339625 1033693930 /nfs/dbraw/zinc/69/39/30/1033693930.db2.gz PRZUWKCXVQOEQH-MAUKXSAKSA-N 1 0 319.445 3.614 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1 ZINC000777223697 1033726730 /nfs/dbraw/zinc/72/67/30/1033726730.db2.gz UYLVQEQOHFUMSO-LLVKDONJSA-N 1 0 314.410 3.861 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C2Cc3cc(F)c(F)cc3C2)cc1 ZINC001173482275 1033741376 /nfs/dbraw/zinc/74/13/76/1033741376.db2.gz CJDDNFQQEUOZCF-UHFFFAOYSA-N 1 0 316.395 3.630 20 10 DHCDRO C[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCS1 ZINC000862212086 1033781650 /nfs/dbraw/zinc/78/16/50/1033781650.db2.gz GMNYWQMXVDUDSV-AEFFLSMTSA-N 1 0 321.486 3.659 20 10 DHCDRO COCCC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000862437590 1033853187 /nfs/dbraw/zinc/85/31/87/1033853187.db2.gz STGPPDLIJYIQPT-SNAWJCMRSA-N 1 0 302.462 3.514 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442027 1033856947 /nfs/dbraw/zinc/85/69/47/1033856947.db2.gz GDIJTWZYQFOJLC-AOOOYVTPSA-N 1 0 319.779 3.777 20 10 DHCDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476430 1033863954 /nfs/dbraw/zinc/86/39/54/1033863954.db2.gz UBRVTCZGDCUPLY-HNNXBMFYSA-N 1 0 312.413 3.516 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000862538391 1033879105 /nfs/dbraw/zinc/87/91/05/1033879105.db2.gz RHKPWHLRWCUMSF-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)cc1F ZINC000862541894 1033883870 /nfs/dbraw/zinc/88/38/70/1033883870.db2.gz YTLDRXLUNGAXNM-HNNXBMFYSA-N 1 0 315.388 3.838 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000862549354 1033886105 /nfs/dbraw/zinc/88/61/05/1033886105.db2.gz AFUTWYKRSZALPO-GOSISDBHSA-N 1 0 312.413 3.599 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927131872 1034028461 /nfs/dbraw/zinc/02/84/61/1034028461.db2.gz ZEBMVHVQDFKYHV-ZIAGYGMSSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccccc3O)c2cc1C ZINC000879651185 1034075229 /nfs/dbraw/zinc/07/52/29/1034075229.db2.gz LPZMTLCKJMVVKV-AWEZNQCLSA-N 1 0 323.392 3.966 20 10 DHCDRO Cc1nnc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)o1 ZINC000176680648 1034102638 /nfs/dbraw/zinc/10/26/38/1034102638.db2.gz XLVWTAZQAKWUME-CQSZACIVSA-N 1 0 323.396 3.847 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000927139642 1034150952 /nfs/dbraw/zinc/15/09/52/1034150952.db2.gz MYXLUARVDXFYIH-KRWDZBQOSA-N 1 0 301.434 3.852 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000927140594 1034159324 /nfs/dbraw/zinc/15/93/24/1034159324.db2.gz QZUSKDLCHBYHFZ-LBPRGKRZSA-N 1 0 314.429 3.981 20 10 DHCDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000119741664 1034231262 /nfs/dbraw/zinc/23/12/62/1034231262.db2.gz ZPCIJPQIOUKJLC-GOSISDBHSA-N 1 0 324.468 3.552 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(O)c2)cc1 ZINC000178408352 1034234833 /nfs/dbraw/zinc/23/48/33/1034234833.db2.gz ZTRDTVZAJCKNEY-CQSZACIVSA-N 1 0 314.429 3.708 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)nc1 ZINC000179116277 1034286316 /nfs/dbraw/zinc/28/63/16/1034286316.db2.gz FOHSRTQJHSAXPK-NSHDSACASA-N 1 0 307.800 3.791 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)Cc2scnc2C)c(O)c1 ZINC000179428780 1034305698 /nfs/dbraw/zinc/30/56/98/1034305698.db2.gz OOQYKVYONFONLN-UHFFFAOYSA-N 1 0 306.431 3.578 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(CO)c1 ZINC000183222025 1034364032 /nfs/dbraw/zinc/36/40/32/1034364032.db2.gz ICBIIYOCMWFHLQ-INIZCTEOSA-N 1 0 310.441 3.630 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000183250973 1034366972 /nfs/dbraw/zinc/36/69/72/1034366972.db2.gz NQLMRIWEWOPISY-SFHVURJKSA-N 1 0 312.461 3.507 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000183371985 1034380137 /nfs/dbraw/zinc/38/01/37/1034380137.db2.gz YZTKQWFAZJZKGB-ZBFHGGJFSA-N 1 0 316.470 3.941 20 10 DHCDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183394470 1034382381 /nfs/dbraw/zinc/38/23/81/1034382381.db2.gz VQLBYAAVNJXYAO-CQSZACIVSA-N 1 0 312.413 3.838 20 10 DHCDRO COc1ccc(COCCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183485995 1034389665 /nfs/dbraw/zinc/38/96/65/1034389665.db2.gz LULHSBMXSCJOSM-OAHLLOKOSA-N 1 0 315.413 3.658 20 10 DHCDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183551634 1034400107 /nfs/dbraw/zinc/40/01/07/1034400107.db2.gz DRVMHTKGBQBYRY-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccccc1F)c1ccc(C)cc1O ZINC000794795117 1034465824 /nfs/dbraw/zinc/46/58/24/1034465824.db2.gz OHXULSNDYUQLCY-INIZCTEOSA-N 1 0 303.377 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794800331 1034469741 /nfs/dbraw/zinc/46/97/41/1034469741.db2.gz CPYNWMFWGMVXDN-HNNXBMFYSA-N 1 0 307.434 3.863 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccc(C)cc1O ZINC000794797963 1034470651 /nfs/dbraw/zinc/47/06/51/1034470651.db2.gz RMYMIAJTEJIMFV-QZTJIDSGSA-N 1 0 304.478 3.862 20 10 DHCDRO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000184412168 1034471874 /nfs/dbraw/zinc/47/18/74/1034471874.db2.gz JTILBKMPDVFCIX-INIZCTEOSA-N 1 0 310.445 3.660 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(C)cc1O ZINC000794794326 1034474084 /nfs/dbraw/zinc/47/40/84/1034474084.db2.gz LWUSTEPWQNWBHI-GOEBONIOSA-N 1 0 313.397 3.581 20 10 DHCDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1O ZINC000794805087 1034479209 /nfs/dbraw/zinc/47/92/09/1034479209.db2.gz OZCUMSXLEZSWBH-HNNXBMFYSA-N 1 0 317.433 3.881 20 10 DHCDRO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C)cc1O ZINC000794804868 1034480371 /nfs/dbraw/zinc/48/03/71/1034480371.db2.gz VSSKWQKEWCCWNC-GOSISDBHSA-N 1 0 321.461 3.575 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000184843818 1034503255 /nfs/dbraw/zinc/50/32/55/1034503255.db2.gz SXBJOJKPKFKNKY-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000184845395 1034504058 /nfs/dbraw/zinc/50/40/58/1034504058.db2.gz PIUKPSLFYJBRTH-QWRGUYRKSA-N 1 0 321.218 3.962 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cccnc1 ZINC000184882888 1034506564 /nfs/dbraw/zinc/50/65/64/1034506564.db2.gz ZLIJPWWNMNLUGQ-QWRGUYRKSA-N 1 0 321.218 3.962 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1O ZINC000794809230 1034518360 /nfs/dbraw/zinc/51/83/60/1034518360.db2.gz DNRFCVPVPGHATI-ROUUACIJSA-N 1 0 324.424 3.547 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000794811677 1034520250 /nfs/dbraw/zinc/52/02/50/1034520250.db2.gz XQPXESOGGSXIBL-QGZVFWFLSA-N 1 0 314.385 3.892 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000794811676 1034520990 /nfs/dbraw/zinc/52/09/90/1034520990.db2.gz XQPXESOGGSXIBL-KRWDZBQOSA-N 1 0 314.385 3.892 20 10 DHCDRO CCOCCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185070670 1034525443 /nfs/dbraw/zinc/52/54/43/1034525443.db2.gz WXHQRWOVHIOFBV-LLVKDONJSA-N 1 0 316.239 3.622 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093733 1034527255 /nfs/dbraw/zinc/52/72/55/1034527255.db2.gz XYOWEWRBVPIOLV-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817142 1034533989 /nfs/dbraw/zinc/53/39/89/1034533989.db2.gz PKLNUVMHKGSZBY-MJGOQNOKSA-N 1 0 317.404 3.788 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794824627 1034535021 /nfs/dbraw/zinc/53/50/21/1034535021.db2.gz KSKWEBYEFCFUIE-DZGCQCFKSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccccc1O ZINC000185210345 1034536457 /nfs/dbraw/zinc/53/64/57/1034536457.db2.gz NVYWVBSXNCBOFY-SFHVURJKSA-N 1 0 312.413 3.634 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccccc1O ZINC000185211848 1034536556 /nfs/dbraw/zinc/53/65/56/1034536556.db2.gz SZEFGENZYVKPCU-QGZVFWFLSA-N 1 0 303.377 3.919 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccc(C)cc1O ZINC000794817608 1034538990 /nfs/dbraw/zinc/53/89/90/1034538990.db2.gz UJCGWNJVZIMIOS-IRXDYDNUSA-N 1 0 315.461 3.915 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185349734 1034544181 /nfs/dbraw/zinc/54/41/81/1034544181.db2.gz XPSTUCUCUYVGRC-STQMWFEESA-N 1 0 309.413 3.999 20 10 DHCDRO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426403 1034545323 /nfs/dbraw/zinc/54/53/23/1034545323.db2.gz UHCLZPDJJSXGJI-WDEREUQCSA-N 1 0 306.431 3.832 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186507008 1034639549 /nfs/dbraw/zinc/63/95/49/1034639549.db2.gz WZVJBLSZVXWWED-NDIJEHHESA-N 1 0 302.462 3.655 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000186542937 1034642561 /nfs/dbraw/zinc/64/25/61/1034642561.db2.gz PMGPVCAYKAZQIH-YOEHRIQHSA-N 1 0 302.418 3.510 20 10 DHCDRO CC1CCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2)CC1 ZINC000865456651 1034655674 /nfs/dbraw/zinc/65/56/74/1034655674.db2.gz PINXMAKNTAIAHN-UHFFFAOYSA-N 1 0 324.472 3.744 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000186807505 1034663017 /nfs/dbraw/zinc/66/30/17/1034663017.db2.gz VNCZGBSXCMAGTC-INIZCTEOSA-N 1 0 318.417 3.936 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000193280655 1034839339 /nfs/dbraw/zinc/83/93/39/1034839339.db2.gz QWNNEFJMXJFEFU-KRWDZBQOSA-N 1 0 317.816 3.752 20 10 DHCDRO Nc1ccc(N(c2ccc(N)cc2)c2ccc(C[NH3+])cc2)cc1 ZINC001175971069 1035170441 /nfs/dbraw/zinc/17/04/41/1035170441.db2.gz AXBCTBUUFVZPDE-UHFFFAOYSA-N 1 0 304.397 3.780 20 10 DHCDRO CCC[NH+](CCC)CCCNCc1c(O)cc(C)cc1Cl ZINC001177060991 1035346185 /nfs/dbraw/zinc/34/61/85/1035346185.db2.gz GIFBEBMPKQBEIK-UHFFFAOYSA-N 1 0 312.885 3.956 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC001177483602 1035372322 /nfs/dbraw/zinc/37/23/22/1035372322.db2.gz ZGKGTPNTJUAMKO-NSHDSACASA-N 1 0 300.368 3.907 20 10 DHCDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc2c1OCC2 ZINC001177587034 1035382614 /nfs/dbraw/zinc/38/26/14/1035382614.db2.gz UXQWHNOWZVLENV-UHFFFAOYSA-N 1 0 322.452 3.902 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001178330977 1035422862 /nfs/dbraw/zinc/42/28/62/1035422862.db2.gz LEAMHXBBTARGDR-IWAYRVGRSA-N 1 0 302.462 3.702 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1 ZINC000773746591 1035432371 /nfs/dbraw/zinc/43/23/71/1035432371.db2.gz MBKXBOGYLLCMHX-SFHVURJKSA-N 1 0 324.472 3.621 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000773766266 1035443819 /nfs/dbraw/zinc/44/38/19/1035443819.db2.gz PWCKFXRQHKWQIU-UHFFFAOYSA-N 1 0 315.486 3.526 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(F)cnc2Cl)cc1 ZINC001178827730 1035449852 /nfs/dbraw/zinc/44/98/52/1035449852.db2.gz SUIMTEMEOFSOQD-ARJAWSKDSA-N 1 0 319.811 3.743 20 10 DHCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC001178934884 1035454003 /nfs/dbraw/zinc/45/40/03/1035454003.db2.gz UJVMYNYRZWVTGW-DLBZAZTESA-N 1 0 303.446 3.693 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)cc1 ZINC001179129590 1035466102 /nfs/dbraw/zinc/46/61/02/1035466102.db2.gz UGUNBSSVRCDASJ-LJQANCHMSA-N 1 0 322.452 3.941 20 10 DHCDRO CC(C)OCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179277215 1035472471 /nfs/dbraw/zinc/47/24/71/1035472471.db2.gz BHADFJYCDDMIFM-UHFFFAOYSA-N 1 0 324.468 3.764 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C2(c3cccc(OC)c3)CC2)cc1 ZINC000773811434 1035472728 /nfs/dbraw/zinc/47/27/28/1035472728.db2.gz MMBZCTPAHZLGGY-UHFFFAOYSA-N 1 0 310.441 3.930 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC001179712749 1035494082 /nfs/dbraw/zinc/49/40/82/1035494082.db2.gz JMEKVFUUXKJDJK-LJQANCHMSA-N 1 0 310.445 3.707 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001179717497 1035494755 /nfs/dbraw/zinc/49/47/55/1035494755.db2.gz UDQYTCLLRKUPNW-RURPWVQCSA-N 1 0 314.473 3.847 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001180012271 1035566189 /nfs/dbraw/zinc/56/61/89/1035566189.db2.gz ZGNAPKGNGWSTGF-UHFFFAOYSA-N 1 0 313.401 3.601 20 10 DHCDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000089725976 1035594136 /nfs/dbraw/zinc/59/41/36/1035594136.db2.gz IITWYLPJXVXDAN-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC001180430600 1035671297 /nfs/dbraw/zinc/67/12/97/1035671297.db2.gz OXGYBJXYIJKICO-SJLPKXTDSA-N 1 0 305.462 3.745 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001181085938 1035823728 /nfs/dbraw/zinc/82/37/28/1035823728.db2.gz HZRSXKXDCWTJHU-SJLPKXTDSA-N 1 0 301.361 3.541 20 10 DHCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001181878545 1036030040 /nfs/dbraw/zinc/03/00/40/1036030040.db2.gz CGXZZBIKPUZSHU-UHFFFAOYSA-N 1 0 316.710 3.749 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1N1CCCCC1 ZINC001195023154 1036106513 /nfs/dbraw/zinc/10/65/13/1036106513.db2.gz RCLWTBGCOBWWSO-QUCCMNQESA-N 1 0 314.473 3.596 20 10 DHCDRO COc1ccccc1C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775643452 1036163751 /nfs/dbraw/zinc/16/37/51/1036163751.db2.gz YGFLHWXUDDCINF-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000775646532 1036194962 /nfs/dbraw/zinc/19/49/62/1036194962.db2.gz ZHGDHEIBQNIDRP-KRWDZBQOSA-N 1 0 301.361 3.877 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001205696891 1036220519 /nfs/dbraw/zinc/22/05/19/1036220519.db2.gz PZTUPUHCBPAMJV-UHFFFAOYSA-N 1 0 321.852 3.717 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCOc3ccccc3C2)c1O ZINC000775659233 1036263127 /nfs/dbraw/zinc/26/31/27/1036263127.db2.gz HAAZFWVUIACFMU-UHFFFAOYSA-N 1 0 303.789 3.749 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC001182387042 1036270112 /nfs/dbraw/zinc/27/01/12/1036270112.db2.gz AOHRXMXGRXRIER-HZSPNIEDSA-N 1 0 307.434 3.714 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182424968 1036274549 /nfs/dbraw/zinc/27/45/49/1036274549.db2.gz XSDDGXBXGYMZTN-ILZDJORESA-N 1 0 318.505 3.929 20 10 DHCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001182424195 1036274915 /nfs/dbraw/zinc/27/49/15/1036274915.db2.gz QJHSJSXBPSKLQQ-KFKAGJAMSA-N 1 0 316.489 3.539 20 10 DHCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001182424193 1036276663 /nfs/dbraw/zinc/27/66/63/1036276663.db2.gz QJHSJSXBPSKLQQ-ATZDWAIDSA-N 1 0 316.489 3.539 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774379371 1036306974 /nfs/dbraw/zinc/30/69/74/1036306974.db2.gz OMPHMSHZAAHGKM-VQTJNVASSA-N 1 0 315.505 3.810 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000775690161 1036467139 /nfs/dbraw/zinc/46/71/39/1036467139.db2.gz JYDVVCFXGLYJFH-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1ccc(O)c(C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000775699849 1036472968 /nfs/dbraw/zinc/47/29/68/1036472968.db2.gz IMXBDQWOILXCDM-UHFFFAOYSA-N 1 0 315.388 3.747 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000775713909 1036526336 /nfs/dbraw/zinc/52/63/36/1036526336.db2.gz LMHZKZBZGWGMHR-HIFRSBDPSA-N 1 0 315.388 3.918 20 10 DHCDRO COc1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(O)cc1C ZINC000774670839 1036658021 /nfs/dbraw/zinc/65/80/21/1036658021.db2.gz MQVWWHIGAYIDIZ-UHFFFAOYSA-N 1 0 309.409 3.757 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccccc1O ZINC001197005132 1036666933 /nfs/dbraw/zinc/66/69/33/1036666933.db2.gz YWEAJBXPKGTIST-LLVKDONJSA-N 1 0 309.768 3.914 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1 ZINC000775762604 1036705848 /nfs/dbraw/zinc/70/58/48/1036705848.db2.gz BKLSYTPHGICIBW-UHFFFAOYSA-N 1 0 312.457 3.526 20 10 DHCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001183971254 1036721858 /nfs/dbraw/zinc/72/18/58/1036721858.db2.gz FXYGHAOFCXREKO-GFCCVEGCSA-N 1 0 322.861 3.875 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000155755837 1036848164 /nfs/dbraw/zinc/84/81/64/1036848164.db2.gz HPQXFFQGPCHVDF-QUCCMNQESA-N 1 0 311.425 3.657 20 10 DHCDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834677 1036992392 /nfs/dbraw/zinc/99/23/92/1036992392.db2.gz CFSFNCFHHHSFKR-AWEZNQCLSA-N 1 0 308.429 3.560 20 10 DHCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237180086 1036995196 /nfs/dbraw/zinc/99/51/96/1036995196.db2.gz QAGKVTZXRRRGGM-GFCCVEGCSA-N 1 0 301.361 3.620 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1F ZINC000152294003 1037028512 /nfs/dbraw/zinc/02/85/12/1037028512.db2.gz SFXYAIIWDIRBON-UHFFFAOYSA-N 1 0 320.383 3.806 20 10 DHCDRO COc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)ccn1 ZINC000762916849 1037064861 /nfs/dbraw/zinc/06/48/61/1037064861.db2.gz IWZJRVKRXXNYLA-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163605686 1037129688 /nfs/dbraw/zinc/12/96/88/1037129688.db2.gz FIBLHWUCUAEKJU-APWZRJJASA-N 1 0 304.478 3.879 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1O ZINC000775983593 1037280063 /nfs/dbraw/zinc/28/00/63/1037280063.db2.gz MKCFKOYHHLWQFV-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000776001807 1037294458 /nfs/dbraw/zinc/29/44/58/1037294458.db2.gz BOJIDLZYHNUEFP-SJORKVTESA-N 1 0 311.425 3.992 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(CC)CC)cc1)C1CCOCC1 ZINC001203942461 1037337529 /nfs/dbraw/zinc/33/75/29/1037337529.db2.gz RFRAIORMPWJTQU-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000775134723 1037682311 /nfs/dbraw/zinc/68/23/11/1037682311.db2.gz DSIRYHLRYITJOI-GFCCVEGCSA-N 1 0 304.331 3.666 20 10 DHCDRO CCCN(Cc1cc(-c2ccccc2)n[nH]1)c1ccc(C[NH3+])cc1 ZINC000775140308 1037704654 /nfs/dbraw/zinc/70/46/54/1037704654.db2.gz LPFRJPAGUFLFFK-UHFFFAOYSA-N 1 0 320.440 3.952 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC2(CCCO2)CC1 ZINC000775141132 1037710848 /nfs/dbraw/zinc/71/08/48/1037710848.db2.gz XBSYYEUTSPGOFY-UHFFFAOYSA-N 1 0 302.462 3.854 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000151182516 1037750737 /nfs/dbraw/zinc/75/07/37/1037750737.db2.gz SCUVQYIWHKHDKA-OAHLLOKOSA-N 1 0 313.445 3.787 20 10 DHCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083552006 1037866173 /nfs/dbraw/zinc/86/61/73/1037866173.db2.gz YFMZYPYXVSPXKS-LBPRGKRZSA-N 1 0 305.805 3.775 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1cccc(F)c1 ZINC000776217856 1037908009 /nfs/dbraw/zinc/90/80/09/1037908009.db2.gz BVWJOIFOVZXHCL-LLVKDONJSA-N 1 0 309.768 3.742 20 10 DHCDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001201912565 1037935215 /nfs/dbraw/zinc/93/52/15/1037935215.db2.gz YSKUYTJLCXPBQY-GOSISDBHSA-N 1 0 323.436 3.840 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000776243913 1038018505 /nfs/dbraw/zinc/01/85/05/1038018505.db2.gz ZXJKSQPBPUZLNO-UHFFFAOYSA-N 1 0 321.779 3.972 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000164504235 1038205651 /nfs/dbraw/zinc/20/56/51/1038205651.db2.gz KNLNDFLZTNEPQT-OAHLLOKOSA-N 1 0 303.427 3.644 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3cccc4cc[nH]c43)cc2)CC1 ZINC000775340356 1038254583 /nfs/dbraw/zinc/25/45/83/1038254583.db2.gz LWUARMOZHZPKSP-UHFFFAOYSA-N 1 0 320.440 3.532 20 10 DHCDRO CO[C@@H](CC(C)C)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001190436839 1038316694 /nfs/dbraw/zinc/31/66/94/1038316694.db2.gz MCZNNKMCTRLIHT-IBGZPJMESA-N 1 0 304.478 3.778 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)C[Si](C)(C)c1ccccc1 ZINC001191289546 1038481030 /nfs/dbraw/zinc/48/10/30/1038481030.db2.gz PHRSADDEEZFAMZ-UHFFFAOYSA-N 1 0 313.517 3.759 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1O ZINC000775487599 1038557590 /nfs/dbraw/zinc/55/75/90/1038557590.db2.gz LJWPFDPZYWEJJK-MSOLQXFVSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000775488565 1038562553 /nfs/dbraw/zinc/56/25/53/1038562553.db2.gz OMVPRLYDSPXHIM-ARFHVFGLSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775489709 1038563373 /nfs/dbraw/zinc/56/33/73/1038563373.db2.gz QRGDYGBGNZXMDH-DOTOQJQBSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775502171 1038589795 /nfs/dbraw/zinc/58/97/95/1038589795.db2.gz PMNFYEZYHWJCRK-DOTOQJQBSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cc(Cl)ccc1O ZINC000775508674 1038593316 /nfs/dbraw/zinc/59/33/16/1038593316.db2.gz DWVQIPHAWHOCPT-WXYCVUISSA-N 1 0 309.837 3.900 20 10 DHCDRO CC[C@@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775508409 1038594126 /nfs/dbraw/zinc/59/41/26/1038594126.db2.gz BPVQBLDNLZNBPN-CQSZACIVSA-N 1 0 305.809 3.593 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775513918 1038608023 /nfs/dbraw/zinc/60/80/23/1038608023.db2.gz WMOCDTNYDOEOIZ-GHJWDPDVSA-N 1 0 308.853 3.712 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775523005 1038628385 /nfs/dbraw/zinc/62/83/85/1038628385.db2.gz DBQRYBAHAHSNBL-CVEARBPZSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775522633 1038633738 /nfs/dbraw/zinc/63/37/38/1038633738.db2.gz WIXXXSZYAFOYIZ-MEBBXXQBSA-N 1 0 307.825 3.749 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775536664 1038677310 /nfs/dbraw/zinc/67/73/10/1038677310.db2.gz MQPDUMZDZMIYCK-JQWIXIFHSA-N 1 0 311.731 3.664 20 10 DHCDRO CCC(CC)(C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)OC ZINC000760883661 1038960284 /nfs/dbraw/zinc/96/02/84/1038960284.db2.gz NOBYXLSVSCAHPG-LLVKDONJSA-N 1 0 313.825 3.676 20 10 DHCDRO c1csc(SCCC[NH2+]C[C@@H]2CCc3ccccc32)n1 ZINC000760954713 1039159301 /nfs/dbraw/zinc/15/93/01/1039159301.db2.gz OBOKGZSKCRXCOW-AWEZNQCLSA-N 1 0 304.484 3.945 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000158260168 1040192692 /nfs/dbraw/zinc/19/26/92/1040192692.db2.gz RZMBLBDFBJVUPC-MAUKXSAKSA-N 1 0 321.420 3.800 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000761191416 1040561163 /nfs/dbraw/zinc/56/11/63/1040561163.db2.gz TZDBIOGQZNFMCG-OAHLLOKOSA-N 1 0 318.804 3.786 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000228793404 1041178422 /nfs/dbraw/zinc/17/84/22/1041178422.db2.gz OBXKQSABUGMOLL-DZGCQCFKSA-N 1 0 322.449 3.592 20 10 DHCDRO CCOCCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019962988 182170655 /nfs/dbraw/zinc/17/06/55/182170655.db2.gz FYMXKXTXQACACA-CYBMUJFWSA-N 1 0 316.239 3.622 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000035628903 182783212 /nfs/dbraw/zinc/78/32/12/182783212.db2.gz MBZQRRLAHMYZAD-UKRRQHHQSA-N 1 0 304.459 3.716 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000042879392 183316054 /nfs/dbraw/zinc/31/60/54/183316054.db2.gz HZBYASXDJZWBFQ-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000272843579 130068751 /nfs/dbraw/zinc/06/87/51/130068751.db2.gz JWUKIAOHLVSULU-MEBBXXQBSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1C ZINC000273345790 130109295 /nfs/dbraw/zinc/10/92/95/130109295.db2.gz AQZXLYQFBYIQNJ-RLFYNMQTSA-N 1 0 321.486 3.714 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c(O)c1 ZINC000273365941 130112393 /nfs/dbraw/zinc/11/23/93/130112393.db2.gz FCBVAXDDTKPGDU-CZUORRHYSA-N 1 0 304.459 3.716 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273399778 130117360 /nfs/dbraw/zinc/11/73/60/130117360.db2.gz MUZWCTBDKWFZOB-AWEZNQCLSA-N 1 0 313.445 3.517 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273503431 130129116 /nfs/dbraw/zinc/12/91/16/130129116.db2.gz QNLIKTHCIUQVJF-GDZNZVCISA-N 1 0 307.434 3.645 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000273508678 130130870 /nfs/dbraw/zinc/13/08/70/130130870.db2.gz RINKMYXMYQZVSQ-OKHZJLECSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000273537032 130133539 /nfs/dbraw/zinc/13/35/39/130133539.db2.gz XQHRVAJHUJVBQK-CABCVRRESA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c(O)c1C ZINC000273558541 130136515 /nfs/dbraw/zinc/13/65/15/130136515.db2.gz HMVFTOZYMAXFMQ-JQWIXIFHSA-N 1 0 305.340 3.627 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273606717 130143215 /nfs/dbraw/zinc/14/32/15/130143215.db2.gz UIDUZWWGFAHUNI-CKFHNAJUSA-N 1 0 317.404 3.921 20 10 DHCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273620011 130145662 /nfs/dbraw/zinc/14/56/62/130145662.db2.gz YTDNLUGIOWKLEY-NXLNFEJXSA-N 1 0 323.502 3.739 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccn(C)c2)c1O ZINC000275344193 130308115 /nfs/dbraw/zinc/30/81/15/130308115.db2.gz PIDDKTUKXBDDDX-NSHDSACASA-N 1 0 323.234 3.652 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1C ZINC000284123183 131051005 /nfs/dbraw/zinc/05/10/05/131051005.db2.gz UBECJJQCOXEZNQ-UHFFFAOYSA-N 1 0 321.424 3.544 20 10 DHCDRO CCC[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000284218092 131060572 /nfs/dbraw/zinc/06/05/72/131060572.db2.gz CQCANCISNIWBDI-UHFFFAOYSA-N 1 0 313.445 3.892 20 10 DHCDRO C[C@]12CC[N@H+](Cc3cc(F)ccc3O)C[C@H]1C2(Cl)Cl ZINC000284380398 131075445 /nfs/dbraw/zinc/07/54/45/131075445.db2.gz OKZDVAUNNXPPBI-OLZOCXBDSA-N 1 0 304.192 3.547 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000288653967 131333664 /nfs/dbraw/zinc/33/36/64/131333664.db2.gz VGIMTJCSDMPZIB-OAHLLOKOSA-N 1 0 321.804 3.532 20 10 DHCDRO COc1cccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1O ZINC000289499320 131391593 /nfs/dbraw/zinc/39/15/93/131391593.db2.gz SQHIVODZIAZHHX-UHFFFAOYSA-N 1 0 313.397 3.519 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000292008399 131616648 /nfs/dbraw/zinc/61/66/48/131616648.db2.gz YKEKKGIVMAPJMX-LBPRGKRZSA-N 1 0 314.429 3.981 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000294010998 131791535 /nfs/dbraw/zinc/79/15/35/131791535.db2.gz UHNXKQABTOXYPC-GOSISDBHSA-N 1 0 312.413 3.769 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875148 332964950 /nfs/dbraw/zinc/96/49/50/332964950.db2.gz NPDHORUTMSUCSE-ZFWWWQNUSA-N 1 0 314.433 3.512 20 10 DHCDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)CCC1 ZINC000293846331 335115174 /nfs/dbraw/zinc/11/51/74/335115174.db2.gz HMFHEUOAIRJDIN-HXUWFJFHSA-N 1 0 323.436 3.615 20 10 DHCDRO CCc1nc(C)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000291693395 333170721 /nfs/dbraw/zinc/17/07/21/333170721.db2.gz FWXSOQNUTHDIBP-UHFFFAOYSA-N 1 0 313.445 3.826 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)ccc1N(C)C ZINC000294609136 335126492 /nfs/dbraw/zinc/12/64/92/335126492.db2.gz OBSKCFHHQYIAQB-KRWDZBQOSA-N 1 0 318.848 3.538 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634397 333210994 /nfs/dbraw/zinc/21/09/94/333210994.db2.gz BWZWCPMYGZEJKZ-AWEZNQCLSA-N 1 0 320.452 3.979 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)ccc21 ZINC000295435545 335134919 /nfs/dbraw/zinc/13/49/19/335134919.db2.gz OKEVSHVVSYNAHS-UHFFFAOYSA-N 1 0 324.468 3.586 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(O)c1 ZINC000184999352 333368537 /nfs/dbraw/zinc/36/85/37/333368537.db2.gz WUOYNUYLJGLJRT-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185605741 333370349 /nfs/dbraw/zinc/37/03/49/333370349.db2.gz OXZNEEIXSDTLSY-CABCVRRESA-N 1 0 301.430 3.995 20 10 DHCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186075356 333372089 /nfs/dbraw/zinc/37/20/89/333372089.db2.gz UUCOXDKBIOHWKT-KGLIPLIRSA-N 1 0 301.430 3.993 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295907224 335138351 /nfs/dbraw/zinc/13/83/51/335138351.db2.gz DBUYGDRDORNDMZ-KRWDZBQOSA-N 1 0 319.470 3.915 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000060774025 333425313 /nfs/dbraw/zinc/42/53/13/333425313.db2.gz RMMCPKAEMCORIS-UHFFFAOYSA-N 1 0 319.792 3.604 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000296514608 335145960 /nfs/dbraw/zinc/14/59/60/335145960.db2.gz PQKRTWBDKQWZDS-AEJSXWLSSA-N 1 0 304.217 3.511 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@@H](C)c2ccccc2)cc1OC ZINC000271913616 334028757 /nfs/dbraw/zinc/02/87/57/334028757.db2.gz YNCNGCBZBCTIDR-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3cc(F)ccc3O)nc21 ZINC000273466023 334047480 /nfs/dbraw/zinc/04/74/80/334047480.db2.gz DSBODTMCBUQDRK-LBPRGKRZSA-N 1 0 314.360 3.874 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277675103 334090020 /nfs/dbraw/zinc/09/00/20/334090020.db2.gz ISWZHAUJHZROQG-UHFFFAOYSA-N 1 0 302.805 3.609 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000282296646 334132980 /nfs/dbraw/zinc/13/29/80/334132980.db2.gz MAOVJYJZANNERZ-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000368795966 336852990 /nfs/dbraw/zinc/85/29/90/336852990.db2.gz HYLZKQHSVNZTTA-WMZOPIPTSA-N 1 0 319.445 3.503 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336762 336928562 /nfs/dbraw/zinc/92/85/62/336928562.db2.gz JNXBPSBBSNEQSF-KGLIPLIRSA-N 1 0 305.324 3.845 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000372595977 336935298 /nfs/dbraw/zinc/93/52/98/336935298.db2.gz RJMKLJCHPCEQHX-OAHLLOKOSA-N 1 0 315.417 3.588 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000391359407 336957468 /nfs/dbraw/zinc/95/74/68/336957468.db2.gz WIRGXMUINZBCAY-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000373893234 336976498 /nfs/dbraw/zinc/97/64/98/336976498.db2.gz XBDJATZALKBALY-YGUOUDRMSA-N 1 0 319.351 3.715 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375108449 337003595 /nfs/dbraw/zinc/00/35/95/337003595.db2.gz UHQBFJLMRICNAT-GDIGMMSISA-N 1 0 302.462 3.608 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000377398068 337051823 /nfs/dbraw/zinc/05/18/23/337051823.db2.gz LLDPSXSRFFMCJA-ZMZPIMSZSA-N 1 0 317.360 3.542 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624213 337056724 /nfs/dbraw/zinc/05/67/24/337056724.db2.gz KLRJKGFPUHMXEH-DEYYWGMASA-N 1 0 312.413 3.940 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000175659874 337146986 /nfs/dbraw/zinc/14/69/86/337146986.db2.gz HIQAHYBMQYIZRH-MRXNPFEDSA-N 1 0 323.408 3.515 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179556279 337170254 /nfs/dbraw/zinc/17/02/54/337170254.db2.gz KBAMQOUQGQNLDH-HNNXBMFYSA-N 1 0 308.381 3.913 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000179938122 337172672 /nfs/dbraw/zinc/17/26/72/337172672.db2.gz FSQOPVMUSGYYTF-AWEZNQCLSA-N 1 0 305.809 3.804 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181531376 337182939 /nfs/dbraw/zinc/18/29/39/337182939.db2.gz SONRIESIERCUQU-UHFFFAOYSA-N 1 0 315.388 3.713 20 10 DHCDRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1O ZINC000183553308 337192166 /nfs/dbraw/zinc/19/21/66/337192166.db2.gz WWWOETPIIQMRLP-ZDUSSCGKSA-N 1 0 302.443 3.773 20 10 DHCDRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1cc(F)ccc1O ZINC000185693179 337250250 /nfs/dbraw/zinc/25/02/50/337250250.db2.gz VTYMRMQFMMMUJF-LBPRGKRZSA-N 1 0 320.433 3.912 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189960074 337284031 /nfs/dbraw/zinc/28/40/31/337284031.db2.gz YMCALRIJLMUHHO-UHFFFAOYSA-N 1 0 323.849 3.579 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(C)cc1O ZINC000527960568 337780017 /nfs/dbraw/zinc/78/00/17/337780017.db2.gz CDYUSKSLBSVUSO-QGZVFWFLSA-N 1 0 309.413 3.828 20 10 DHCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3c(C)c4ccccc4n3C)C[C@H]2C1 ZINC000424360396 337826218 /nfs/dbraw/zinc/82/62/18/337826218.db2.gz ZMYRLQSLYRIVIG-WNKDZCFJSA-N 1 0 312.457 3.780 20 10 DHCDRO CC[C@H]1C[C@@H](C[NH2+]Cc2c(C)c3ccccc3n2C)CCO1 ZINC000475189048 339440723 /nfs/dbraw/zinc/44/07/23/339440723.db2.gz CZOQMWKXWLWYPV-HOTGVXAUSA-N 1 0 300.446 3.782 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295923588 341715555 /nfs/dbraw/zinc/71/55/55/341715555.db2.gz JXKLWUGUKSRILG-MLGOLLRUSA-N 1 0 313.397 3.748 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccccc2)c1O ZINC000267443514 518287804 /nfs/dbraw/zinc/28/78/04/518287804.db2.gz JBZNYFUTTLHSKX-UHFFFAOYSA-N 1 0 301.361 3.759 20 10 DHCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000181921341 519733829 /nfs/dbraw/zinc/73/38/29/519733829.db2.gz HYGNCGDTWKYKLA-AWEZNQCLSA-N 1 0 311.429 3.562 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccnc(SCC)c2)c1O ZINC000189599697 521367207 /nfs/dbraw/zinc/36/72/07/521367207.db2.gz FNJXLSDRMKJNME-UHFFFAOYSA-N 1 0 318.442 3.588 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccc1O ZINC000155187385 522648192 /nfs/dbraw/zinc/64/81/92/522648192.db2.gz WEPMDKXNWWIALK-INIZCTEOSA-N 1 0 300.402 3.815 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000155865196 522694654 /nfs/dbraw/zinc/69/46/54/522694654.db2.gz FQUJIFFMWYXOOK-IWEFOYFVSA-N 1 0 303.377 3.694 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Br)ccc1O ZINC000229564786 522741916 /nfs/dbraw/zinc/74/19/16/522741916.db2.gz WFXLDRIPPAJPIK-RNCFNFMXSA-N 1 0 324.222 3.680 20 10 DHCDRO C[N@H+](Cc1ccnc(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000157252141 523451864 /nfs/dbraw/zinc/45/18/64/523451864.db2.gz SZAMIVMDGGIJNG-UHFFFAOYSA-N 1 0 323.371 3.620 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c(O)cccc1Cl ZINC000131120817 524620843 /nfs/dbraw/zinc/62/08/43/524620843.db2.gz WFJLQAPDYDKTNW-QMTHXVAHSA-N 1 0 311.834 3.709 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1C ZINC000156543102 525315961 /nfs/dbraw/zinc/31/59/61/525315961.db2.gz QSBJNYJWPVMFPM-AWEZNQCLSA-N 1 0 302.443 3.845 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000178424001 525390138 /nfs/dbraw/zinc/39/01/38/525390138.db2.gz DMKOJLVIIIXPFI-IRXDYDNUSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000189314799 525421262 /nfs/dbraw/zinc/42/12/62/525421262.db2.gz OSXFOTUCPDHLBJ-ZOBUZTSGSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000157747014 525685877 /nfs/dbraw/zinc/68/58/77/525685877.db2.gz ZPUQMEWBMFHFMB-VOWSPCBNSA-N 1 0 315.457 3.879 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000183645313 525686341 /nfs/dbraw/zinc/68/63/41/525686341.db2.gz ZXMKSIFNKLWKRO-DPZKZMLUSA-N 1 0 319.351 3.851 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000127139491 525686483 /nfs/dbraw/zinc/68/64/83/525686483.db2.gz DSTXDZWILKMAGD-WBVHZDCISA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266159547 525751649 /nfs/dbraw/zinc/75/16/49/525751649.db2.gz NELKVUUVXVGMSN-OAHLLOKOSA-N 1 0 313.441 3.946 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000185468731 525935227 /nfs/dbraw/zinc/93/52/27/525935227.db2.gz HLSWHSGVORLDGQ-LXIYXOSZSA-N 1 0 303.377 3.612 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(CSC)c2)c1O ZINC000189480683 526025202 /nfs/dbraw/zinc/02/52/02/526025202.db2.gz MQWOBLWLSSGPLD-UHFFFAOYSA-N 1 0 303.427 3.554 20 10 DHCDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000186774355 526144488 /nfs/dbraw/zinc/14/44/88/526144488.db2.gz FDSOIHGTGJBQKQ-TZMCWYRMSA-N 1 0 303.475 3.972 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000190179002 526354749 /nfs/dbraw/zinc/35/47/49/526354749.db2.gz YJLNFWNBMXGSMC-HXUWFJFHSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1csc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000266143695 526439797 /nfs/dbraw/zinc/43/97/97/526439797.db2.gz HYYYGTOZTDQQKY-MRXNPFEDSA-N 1 0 301.459 3.758 20 10 DHCDRO Cc1nc(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)no1 ZINC000156528733 526782495 /nfs/dbraw/zinc/78/24/95/526782495.db2.gz XTWPFCVHRWPDHT-UHFFFAOYSA-N 1 0 323.396 3.616 20 10 DHCDRO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c2n1CCCC2 ZINC000364902934 526890983 /nfs/dbraw/zinc/89/09/83/526890983.db2.gz DSUBVBARXRUGQV-AWEZNQCLSA-N 1 0 313.445 3.701 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(F)cccc2SC)c1 ZINC000285555447 535752612 /nfs/dbraw/zinc/75/26/12/535752612.db2.gz MTEXBEJUQCYXOF-UHFFFAOYSA-N 1 0 321.417 3.942 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000271495430 535765153 /nfs/dbraw/zinc/76/51/53/535765153.db2.gz LCCSZFIPLONJBM-WBVHZDCISA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287319306 535804741 /nfs/dbraw/zinc/80/47/41/535804741.db2.gz DIEPMFUUKGWGBT-BLLLJJGKSA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864200 535808596 /nfs/dbraw/zinc/80/85/96/535808596.db2.gz NKPJJLPQIUBTFD-UKRRQHHQSA-N 1 0 314.433 3.512 20 10 DHCDRO COCCCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000287342714 536618903 /nfs/dbraw/zinc/61/89/03/536618903.db2.gz GLIRREZACROEBG-OAHLLOKOSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1O ZINC000283691600 536897118 /nfs/dbraw/zinc/89/71/18/536897118.db2.gz AHFUJRYMKGZCHB-ZDUSSCGKSA-N 1 0 301.386 3.574 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000246959881 1013250235 /nfs/dbraw/zinc/25/02/35/1013250235.db2.gz HUEKIXZQEXOKCD-INDMIFKZSA-N 1 0 302.462 3.751 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@@H](CC)c1ccccc1O ZINC000155314833 1013355099 /nfs/dbraw/zinc/35/50/99/1013355099.db2.gz YNLALQPGRBVTTL-INIZCTEOSA-N 1 0 300.402 3.817 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccn1 ZINC000894501205 1013397244 /nfs/dbraw/zinc/39/72/44/1013397244.db2.gz VAZQHEAETOCAPK-UHFFFAOYSA-N 1 0 318.442 3.506 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000155410609 1013462623 /nfs/dbraw/zinc/46/26/23/1013462623.db2.gz CWCJTJKIHGCTGN-PEBXRYMYSA-N 1 0 317.454 3.592 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925081542 1013502178 /nfs/dbraw/zinc/50/21/78/1013502178.db2.gz RGGIBKUUSLHPTJ-KRWDZBQOSA-N 1 0 315.848 3.887 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCSCC1 ZINC000709588783 1018846496 /nfs/dbraw/zinc/84/64/96/1018846496.db2.gz QRIQTPKJMGGOOR-GFCCVEGCSA-N 1 0 316.264 3.530 20 10 DHCDRO CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796675374 1013935068 /nfs/dbraw/zinc/93/50/68/1013935068.db2.gz NSBONVLRJQIRBS-QGZVFWFLSA-N 1 0 308.441 3.694 20 10 DHCDRO Cn1cncc1CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846803723 1032087955 /nfs/dbraw/zinc/08/79/55/1032087955.db2.gz GIDWNWXGEFRPOE-UHFFFAOYSA-N 1 0 313.445 3.503 20 10 DHCDRO COc1ccc(C[N@@H+]2CC3(CC=CC3)[C@H]2C(C)C)c(O)c1OC ZINC000895121189 1014472073 /nfs/dbraw/zinc/47/20/73/1014472073.db2.gz JRTHEIFJMPFEPS-GOSISDBHSA-N 1 0 317.429 3.586 20 10 DHCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000175985448 1014630272 /nfs/dbraw/zinc/63/02/72/1014630272.db2.gz WWFGMPYGINEIDU-UHFFFAOYSA-N 1 0 320.776 3.979 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(Cl)s2)cc1Cl ZINC000895152787 1014640087 /nfs/dbraw/zinc/64/00/87/1014640087.db2.gz WMIBSOKPQALJFK-UHFFFAOYSA-N 1 0 303.214 3.754 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2ccnc3ccccc23)c1O ZINC000895247757 1014988712 /nfs/dbraw/zinc/98/87/12/1014988712.db2.gz HUFKTJKIIVNGMM-UHFFFAOYSA-N 1 0 322.408 3.590 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2c(F)cccc2F)c1 ZINC000846843496 1032108333 /nfs/dbraw/zinc/10/83/33/1032108333.db2.gz DSLGKLFTRPTMKY-LBPRGKRZSA-N 1 0 321.367 3.962 20 10 DHCDRO Oc1cccc(Br)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000707129664 1015086429 /nfs/dbraw/zinc/08/64/29/1015086429.db2.gz ORWUPFJJXVHIQG-VXGBXAGGSA-N 1 0 310.235 3.777 20 10 DHCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000320218990 1015119618 /nfs/dbraw/zinc/11/96/18/1015119618.db2.gz SOVGDGGBXCBICU-GJZGRUSLSA-N 1 0 300.446 3.925 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000895690721 1015258587 /nfs/dbraw/zinc/25/85/87/1015258587.db2.gz KYXFUGWSSPNPQF-FUHWJXTLSA-N 1 0 301.361 3.516 20 10 DHCDRO Fc1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)c[nH]c2c1 ZINC000051189305 1015273084 /nfs/dbraw/zinc/27/30/84/1015273084.db2.gz RBGAWOLXRKJJPS-UHFFFAOYSA-N 1 0 310.372 3.574 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1O ZINC000895850954 1015333455 /nfs/dbraw/zinc/33/34/55/1015333455.db2.gz HDZXAAGKTUOPCB-VIFPVBQESA-N 1 0 316.348 3.804 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178229072 1015492607 /nfs/dbraw/zinc/49/26/07/1015492607.db2.gz QOIDQMYPCSWBOX-GJZGRUSLSA-N 1 0 320.452 3.892 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896529002 1015612925 /nfs/dbraw/zinc/61/29/25/1015612925.db2.gz VRDBVWYLSRSRNM-NSHDSACASA-N 1 0 324.396 3.582 20 10 DHCDRO COc1ccc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)c(O)c1OC ZINC000891802114 1015636462 /nfs/dbraw/zinc/63/64/62/1015636462.db2.gz NXOFKYLCHZSPIB-LBPRGKRZSA-N 1 0 317.385 3.728 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000216158919 1015674773 /nfs/dbraw/zinc/67/47/73/1015674773.db2.gz ZMDPNQSTEYYOAM-UHFFFAOYSA-N 1 0 321.424 3.827 20 10 DHCDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090972282 1015704096 /nfs/dbraw/zinc/70/40/96/1015704096.db2.gz DAGJUFABGHLWBI-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000093637678 1015780820 /nfs/dbraw/zinc/78/08/20/1015780820.db2.gz QGJBINGLCDNEHJ-IBGZPJMESA-N 1 0 315.388 3.722 20 10 DHCDRO COc1ccc(C[N@@H+]2CCCC23CCCCC3)c(O)c1OC ZINC000892125806 1016267408 /nfs/dbraw/zinc/26/74/08/1016267408.db2.gz NENJGXNPCYLRKR-UHFFFAOYSA-N 1 0 305.418 3.708 20 10 DHCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195326 1016397333 /nfs/dbraw/zinc/39/73/33/1016397333.db2.gz PQBLHSHROFIZLJ-DYVFJYSZSA-N 1 0 313.397 3.602 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000184968030 1016468570 /nfs/dbraw/zinc/46/85/70/1016468570.db2.gz CTMZPONAVIWFSS-INIZCTEOSA-N 1 0 321.424 3.780 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000184998707 1016490731 /nfs/dbraw/zinc/49/07/31/1016490731.db2.gz YRARBMVJBWRLHP-DLBZAZTESA-N 1 0 310.441 3.878 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000185080024 1016546893 /nfs/dbraw/zinc/54/68/93/1016546893.db2.gz CICFSMUKIDNVMH-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)COc2cccc(C)c2)c1 ZINC000185103814 1016565850 /nfs/dbraw/zinc/56/58/50/1016565850.db2.gz FYOAZPXZIGZOSC-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342066 1016861399 /nfs/dbraw/zinc/86/13/99/1016861399.db2.gz GONVELZPDJFKJN-AWEZNQCLSA-N 1 0 322.449 3.608 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185370279 1016883657 /nfs/dbraw/zinc/88/36/57/1016883657.db2.gz VZOSCJCTCZNXGF-MAUKXSAKSA-N 1 0 321.420 3.800 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000185489967 1016942446 /nfs/dbraw/zinc/94/24/46/1016942446.db2.gz DVSNQGZXRRYDPG-NSHDSACASA-N 1 0 324.471 3.690 20 10 DHCDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000840775493 1016955222 /nfs/dbraw/zinc/95/52/22/1016955222.db2.gz PWWPZTORNKUMPF-ZIAGYGMSSA-N 1 0 302.393 3.988 20 10 DHCDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc2ccccc2c1O ZINC000185540451 1016990821 /nfs/dbraw/zinc/99/08/21/1016990821.db2.gz VNPPYSZUVWADJR-CYBMUJFWSA-N 1 0 315.413 3.928 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185574556 1017025006 /nfs/dbraw/zinc/02/50/06/1017025006.db2.gz BRVVUOCVTYMBIN-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2C)c1 ZINC000185575249 1017020454 /nfs/dbraw/zinc/02/04/54/1017020454.db2.gz OOAGVLHCSHBBLR-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185578895 1017028416 /nfs/dbraw/zinc/02/84/16/1017028416.db2.gz IVABUWGZUMLYNV-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3(C4CCC4)CCC3)CC2)cc1 ZINC000840812430 1017065962 /nfs/dbraw/zinc/06/59/62/1017065962.db2.gz MBIPQNNCVSPHNN-UHFFFAOYSA-N 1 0 314.473 3.976 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c(O)c1 ZINC000192931233 1017228400 /nfs/dbraw/zinc/22/84/00/1017228400.db2.gz GAJZLKQJRTZZNJ-OAHLLOKOSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@]2(C)c2cccs2)c1 ZINC000362035636 1032203755 /nfs/dbraw/zinc/20/37/55/1032203755.db2.gz DHYWPXXCMTWYSY-CXAGYDPISA-N 1 0 303.427 3.530 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H]3C)cc2)CC1 ZINC000294960558 1032225081 /nfs/dbraw/zinc/22/50/81/1032225081.db2.gz KXTYABFLRMSRRS-HZPDHXFCSA-N 1 0 302.462 3.532 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295070047 1032264696 /nfs/dbraw/zinc/26/46/96/1032264696.db2.gz PFMCVKPMQXFOJU-IIYDPXPESA-N 1 0 313.397 3.964 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c(O)c1 ZINC000877530751 1033335761 /nfs/dbraw/zinc/33/57/61/1033335761.db2.gz WTZNHGVWRZYLQP-INIZCTEOSA-N 1 0 305.805 3.567 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1c(C)nn(C)c1C ZINC000772996892 1032480643 /nfs/dbraw/zinc/48/06/43/1032480643.db2.gz IFRXHZDOYNBNHI-QGZVFWFLSA-N 1 0 314.477 3.652 20 10 DHCDRO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC000093008319 1032520169 /nfs/dbraw/zinc/52/01/69/1032520169.db2.gz FBGUUWYKVCJETM-MRXNPFEDSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773006311 1032520950 /nfs/dbraw/zinc/52/09/50/1032520950.db2.gz DFAXNIHUYDJSHR-GQIGUUNPSA-N 1 0 312.457 3.568 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000093453562 1032537679 /nfs/dbraw/zinc/53/76/79/1032537679.db2.gz CRTVXAQWEWWDJT-SFHVURJKSA-N 1 0 312.413 3.831 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773033930 1032535779 /nfs/dbraw/zinc/53/57/79/1032535779.db2.gz BQYDUGULQAKFBK-QAPCUYQASA-N 1 0 304.478 3.999 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773038746 1032537043 /nfs/dbraw/zinc/53/70/43/1032537043.db2.gz BOHQVUKCDMGDFN-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO CC(C)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000773045870 1032538738 /nfs/dbraw/zinc/53/87/38/1032538738.db2.gz YFHGCQAYAYNFMC-HNNXBMFYSA-N 1 0 320.452 3.749 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000773101315 1032560909 /nfs/dbraw/zinc/56/09/09/1032560909.db2.gz BIBVUVFOVIIMQA-LPHOPBHVSA-N 1 0 316.489 3.879 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1 ZINC000773108112 1032562250 /nfs/dbraw/zinc/56/22/50/1032562250.db2.gz OYNCRAYZMSHDNE-MAUKXSAKSA-N 1 0 306.494 3.836 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773145013 1032575555 /nfs/dbraw/zinc/57/55/55/1032575555.db2.gz HIRHGSHGOBBEHT-HOCLYGCPSA-N 1 0 320.452 3.892 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(C)C)C3)cc2)CC1 ZINC000828030180 1012372944 /nfs/dbraw/zinc/37/29/44/1012372944.db2.gz BOHCNOPRLWGDSB-GOSISDBHSA-N 1 0 316.489 3.780 20 10 DHCDRO Cc1cc(O)c(CN(C)Cc2nc3c(s2)CCCC3)cc1C ZINC000083115181 1012710127 /nfs/dbraw/zinc/71/01/27/1012710127.db2.gz RVTDQBKNJWBEJB-UHFFFAOYSA-N 1 0 316.470 3.976 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185744657 1017144352 /nfs/dbraw/zinc/14/43/52/1017144352.db2.gz KCQPWDWWRKSJIO-MEDUHNTESA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1C[C@H]1C ZINC000840719039 1017325322 /nfs/dbraw/zinc/32/53/22/1017325322.db2.gz GGMLGJWSFYPNHE-XNJGSVPQSA-N 1 0 324.415 3.891 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000716287927 1032692921 /nfs/dbraw/zinc/69/29/21/1032692921.db2.gz GKMFRVDFKPESDJ-SJLPKXTDSA-N 1 0 310.441 3.626 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550951 1032696608 /nfs/dbraw/zinc/69/66/08/1032696608.db2.gz NUWGKHHGHUJIKS-GDBMZVCRSA-N 1 0 306.425 3.646 20 10 DHCDRO CC(C)N1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185881611 1017491670 /nfs/dbraw/zinc/49/16/70/1017491670.db2.gz YMQFPLXQZMASCM-OAHLLOKOSA-N 1 0 316.489 3.794 20 10 DHCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363155 1032707241 /nfs/dbraw/zinc/70/72/41/1032707241.db2.gz DAXJGRAJKWLYFM-ZDUSSCGKSA-N 1 0 301.817 3.996 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000186033830 1017649994 /nfs/dbraw/zinc/64/99/94/1017649994.db2.gz ZNMKVENZJFWLNH-CYBMUJFWSA-N 1 0 316.470 3.929 20 10 DHCDRO Cc1cc(C[NH2+]C2CCN(C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000325114404 1017935456 /nfs/dbraw/zinc/93/54/56/1017935456.db2.gz KOWSXDBHKHATPT-UHFFFAOYSA-N 1 0 323.484 3.811 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1O ZINC000021813043 1017957012 /nfs/dbraw/zinc/95/70/12/1017957012.db2.gz FULNAERMOQKNBL-UHFFFAOYSA-N 1 0 305.805 3.777 20 10 DHCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCOCc1ccccc1 ZINC000700903652 1017974668 /nfs/dbraw/zinc/97/46/68/1017974668.db2.gz FDFYITYHIMLSAF-UHFFFAOYSA-N 1 0 310.441 3.505 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000113315215 1018014418 /nfs/dbraw/zinc/01/44/18/1018014418.db2.gz LYNSHYDTLJZZPD-UHFFFAOYSA-N 1 0 315.804 3.575 20 10 DHCDRO COc1cc(Cl)cc(CNc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841029190 1018027079 /nfs/dbraw/zinc/02/70/79/1018027079.db2.gz VKZRBZBSXJAHQO-SNVBAGLBSA-N 1 0 306.793 3.686 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)c1 ZINC000161540133 1018062631 /nfs/dbraw/zinc/06/26/31/1018062631.db2.gz BNMDLPHJYVGNPJ-AWEZNQCLSA-N 1 0 313.397 3.633 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)CCC4)CCC2)n1 ZINC000764113830 1018157410 /nfs/dbraw/zinc/15/74/10/1018157410.db2.gz YJSDIDOCXSIIMS-UHFFFAOYSA-N 1 0 314.454 3.815 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CC1(C)C ZINC000785426260 1018198741 /nfs/dbraw/zinc/19/87/41/1018198741.db2.gz LXCXYVRPMZKJSY-RHSMWYFYSA-N 1 0 304.503 3.764 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926917248 1032749544 /nfs/dbraw/zinc/74/95/44/1032749544.db2.gz SZZGXJYQIVALIJ-DRCTWCGVSA-N 1 0 321.314 3.682 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cc(Br)ccc1O ZINC000702632895 1018222254 /nfs/dbraw/zinc/22/22/54/1018222254.db2.gz KVDNIECDICWUAQ-BXKDBHETSA-N 1 0 304.203 3.944 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cc(Br)ccc1O ZINC000702632899 1018223163 /nfs/dbraw/zinc/22/31/63/1018223163.db2.gz KVDNIECDICWUAQ-JOYOIKCWSA-N 1 0 304.203 3.944 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702765123 1018239322 /nfs/dbraw/zinc/23/93/22/1018239322.db2.gz CRFMDPMFTYDABQ-UHFFFAOYSA-N 1 0 320.177 3.776 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764535135 1018307218 /nfs/dbraw/zinc/30/72/18/1018307218.db2.gz ZNVQKUPPUAQCKF-HNNXBMFYSA-N 1 0 321.484 3.807 20 10 DHCDRO CCN(CC)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764542668 1018309846 /nfs/dbraw/zinc/30/98/46/1018309846.db2.gz AAQHNOCJTJQGQZ-MRXNPFEDSA-N 1 0 321.484 3.808 20 10 DHCDRO CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000764654034 1018338305 /nfs/dbraw/zinc/33/83/05/1018338305.db2.gz IZXJODCNCJDSOM-SFHVURJKSA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764755360 1018362171 /nfs/dbraw/zinc/36/21/71/1018362171.db2.gz PZMRQRWRGQRSLF-HNNXBMFYSA-N 1 0 308.441 3.749 20 10 DHCDRO Cc1cc(NCCCSc2nccs2)nc(C2CC2)n1 ZINC000734832785 1018362949 /nfs/dbraw/zinc/36/29/49/1018362949.db2.gz ADTBTXQVRDSINZ-UHFFFAOYSA-N 1 0 306.460 3.713 20 10 DHCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000178863425 1018383575 /nfs/dbraw/zinc/38/35/75/1018383575.db2.gz OLLWTTWTHSDBBK-UHFFFAOYSA-N 1 0 324.424 3.526 20 10 DHCDRO CC[C@H]([NH2+]CCc1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000764882094 1018416025 /nfs/dbraw/zinc/41/60/25/1018416025.db2.gz YPTRXBZTAGNHQO-INIZCTEOSA-N 1 0 303.475 3.801 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000764930458 1018431949 /nfs/dbraw/zinc/43/19/49/1018431949.db2.gz SQTOMHQVLNFZIZ-ULQDDVLXSA-N 1 0 303.494 3.666 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000766145661 1018501257 /nfs/dbraw/zinc/50/12/57/1018501257.db2.gz RDXMNFJBBSQRPH-AWEZNQCLSA-N 1 0 306.450 3.525 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000858108296 1032768430 /nfs/dbraw/zinc/76/84/30/1032768430.db2.gz BMWSCBNBSXJRCJ-QBTDHISASA-N 1 0 314.473 3.608 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000765334136 1018759013 /nfs/dbraw/zinc/75/90/13/1018759013.db2.gz KLTNHHQPALTVSV-RDJZCZTQSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765322842 1018759023 /nfs/dbraw/zinc/75/90/23/1018759023.db2.gz MSJNLVHZLGXXRY-CQSZACIVSA-N 1 0 306.425 3.503 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000706808445 1018762786 /nfs/dbraw/zinc/76/27/86/1018762786.db2.gz PJKUJXDAHVYLHH-GFCCVEGCSA-N 1 0 318.214 3.584 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765394122 1018772772 /nfs/dbraw/zinc/77/27/72/1018772772.db2.gz NAUURNUPVFNLJW-ZIAGYGMSSA-N 1 0 322.880 3.873 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000765443398 1018786996 /nfs/dbraw/zinc/78/69/96/1018786996.db2.gz FOFUCJNSDUIPNT-HZPDHXFCSA-N 1 0 304.478 3.969 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC000765442096 1018793404 /nfs/dbraw/zinc/79/34/04/1018793404.db2.gz RHIKLBCXCAJCEX-SJORKVTESA-N 1 0 303.494 3.524 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c1O ZINC000842892301 1018832797 /nfs/dbraw/zinc/83/27/97/1018832797.db2.gz AYRKPRZSCRAXMX-GFCCVEGCSA-N 1 0 305.805 3.697 20 10 DHCDRO CN(Cc1c(O)cccc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001137841694 1018860097 /nfs/dbraw/zinc/86/00/97/1018860097.db2.gz QHPOBOQPESYRGK-UHFFFAOYSA-N 1 0 320.452 3.760 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765936839 1018909973 /nfs/dbraw/zinc/90/99/73/1018909973.db2.gz UBUDLJNQPLHVSI-AUUYWEPGSA-N 1 0 320.452 3.628 20 10 DHCDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765631598 1019014337 /nfs/dbraw/zinc/01/43/37/1019014337.db2.gz STPRMKFSZAOOQW-HUUCEWRRSA-N 1 0 308.441 3.892 20 10 DHCDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134922427 1019050840 /nfs/dbraw/zinc/05/08/40/1019050840.db2.gz YFTMHUYYQVAVSX-IUCAKERBSA-N 1 0 304.253 3.557 20 10 DHCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2O)nc1 ZINC000858241998 1032811495 /nfs/dbraw/zinc/81/14/95/1032811495.db2.gz MFBYJMNAUVQMQX-UHFFFAOYSA-N 1 0 304.821 3.816 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(C)n1 ZINC000921963936 1019225890 /nfs/dbraw/zinc/22/58/90/1019225890.db2.gz XVRQZRHSWBHKNW-UHFFFAOYSA-N 1 0 313.445 3.606 20 10 DHCDRO Cc1cnc(Cl)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000922015512 1019313263 /nfs/dbraw/zinc/31/32/63/1019313263.db2.gz QSNXOQXHIVHPDB-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000192744025 1032830224 /nfs/dbraw/zinc/83/02/24/1032830224.db2.gz OTBRUDSLNOPDQR-WBVHZDCISA-N 1 0 314.429 3.781 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091958292 1019496955 /nfs/dbraw/zinc/49/69/55/1019496955.db2.gz VTOHHIYIOVPTIC-HOCLYGCPSA-N 1 0 321.804 3.727 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858299192 1032835708 /nfs/dbraw/zinc/83/57/08/1032835708.db2.gz QPWUWUJZTFFSER-UYAOXDASSA-N 1 0 309.409 3.716 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)cc1C ZINC001168705082 1019626824 /nfs/dbraw/zinc/62/68/24/1019626824.db2.gz RJEWUIBJKLJWBV-OAHLLOKOSA-N 1 0 301.817 3.914 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3ccc(Cl)cc31)OCO2 ZINC000858321331 1032847846 /nfs/dbraw/zinc/84/78/46/1032847846.db2.gz ZCSCXDXSJGASAK-AWEZNQCLSA-N 1 0 317.772 3.551 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC(C)(C)N(C)C)cc1 ZINC000727643046 1019743273 /nfs/dbraw/zinc/74/32/73/1019743273.db2.gz ZGMNLJCDXJZBDQ-UHFFFAOYSA-N 1 0 305.510 3.743 20 10 DHCDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727838907 1019819338 /nfs/dbraw/zinc/81/93/38/1019819338.db2.gz PSBDYYZCVCMRGL-AZUAARDMSA-N 1 0 316.489 3.972 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1O ZINC000309647216 1019922604 /nfs/dbraw/zinc/92/26/04/1019922604.db2.gz DDHQLKZRCXHFQF-BXWFABGCSA-N 1 0 310.441 3.706 20 10 DHCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000280599653 1019954750 /nfs/dbraw/zinc/95/47/50/1019954750.db2.gz NYNZPVMYDCUTQP-UHFFFAOYSA-N 1 0 309.457 3.713 20 10 DHCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2O)CC1 ZINC001203556501 1020093579 /nfs/dbraw/zinc/09/35/79/1020093579.db2.gz RAFJPMIHFPKOPB-UHFFFAOYSA-N 1 0 309.409 3.515 20 10 DHCDRO CCc1cc(C[N@H+](C)CCn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000732185686 1020208949 /nfs/dbraw/zinc/20/89/49/1020208949.db2.gz BPWDIBHTDVCVRA-UHFFFAOYSA-N 1 0 315.461 3.581 20 10 DHCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783337 1032884264 /nfs/dbraw/zinc/88/42/64/1032884264.db2.gz OVFRWHCTESVHPG-KRWDZBQOSA-N 1 0 307.368 3.942 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)c(O)c1OC ZINC000892430182 1020282208 /nfs/dbraw/zinc/28/22/08/1020282208.db2.gz ADQHFQNJQUCGAK-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCS[C@@H](C)C3)CC2)cc1 ZINC000922836208 1020293961 /nfs/dbraw/zinc/29/39/61/1020293961.db2.gz BDIQSWVSIDQROX-GOEBONIOSA-N 1 0 320.502 3.538 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)C(C)(C)C)CC2)cc1 ZINC000766004484 1020326770 /nfs/dbraw/zinc/32/67/70/1020326770.db2.gz DCJDLDQBFYCFIG-HNNXBMFYSA-N 1 0 304.478 3.936 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000780895483 1020347751 /nfs/dbraw/zinc/34/77/51/1020347751.db2.gz VJCUGXUYZVZLTB-UHFFFAOYSA-N 1 0 309.457 3.602 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733322547 1020369511 /nfs/dbraw/zinc/36/95/11/1020369511.db2.gz LYHYXEULVBDHBY-UHFFFAOYSA-N 1 0 316.420 3.541 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000733323231 1020369646 /nfs/dbraw/zinc/36/96/46/1020369646.db2.gz RNXGIZMYWJVDAJ-QGZVFWFLSA-N 1 0 314.429 3.610 20 10 DHCDRO Cc1cccc(OCCC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733322285 1020370704 /nfs/dbraw/zinc/37/07/04/1020370704.db2.gz GIGHEXIROQTBLG-UHFFFAOYSA-N 1 0 305.805 3.913 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000765819664 1020392600 /nfs/dbraw/zinc/39/26/00/1020392600.db2.gz VOHQHAMSAMMTMB-ILHHOCCXSA-N 1 0 305.393 3.627 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000179558649 1020406293 /nfs/dbraw/zinc/40/62/93/1020406293.db2.gz BBQHQXXYEUGRNS-HXUWFJFHSA-N 1 0 304.393 3.799 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Cl)cc1O ZINC000858454423 1032903775 /nfs/dbraw/zinc/90/37/75/1032903775.db2.gz FJCYYOBIJSXOFA-WBMJQRKESA-N 1 0 317.816 3.838 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000766028074 1020481418 /nfs/dbraw/zinc/48/14/18/1020481418.db2.gz DGMXHOLLFGIHQT-KRWDZBQOSA-N 1 0 316.832 3.938 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000766030746 1020493291 /nfs/dbraw/zinc/49/32/91/1020493291.db2.gz XAKOYXTZGJRAQP-GOSISDBHSA-N 1 0 314.404 3.814 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000766030756 1020493630 /nfs/dbraw/zinc/49/36/30/1020493630.db2.gz XCPWIWYSVVRGGQ-HNNXBMFYSA-N 1 0 310.441 3.942 20 10 DHCDRO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765855163 1020520520 /nfs/dbraw/zinc/52/05/20/1020520520.db2.gz UWONQNWBCMMYRX-IXDOHACOSA-N 1 0 303.494 3.666 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765873830 1020535125 /nfs/dbraw/zinc/53/51/25/1020535125.db2.gz WVYRQIUHUQSEHB-NVXWUHKLSA-N 1 0 310.441 3.970 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000858490191 1032916193 /nfs/dbraw/zinc/91/61/93/1032916193.db2.gz CTVWVHZYGQTULU-CZUORRHYSA-N 1 0 310.869 3.818 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044227 1020581537 /nfs/dbraw/zinc/58/15/37/1020581537.db2.gz OAVZHBLECBDQRM-LIRRHRJNSA-N 1 0 324.472 3.969 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000734844636 1020668113 /nfs/dbraw/zinc/66/81/13/1020668113.db2.gz SUMQGHXVTAUSKJ-NRFANRHFSA-N 1 0 324.468 3.574 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)cc1F ZINC000735323951 1020718917 /nfs/dbraw/zinc/71/89/17/1020718917.db2.gz IMISOGGVEKGTAW-HNNXBMFYSA-N 1 0 312.432 3.786 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CSc3ccccc32)c(O)c1 ZINC000735509115 1020741625 /nfs/dbraw/zinc/74/16/25/1020741625.db2.gz UZZSKVKLWVKTRF-HNNXBMFYSA-N 1 0 301.411 3.728 20 10 DHCDRO Oc1ccccc1C[N@H+](CCN1CCCCC1)C1CCCC1 ZINC000736946983 1020837525 /nfs/dbraw/zinc/83/75/25/1020837525.db2.gz ZGCCAITXLKGVHU-UHFFFAOYSA-N 1 0 302.462 3.623 20 10 DHCDRO Oc1ccc2ccccc2c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000738267842 1020867339 /nfs/dbraw/zinc/86/73/39/1020867339.db2.gz FKFPOSJDBWBXHQ-UHFFFAOYSA-N 1 0 324.468 3.996 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)c(C)n1-c1ccccc1 ZINC000858543093 1032938763 /nfs/dbraw/zinc/93/87/63/1032938763.db2.gz QAUOGFZUNBWYPG-IBGZPJMESA-N 1 0 320.440 3.984 20 10 DHCDRO CCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(O)c1 ZINC000740017772 1020926983 /nfs/dbraw/zinc/92/69/83/1020926983.db2.gz AIFIARAMUXREKE-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO C[N@H+](Cc1ccc(Oc2ccccc2)nn1)Cc1ccccc1O ZINC000766248072 1020931821 /nfs/dbraw/zinc/93/18/21/1020931821.db2.gz FAVMGJIVBFMRMJ-UHFFFAOYSA-N 1 0 321.380 3.607 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000740859202 1020953912 /nfs/dbraw/zinc/95/39/12/1020953912.db2.gz JHRQIDJWSYWAEU-CHWSQXEVSA-N 1 0 313.397 3.562 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1(C)C ZINC000740863622 1020957290 /nfs/dbraw/zinc/95/72/90/1020957290.db2.gz VMNBLDQLJOGMBZ-QZTJIDSGSA-N 1 0 303.446 3.516 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000858562052 1032947163 /nfs/dbraw/zinc/94/71/63/1032947163.db2.gz BGIBLHSZTPKZKS-OAHLLOKOSA-N 1 0 311.429 3.628 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850535778 1021072476 /nfs/dbraw/zinc/07/24/76/1021072476.db2.gz BIXGBPMSXIFOFW-QPUJVOFHSA-N 1 0 320.177 3.851 20 10 DHCDRO Oc1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)CCC2 ZINC000742165942 1021094197 /nfs/dbraw/zinc/09/41/97/1021094197.db2.gz LWIMMTORZBOZNU-LJQANCHMSA-N 1 0 315.457 3.805 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCOC1 ZINC000742380883 1021108332 /nfs/dbraw/zinc/10/83/32/1021108332.db2.gz SNAFXTHZCHEEFE-NVXWUHKLSA-N 1 0 308.441 3.577 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370742 1021113126 /nfs/dbraw/zinc/11/31/26/1021113126.db2.gz LFJUJWFPEMEIMC-MRXNPFEDSA-N 1 0 313.397 3.631 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000742372970 1021113568 /nfs/dbraw/zinc/11/35/68/1021113568.db2.gz ABYSIKFBNQVKJI-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000742375629 1021114163 /nfs/dbraw/zinc/11/41/63/1021114163.db2.gz SRFYMWWKYLFNRA-DNVCBOLYSA-N 1 0 310.441 3.632 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c(O)c1OC ZINC000892629568 1021123178 /nfs/dbraw/zinc/12/31/78/1021123178.db2.gz CEFJBWOWBHGDIY-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000858585418 1032958000 /nfs/dbraw/zinc/95/80/00/1032958000.db2.gz HCZWRTKMGWHYHI-BPUTZDHNSA-N 1 0 306.425 3.644 20 10 DHCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742709227 1021148991 /nfs/dbraw/zinc/14/89/91/1021148991.db2.gz AFBHBHFZQQMMCI-MRXNPFEDSA-N 1 0 313.441 3.948 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000176985731 1021190926 /nfs/dbraw/zinc/19/09/26/1021190926.db2.gz MYMMWQISRJXXOH-WDEREUQCSA-N 1 0 304.321 3.851 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000176983575 1021191895 /nfs/dbraw/zinc/19/18/95/1021191895.db2.gz MYCAJWVNMCDFSX-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000176985715 1021192529 /nfs/dbraw/zinc/19/25/29/1021192529.db2.gz MYMMWQISRJXXOH-MNOVXSKESA-N 1 0 304.321 3.851 20 10 DHCDRO C[C@H]1C[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000917414812 1021258129 /nfs/dbraw/zinc/25/81/29/1021258129.db2.gz NHZAYAKIEUWCNL-STQMWFEESA-N 1 0 315.413 3.626 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1C ZINC000917486370 1021279027 /nfs/dbraw/zinc/27/90/27/1021279027.db2.gz YHAQIUIWOMZRDS-UHFFFAOYSA-N 1 0 310.441 3.721 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1C ZINC000743408856 1021288850 /nfs/dbraw/zinc/28/88/50/1021288850.db2.gz OZLQBUBXEKDNAR-LPHOPBHVSA-N 1 0 311.425 3.971 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2[nH]cnc2c1 ZINC001137049109 1021313146 /nfs/dbraw/zinc/31/31/46/1021313146.db2.gz ZFQYQLKMZKMRNS-UHFFFAOYSA-N 1 0 308.429 3.651 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)cc1 ZINC000850010667 1021395054 /nfs/dbraw/zinc/39/50/54/1021395054.db2.gz FWTQWJNOKSQRHN-UHFFFAOYSA-N 1 0 324.346 3.783 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(F)c(F)c1F ZINC000850139763 1021424969 /nfs/dbraw/zinc/42/49/69/1021424969.db2.gz SBMHZHZRBGAGHL-UHFFFAOYSA-N 1 0 308.347 3.768 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cc1 ZINC000918066669 1021437515 /nfs/dbraw/zinc/43/75/15/1021437515.db2.gz IAHQXDGXEKYCQS-UHFFFAOYSA-N 1 0 310.441 3.579 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850281091 1021463422 /nfs/dbraw/zinc/46/34/22/1021463422.db2.gz OOJORERTEDMWAF-GFCCVEGCSA-N 1 0 309.475 3.541 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CSC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295105 1021467948 /nfs/dbraw/zinc/46/79/48/1021467948.db2.gz RZTAEAYQVPTJGR-IAQYHMDHSA-N 1 0 309.475 3.539 20 10 DHCDRO CCOCC(C)(C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850310665 1021471018 /nfs/dbraw/zinc/47/10/18/1021471018.db2.gz JUHUHQXKIZEBKQ-UHFFFAOYSA-N 1 0 309.450 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@](C)(OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850305928 1021471130 /nfs/dbraw/zinc/47/11/30/1021471130.db2.gz MGRXWRLHMZCORY-IBGZPJMESA-N 1 0 321.461 3.603 20 10 DHCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000850327510 1021475222 /nfs/dbraw/zinc/47/52/22/1021475222.db2.gz GRFHEHGSAHNXMQ-GJZGRUSLSA-N 1 0 321.461 3.746 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]C/C=C\c3ccccc3)C2)cc1 ZINC000850346345 1021480857 /nfs/dbraw/zinc/48/08/57/1021480857.db2.gz RZNZJHUPNRTDOY-MTIYJEKLSA-N 1 0 308.425 3.577 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C/C=C\CO)c(O)c(C(C)(C)C)c1 ZINC000850357468 1021485110 /nfs/dbraw/zinc/48/51/10/1021485110.db2.gz KNTMCWLNHZXSNX-FPLPWBNLSA-N 1 0 305.462 3.625 20 10 DHCDRO COCc1csc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000850377554 1021498855 /nfs/dbraw/zinc/49/88/55/1021498855.db2.gz KGQIPMDFRAYWMW-UHFFFAOYSA-N 1 0 311.834 3.852 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1C ZINC000850382039 1021501200 /nfs/dbraw/zinc/50/12/00/1021501200.db2.gz NGMNHUKZJIJPKF-QGZVFWFLSA-N 1 0 302.462 3.506 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386956 1021503640 /nfs/dbraw/zinc/50/36/40/1021503640.db2.gz NHORKDJZOVJXBX-XQQSMPNESA-N 1 0 308.425 3.749 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394743 1021507470 /nfs/dbraw/zinc/50/74/70/1021507470.db2.gz BQVLHJMBHZWGKK-PMACEKPBSA-N 1 0 313.441 3.851 20 10 DHCDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850394901 1021507794 /nfs/dbraw/zinc/50/77/94/1021507794.db2.gz HSBWWIWVEGKJLZ-ROUUACIJSA-N 1 0 319.832 3.893 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420617 1021522151 /nfs/dbraw/zinc/52/21/51/1021522151.db2.gz PXYMFRILTRHXQJ-DYESRHJHSA-N 1 0 324.468 3.889 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCCSCC1 ZINC000850424760 1021523738 /nfs/dbraw/zinc/52/37/38/1021523738.db2.gz MTBAMGIVCBINOM-INIZCTEOSA-N 1 0 322.543 3.615 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCCO2 ZINC000850422043 1021523899 /nfs/dbraw/zinc/52/38/99/1021523899.db2.gz DGEQJBZZKDPLIN-HNNXBMFYSA-N 1 0 310.441 3.928 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)CC1 ZINC000850432617 1021528328 /nfs/dbraw/zinc/52/83/28/1021528328.db2.gz CLYPSIRHBFPVMC-LJQANCHMSA-N 1 0 324.472 3.744 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000850474842 1021554127 /nfs/dbraw/zinc/55/41/27/1021554127.db2.gz QUGIVPAIJQASFB-WBVHZDCISA-N 1 0 306.519 3.867 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3csc(C)c3)C2)cc1 ZINC000850485622 1021558096 /nfs/dbraw/zinc/55/80/96/1021558096.db2.gz ACOOSOQVBFSZMV-HOCLYGCPSA-N 1 0 316.470 3.995 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccs3)C2)cc1 ZINC000850486239 1021558492 /nfs/dbraw/zinc/55/84/92/1021558492.db2.gz BDXPIBSMHKANQE-KBPBESRZSA-N 1 0 302.443 3.686 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000850486152 1021559369 /nfs/dbraw/zinc/55/93/69/1021559369.db2.gz GWJOWDKKGPFLCW-QAPCUYQASA-N 1 0 300.446 3.586 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489993 1021561509 /nfs/dbraw/zinc/56/15/09/1021561509.db2.gz ZLGRDPYLSLAQPD-HUUCEWRRSA-N 1 0 314.429 3.780 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488932 1021561577 /nfs/dbraw/zinc/56/15/77/1021561577.db2.gz PPZYMHBTCMMNTQ-GJZGRUSLSA-N 1 0 300.402 3.526 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C2)cc1 ZINC000850487431 1021561845 /nfs/dbraw/zinc/56/18/45/1021561845.db2.gz GYTWYXIVTJEOKW-QWHCGFSZSA-N 1 0 316.367 3.595 20 10 DHCDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511034 1021567921 /nfs/dbraw/zinc/56/79/21/1021567921.db2.gz YRHGHSCRCBNEHY-KBPBESRZSA-N 1 0 306.837 3.546 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000850508987 1021568414 /nfs/dbraw/zinc/56/84/14/1021568414.db2.gz WVIFPFAIFIUAOL-HNNXBMFYSA-N 1 0 310.441 3.868 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1O ZINC000850526435 1021580780 /nfs/dbraw/zinc/58/07/80/1021580780.db2.gz CCGGTSSVOKTVQQ-QXKQMHMISA-N 1 0 303.789 3.875 20 10 DHCDRO CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(C)cc1O ZINC000850533379 1021587111 /nfs/dbraw/zinc/58/71/11/1021587111.db2.gz WWFYCIVYFZEIEO-IMJJTQAJSA-N 1 0 311.372 3.556 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1O ZINC000850535337 1021589889 /nfs/dbraw/zinc/58/98/89/1021589889.db2.gz VGVOTVCAZVFLFA-OAHLLOKOSA-N 1 0 319.836 3.897 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850535300 1021590570 /nfs/dbraw/zinc/59/05/70/1021590570.db2.gz UPXRHJQDJHQDBY-CQSZACIVSA-N 1 0 312.461 3.604 20 10 DHCDRO CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(C)cc1O ZINC000850565976 1021609035 /nfs/dbraw/zinc/60/90/35/1021609035.db2.gz ITMFOTRGUZKPCO-CQSZACIVSA-N 1 0 313.388 3.682 20 10 DHCDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850567321 1021610607 /nfs/dbraw/zinc/61/06/07/1021610607.db2.gz ZKPWIPZCZNQQCN-QGZVFWFLSA-N 1 0 324.468 3.807 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569989 1021613168 /nfs/dbraw/zinc/61/31/68/1021613168.db2.gz PGEQKLFSSJFPHC-JTQLQIEISA-N 1 0 311.303 3.984 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1O ZINC000850572499 1021614102 /nfs/dbraw/zinc/61/41/02/1021614102.db2.gz KUGMCZUMHSPECB-LXIYXOSZSA-N 1 0 319.832 3.861 20 10 DHCDRO CC[C@@H]([NH2+]CCC1SCCS1)c1ccc(N(C)C)cc1 ZINC000850571067 1021614967 /nfs/dbraw/zinc/61/49/67/1021614967.db2.gz QCUVASISTCIRAT-OAHLLOKOSA-N 1 0 310.532 3.990 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC2SCCS2)cc1 ZINC000850571373 1021615367 /nfs/dbraw/zinc/61/53/67/1021615367.db2.gz UPHSGCKROXKNGG-ZDUSSCGKSA-N 1 0 310.532 3.990 20 10 DHCDRO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Cl)ccc1O ZINC000850572114 1021615381 /nfs/dbraw/zinc/61/53/81/1021615381.db2.gz BEFCEKSKCMUNAD-LBPRGKRZSA-N 1 0 324.852 3.522 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766331782 1021709029 /nfs/dbraw/zinc/70/90/29/1021709029.db2.gz VMNREGTTZNHGNK-JCURWCKSSA-N 1 0 307.434 3.644 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnc(Cl)c1 ZINC000122454715 1021716607 /nfs/dbraw/zinc/71/66/07/1021716607.db2.gz BQJKYHQQPWKNBL-NSHDSACASA-N 1 0 307.800 3.791 20 10 DHCDRO Oc1ccccc1C[N@H+](CCc1cccs1)C[C@H]1CCCO1 ZINC000109761871 1021744719 /nfs/dbraw/zinc/74/47/19/1021744719.db2.gz ZKGONFFMDRHMQU-MRXNPFEDSA-N 1 0 317.454 3.677 20 10 DHCDRO CO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CCC1 ZINC000851840373 1022019991 /nfs/dbraw/zinc/01/99/91/1022019991.db2.gz DYKMNPJQBRXTLU-IBGZPJMESA-N 1 0 315.413 3.803 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000851897473 1022031732 /nfs/dbraw/zinc/03/17/32/1022031732.db2.gz QDWXZMFWRKTNHU-OGWHTMIXSA-N 1 0 314.473 3.610 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSCc2ccccc2)c1 ZINC000756354762 1022055188 /nfs/dbraw/zinc/05/51/88/1022055188.db2.gz CSTYKOUHRORTSK-CQSZACIVSA-N 1 0 317.454 3.985 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766399706 1022091794 /nfs/dbraw/zinc/09/17/94/1022091794.db2.gz WNCNNRIZNCABMG-VQIMIIECSA-N 1 0 312.457 3.661 20 10 DHCDRO CC[C@H]([NH2+]CC1CCC(OC)CC1)c1ccc(N(C)C)cc1 ZINC000766494186 1022127462 /nfs/dbraw/zinc/12/74/62/1022127462.db2.gz JQFULXOWXISGPY-PPSBMQLTSA-N 1 0 304.478 3.999 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1N(C)C ZINC000852596357 1022146785 /nfs/dbraw/zinc/14/67/85/1022146785.db2.gz LFCJBAFWWOUNDB-UYAOXDASSA-N 1 0 316.489 3.842 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCC(F)CC2)c1O ZINC000852650781 1022152256 /nfs/dbraw/zinc/15/22/56/1022152256.db2.gz RFLQNVXQPQTYIT-JKDOVBDQSA-N 1 0 311.372 3.740 20 10 DHCDRO C[C@H](CC[NH2+][C@H](C)c1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000183541069 1022180280 /nfs/dbraw/zinc/18/02/80/1022180280.db2.gz QMDWPXZUOFGKRC-IAGOWNOFSA-N 1 0 312.457 3.953 20 10 DHCDRO O=C(C=C1CC[NH2+]CC1)N1Cc2ccccc2-c2ccccc21 ZINC000852817260 1022181660 /nfs/dbraw/zinc/18/16/60/1022181660.db2.gz UEHWQASNNJKUGY-UHFFFAOYSA-N 1 0 304.393 3.510 20 10 DHCDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000183619906 1022213979 /nfs/dbraw/zinc/21/39/79/1022213979.db2.gz ZTOLPGJFSKJOMC-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO CCOc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)c(O)c1 ZINC000853095981 1022219463 /nfs/dbraw/zinc/21/94/63/1022219463.db2.gz IDJLARQDQNLWST-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241909 1022241691 /nfs/dbraw/zinc/24/16/91/1022241691.db2.gz YSFTWMVCEBYGTK-QAPCUYQASA-N 1 0 320.452 3.694 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)CC2 ZINC000853242102 1022242300 /nfs/dbraw/zinc/24/23/00/1022242300.db2.gz VVVJTNZBEKJBJO-ZDUSSCGKSA-N 1 0 308.303 3.583 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c(O)c1 ZINC000853239791 1022242865 /nfs/dbraw/zinc/24/28/65/1022242865.db2.gz DOYAEDREPCPGRN-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO C[C@@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]C1 ZINC000853306382 1022254943 /nfs/dbraw/zinc/25/49/43/1022254943.db2.gz WKBRRCXHNROLOV-GOSISDBHSA-N 1 0 323.400 3.976 20 10 DHCDRO FC(F)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921487261 1022263037 /nfs/dbraw/zinc/26/30/37/1022263037.db2.gz GKCMKSKZIAQLMT-UHFFFAOYSA-N 1 0 319.351 3.903 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000183671921 1022263342 /nfs/dbraw/zinc/26/33/42/1022263342.db2.gz APCCHODENFUAJY-CABCVRRESA-N 1 0 305.418 3.509 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000853565023 1022294635 /nfs/dbraw/zinc/29/46/35/1022294635.db2.gz YMTBGPRAAZPXIN-CYBMUJFWSA-N 1 0 309.425 3.967 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC(F)F ZINC000183401386 1022343462 /nfs/dbraw/zinc/34/34/62/1022343462.db2.gz QGHCGJKKGFGCHO-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(OC)c(OC)c1 ZINC000268808659 1022379505 /nfs/dbraw/zinc/37/95/05/1022379505.db2.gz GLIZHXCYGLAKCJ-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1C ZINC000183799541 1022412220 /nfs/dbraw/zinc/41/22/20/1022412220.db2.gz IFYUYNKSFZVPEZ-MRXNPFEDSA-N 1 0 319.445 3.563 20 10 DHCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000854230356 1022436054 /nfs/dbraw/zinc/43/60/54/1022436054.db2.gz NRDWDJAQIKEBPL-TVQRCGJNSA-N 1 0 305.249 3.723 20 10 DHCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000854230355 1022435789 /nfs/dbraw/zinc/43/57/89/1022435789.db2.gz NRDWDJAQIKEBPL-NOZJJQNGSA-N 1 0 305.249 3.723 20 10 DHCDRO COc1ccc(C[N@H+](Cc2cc(OC)ccc2O)C2CC2)cc1 ZINC000179609930 1022489250 /nfs/dbraw/zinc/48/92/50/1022489250.db2.gz GWSZOILHGBDXGB-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112380382 1022500329 /nfs/dbraw/zinc/50/03/29/1022500329.db2.gz UXGUNVURRFDMSU-VQIMIIECSA-N 1 0 304.478 3.564 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000273303805 1022534722 /nfs/dbraw/zinc/53/47/22/1022534722.db2.gz CEMSWKBNCDNJKD-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cc2c(cc1F)C[N@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000776782595 1022572952 /nfs/dbraw/zinc/57/29/52/1022572952.db2.gz QYBVUTWOOVQRPE-UHFFFAOYSA-N 1 0 315.388 3.715 20 10 DHCDRO Cc1cccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c1O ZINC000186474670 1022579434 /nfs/dbraw/zinc/57/94/34/1022579434.db2.gz HVWBSDTUTVMQOV-UHFFFAOYSA-N 1 0 312.388 3.664 20 10 DHCDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113335100 1022635114 /nfs/dbraw/zinc/63/51/14/1022635114.db2.gz HVQDEIZCXNJSAU-UHFFFAOYSA-N 1 0 316.420 3.925 20 10 DHCDRO Cc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1O ZINC000180242665 1022670770 /nfs/dbraw/zinc/67/07/70/1022670770.db2.gz UNTBENZDZFCWBJ-IBGZPJMESA-N 1 0 311.425 3.573 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccnc(F)c1)C1CCCC1 ZINC000859138097 1033078017 /nfs/dbraw/zinc/07/80/17/1033078017.db2.gz BWCJGROILJLDGA-UHFFFAOYSA-N 1 0 300.377 3.871 20 10 DHCDRO CCOC(C[N@H+](Cc1ccccc1O)C1CCCC1)OCC ZINC000767787458 1022811760 /nfs/dbraw/zinc/81/17/60/1022811760.db2.gz JTGSWCPAASFGBL-UHFFFAOYSA-N 1 0 307.434 3.536 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)cc1C ZINC001169982613 1022893958 /nfs/dbraw/zinc/89/39/58/1022893958.db2.gz PGSTYNOAPPQBNY-UHFFFAOYSA-N 1 0 306.450 3.504 20 10 DHCDRO CCC[NH+](CCC)Cc1cc(Br)cc(OC)c1O ZINC000768138550 1022904349 /nfs/dbraw/zinc/90/43/49/1022904349.db2.gz YYQVCMXLJJTPMX-UHFFFAOYSA-N 1 0 316.239 3.785 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CCCO1 ZINC000768162558 1022907922 /nfs/dbraw/zinc/90/79/22/1022907922.db2.gz QDIOEFAUXPXDAR-AWEZNQCLSA-N 1 0 321.804 3.820 20 10 DHCDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000876557646 1033091587 /nfs/dbraw/zinc/09/15/87/1033091587.db2.gz CIMVKAGIWSYTPZ-FQEVSTJZSA-N 1 0 311.425 3.646 20 10 DHCDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756552715 1022918787 /nfs/dbraw/zinc/91/87/87/1022918787.db2.gz GXMMSZVXEKYRIN-CYBMUJFWSA-N 1 0 302.393 3.838 20 10 DHCDRO CCOc1cncc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1 ZINC000857011344 1022920618 /nfs/dbraw/zinc/92/06/18/1022920618.db2.gz BTEHQWPSSBEMEL-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c2c1c(F)ccc2O ZINC000768239275 1022923590 /nfs/dbraw/zinc/92/35/90/1022923590.db2.gz IKXATOWMMCLITE-LFNCVDJLSA-N 1 0 317.404 3.627 20 10 DHCDRO CC(C)[N@H+](Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC000768249458 1022932865 /nfs/dbraw/zinc/93/28/65/1022932865.db2.gz GRIKNVQTSLGZDM-UHFFFAOYSA-N 1 0 314.429 3.527 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000323746468 1022943504 /nfs/dbraw/zinc/94/35/04/1022943504.db2.gz RHZQDJUOJKXWRX-OAHLLOKOSA-N 1 0 308.425 3.603 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c2c1c(F)ccc2O ZINC000768295461 1022943722 /nfs/dbraw/zinc/94/37/22/1022943722.db2.gz SJOJDYOQTHWZLM-CLMKHAMHSA-N 1 0 319.420 3.874 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C(C)C)c1O ZINC000768329453 1022947115 /nfs/dbraw/zinc/94/71/15/1022947115.db2.gz FCORUHFDXRAJAQ-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)cc1C ZINC000768453355 1022966913 /nfs/dbraw/zinc/96/69/13/1022966913.db2.gz VOXJBYULXYPVRK-AWEZNQCLSA-N 1 0 315.388 3.838 20 10 DHCDRO CC(C)CC[NH+](CCC(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442434 1022967574 /nfs/dbraw/zinc/96/75/74/1022967574.db2.gz WBEIDTYWDWIWAM-SFHVURJKSA-N 1 0 321.461 3.712 20 10 DHCDRO CC(C)OC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768453478 1022967608 /nfs/dbraw/zinc/96/76/08/1022967608.db2.gz YMCUHGDMWJSQOO-UHFFFAOYSA-N 1 0 303.446 3.660 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CCCCC3)C2)cc1OC ZINC000768447074 1022968132 /nfs/dbraw/zinc/96/81/32/1022968132.db2.gz MBICBHOSIRSDEY-UHFFFAOYSA-N 1 0 319.445 3.956 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)C)CC2)cc1OC ZINC000768445040 1022968657 /nfs/dbraw/zinc/96/86/57/1022968657.db2.gz DPDUOUAAPDXJRR-CQSZACIVSA-N 1 0 307.434 3.668 20 10 DHCDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000184534873 1022968790 /nfs/dbraw/zinc/96/87/90/1022968790.db2.gz ARZQPXVFPNOALS-QGZVFWFLSA-N 1 0 316.489 3.880 20 10 DHCDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768447395 1022969125 /nfs/dbraw/zinc/96/91/25/1022969125.db2.gz OSGNHUGWNUXBRO-ZFWWWQNUSA-N 1 0 307.434 3.810 20 10 DHCDRO CCC[N@H+](Cc1ccccc1F)Cc1c(O)cccc1OC ZINC000768486071 1022970961 /nfs/dbraw/zinc/97/09/61/1022970961.db2.gz HBAMAIUSIZQNJX-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464740 1022974413 /nfs/dbraw/zinc/97/44/13/1022974413.db2.gz TVBUPNFPPVOXCN-MAUKXSAKSA-N 1 0 319.445 3.609 20 10 DHCDRO CCC[N@H+](CCc1cccs1)Cc1c(O)cccc1OC ZINC000768523284 1022981004 /nfs/dbraw/zinc/98/10/04/1022981004.db2.gz FIOBQWYNDZEHKJ-UHFFFAOYSA-N 1 0 305.443 3.917 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c1O ZINC000768534556 1022982754 /nfs/dbraw/zinc/98/27/54/1022982754.db2.gz FPIBOSMAODDMMH-FQEVSTJZSA-N 1 0 311.425 3.998 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1Br)CC2 ZINC000297712851 1023022484 /nfs/dbraw/zinc/02/24/84/1023022484.db2.gz MWMHWQJVDNJRSC-CQSZACIVSA-N 1 0 318.214 3.932 20 10 DHCDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000192518479 1023034515 /nfs/dbraw/zinc/03/45/15/1023034515.db2.gz OIYZMKZIDXQBRO-JXFKEZNVSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000768914261 1023054717 /nfs/dbraw/zinc/05/47/17/1023054717.db2.gz UPPLFUDZKMDQNX-ZNMIVQPWSA-N 1 0 322.880 3.883 20 10 DHCDRO Cc1cc(O)c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC000768913728 1023054824 /nfs/dbraw/zinc/05/48/24/1023054824.db2.gz QXSSKBIGDASPQG-SCTDSRPQSA-N 1 0 316.489 3.846 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCc2ccccc2F)c1 ZINC000769020918 1023070072 /nfs/dbraw/zinc/07/00/72/1023070072.db2.gz IZWKNTKZEDSPHL-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000769011931 1023079049 /nfs/dbraw/zinc/07/90/49/1023079049.db2.gz JPBGOJQHAYRADW-QGZVFWFLSA-N 1 0 304.503 3.908 20 10 DHCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1O ZINC000769229522 1023102889 /nfs/dbraw/zinc/10/28/89/1023102889.db2.gz MJGMWNKYOQYQPR-SFHVURJKSA-N 1 0 311.425 3.998 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000769244762 1023107133 /nfs/dbraw/zinc/10/71/33/1023107133.db2.gz ORGZKVYQURJIIV-QUCCMNQESA-N 1 0 311.425 3.789 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000769338064 1023127092 /nfs/dbraw/zinc/12/70/92/1023127092.db2.gz KKUATQNHCXDJMH-OAHLLOKOSA-N 1 0 315.388 3.920 20 10 DHCDRO CCC[N@@H+](Cc1cc(OCC)ccc1O)C[C@@H]1CCCCO1 ZINC000769339577 1023128446 /nfs/dbraw/zinc/12/84/46/1023128446.db2.gz SMZVCPMXHUVCGA-KRWDZBQOSA-N 1 0 307.434 3.572 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005822 1023130417 /nfs/dbraw/zinc/13/04/17/1023130417.db2.gz VBISQMFZFRKSNV-UHFFFAOYSA-N 1 0 306.450 3.625 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c(O)c1 ZINC000769383792 1023137700 /nfs/dbraw/zinc/13/77/00/1023137700.db2.gz JQBYNNSWCMMARI-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000301719302 1033108105 /nfs/dbraw/zinc/10/81/05/1033108105.db2.gz FHODINBGEQZWDO-UHFFFAOYSA-N 1 0 310.235 3.921 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769410660 1023143003 /nfs/dbraw/zinc/14/30/03/1023143003.db2.gz AIDGDMICWFKLRA-CVEARBPZSA-N 1 0 302.462 3.753 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000769485214 1023152494 /nfs/dbraw/zinc/15/24/94/1023152494.db2.gz LVPPEHIMCUQWHN-HXUWFJFHSA-N 1 0 316.489 3.925 20 10 DHCDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769452264 1023155607 /nfs/dbraw/zinc/15/56/07/1023155607.db2.gz UVDQUBFFVYESRR-IAGOWNOFSA-N 1 0 302.462 3.534 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1F ZINC000769462584 1023159705 /nfs/dbraw/zinc/15/97/05/1023159705.db2.gz HSBUIQYBZJGSKZ-UHFFFAOYSA-N 1 0 308.441 3.673 20 10 DHCDRO CCc1cnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000756607350 1023162485 /nfs/dbraw/zinc/16/24/85/1023162485.db2.gz CSVCHJLNNQJEEB-SKDRFNHKSA-N 1 0 306.406 3.888 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000769493030 1023166069 /nfs/dbraw/zinc/16/60/69/1023166069.db2.gz QYMNNYMJHFYUOI-GOSISDBHSA-N 1 0 319.445 3.715 20 10 DHCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000769498013 1023166260 /nfs/dbraw/zinc/16/62/60/1023166260.db2.gz JKSIYMGAWWSQDT-LJQANCHMSA-N 1 0 313.441 3.782 20 10 DHCDRO C[N@H+](CCOCC1CC1)Cc1cc(-c2ccccc2)ccc1O ZINC000769523259 1023173607 /nfs/dbraw/zinc/17/36/07/1023173607.db2.gz DERZUCAUVBTNPT-UHFFFAOYSA-N 1 0 311.425 3.918 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000769930543 1023251087 /nfs/dbraw/zinc/25/10/87/1023251087.db2.gz LFFVJNLJWRFVTP-UZLBHIALSA-N 1 0 312.457 3.785 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000770376153 1023301028 /nfs/dbraw/zinc/30/10/28/1023301028.db2.gz VDPRMTCLFPHKME-RTBURBONSA-N 1 0 316.489 3.781 20 10 DHCDRO CCn1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000770611112 1023333034 /nfs/dbraw/zinc/33/30/34/1023333034.db2.gz KHXJAAPNIVFVSL-UHFFFAOYSA-N 1 0 322.456 3.754 20 10 DHCDRO CCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000771869531 1023477845 /nfs/dbraw/zinc/47/78/45/1023477845.db2.gz VAZXLUDPQKUWJP-UHFFFAOYSA-N 1 0 323.484 3.921 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4CC4)cc3)cc2)CC1 ZINC000771872203 1023479278 /nfs/dbraw/zinc/47/92/78/1023479278.db2.gz MKMCODKIDSABQM-UHFFFAOYSA-N 1 0 321.468 3.928 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(F)ccc1O ZINC000756738124 1023648168 /nfs/dbraw/zinc/64/81/68/1023648168.db2.gz JJWKTCXVFBRESC-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C[C@@H]1OC ZINC000756759576 1023715116 /nfs/dbraw/zinc/71/51/16/1023715116.db2.gz LOAORAAHGZOLNI-JLZZUVOBSA-N 1 0 307.434 3.645 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000786831202 1023728743 /nfs/dbraw/zinc/72/87/43/1023728743.db2.gz RXDRORXTHDMXER-OXQOHEQNSA-N 1 0 312.457 3.927 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000786821883 1023730871 /nfs/dbraw/zinc/73/08/71/1023730871.db2.gz SWLOQXJIQXQKFG-HRAATJIYSA-N 1 0 324.468 3.935 20 10 DHCDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000786955014 1023741483 /nfs/dbraw/zinc/74/14/83/1023741483.db2.gz XLMVVDVDCMBFFZ-DGCLKSJQSA-N 1 0 305.340 3.627 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccoc3)CC2)cc1 ZINC000178464282 1023819303 /nfs/dbraw/zinc/81/93/03/1023819303.db2.gz LAMHYUVSVYDGFI-AWEZNQCLSA-N 1 0 300.402 3.608 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000788259638 1023865830 /nfs/dbraw/zinc/86/58/30/1023865830.db2.gz OCZCUOPNJUMAHR-ZBFHGGJFSA-N 1 0 301.434 3.525 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccccc1O ZINC000788260244 1023866782 /nfs/dbraw/zinc/86/67/82/1023866782.db2.gz XFJWBJQIRQSMQF-HZPDHXFCSA-N 1 0 301.434 3.606 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000788535210 1023906475 /nfs/dbraw/zinc/90/64/75/1023906475.db2.gz CWODEOAMYKQVIX-UXHICEINSA-N 1 0 312.457 3.600 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCn2cnc3ccccc32)c(O)c1 ZINC000788573318 1023908606 /nfs/dbraw/zinc/90/86/06/1023908606.db2.gz OQIVIVCSWPBRCS-OAHLLOKOSA-N 1 0 309.413 3.710 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4c(O)cccc43)ccc21 ZINC000788582295 1023908979 /nfs/dbraw/zinc/90/89/79/1023908979.db2.gz GBTYZTHUVQFOCU-IBGZPJMESA-N 1 0 322.452 3.942 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cn2ccccc2n1 ZINC000788585525 1023909965 /nfs/dbraw/zinc/90/99/65/1023909965.db2.gz VRTLMDXJQNOCID-OAHLLOKOSA-N 1 0 320.440 3.568 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1F ZINC000788593442 1023910233 /nfs/dbraw/zinc/91/02/33/1023910233.db2.gz PRUXRVHOLGFQKP-RDTXWAMCSA-N 1 0 308.441 3.719 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000788801788 1023935557 /nfs/dbraw/zinc/93/55/57/1023935557.db2.gz ZUDNPVMFVCTBBF-KGLIPLIRSA-N 1 0 322.449 3.573 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c(O)c1 ZINC000788779955 1023938914 /nfs/dbraw/zinc/93/89/14/1023938914.db2.gz ZVCQTWNDLUWALA-DNVCBOLYSA-N 1 0 305.462 3.991 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000093867481 1023941820 /nfs/dbraw/zinc/94/18/20/1023941820.db2.gz KWNPYCAOAQBURP-UWJYYQICSA-N 1 0 322.452 3.716 20 10 DHCDRO CSCc1cc(F)ccc1C[NH2+]Cc1c(C)cccc1O ZINC000876875654 1033173942 /nfs/dbraw/zinc/17/39/42/1033173942.db2.gz ZFXJFNACWWJUHE-UHFFFAOYSA-N 1 0 305.418 3.993 20 10 DHCDRO CCOC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(C)C ZINC000788985746 1023959056 /nfs/dbraw/zinc/95/90/56/1023959056.db2.gz QVJVQRFWDSEQGA-RDTXWAMCSA-N 1 0 305.462 3.983 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000876885220 1033176131 /nfs/dbraw/zinc/17/61/31/1033176131.db2.gz NLKPETDHSMICQQ-MRXNPFEDSA-N 1 0 316.470 3.689 20 10 DHCDRO CSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000193816607 1023976898 /nfs/dbraw/zinc/97/68/98/1023976898.db2.gz KMIQNAXLILAPBE-VIFPVBQESA-N 1 0 316.264 3.701 20 10 DHCDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1c(C)cccc1O ZINC000876895826 1033177795 /nfs/dbraw/zinc/17/77/95/1033177795.db2.gz MFNCPOPAPSXFKF-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1OC(F)F ZINC000876897656 1033179618 /nfs/dbraw/zinc/17/96/18/1033179618.db2.gz LGNRGVJCAVSIFX-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO OC1CCN(c2ccc(C[NH2+]CCC3=CCCCC3)cc2)CC1 ZINC000876905386 1033181539 /nfs/dbraw/zinc/18/15/39/1033181539.db2.gz SRNWTEDUUFGFMZ-UHFFFAOYSA-N 1 0 314.473 3.628 20 10 DHCDRO COc1cc(C)cc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000789528060 1024108471 /nfs/dbraw/zinc/10/84/71/1024108471.db2.gz NVCXWZAXAAKVSJ-UHFFFAOYSA-N 1 0 317.351 3.874 20 10 DHCDRO Fc1cc(C[N@H+](C2CC2)C2CCCC2)ccc1N1CCOCC1 ZINC000130217631 1024143140 /nfs/dbraw/zinc/14/31/40/1024143140.db2.gz UJFWFGAGMHUEFM-UHFFFAOYSA-N 1 0 318.436 3.569 20 10 DHCDRO CCc1cnc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000130240079 1024146187 /nfs/dbraw/zinc/14/61/87/1024146187.db2.gz JREQIQSWJGXOLT-CYBMUJFWSA-N 1 0 303.475 3.665 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)cccc1O)c1ccc2c(c1)OCCO2 ZINC000876956215 1033191428 /nfs/dbraw/zinc/19/14/28/1033191428.db2.gz GQCLVBMFODXZPI-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000162653884 1024194188 /nfs/dbraw/zinc/19/41/88/1024194188.db2.gz CZGWGNHZHMMJHH-SFHVURJKSA-N 1 0 321.424 3.788 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)c2ccccc2)cc1Cl ZINC000825922137 1033192550 /nfs/dbraw/zinc/19/25/50/1033192550.db2.gz JKCWSGKYQNYTRO-INIZCTEOSA-N 1 0 305.805 3.567 20 10 DHCDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960251 1024203410 /nfs/dbraw/zinc/20/34/10/1024203410.db2.gz FNLZTRDQGFLKHP-OXJNMPFZSA-N 1 0 312.457 3.917 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000130692878 1024204166 /nfs/dbraw/zinc/20/41/66/1024204166.db2.gz OHGXBOZEBFNUPW-WOJBJXKFSA-N 1 0 312.457 3.835 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000876967722 1033194369 /nfs/dbraw/zinc/19/43/69/1033194369.db2.gz KECJFSUQGAIGKI-FXAWDEMLSA-N 1 0 311.425 3.958 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC000883092015 1024239398 /nfs/dbraw/zinc/23/93/98/1024239398.db2.gz CVVCFZDCQVCCEK-GFCCVEGCSA-N 1 0 303.837 3.839 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C2(C)CCOCC2)cc1 ZINC000131116265 1024258731 /nfs/dbraw/zinc/25/87/31/1024258731.db2.gz AYSWACYDZUCINM-UHFFFAOYSA-N 1 0 304.478 3.972 20 10 DHCDRO COC(OC)c1ccc(F)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000883224912 1024300148 /nfs/dbraw/zinc/30/01/48/1024300148.db2.gz VPZNIWYHOQKDKY-GFCCVEGCSA-N 1 0 319.376 3.674 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc(OCC)c1O ZINC000092704996 1024316826 /nfs/dbraw/zinc/31/68/26/1024316826.db2.gz UGESMOQXINEIKG-UHFFFAOYSA-N 1 0 315.413 3.909 20 10 DHCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)CC(F)F ZINC000883251794 1024321050 /nfs/dbraw/zinc/32/10/50/1024321050.db2.gz CYNYWXONZLMQDV-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000270134521 1024354401 /nfs/dbraw/zinc/35/44/01/1024354401.db2.gz PZKHRNQPLHYPKK-JLCFBVMHSA-N 1 0 317.454 3.597 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000270134525 1024354681 /nfs/dbraw/zinc/35/46/81/1024354681.db2.gz PZKHRNQPLHYPKK-RCDICMHDSA-N 1 0 317.454 3.597 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000790700085 1024356229 /nfs/dbraw/zinc/35/62/29/1024356229.db2.gz CDGCNGKFVDSYIW-BEFAXECRSA-N 1 0 304.478 3.735 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)ccc1OC ZINC000883352883 1024397562 /nfs/dbraw/zinc/39/75/62/1024397562.db2.gz JURWFDGCWPHEIU-WMZOPIPTSA-N 1 0 321.461 3.527 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000270648024 1024412551 /nfs/dbraw/zinc/41/25/51/1024412551.db2.gz LCOOTJZQIVRAPV-YJBOKZPZSA-N 1 0 321.461 3.864 20 10 DHCDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000883381425 1024413022 /nfs/dbraw/zinc/41/30/22/1024413022.db2.gz MLBOANQTSSPNJZ-CQSZACIVSA-N 1 0 315.457 3.881 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883382223 1024415491 /nfs/dbraw/zinc/41/54/91/1024415491.db2.gz BRHQARAKWBTGQW-WBVHZDCISA-N 1 0 301.361 3.516 20 10 DHCDRO c1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc2c1OCC2 ZINC000790996028 1024416459 /nfs/dbraw/zinc/41/64/59/1024416459.db2.gz UQZZQFNWZDGHJD-QGZVFWFLSA-N 1 0 301.430 3.593 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC000883387771 1024422091 /nfs/dbraw/zinc/42/20/91/1024422091.db2.gz DYKWKYFSGUJFIA-LPHOPBHVSA-N 1 0 321.424 3.989 20 10 DHCDRO C[C@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)[NH+]1CCCCC1 ZINC000790986567 1024425877 /nfs/dbraw/zinc/42/58/77/1024425877.db2.gz PVAWKYVQKQCOEQ-GFCCVEGCSA-N 1 0 314.832 3.539 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000165950785 1024441631 /nfs/dbraw/zinc/44/16/31/1024441631.db2.gz QCNMKFNLSLFEGX-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000132202556 1024461922 /nfs/dbraw/zinc/46/19/22/1024461922.db2.gz XWZSFMFYYWSALL-BEFAXECRSA-N 1 0 302.462 3.832 20 10 DHCDRO CCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271192968 1024468994 /nfs/dbraw/zinc/46/89/94/1024468994.db2.gz MPUQHISYLRBEMB-UHFFFAOYSA-N 1 0 311.425 3.796 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000271228186 1024473605 /nfs/dbraw/zinc/47/36/05/1024473605.db2.gz SESNLAYWKJRZJL-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1F ZINC000106244037 1024485423 /nfs/dbraw/zinc/48/54/23/1024485423.db2.gz QIHSEOYIMBAEOQ-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO c1cc2c(c(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c1)OCO2 ZINC000058065105 1024497418 /nfs/dbraw/zinc/49/74/18/1024497418.db2.gz GEXOLVWWKOOHPZ-UHFFFAOYSA-N 1 0 324.424 3.695 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1O ZINC000132802374 1024505190 /nfs/dbraw/zinc/50/51/90/1024505190.db2.gz MUYCQLVRGSSQJJ-FUHWJXTLSA-N 1 0 310.441 3.707 20 10 DHCDRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000271444495 1024508407 /nfs/dbraw/zinc/50/84/07/1024508407.db2.gz SOQUMUBQGXZZIW-KRWDZBQOSA-N 1 0 307.397 3.616 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791475425 1024509006 /nfs/dbraw/zinc/50/90/06/1024509006.db2.gz OVDUKDOULMXKLD-FQEVSTJZSA-N 1 0 321.420 3.581 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)ccc1OC ZINC000271511077 1024526054 /nfs/dbraw/zinc/52/60/54/1024526054.db2.gz LUECYRXKODXXTJ-MJGOQNOKSA-N 1 0 321.461 3.525 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)ccc1OC ZINC000271511082 1024527281 /nfs/dbraw/zinc/52/72/81/1024527281.db2.gz LUECYRXKODXXTJ-PKOBYXMFSA-N 1 0 321.461 3.525 20 10 DHCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000271604012 1024550426 /nfs/dbraw/zinc/55/04/26/1024550426.db2.gz YXMJWBQWYNKUKJ-LIRRHRJNSA-N 1 0 315.413 3.575 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1O ZINC000192978083 1024619906 /nfs/dbraw/zinc/61/99/06/1024619906.db2.gz UEDNSVVXAAKBEW-UHFFFAOYSA-N 1 0 308.381 3.629 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696197 1024635692 /nfs/dbraw/zinc/63/56/92/1024635692.db2.gz RWZUYMYNNQYSBD-YOEHRIQHSA-N 1 0 308.441 3.694 20 10 DHCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166750944 1024647094 /nfs/dbraw/zinc/64/70/94/1024647094.db2.gz MOYXQXLVNFYPHI-HOTGVXAUSA-N 1 0 322.468 3.875 20 10 DHCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877068474 1033226928 /nfs/dbraw/zinc/22/69/28/1033226928.db2.gz XAAPOJDQSPAEIR-HOTGVXAUSA-N 1 0 304.478 3.562 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccccc1O ZINC000792276574 1024659332 /nfs/dbraw/zinc/65/93/32/1024659332.db2.gz LUXFZUZLWSAHMR-LLVKDONJSA-N 1 0 309.768 3.914 20 10 DHCDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001168152376 1024662285 /nfs/dbraw/zinc/66/22/85/1024662285.db2.gz RFKOGBKDQDWKIU-GFCCVEGCSA-N 1 0 305.805 3.515 20 10 DHCDRO Cc1cccc(NCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000133511347 1024677340 /nfs/dbraw/zinc/67/73/40/1024677340.db2.gz XQWKXNQVOLHWIH-UHFFFAOYSA-N 1 0 324.472 3.582 20 10 DHCDRO C[N@H+](CCC1CCOCC1)Cc1ccc(N2CCCC2)cc1 ZINC001202660587 1024786667 /nfs/dbraw/zinc/78/66/67/1024786667.db2.gz HVGMABXEAYDBGC-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877086524 1033235616 /nfs/dbraw/zinc/23/56/16/1033235616.db2.gz ZCLHXJCIDBCNJY-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO Cc1occc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792927310 1024843812 /nfs/dbraw/zinc/84/38/12/1024843812.db2.gz DWVRYIYWDVFXFZ-UHFFFAOYSA-N 1 0 312.335 3.963 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)c(O)c1 ZINC000040906227 1024857039 /nfs/dbraw/zinc/85/70/39/1024857039.db2.gz IKGTYGRBFYRKNR-LBPRGKRZSA-N 1 0 305.805 3.775 20 10 DHCDRO CSCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992780 1024858218 /nfs/dbraw/zinc/85/82/18/1024858218.db2.gz SABOUJQXDQQWSF-UHFFFAOYSA-N 1 0 306.397 3.614 20 10 DHCDRO Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000877119061 1033244170 /nfs/dbraw/zinc/24/41/70/1033244170.db2.gz SUCGOIDEFKMBTN-UHFFFAOYSA-N 1 0 319.445 3.691 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC=CO2)c(C(F)(F)F)c1 ZINC000793151811 1024915512 /nfs/dbraw/zinc/91/55/12/1024915512.db2.gz ACUPNHCUAIPMJZ-CQSZACIVSA-N 1 0 314.351 3.554 20 10 DHCDRO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1cc(F)ccc1O ZINC000321511099 1024937201 /nfs/dbraw/zinc/93/72/01/1024937201.db2.gz FQETYWSINUQQCY-CYBMUJFWSA-N 1 0 310.372 3.973 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccnc1F ZINC000793289201 1024974410 /nfs/dbraw/zinc/97/44/10/1024974410.db2.gz LHZZMGZLTYMYAS-UHFFFAOYSA-N 1 0 308.356 3.883 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793353279 1024999426 /nfs/dbraw/zinc/99/94/26/1024999426.db2.gz QYVJAVHJKUKSCO-GOEBONIOSA-N 1 0 315.388 3.966 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120181542 1025016130 /nfs/dbraw/zinc/01/61/30/1025016130.db2.gz FLDLXVKIBFMSFA-CQSZACIVSA-N 1 0 311.429 3.562 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c(O)c1 ZINC000877140895 1033256960 /nfs/dbraw/zinc/25/69/60/1033256960.db2.gz ANOGOCXBXNVCAD-INIZCTEOSA-N 1 0 301.361 3.843 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1C ZINC000793569289 1025103849 /nfs/dbraw/zinc/10/38/49/1025103849.db2.gz MUXCNQPOCPTNIO-AWEZNQCLSA-N 1 0 309.413 3.779 20 10 DHCDRO CCCN(CC)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000318961957 1025122590 /nfs/dbraw/zinc/12/25/90/1025122590.db2.gz FMRQBCPMXCTDTB-OAHLLOKOSA-N 1 0 300.446 3.928 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000793573489 1025124816 /nfs/dbraw/zinc/12/48/16/1025124816.db2.gz OOKYRQVUCXUGBS-SFHVURJKSA-N 1 0 312.413 3.687 20 10 DHCDRO FC(F)(F)c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000107828034 1025128774 /nfs/dbraw/zinc/12/87/74/1025128774.db2.gz ALVGOWAUQSMMOE-UHFFFAOYSA-N 1 0 307.315 3.930 20 10 DHCDRO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793609675 1025129027 /nfs/dbraw/zinc/12/90/27/1025129027.db2.gz RCWSPMFTUBYZKR-IBGZPJMESA-N 1 0 316.489 3.804 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1C(C)C ZINC000884483362 1025135447 /nfs/dbraw/zinc/13/54/47/1025135447.db2.gz RINXOFHVHNQEPZ-BEFAXECRSA-N 1 0 303.446 3.825 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000825939862 1033261775 /nfs/dbraw/zinc/26/17/75/1033261775.db2.gz IMHMFEHWWAGGKA-SJCJKPOMSA-N 1 0 305.805 3.566 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000123909138 1025310013 /nfs/dbraw/zinc/31/00/13/1025310013.db2.gz BLZUKWSYTGXBBN-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000885921225 1025406042 /nfs/dbraw/zinc/40/60/42/1025406042.db2.gz WNUBNIWIGHYUPE-MJGOQNOKSA-N 1 0 302.462 3.724 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(F)F)c1 ZINC000886170205 1025544789 /nfs/dbraw/zinc/54/47/89/1025544789.db2.gz RTLZUVLTCORSOW-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC000877395895 1033294196 /nfs/dbraw/zinc/29/41/96/1033294196.db2.gz OYQYHLHUSNVBPM-MRXNPFEDSA-N 1 0 301.386 3.777 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC000355140686 1025615898 /nfs/dbraw/zinc/61/58/98/1025615898.db2.gz YRVYLFONULUGMH-UHFFFAOYSA-N 1 0 322.456 3.628 20 10 DHCDRO CCCN(Cc1nc(C(C)(C)C)co1)c1ccc(C[NH3+])cc1 ZINC000894045581 1025670928 /nfs/dbraw/zinc/67/09/28/1025670928.db2.gz GJZVTTUUFVMMSB-UHFFFAOYSA-N 1 0 301.434 3.847 20 10 DHCDRO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1c(O)cccc1F ZINC000886584183 1025719708 /nfs/dbraw/zinc/71/97/08/1025719708.db2.gz KCYDRFZRKZROQY-CYBMUJFWSA-N 1 0 318.392 3.645 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccc(F)cc2)c1O ZINC000236920224 1025737134 /nfs/dbraw/zinc/73/71/34/1025737134.db2.gz XQLURWYKKIZAHG-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1O ZINC000236956063 1025823701 /nfs/dbraw/zinc/82/37/01/1025823701.db2.gz GVAGVUGHBNUDJG-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000806180965 1025834209 /nfs/dbraw/zinc/83/42/09/1025834209.db2.gz UNHISIHBSRWCCA-DZGCQCFKSA-N 1 0 319.832 3.781 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CCO)cc1 ZINC000236961731 1025862739 /nfs/dbraw/zinc/86/27/39/1025862739.db2.gz JMCMYMHAIYLKOP-KRWDZBQOSA-N 1 0 312.457 3.574 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1 ZINC000290002534 1026276230 /nfs/dbraw/zinc/27/62/30/1026276230.db2.gz ZGTJZACMTGJANR-UGSOOPFHSA-N 1 0 317.454 3.901 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1O ZINC000290056910 1026302626 /nfs/dbraw/zinc/30/26/26/1026302626.db2.gz DYYVSODOLWJHCO-INIZCTEOSA-N 1 0 305.805 3.567 20 10 DHCDRO CCOCc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894171956 1026314799 /nfs/dbraw/zinc/31/47/99/1026314799.db2.gz OBBIBUCLBJVTRK-UHFFFAOYSA-N 1 0 315.413 3.536 20 10 DHCDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000279970215 1026332467 /nfs/dbraw/zinc/33/24/67/1026332467.db2.gz CYYYLOWUZZAGEP-INIZCTEOSA-N 1 0 310.441 3.959 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808693106 1026348775 /nfs/dbraw/zinc/34/87/75/1026348775.db2.gz WCABVSIUFFWORL-QWRGUYRKSA-N 1 0 307.825 3.808 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)C2CCCC2)c1O ZINC000808691516 1026349759 /nfs/dbraw/zinc/34/97/59/1026349759.db2.gz IRYYCFHKZKOLBU-CYBMUJFWSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808693104 1026350417 /nfs/dbraw/zinc/35/04/17/1026350417.db2.gz WCABVSIUFFWORL-GHMZBOCLSA-N 1 0 307.825 3.808 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)N1CCCC1 ZINC000808675742 1026354066 /nfs/dbraw/zinc/35/40/66/1026354066.db2.gz QTCFFMUTUVQCPQ-UKRRQHHQSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808675034 1026354082 /nfs/dbraw/zinc/35/40/82/1026354082.db2.gz UTKNQRMXKTWAKF-GFCCVEGCSA-N 1 0 307.825 3.669 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1O ZINC000808678044 1026355448 /nfs/dbraw/zinc/35/54/48/1026355448.db2.gz IXYZJYBYURRDAM-UONOGXRCSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1O ZINC000808679626 1026355477 /nfs/dbraw/zinc/35/54/77/1026355477.db2.gz VIVNNEMNDHHYNA-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2ncccc2F)c1O ZINC000808708333 1026358848 /nfs/dbraw/zinc/35/88/48/1026358848.db2.gz KJIXNSMCQWUTHE-NSHDSACASA-N 1 0 324.783 3.618 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000808707084 1026358996 /nfs/dbraw/zinc/35/89/96/1026358996.db2.gz ZZCUTRSCDJDZNA-HZMBPMFUSA-N 1 0 305.809 3.805 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(C)(C)O)cc1 ZINC000924901687 1026489707 /nfs/dbraw/zinc/48/97/07/1026489707.db2.gz SXOPUPNGESZFCN-CQSZACIVSA-N 1 0 311.425 3.700 20 10 DHCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000280001814 1026573478 /nfs/dbraw/zinc/57/34/78/1026573478.db2.gz GAPSGQDNBULCCL-LJQANCHMSA-N 1 0 324.472 3.578 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1F ZINC000809730524 1026598039 /nfs/dbraw/zinc/59/80/39/1026598039.db2.gz QYQCXFHRPUYTHS-UHFFFAOYSA-N 1 0 313.420 3.666 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c1O ZINC000809739948 1026610995 /nfs/dbraw/zinc/61/09/95/1026610995.db2.gz HSTBKYJTPDUTNH-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233237 1026618237 /nfs/dbraw/zinc/61/82/37/1026618237.db2.gz VJKQBTDPXAJNEY-JSGCOSHPSA-N 1 0 302.422 3.744 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)c(O)c1 ZINC000809766090 1026619583 /nfs/dbraw/zinc/61/95/83/1026619583.db2.gz UQYQBFSJAHTOJA-AWEZNQCLSA-N 1 0 300.402 3.769 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccncc2)c(O)c1 ZINC000809765537 1026620311 /nfs/dbraw/zinc/62/03/11/1026620311.db2.gz NZXNUEHUZIASQG-KRWDZBQOSA-N 1 0 300.402 3.769 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000809786844 1026626410 /nfs/dbraw/zinc/62/64/10/1026626410.db2.gz MPGQRFSGOKLBPQ-SJCJKPOMSA-N 1 0 305.805 3.566 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2oc(C)nc2C)cc1 ZINC000809933211 1026641974 /nfs/dbraw/zinc/64/19/74/1026641974.db2.gz VZRUHVSQNLMXRF-UHFFFAOYSA-N 1 0 301.434 3.770 20 10 DHCDRO CC[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000810159985 1026698088 /nfs/dbraw/zinc/69/80/88/1026698088.db2.gz PLTRALITGPRDQG-OAQYLSRUSA-N 1 0 324.468 3.720 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810213521 1026706824 /nfs/dbraw/zinc/70/68/24/1026706824.db2.gz UQOUUKVQEWXOJR-JSGCOSHPSA-N 1 0 316.367 3.546 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810217376 1026709203 /nfs/dbraw/zinc/70/92/03/1026709203.db2.gz CFQDYJBCXCMCNU-AAEUAGOBSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218961 1026710539 /nfs/dbraw/zinc/71/05/39/1026710539.db2.gz YPPBODHCXIIOHB-DZGCQCFKSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810227279 1026713184 /nfs/dbraw/zinc/71/31/84/1026713184.db2.gz VBURXGLIQCFUQV-ZDUSSCGKSA-N 1 0 313.323 3.683 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810229415 1026714750 /nfs/dbraw/zinc/71/47/50/1026714750.db2.gz XKEGXDYLKZLXDV-RNCFNFMXSA-N 1 0 313.323 3.936 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238329 1026725426 /nfs/dbraw/zinc/72/54/26/1026725426.db2.gz JFKDNFDLQIFYNP-JKOKRWQUSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810240166 1026726019 /nfs/dbraw/zinc/72/60/19/1026726019.db2.gz PXSBGYIEJGUHGI-RISCZKNCSA-N 1 0 319.367 3.716 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2c1NCCC2 ZINC000894255744 1026940125 /nfs/dbraw/zinc/94/01/25/1026940125.db2.gz ILAKWMZZIXZVLX-UHFFFAOYSA-N 1 0 309.457 3.709 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)ccc1O)CCO2 ZINC000187546111 1027121705 /nfs/dbraw/zinc/12/17/05/1027121705.db2.gz UWKBYQBARALHEK-KRWDZBQOSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000271706936 1027125722 /nfs/dbraw/zinc/12/57/22/1027125722.db2.gz ULWOIGKHQWMOJD-QGZVFWFLSA-N 1 0 301.361 3.975 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170669968 1027216141 /nfs/dbraw/zinc/21/61/41/1027216141.db2.gz NZSXYURXVCVQOG-INIZCTEOSA-N 1 0 316.395 3.678 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(O)c(C(C)(C)C)c1 ZINC000812295649 1027247170 /nfs/dbraw/zinc/24/71/70/1027247170.db2.gz GEYDJFUIGHCNAL-MRXNPFEDSA-N 1 0 313.445 3.642 20 10 DHCDRO COCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CCCC1 ZINC000747791484 1027296136 /nfs/dbraw/zinc/29/61/36/1027296136.db2.gz MNBQLKBVROWIGK-UHFFFAOYSA-N 1 0 321.461 3.786 20 10 DHCDRO CO[C@@](C)(C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000812734256 1027377871 /nfs/dbraw/zinc/37/78/71/1027377871.db2.gz KCYYDFWHMQZONQ-YJYMSZOUSA-N 1 0 303.446 3.737 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000295773924 1027424709 /nfs/dbraw/zinc/42/47/09/1027424709.db2.gz AMFNPJODLAICPC-HNNXBMFYSA-N 1 0 313.397 3.577 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000295812204 1027440178 /nfs/dbraw/zinc/44/01/78/1027440178.db2.gz CUHMOPUSBYHZDD-SFHVURJKSA-N 1 0 308.425 3.638 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295816759 1027442882 /nfs/dbraw/zinc/44/28/82/1027442882.db2.gz DBOATQYNVMPVCX-KRWDZBQOSA-N 1 0 324.424 3.908 20 10 DHCDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295861729 1027463394 /nfs/dbraw/zinc/46/33/94/1027463394.db2.gz GPSUDLLMOTVMQS-KRWDZBQOSA-N 1 0 324.424 3.764 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000296028814 1027520901 /nfs/dbraw/zinc/52/09/01/1027520901.db2.gz PYVQKRHMAVNWIN-SFHVURJKSA-N 1 0 316.470 3.826 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)CC2 ZINC000296031279 1027522696 /nfs/dbraw/zinc/52/26/96/1027522696.db2.gz QDDPXJDGIALQTB-OALUTQOASA-N 1 0 322.452 3.806 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cncs2)cc1F ZINC000158702536 1027615090 /nfs/dbraw/zinc/61/50/90/1027615090.db2.gz DQMUOIQRPCNEKV-GFCCVEGCSA-N 1 0 307.438 3.979 20 10 DHCDRO CCSc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccn1 ZINC000296568710 1027671374 /nfs/dbraw/zinc/67/13/74/1027671374.db2.gz UXCQBOZSFLVCJU-CQSZACIVSA-N 1 0 300.427 3.676 20 10 DHCDRO COc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1Cl ZINC000296618367 1027686206 /nfs/dbraw/zinc/68/62/06/1027686206.db2.gz WRHAKRDIHRIVCS-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1C ZINC000813791739 1027712477 /nfs/dbraw/zinc/71/24/77/1027712477.db2.gz JTHHRHWHIPAFFF-MRXNPFEDSA-N 1 0 314.404 3.511 20 10 DHCDRO C[C@@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000778985419 1027718573 /nfs/dbraw/zinc/71/85/73/1027718573.db2.gz SYRAMOQQLSUAKX-HZPDHXFCSA-N 1 0 315.413 3.803 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+](C)C ZINC000813877313 1027746392 /nfs/dbraw/zinc/74/63/92/1027746392.db2.gz RNHBWUDSOFSEFW-ZJUUUORDSA-N 1 0 305.249 3.547 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000779018567 1027835675 /nfs/dbraw/zinc/83/56/75/1027835675.db2.gz BBTZBCUBEQWOBU-KRWDZBQOSA-N 1 0 303.402 3.821 20 10 DHCDRO COc1cccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)OC)c1 ZINC000527732911 1027852752 /nfs/dbraw/zinc/85/27/52/1027852752.db2.gz BLYOWVCXXKCJJS-QGZVFWFLSA-N 1 0 321.804 3.532 20 10 DHCDRO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764368 1027885652 /nfs/dbraw/zinc/88/56/52/1027885652.db2.gz MHQKGSOPCAICCB-LIRRHRJNSA-N 1 0 307.397 3.566 20 10 DHCDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C2CC2)cn1 ZINC000527840864 1027915915 /nfs/dbraw/zinc/91/59/15/1027915915.db2.gz KJISROOQMKHUMV-IBGZPJMESA-N 1 0 312.413 3.648 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(O)c1 ZINC000814171024 1027923971 /nfs/dbraw/zinc/92/39/71/1027923971.db2.gz HNFVFZVFEXWHHG-GOSISDBHSA-N 1 0 312.413 3.769 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1 ZINC000814171025 1027925985 /nfs/dbraw/zinc/92/59/85/1027925985.db2.gz HNFVFZVFEXWHHG-SFHVURJKSA-N 1 0 312.413 3.769 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527947011 1027978811 /nfs/dbraw/zinc/97/88/11/1027978811.db2.gz JMEXIWPABBEMSC-AEFFLSMTSA-N 1 0 302.462 3.840 20 10 DHCDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000814292402 1027991715 /nfs/dbraw/zinc/99/17/15/1027991715.db2.gz VPWRHYBNOJLJRS-LFIBNONCSA-N 1 0 323.436 3.961 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000779038079 1027992790 /nfs/dbraw/zinc/99/27/90/1027992790.db2.gz INAIJICAYDKPGI-ZJUUUORDSA-N 1 0 324.222 3.598 20 10 DHCDRO Cc1ncccc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000527989383 1028014721 /nfs/dbraw/zinc/01/47/21/1028014721.db2.gz YVIUHUHLZYGGEX-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2c1c(F)ccc2O ZINC000528004093 1028033052 /nfs/dbraw/zinc/03/30/52/1028033052.db2.gz VDEFZUAQBJEKND-XNRPHZJLSA-N 1 0 318.436 3.686 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036859 1028053233 /nfs/dbraw/zinc/05/32/33/1028053233.db2.gz ZABAFHZNRGNMDE-KWBADKCTSA-N 1 0 304.340 3.965 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N2CCCCC2)cc1 ZINC000779067338 1028133375 /nfs/dbraw/zinc/13/33/75/1028133375.db2.gz VHIPXUFJFBASBA-WMZOPIPTSA-N 1 0 324.472 3.539 20 10 DHCDRO Cc1nc([C@H]2CCCCN2Cc2c(O)ccc3ccccc32)no1 ZINC000367474343 1028191614 /nfs/dbraw/zinc/19/16/14/1028191614.db2.gz FKVLZZUWAXCLHS-QGZVFWFLSA-N 1 0 323.396 3.964 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000779085517 1028205621 /nfs/dbraw/zinc/20/56/21/1028205621.db2.gz AWCDORPZVKIXPZ-UHFFFAOYSA-N 1 0 318.779 3.998 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000779100208 1028257846 /nfs/dbraw/zinc/25/78/46/1028257846.db2.gz GGAFRANTNRAICW-UHFFFAOYSA-N 1 0 315.388 3.760 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235397 1028324729 /nfs/dbraw/zinc/32/47/29/1028324729.db2.gz OSXKGUOMJPTOMD-SWLSCSKDSA-N 1 0 301.361 3.932 20 10 DHCDRO Cc1cccnc1C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000368287394 1028332188 /nfs/dbraw/zinc/33/21/88/1028332188.db2.gz BTZOURUBLYYFGJ-MRXNPFEDSA-N 1 0 309.457 3.838 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000368327883 1028336601 /nfs/dbraw/zinc/33/66/01/1028336601.db2.gz NFPXSAUQAXRWRP-XHDPSFHLSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078641 1028351208 /nfs/dbraw/zinc/35/12/08/1028351208.db2.gz DUYHEHCWXIQLIA-SFHVURJKSA-N 1 0 312.461 3.738 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(C)CC)cc1)C2 ZINC000815116792 1028362992 /nfs/dbraw/zinc/36/29/92/1028362992.db2.gz FEVLMQYHLMJTAE-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1sccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815119136 1028366023 /nfs/dbraw/zinc/36/60/23/1028366023.db2.gz QCODCSRYOONHTR-AWEZNQCLSA-N 1 0 316.470 3.744 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000815119412 1028366173 /nfs/dbraw/zinc/36/61/73/1028366173.db2.gz WYGAYCAXEHEWLK-MOPGFXCFSA-N 1 0 314.473 3.676 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815119413 1028367041 /nfs/dbraw/zinc/36/70/41/1028367041.db2.gz WYGAYCAXEHEWLK-OALUTQOASA-N 1 0 314.473 3.676 20 10 DHCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000815159146 1028386269 /nfs/dbraw/zinc/38/62/69/1028386269.db2.gz KAKNAYXOWQHAFU-YWZLYKJASA-N 1 0 311.425 3.700 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000368651083 1028390004 /nfs/dbraw/zinc/39/00/04/1028390004.db2.gz FWMLFBYDDJNUEZ-GOPGUHFVSA-N 1 0 309.837 3.901 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000368798715 1028411707 /nfs/dbraw/zinc/41/17/07/1028411707.db2.gz SQCHVCQFJPKZAZ-OLZOCXBDSA-N 1 0 318.442 3.798 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC000779154449 1028458664 /nfs/dbraw/zinc/45/86/64/1028458664.db2.gz SQIYBTPOSNMPKJ-UYAOXDASSA-N 1 0 316.489 3.660 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000188625413 1028520397 /nfs/dbraw/zinc/52/03/97/1028520397.db2.gz PMBUIUIYTYTHAQ-HUBLWGQQSA-N 1 0 317.351 3.526 20 10 DHCDRO COc1ccc(OCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815556331 1028542142 /nfs/dbraw/zinc/54/21/42/1028542142.db2.gz SPUQZUTUHPFEAT-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c(O)c1 ZINC000815564242 1028546296 /nfs/dbraw/zinc/54/62/96/1028546296.db2.gz CPACFJIPYWKJIY-FUHWJXTLSA-N 1 0 313.441 3.511 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c(O)c1 ZINC000815569053 1028546401 /nfs/dbraw/zinc/54/64/01/1028546401.db2.gz FFHMTZKLTCJKFY-INIZCTEOSA-N 1 0 310.441 3.675 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000369928994 1028546944 /nfs/dbraw/zinc/54/69/44/1028546944.db2.gz GFCAPGQSFIOAQB-RDJZCZTQSA-N 1 0 303.427 3.978 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c(O)c1 ZINC000815585189 1028557205 /nfs/dbraw/zinc/55/72/05/1028557205.db2.gz AMMWSUFZQPZOAN-MRXNPFEDSA-N 1 0 323.440 3.858 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000815595947 1028561384 /nfs/dbraw/zinc/56/13/84/1028561384.db2.gz GQOOLVXZRHUSOQ-RCDICMHDSA-N 1 0 317.454 3.597 20 10 DHCDRO CC(C)(CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815596711 1028562586 /nfs/dbraw/zinc/56/25/86/1028562586.db2.gz CAFXFWIOIUSEKZ-SFHVURJKSA-N 1 0 313.441 3.674 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(O)c1 ZINC000815574006 1028567596 /nfs/dbraw/zinc/56/75/96/1028567596.db2.gz AHYNOXOPBPPQRV-AWEZNQCLSA-N 1 0 317.433 3.799 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815642954 1028588573 /nfs/dbraw/zinc/58/85/73/1028588573.db2.gz PHKUPWLRMKQOGL-MNOVXSKESA-N 1 0 306.793 3.866 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815642955 1028589907 /nfs/dbraw/zinc/58/99/07/1028589907.db2.gz PHKUPWLRMKQOGL-QWRGUYRKSA-N 1 0 306.793 3.866 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371326624 1028690086 /nfs/dbraw/zinc/69/00/86/1028690086.db2.gz JORIOCGVDQNCKM-RBUKOAKNSA-N 1 0 314.473 3.535 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H](c3cccs3)C[C@@H]2C)c1O ZINC000371397867 1028700352 /nfs/dbraw/zinc/70/03/52/1028700352.db2.gz FMGICWYLPPAPRE-JSGCOSHPSA-N 1 0 303.427 3.840 20 10 DHCDRO C[C@H]1CCSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000189918870 1028711122 /nfs/dbraw/zinc/71/11/22/1028711122.db2.gz RPSOLLRZYKRBDU-LBPRGKRZSA-N 1 0 309.475 3.723 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)C[C@@H]2C)c1O ZINC000372405583 1028852083 /nfs/dbraw/zinc/85/20/83/1028852083.db2.gz WMYDBIAFEUPKJA-WFASDCNBSA-N 1 0 303.427 3.840 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)Cc1ccsc1 ZINC000190259820 1028866484 /nfs/dbraw/zinc/86/64/84/1028866484.db2.gz JGAUFAWAUQQTKY-CYBMUJFWSA-N 1 0 305.443 3.915 20 10 DHCDRO C[N@H+](Cc1conc1Cc1ccccc1)Cc1ccccc1O ZINC000816493100 1028898277 /nfs/dbraw/zinc/89/82/77/1028898277.db2.gz PCPCFMTXSLJFGT-UHFFFAOYSA-N 1 0 308.381 3.603 20 10 DHCDRO Oc1c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)ccc2ccccc21 ZINC000816499321 1028905392 /nfs/dbraw/zinc/90/53/92/1028905392.db2.gz LJZGGLQHYJOLBM-KRWDZBQOSA-N 1 0 307.397 3.996 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516532 1028917480 /nfs/dbraw/zinc/91/74/80/1028917480.db2.gz IQFPDLXOTFKEDW-QGZVFWFLSA-N 1 0 311.425 3.794 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC[C@H](C)C1 ZINC000816535613 1028922437 /nfs/dbraw/zinc/92/24/37/1028922437.db2.gz UMSGAQAFWZUJAA-JKSUJKDBSA-N 1 0 312.457 3.755 20 10 DHCDRO C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H](C)c1ccccc1O ZINC000372927012 1028922649 /nfs/dbraw/zinc/92/26/49/1028922649.db2.gz KHZKTXAZLZXQEW-ZIAGYGMSSA-N 1 0 323.396 3.724 20 10 DHCDRO Oc1c(C[NH2+]CCc2ccc3c(c2)CCO3)ccc2ccccc21 ZINC000816550320 1028928396 /nfs/dbraw/zinc/92/83/96/1028928396.db2.gz OAXYNOFWYSIHRF-UHFFFAOYSA-N 1 0 319.404 3.813 20 10 DHCDRO CC1(C)CCCN(CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816593559 1028939697 /nfs/dbraw/zinc/93/96/97/1028939697.db2.gz WBJZMWZWBIJCMX-UHFFFAOYSA-N 1 0 312.457 3.757 20 10 DHCDRO Cc1[nH+]c2cc(NCc3cc(Cl)c(F)cc3O)ccc2n1C ZINC000816564170 1028945404 /nfs/dbraw/zinc/94/54/04/1028945404.db2.gz WXUQLDSDKFDZIZ-UHFFFAOYSA-N 1 0 319.767 3.992 20 10 DHCDRO CC(C)C[N@H+](CCN(C)C)Cc1ccc2ccccc2c1O ZINC000816610501 1028960074 /nfs/dbraw/zinc/96/00/74/1028960074.db2.gz MSDNZCMJKPHFKX-UHFFFAOYSA-N 1 0 300.446 3.565 20 10 DHCDRO C[C@H](F)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000816643880 1028972326 /nfs/dbraw/zinc/97/23/26/1028972326.db2.gz UFNYXPAJVNHYLE-AWEZNQCLSA-N 1 0 303.377 3.809 20 10 DHCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)C1CCCCC1 ZINC000816649904 1028974744 /nfs/dbraw/zinc/97/47/44/1028974744.db2.gz NSAIYSKRORQUKZ-SFHVURJKSA-N 1 0 313.441 3.824 20 10 DHCDRO COc1cc(CC[NH2+]Cc2cccc(C)c2O)ccc1Cl ZINC000816664988 1028984324 /nfs/dbraw/zinc/98/43/24/1028984324.db2.gz NCGRIWKFFVPJHC-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2COc3cccc(F)c32)c(O)c1 ZINC000373285189 1028997158 /nfs/dbraw/zinc/99/71/58/1028997158.db2.gz OLTMGBVRQGOSHF-OAHLLOKOSA-N 1 0 317.360 3.543 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3csc(C)c3)C2)c1O ZINC000373565513 1029079802 /nfs/dbraw/zinc/07/98/02/1029079802.db2.gz BYTTVAHKTIQUKN-CYBMUJFWSA-N 1 0 303.427 3.760 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000817410300 1029149903 /nfs/dbraw/zinc/14/99/03/1029149903.db2.gz KWLSMQSAPSCRCK-ZDUSSCGKSA-N 1 0 311.878 3.977 20 10 DHCDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817413276 1029152403 /nfs/dbraw/zinc/15/24/03/1029152403.db2.gz VNFLLCQQTPOTMC-HZPDHXFCSA-N 1 0 311.425 3.510 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000817412230 1029152697 /nfs/dbraw/zinc/15/26/97/1029152697.db2.gz GSYMNPSIUWXFCI-LBPRGKRZSA-N 1 0 317.351 3.955 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccc(N(C)C)cc1 ZINC000817584100 1029212710 /nfs/dbraw/zinc/21/27/10/1029212710.db2.gz RQYWSEPMSIZTMT-MAUKXSAKSA-N 1 0 309.457 3.746 20 10 DHCDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1O ZINC000155590602 1029258544 /nfs/dbraw/zinc/25/85/44/1029258544.db2.gz WVMZOQPRFDBTPC-AWEZNQCLSA-N 1 0 303.406 3.572 20 10 DHCDRO CCCOc1ccc(CN2CCC[C@@H]2c2nccs2)c(O)c1 ZINC000374302967 1029284107 /nfs/dbraw/zinc/28/41/07/1029284107.db2.gz REJLYOLNHGMKPA-OAHLLOKOSA-N 1 0 318.442 3.975 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817940264 1029284437 /nfs/dbraw/zinc/28/44/37/1029284437.db2.gz FCYIJLZAFHMYEL-DLBZAZTESA-N 1 0 303.475 3.555 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000817939088 1029284585 /nfs/dbraw/zinc/28/45/85/1029284585.db2.gz YRQUSQCUMPRSDS-PMACEKPBSA-N 1 0 311.473 3.802 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817937987 1029285358 /nfs/dbraw/zinc/28/53/58/1029285358.db2.gz AXJVOYQKTMBSSQ-ACJLOTCBSA-N 1 0 317.864 3.757 20 10 DHCDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965721 1029289984 /nfs/dbraw/zinc/28/99/84/1029289984.db2.gz ZJTZOODDEICLKB-JTQLQIEISA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000817947090 1029290311 /nfs/dbraw/zinc/29/03/11/1029290311.db2.gz JPWUPSDCCSTNFF-VWYCJHECSA-N 1 0 317.260 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000817955149 1029298353 /nfs/dbraw/zinc/29/83/53/1029298353.db2.gz REAOZFJYMDSBKX-MLGOLLRUSA-N 1 0 304.821 3.705 20 10 DHCDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817960562 1029299591 /nfs/dbraw/zinc/29/95/91/1029299591.db2.gz ODLFNBSYUAPYEM-JTQLQIEISA-N 1 0 304.356 3.579 20 10 DHCDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959437 1029300302 /nfs/dbraw/zinc/30/03/02/1029300302.db2.gz RGVDXZSNKKNOBE-VQIMIIECSA-N 1 0 303.494 3.701 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968800 1029306418 /nfs/dbraw/zinc/30/64/18/1029306418.db2.gz MUCCEBOYIHWDOQ-GWCFXTLKSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc(OC)c1O ZINC000191190670 1029309476 /nfs/dbraw/zinc/30/94/76/1029309476.db2.gz XYLHNSCVUXGZOT-UHFFFAOYSA-N 1 0 310.397 3.904 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1O ZINC000817977285 1029313329 /nfs/dbraw/zinc/31/33/29/1029313329.db2.gz GNKPZCLMYRFZDP-LBPRGKRZSA-N 1 0 300.377 3.740 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1C ZINC000817975230 1029313441 /nfs/dbraw/zinc/31/34/41/1029313441.db2.gz RPTQSYFURASTOA-HNAYVOBHSA-N 1 0 310.441 3.547 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984372 1029319573 /nfs/dbraw/zinc/31/95/73/1029319573.db2.gz RKAVFDSGEQMVLF-GXFFZTMASA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1[O-] ZINC000817984017 1029322122 /nfs/dbraw/zinc/32/21/22/1029322122.db2.gz UVUMQUJIGBNQIF-SUMWQHHRSA-N 1 0 302.393 3.662 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccccc1O ZINC000156065470 1029368409 /nfs/dbraw/zinc/36/84/09/1029368409.db2.gz OIRAXDCWECLESV-RDTXWAMCSA-N 1 0 315.413 3.909 20 10 DHCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341716 1029372716 /nfs/dbraw/zinc/37/27/16/1029372716.db2.gz DRVWLNUJDHUEJX-CVEARBPZSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000818342968 1029376005 /nfs/dbraw/zinc/37/60/05/1029376005.db2.gz XERQQCCWXHOVEG-MGPUTAFESA-N 1 0 314.473 3.690 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccccc1O ZINC000156083087 1029376378 /nfs/dbraw/zinc/37/63/78/1029376378.db2.gz CPBRISLMILGLRR-GDBMZVCRSA-N 1 0 315.413 3.909 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000320829298 1029427541 /nfs/dbraw/zinc/42/75/41/1029427541.db2.gz FXGPLWVRCXEHAC-ABAIWWIYSA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000374675618 1029430421 /nfs/dbraw/zinc/43/04/21/1029430421.db2.gz FGEJFVDCCAFJEG-AWEZNQCLSA-N 1 0 316.470 3.769 20 10 DHCDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000156303756 1029434463 /nfs/dbraw/zinc/43/44/63/1029434463.db2.gz XJXLJIHHOUHEAR-INIZCTEOSA-N 1 0 322.456 3.602 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373822015 1029825152 /nfs/dbraw/zinc/82/51/52/1029825152.db2.gz WLXNYRPXQDWFMH-INIZCTEOSA-N 1 0 321.779 3.624 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000865653640 1029962326 /nfs/dbraw/zinc/96/23/26/1029962326.db2.gz SQVNSVKHYVBYQK-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCSCCC(F)(F)F)cc1 ZINC000865789121 1030028673 /nfs/dbraw/zinc/02/86/73/1030028673.db2.gz QIROGALKYXBJHZ-UHFFFAOYSA-N 1 0 306.397 3.528 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2OC)c(O)c1 ZINC000865821199 1030041399 /nfs/dbraw/zinc/04/13/99/1030041399.db2.gz AAMNTWSJJNZYPL-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CCCSc1nccs1 ZINC000925100708 1030272510 /nfs/dbraw/zinc/27/25/10/1030272510.db2.gz DOSQHEIDHFBTDM-TZMCWYRMSA-N 1 0 302.509 3.545 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C ZINC000291011984 1030286923 /nfs/dbraw/zinc/28/69/23/1030286923.db2.gz WXKDBDPPGYYPJR-MSOLQXFVSA-N 1 0 301.430 3.543 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c(O)c1 ZINC000866479084 1030316205 /nfs/dbraw/zinc/31/62/05/1030316205.db2.gz OZLRFKOOTITQFI-HNNXBMFYSA-N 1 0 311.425 3.933 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866480499 1030317620 /nfs/dbraw/zinc/31/76/20/1030317620.db2.gz FBOPZMSSDRFJLU-RDJZCZTQSA-N 1 0 301.430 3.709 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000866486062 1030322912 /nfs/dbraw/zinc/32/29/12/1030322912.db2.gz XJAXUCAMRKIVNG-VXGBXAGGSA-N 1 0 312.369 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000866511651 1030336975 /nfs/dbraw/zinc/33/69/75/1030336975.db2.gz DWZWHCUOXIMNKG-HHXXYDBFSA-N 1 0 303.446 3.947 20 10 DHCDRO CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000866516468 1030342037 /nfs/dbraw/zinc/34/20/37/1030342037.db2.gz AAOZOUHGPADAHM-BFHRDPOASA-N 1 0 308.441 3.835 20 10 DHCDRO CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000866516470 1030343175 /nfs/dbraw/zinc/34/31/75/1030343175.db2.gz AAOZOUHGPADAHM-HQVVEAJESA-N 1 0 308.441 3.835 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1C ZINC000866529864 1030350812 /nfs/dbraw/zinc/35/08/12/1030350812.db2.gz SXRUYYBIIWRENH-JKSUJKDBSA-N 1 0 303.446 3.866 20 10 DHCDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823666912 1030362099 /nfs/dbraw/zinc/36/20/99/1030362099.db2.gz UYTRUCKOCCDPRH-HNNXBMFYSA-N 1 0 316.470 3.554 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000291153361 1030366353 /nfs/dbraw/zinc/36/63/53/1030366353.db2.gz IMPJDBIOYDGLCJ-LSDHHAIUSA-N 1 0 314.404 3.708 20 10 DHCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000823737549 1030376693 /nfs/dbraw/zinc/37/66/93/1030376693.db2.gz ZATDAIZUUOXCQJ-MJGOQNOKSA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(N(C)C)cc1 ZINC000866570082 1030381927 /nfs/dbraw/zinc/38/19/27/1030381927.db2.gz CUDZJELXZQCGLN-OAHLLOKOSA-N 1 0 322.456 3.533 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c(O)c1C ZINC000866573412 1030383837 /nfs/dbraw/zinc/38/38/37/1030383837.db2.gz KGMGJZJOZQJTHV-OAHLLOKOSA-N 1 0 323.440 3.789 20 10 DHCDRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823730680 1030384251 /nfs/dbraw/zinc/38/42/51/1030384251.db2.gz ZBAVIIKRJSCZRN-HOTGVXAUSA-N 1 0 304.478 3.999 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)c1O ZINC000866634941 1030416083 /nfs/dbraw/zinc/41/60/83/1030416083.db2.gz VYJPJSWFLGFCIY-RISCZKNCSA-N 1 0 305.809 3.736 20 10 DHCDRO Cc1cc(C)c([C@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755461 1030482566 /nfs/dbraw/zinc/48/25/66/1030482566.db2.gz WBZWXRKWIRWHJU-AWEZNQCLSA-N 1 0 312.413 3.547 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925785750 1030499000 /nfs/dbraw/zinc/49/90/00/1030499000.db2.gz OSVVZGOQDLSMSD-ISTVAULSSA-N 1 0 317.260 3.595 20 10 DHCDRO CCCN(Cc1ccnc(Cl)c1F)c1ccc(C[NH3+])cc1 ZINC000824292600 1030516100 /nfs/dbraw/zinc/51/61/00/1030516100.db2.gz RJIKDMKKRRJZFE-UHFFFAOYSA-N 1 0 307.800 3.749 20 10 DHCDRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000868090627 1030530348 /nfs/dbraw/zinc/53/03/48/1030530348.db2.gz MOLPUTGKKMGCFG-HDJSIYSDSA-N 1 0 323.400 3.961 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCCC(C)(F)F)c1O ZINC000824477845 1030561314 /nfs/dbraw/zinc/56/13/14/1030561314.db2.gz ZATBWCUPZOGBMB-UHFFFAOYSA-N 1 0 322.193 3.988 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000824483524 1030563735 /nfs/dbraw/zinc/56/37/35/1030563735.db2.gz OSTABVRDHXDABN-CQSZACIVSA-N 1 0 315.438 3.770 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000824515050 1030569619 /nfs/dbraw/zinc/56/96/19/1030569619.db2.gz DDKDUALPRYUWFR-RISCZKNCSA-N 1 0 319.367 3.860 20 10 DHCDRO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC000824583214 1030594496 /nfs/dbraw/zinc/59/44/96/1030594496.db2.gz JNAWEOJVPFQHSK-UHFFFAOYSA-N 1 0 308.784 3.647 20 10 DHCDRO Cc1cccnc1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000824783507 1030651686 /nfs/dbraw/zinc/65/16/86/1030651686.db2.gz OHQVIWJRCBLSGH-UHFFFAOYSA-N 1 0 306.409 3.971 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824971228 1030688436 /nfs/dbraw/zinc/68/84/36/1030688436.db2.gz PUSDNCCVFTTYFS-AWEZNQCLSA-N 1 0 318.244 3.855 20 10 DHCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825090704 1030725500 /nfs/dbraw/zinc/72/55/00/1030725500.db2.gz DZIYDRXWEHKQAP-LJQANCHMSA-N 1 0 316.489 3.660 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825121822 1030727402 /nfs/dbraw/zinc/72/74/02/1030727402.db2.gz UWZYFJSRLGJZET-UHFFFAOYSA-N 1 0 320.820 3.828 20 10 DHCDRO COc1cccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)c1O ZINC000825129707 1030732536 /nfs/dbraw/zinc/73/25/36/1030732536.db2.gz BHIHRXQWELAQMF-UHFFFAOYSA-N 1 0 317.816 3.919 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1F ZINC000825221728 1030747605 /nfs/dbraw/zinc/74/76/05/1030747605.db2.gz WRSIGGHDYDXWOT-UHFFFAOYSA-N 1 0 315.436 3.974 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1Cl ZINC000825394491 1030798813 /nfs/dbraw/zinc/79/88/13/1030798813.db2.gz AVACWPMLEYIVSC-IAQYHMDHSA-N 1 0 309.793 3.549 20 10 DHCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000897525216 1030802014 /nfs/dbraw/zinc/80/20/14/1030802014.db2.gz KOFGUWSFSHZZDG-OAHLLOKOSA-N 1 0 319.367 3.577 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000237360532 1030828403 /nfs/dbraw/zinc/82/84/03/1030828403.db2.gz RLACCHVFPUWDQJ-UHFFFAOYSA-N 1 0 310.397 3.535 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1O ZINC000237423437 1030908878 /nfs/dbraw/zinc/90/88/78/1030908878.db2.gz FICFLJAPKCQTGS-AEFFLSMTSA-N 1 0 311.425 3.902 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926904981 1030978644 /nfs/dbraw/zinc/97/86/44/1030978644.db2.gz KNULWSYKBVCNCD-DRCTWCGVSA-N 1 0 321.314 3.682 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000927009395 1031030795 /nfs/dbraw/zinc/03/07/95/1031030795.db2.gz CPSQQFQXTXCZLQ-UKRRQHHQSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)c1O ZINC000927038001 1031046251 /nfs/dbraw/zinc/04/62/51/1031046251.db2.gz OTCSJJAFDKZYEL-CHWSQXEVSA-N 1 0 307.459 3.870 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)n1 ZINC000927054406 1031054815 /nfs/dbraw/zinc/05/48/15/1031054815.db2.gz XZCOJIIRTGRTQH-MGPQQGTHSA-N 1 0 315.417 3.633 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c(O)c1C ZINC000927066737 1031066470 /nfs/dbraw/zinc/06/64/70/1031066470.db2.gz CZRCSSQKVMKWAF-YOEHRIQHSA-N 1 0 301.434 3.790 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1O ZINC000927101214 1031088529 /nfs/dbraw/zinc/08/85/29/1031088529.db2.gz KGMSNWIRPDSLKA-OAHLLOKOSA-N 1 0 319.836 3.897 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107123 1031090683 /nfs/dbraw/zinc/09/06/83/1031090683.db2.gz CTJZOTYUAQQRGH-OAHLLOKOSA-N 1 0 319.836 3.897 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1OCCc3ccccc31)CC2 ZINC000927113239 1031099403 /nfs/dbraw/zinc/09/94/03/1031099403.db2.gz XUUKSHQOTBCGCZ-PKOBYXMFSA-N 1 0 309.409 3.673 20 10 DHCDRO Cc1nnc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)[nH]1 ZINC000292657549 1031117946 /nfs/dbraw/zinc/11/79/46/1031117946.db2.gz AWBRJPITHJPNJV-CQSZACIVSA-N 1 0 322.412 3.582 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)cc1 ZINC000844422986 1031118976 /nfs/dbraw/zinc/11/89/76/1031118976.db2.gz JTMDDTPDNKWLAO-UHFFFAOYSA-N 1 0 314.477 3.770 20 10 DHCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)c(C)c2)C(C)C)cn1 ZINC000844424011 1031122139 /nfs/dbraw/zinc/12/21/39/1031122139.db2.gz WERWUFURIHJZHR-UHFFFAOYSA-N 1 0 314.477 3.688 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)c2c1c(F)ccc2O ZINC000844920642 1031401316 /nfs/dbraw/zinc/40/13/16/1031401316.db2.gz NKEGAGRHFXRDOF-PVXIVEMSSA-N 1 0 312.388 3.706 20 10 DHCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872038259 1031421260 /nfs/dbraw/zinc/42/12/60/1031421260.db2.gz MBSANKIAOZHRAX-STQMWFEESA-N 1 0 314.520 3.809 20 10 DHCDRO CSc1ccc([C@@H](C[NH2+]Cc2ccccc2O)N(C)C)cc1 ZINC000293486313 1031489528 /nfs/dbraw/zinc/48/95/28/1031489528.db2.gz SIOPJRGCSYOQJH-QGZVFWFLSA-N 1 0 316.470 3.507 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000872123158 1031513192 /nfs/dbraw/zinc/51/31/92/1031513192.db2.gz RZAJZUIQKAOOTA-AWEZNQCLSA-N 1 0 312.369 3.788 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3oc(=O)[nH]c3c2)c(O)c1C ZINC000872122409 1031513276 /nfs/dbraw/zinc/51/32/76/1031513276.db2.gz FNKPQBYYDXITME-LBPRGKRZSA-N 1 0 312.369 3.707 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3c(C)cc(C)cc3O)cn2c1 ZINC000293586011 1031526764 /nfs/dbraw/zinc/52/67/64/1031526764.db2.gz FETMQBYVWODIRY-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000293644373 1031551214 /nfs/dbraw/zinc/55/12/14/1031551214.db2.gz HJOMLJJZIXHOSB-ZDUSSCGKSA-N 1 0 301.434 3.852 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293708845 1031580648 /nfs/dbraw/zinc/58/06/48/1031580648.db2.gz LVNCOFJNXFUGAE-UKRRQHHQSA-N 1 0 301.434 3.501 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293708846 1031581339 /nfs/dbraw/zinc/58/13/39/1031581339.db2.gz LVNCOFJNXFUGAE-ZFWWWQNUSA-N 1 0 301.434 3.501 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC000872815973 1031666668 /nfs/dbraw/zinc/66/66/68/1031666668.db2.gz FFTSONKLSVZAAV-IUODEOHRSA-N 1 0 317.351 3.551 20 10 DHCDRO CC(C)[N@H+](Cc1c(O)cc(O)cc1O)[C@@H](C)c1ccccc1 ZINC001144515651 1031675576 /nfs/dbraw/zinc/67/55/76/1031675576.db2.gz CVRFFRQGWJOOSH-ZDUSSCGKSA-N 1 0 301.386 3.775 20 10 DHCDRO Cc1c(C[NH2+]CCCSc2nccs2)cccc1[N+](=O)[O-] ZINC000873053826 1031701175 /nfs/dbraw/zinc/70/11/75/1031701175.db2.gz HDWIVZCXPCSACD-UHFFFAOYSA-N 1 0 323.443 3.632 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1C ZINC000873097700 1031709911 /nfs/dbraw/zinc/70/99/11/1031709911.db2.gz DMXHLVYCUSYLOR-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000873108407 1031712513 /nfs/dbraw/zinc/71/25/13/1031712513.db2.gz XSGVOARDYPCLTN-IEBWSBKVSA-N 1 0 303.446 3.831 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(C)onc2CC)cc1C ZINC000873128208 1031718453 /nfs/dbraw/zinc/71/84/53/1031718453.db2.gz HFDJKERPINEDTG-UHFFFAOYSA-N 1 0 302.418 3.932 20 10 DHCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000873215235 1031760889 /nfs/dbraw/zinc/76/08/89/1031760889.db2.gz UDWYMCMOGXWHMU-DZGCQCFKSA-N 1 0 306.768 3.611 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873272174 1031783663 /nfs/dbraw/zinc/78/36/63/1031783663.db2.gz QBJXPSNUFYEIRY-UWVGGRQHSA-N 1 0 317.260 3.738 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(Cl)c1 ZINC000846014911 1031810415 /nfs/dbraw/zinc/81/04/15/1031810415.db2.gz UTMQKXBTBHYPMA-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(C)c1OC ZINC000846056659 1031817864 /nfs/dbraw/zinc/81/78/64/1031817864.db2.gz WDWUDMCXOAZFOK-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCn1cc(C[N@H+](Cc2cc(Cl)cc(C)c2O)C(C)C)cn1 ZINC000846055627 1031849540 /nfs/dbraw/zinc/84/95/40/1031849540.db2.gz NPQCQRIWLORUFF-UHFFFAOYSA-N 1 0 321.852 3.981 20 10 DHCDRO CCOc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC000846101393 1031873108 /nfs/dbraw/zinc/87/31/08/1031873108.db2.gz BTKHYRYRVSNZLN-LBPRGKRZSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c1O ZINC000846147110 1031883458 /nfs/dbraw/zinc/88/34/58/1031883458.db2.gz MEDYRWROLMSEHV-SGMGOOAPSA-N 1 0 321.442 3.625 20 10 DHCDRO CCOc1cccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846154635 1031884856 /nfs/dbraw/zinc/88/48/56/1031884856.db2.gz BTTDQCIVAVZEIH-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)c1O ZINC000846151520 1031886166 /nfs/dbraw/zinc/88/61/66/1031886166.db2.gz ZLUDQEGPVUHGKV-WMLDXEAASA-N 1 0 314.429 3.886 20 10 DHCDRO CCOc1cccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846154637 1031886482 /nfs/dbraw/zinc/88/64/82/1031886482.db2.gz BTTDQCIVAVZEIH-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846150440 1031886570 /nfs/dbraw/zinc/88/65/70/1031886570.db2.gz HKHUAEDFVCXXKK-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846156514 1031887343 /nfs/dbraw/zinc/88/73/43/1031887343.db2.gz MQHWTJVZAABPPG-BBRMVZONSA-N 1 0 309.450 3.893 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1O ZINC000846156988 1031888118 /nfs/dbraw/zinc/88/81/18/1031888118.db2.gz QWOBJRVLXPUFRQ-CYBMUJFWSA-N 1 0 315.417 3.563 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2Cl)c1O ZINC000846158168 1031889482 /nfs/dbraw/zinc/88/94/82/1031889482.db2.gz UHWQKZCOWSFKFQ-GFCCVEGCSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000846159307 1031890448 /nfs/dbraw/zinc/89/04/48/1031890448.db2.gz JDNJVYIUAHMUQN-KKUMJFAQSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCc2ccccc2F)c1O ZINC000846168760 1031893448 /nfs/dbraw/zinc/89/34/48/1031893448.db2.gz VGNCBOQENAHZKY-CYBMUJFWSA-N 1 0 303.377 3.823 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000846169732 1031896667 /nfs/dbraw/zinc/89/66/67/1031896667.db2.gz SHLCIGKQVXNHME-RNCFNFMXSA-N 1 0 304.217 3.635 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846136256 1031899309 /nfs/dbraw/zinc/89/93/09/1031899309.db2.gz JVVPFQRFXMFJSJ-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000846141094 1031899529 /nfs/dbraw/zinc/89/95/29/1031899529.db2.gz DFLXCLJMRPLECI-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1O ZINC000846140928 1031899886 /nfs/dbraw/zinc/89/98/86/1031899886.db2.gz AEIPWZRIEPMYOH-MEDUHNTESA-N 1 0 301.361 3.878 20 10 DHCDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc2nonc12 ZINC000897993461 1031900883 /nfs/dbraw/zinc/90/08/83/1031900883.db2.gz DMUMKTVKNKBCDD-UHFFFAOYSA-N 1 0 322.412 3.503 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2cccc(F)c2)c1O ZINC000846143700 1031903867 /nfs/dbraw/zinc/90/38/67/1031903867.db2.gz KICRVGVYUSYMEZ-QWHCGFSZSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2cccc(Cl)c2)c1O ZINC000846141403 1031903920 /nfs/dbraw/zinc/90/39/20/1031903920.db2.gz IEMOHTCJOWVUCG-GFCCVEGCSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)COc2cccc(C)c2)c1O ZINC000846148054 1031910497 /nfs/dbraw/zinc/91/04/97/1031910497.db2.gz ZEARWHYXBAXSAE-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)c1O ZINC000846146251 1031910657 /nfs/dbraw/zinc/91/06/57/1031910657.db2.gz OUCUYNBWIYGKIA-OLZOCXBDSA-N 1 0 305.443 3.992 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1F ZINC000846184064 1031916064 /nfs/dbraw/zinc/91/60/64/1031916064.db2.gz QICVOLVLOBVQTI-RVPKQNPDSA-N 1 0 323.795 3.957 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1F ZINC000846182414 1031917193 /nfs/dbraw/zinc/91/71/93/1031917193.db2.gz JPWHSYRWZFOIKG-WVQJBOLRSA-N 1 0 323.795 3.957 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(Br)s2)c1O ZINC000124679609 1031940834 /nfs/dbraw/zinc/94/08/34/1031940834.db2.gz ZLWRQDQZXMZHKK-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000294471235 1032017016 /nfs/dbraw/zinc/01/70/16/1032017016.db2.gz WQMHWPKAZAFVDX-LBPRGKRZSA-N 1 0 322.355 3.856 20 10 DHCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877503222 1033328165 /nfs/dbraw/zinc/32/81/65/1033328165.db2.gz GTOGANPACREDJB-MRXNPFEDSA-N 1 0 301.361 3.625 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(OC)c(OC)c1 ZINC000877515757 1033331797 /nfs/dbraw/zinc/33/17/97/1033331797.db2.gz OGWMUJVUEZGBIF-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000877516612 1033331926 /nfs/dbraw/zinc/33/19/26/1033331926.db2.gz GYAPVKDWLIOIKB-HSALFYBXSA-N 1 0 323.436 3.705 20 10 DHCDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877575134 1033363577 /nfs/dbraw/zinc/36/35/77/1033363577.db2.gz IGPFVJHFTPHQIR-DLBZAZTESA-N 1 0 316.489 3.658 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]CCC(C)(C)SC)C2)cc1 ZINC000877598702 1033376603 /nfs/dbraw/zinc/37/66/03/1033376603.db2.gz RPZVCROYOXICPM-OAHLLOKOSA-N 1 0 322.518 3.643 20 10 DHCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000877612019 1033381563 /nfs/dbraw/zinc/38/15/63/1033381563.db2.gz AWMCSJPHKWNKNW-YBTHPKLGSA-N 1 0 319.769 3.858 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000877612565 1033381961 /nfs/dbraw/zinc/38/19/61/1033381961.db2.gz KXIYUUVFHNUUJC-GOSISDBHSA-N 1 0 321.424 3.508 20 10 DHCDRO Oc1cccc(C[NH2+]C2CCC(Cc3ccccc3)CC2)c1O ZINC001172820319 1033384862 /nfs/dbraw/zinc/38/48/62/1033384862.db2.gz SWNJAVOXMSLHFH-UHFFFAOYSA-N 1 0 311.425 3.989 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1O ZINC000877661967 1033400398 /nfs/dbraw/zinc/40/03/98/1033400398.db2.gz KJCQCVYCOFGWEA-AEFFLSMTSA-N 1 0 319.351 3.599 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000877674939 1033407092 /nfs/dbraw/zinc/40/70/92/1033407092.db2.gz XMWIZLKMMSSYSE-RBUKOAKNSA-N 1 0 311.425 3.707 20 10 DHCDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000151150256 1033421705 /nfs/dbraw/zinc/42/17/05/1033421705.db2.gz KJKRQOGDDLYAPG-KRWDZBQOSA-N 1 0 312.461 3.614 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000151151997 1033421997 /nfs/dbraw/zinc/42/19/97/1033421997.db2.gz UQNUFGBEMGSOPN-MRXNPFEDSA-N 1 0 312.461 3.651 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877824115 1033473676 /nfs/dbraw/zinc/47/36/76/1033473676.db2.gz OVVLNYMMSORTJT-TVQRCGJNSA-N 1 0 323.742 3.587 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152947282 1033550910 /nfs/dbraw/zinc/55/09/10/1033550910.db2.gz LCAIVIYHNXDDRQ-OAHLLOKOSA-N 1 0 314.404 3.513 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153109819 1033562525 /nfs/dbraw/zinc/56/25/25/1033562525.db2.gz SPAWGSGWAGSYLA-CABCVRRESA-N 1 0 306.425 3.503 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCc2ncsc2C1 ZINC001173140557 1033565781 /nfs/dbraw/zinc/56/57/81/1033565781.db2.gz HWYGNTCNPWKPGB-INIZCTEOSA-N 1 0 315.486 3.589 20 10 DHCDRO O=C(C[NH2+][C@@H]1CCCC2(CCCCC2)C1)c1ccc(O)c(O)c1 ZINC001173338927 1033693664 /nfs/dbraw/zinc/69/36/64/1033693664.db2.gz CPYFTTXWJVJDBZ-OAHLLOKOSA-N 1 0 317.429 3.763 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000826049736 1033751097 /nfs/dbraw/zinc/75/10/97/1033751097.db2.gz YJJYOJTZWURZMP-DJIMGWMZSA-N 1 0 323.864 3.870 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862394202 1033839199 /nfs/dbraw/zinc/83/91/99/1033839199.db2.gz DPEURNPGQVIUAX-AWEZNQCLSA-N 1 0 313.445 3.647 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000862485490 1033866754 /nfs/dbraw/zinc/86/67/54/1033866754.db2.gz NOTJSFFSEUKLAF-GDBMZVCRSA-N 1 0 319.445 3.500 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1F ZINC000862540975 1033882595 /nfs/dbraw/zinc/88/25/95/1033882595.db2.gz MUFSCNQQNDYFGT-INIZCTEOSA-N 1 0 314.404 3.587 20 10 DHCDRO C[C@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@H](C)C1(F)F ZINC000863273982 1034051741 /nfs/dbraw/zinc/05/17/41/1034051741.db2.gz GKHZBCUJPNFWNU-RYUDHWBXSA-N 1 0 306.356 3.664 20 10 DHCDRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879647823 1034071590 /nfs/dbraw/zinc/07/15/90/1034071590.db2.gz MNOYSSSDRCQHSB-KGLIPLIRSA-N 1 0 312.413 3.632 20 10 DHCDRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879653280 1034073230 /nfs/dbraw/zinc/07/32/30/1034073230.db2.gz MNOYSSSDRCQHSB-KBPBESRZSA-N 1 0 312.413 3.632 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000842163103 1034220861 /nfs/dbraw/zinc/22/08/61/1034220861.db2.gz JZXSWYSVEPEGLB-GVDBMIGSSA-N 1 0 316.489 3.778 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000178529854 1034246989 /nfs/dbraw/zinc/24/69/89/1034246989.db2.gz UGBSCMAYQHWPCI-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000178701579 1034258421 /nfs/dbraw/zinc/25/84/21/1034258421.db2.gz PYCLSIKHKZGWLN-KXBFYZLASA-N 1 0 314.477 3.635 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1OC ZINC000179476107 1034312630 /nfs/dbraw/zinc/31/26/30/1034312630.db2.gz LSTZAZNNTNSZAG-INIZCTEOSA-N 1 0 313.397 3.529 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000179577785 1034319344 /nfs/dbraw/zinc/31/93/44/1034319344.db2.gz ZJNUSTFCZVIMCR-UHFFFAOYSA-N 1 0 313.241 3.709 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000183250956 1034366735 /nfs/dbraw/zinc/36/67/35/1034366735.db2.gz NQLMRIWEWOPISY-GOSISDBHSA-N 1 0 312.461 3.507 20 10 DHCDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1O)O[C@@H](C)C2 ZINC000183406929 1034383567 /nfs/dbraw/zinc/38/35/67/1034383567.db2.gz BYPVVUVEMDBTGV-STQMWFEESA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1O ZINC000183440509 1034388153 /nfs/dbraw/zinc/38/81/53/1034388153.db2.gz XRHTUSVKMXIZHI-HNNXBMFYSA-N 1 0 324.424 3.760 20 10 DHCDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1O ZINC000183551649 1034400144 /nfs/dbraw/zinc/40/01/44/1034400144.db2.gz DRVMHTKGBQBYRY-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183730446 1034417130 /nfs/dbraw/zinc/41/71/30/1034417130.db2.gz MZCXMNVSRAMLET-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794801910 1034472677 /nfs/dbraw/zinc/47/26/77/1034472677.db2.gz BROQKXODKRHRDJ-HNNXBMFYSA-N 1 0 322.449 3.608 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(C)cc1O ZINC000794794327 1034475599 /nfs/dbraw/zinc/47/55/99/1034475599.db2.gz LWUSTEPWQNWBHI-HOCLYGCPSA-N 1 0 313.397 3.581 20 10 DHCDRO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C)cc1O ZINC000794806702 1034497855 /nfs/dbraw/zinc/49/78/55/1034497855.db2.gz VIFQRDVEAITLPK-MRXNPFEDSA-N 1 0 309.413 3.791 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000184885142 1034510452 /nfs/dbraw/zinc/51/04/52/1034510452.db2.gz XDAJMMAFDVGKTA-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1O ZINC000794815873 1034526432 /nfs/dbraw/zinc/52/64/32/1034526432.db2.gz MAYVKFAFDCTONV-QGZVFWFLSA-N 1 0 314.385 3.892 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccc(C)cc1O ZINC000794817425 1034527599 /nfs/dbraw/zinc/52/75/99/1034527599.db2.gz NAYRLRQESZCHGJ-CRAIPNDOSA-N 1 0 317.429 3.982 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(O)c1 ZINC000185232537 1034535969 /nfs/dbraw/zinc/53/59/69/1034535969.db2.gz UJUMFSZKVBQSSB-CYBMUJFWSA-N 1 0 302.393 3.757 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1O ZINC000794818506 1034537280 /nfs/dbraw/zinc/53/72/80/1034537280.db2.gz XFRXLJZKAOBEKE-IEBWSBKVSA-N 1 0 313.441 3.653 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1O ZINC000185312721 1034541208 /nfs/dbraw/zinc/54/12/08/1034541208.db2.gz JFFIUNDREUQBKU-SJKOYZFVSA-N 1 0 305.805 3.604 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C)cc1O ZINC000794819683 1034542980 /nfs/dbraw/zinc/54/29/80/1034542980.db2.gz XHKFVMIBIXSLMA-QUCCMNQESA-N 1 0 311.425 3.575 20 10 DHCDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185338266 1034543054 /nfs/dbraw/zinc/54/30/54/1034543054.db2.gz MFTZKYOKXDMGLU-CQSZACIVSA-N 1 0 312.413 3.552 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185349771 1034544244 /nfs/dbraw/zinc/54/42/44/1034544244.db2.gz XPSTUCUCUYVGRC-OLZOCXBDSA-N 1 0 309.413 3.999 20 10 DHCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000185475300 1034550578 /nfs/dbraw/zinc/55/05/78/1034550578.db2.gz SUHKZQUPSSCLES-XMHCIUCPSA-N 1 0 319.470 3.743 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000185532296 1034554491 /nfs/dbraw/zinc/55/44/91/1034554491.db2.gz UHTSEZLKPXVJCF-KBXCAEBGSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)c1 ZINC000185808070 1034574289 /nfs/dbraw/zinc/57/42/89/1034574289.db2.gz RPHCMLUKQPJAJM-LLVKDONJSA-N 1 0 306.431 3.832 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000186321619 1034618511 /nfs/dbraw/zinc/61/85/11/1034618511.db2.gz VKBFOTNOCLDCFH-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000186355104 1034623416 /nfs/dbraw/zinc/62/34/16/1034623416.db2.gz JORVAEMCUIDHKX-KCMWZYNZSA-N 1 0 301.430 3.699 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2cc(C)c(C)cc2O)c(C)n1 ZINC000773409183 1034635805 /nfs/dbraw/zinc/63/58/05/1034635805.db2.gz KNQFPVWLOXNYLO-UHFFFAOYSA-N 1 0 301.434 3.604 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccco2)c1O ZINC000186913842 1034674867 /nfs/dbraw/zinc/67/48/67/1034674867.db2.gz NDKXYWAQVFZBSJ-JTQLQIEISA-N 1 0 310.191 3.907 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccncc2CC)c(O)c1 ZINC000773425669 1034679127 /nfs/dbraw/zinc/67/91/27/1034679127.db2.gz ARNQAQBJCVDVNQ-CYBMUJFWSA-N 1 0 300.402 3.599 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2CC)c(O)c1 ZINC000773425670 1034679194 /nfs/dbraw/zinc/67/91/94/1034679194.db2.gz ARNQAQBJCVDVNQ-ZDUSSCGKSA-N 1 0 300.402 3.599 20 10 DHCDRO CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187676552 1034723355 /nfs/dbraw/zinc/72/33/55/1034723355.db2.gz KYLTZKJSLZSMRD-LBPRGKRZSA-N 1 0 312.404 3.586 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000192374117 1034798918 /nfs/dbraw/zinc/79/89/18/1034798918.db2.gz CDKZMSLVMQMVMS-ICSRJNTNSA-N 1 0 310.441 3.620 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC001177066367 1035346869 /nfs/dbraw/zinc/34/68/69/1035346869.db2.gz VUYFRVRTVCQYMM-HEDKFQSOSA-N 1 0 323.484 3.658 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ccc(Cl)nc2)ccc1OC ZINC001177334648 1035364539 /nfs/dbraw/zinc/36/45/39/1035364539.db2.gz VCOFVKGWMVOLAL-UHFFFAOYSA-N 1 0 320.820 3.570 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)COc2ccccc2F)cc1C ZINC001177464931 1035370357 /nfs/dbraw/zinc/37/03/57/1035370357.db2.gz YNRAZYMLIDAIGE-AWEZNQCLSA-N 1 0 303.377 3.700 20 10 DHCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001177483473 1035372564 /nfs/dbraw/zinc/37/25/64/1035372564.db2.gz TWLPWPHIUUWNLO-GOSISDBHSA-N 1 0 316.489 3.972 20 10 DHCDRO CS[C@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC001177904025 1035397546 /nfs/dbraw/zinc/39/75/46/1035397546.db2.gz GMSWXFAIKRVQPU-NEPJUHHUSA-N 1 0 302.534 3.889 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3Cl)cc2)CC1 ZINC001178122899 1035412287 /nfs/dbraw/zinc/41/22/87/1035412287.db2.gz BSXXTRNIYJWFNL-UHFFFAOYSA-N 1 0 315.848 3.704 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)CCO2 ZINC001178440828 1035426595 /nfs/dbraw/zinc/42/65/95/1035426595.db2.gz TWZNKKGDROMYSY-QGZVFWFLSA-N 1 0 313.397 3.626 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001178610303 1035439369 /nfs/dbraw/zinc/43/93/69/1035439369.db2.gz OYEMVUPKEXWLRP-UHFFFAOYSA-N 1 0 323.396 3.727 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000773765444 1035442937 /nfs/dbraw/zinc/44/29/37/1035442937.db2.gz KBNMZJXKNDFVRW-INIZCTEOSA-N 1 0 312.457 3.911 20 10 DHCDRO COc1cccc(C2(C[NH2+]Cc3ccc4c(c3)CCCO4)CC2)c1 ZINC001178835676 1035450684 /nfs/dbraw/zinc/45/06/84/1035450684.db2.gz NMQGCLLLRMBISQ-UHFFFAOYSA-N 1 0 323.436 3.842 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000773811416 1035472837 /nfs/dbraw/zinc/47/28/37/1035472837.db2.gz MJBHWRSHZNNVGJ-AWEZNQCLSA-N 1 0 313.401 3.902 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000773822791 1035494283 /nfs/dbraw/zinc/49/42/83/1035494283.db2.gz SUMNJKZVHBLBQT-UHFFFAOYSA-N 1 0 309.457 3.917 20 10 DHCDRO Cc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC001179749970 1035499005 /nfs/dbraw/zinc/49/90/05/1035499005.db2.gz ADWDJYICSGQZMR-GOSISDBHSA-N 1 0 317.502 3.515 20 10 DHCDRO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001179758178 1035501750 /nfs/dbraw/zinc/50/17/50/1035501750.db2.gz CNSRPAWUXFMUEA-GOSISDBHSA-N 1 0 313.828 3.922 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(O)c1 ZINC001180524518 1035697497 /nfs/dbraw/zinc/69/74/97/1035697497.db2.gz YHFRYIXDJCMTEP-KRWDZBQOSA-N 1 0 311.425 3.916 20 10 DHCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001181526225 1035935513 /nfs/dbraw/zinc/93/55/13/1035935513.db2.gz VKYNBMIHMBVCCT-KBPBESRZSA-N 1 0 309.837 3.684 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC000775653232 1036241849 /nfs/dbraw/zinc/24/18/49/1036241849.db2.gz ANZBQHURGMAVSP-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775652740 1036242145 /nfs/dbraw/zinc/24/21/45/1036242145.db2.gz QFXGBCYXZBJSMX-UHFFFAOYSA-N 1 0 324.896 3.990 20 10 DHCDRO Cc1cccc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000775659301 1036263859 /nfs/dbraw/zinc/26/38/59/1036263859.db2.gz VHYPLTLUUOWFGU-SOLBZPMBSA-N 1 0 302.462 3.538 20 10 DHCDRO Cc1cccc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1O ZINC000775659300 1036264875 /nfs/dbraw/zinc/26/48/75/1036264875.db2.gz VHYPLTLUUOWFGU-NUJGCVRESA-N 1 0 302.462 3.538 20 10 DHCDRO CCCC[C@@H](COC)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC001182424072 1036274557 /nfs/dbraw/zinc/27/45/57/1036274557.db2.gz NOMHOMPZKAIFQI-AEFFLSMTSA-N 1 0 306.494 3.787 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000775693347 1036469593 /nfs/dbraw/zinc/46/95/93/1036469593.db2.gz ZRBUCTGAJMLUCI-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1ccc(O)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000775702629 1036483119 /nfs/dbraw/zinc/48/31/19/1036483119.db2.gz UDWYPMKXUYSURP-UHFFFAOYSA-N 1 0 315.388 3.952 20 10 DHCDRO Cc1cc(Cl)cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000775726713 1036576881 /nfs/dbraw/zinc/57/68/81/1036576881.db2.gz XPGHGLCLBVPHRN-OAHLLOKOSA-N 1 0 322.880 3.518 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774639911 1036605279 /nfs/dbraw/zinc/60/52/79/1036605279.db2.gz MVHAIQUASZYYNK-GOSISDBHSA-N 1 0 319.832 3.991 20 10 DHCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C)(OC)CC3)c2c1 ZINC000774646144 1036619859 /nfs/dbraw/zinc/61/98/59/1036619859.db2.gz OHJREPJOHITQAM-UHFFFAOYSA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@H]1CCOCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000774650721 1036630241 /nfs/dbraw/zinc/63/02/41/1036630241.db2.gz ROBOOJXTIYGECP-ZDUSSCGKSA-N 1 0 311.381 3.902 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC001183708064 1036655369 /nfs/dbraw/zinc/65/53/69/1036655369.db2.gz CROKDGFJYORZLL-ZIAGYGMSSA-N 1 0 317.351 3.544 20 10 DHCDRO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C)cc3O)co2)cc1 ZINC001183754780 1036670001 /nfs/dbraw/zinc/67/00/01/1036670001.db2.gz KYJWDGOYLKXGFY-UHFFFAOYSA-N 1 0 308.381 3.954 20 10 DHCDRO [O-]c1c(Br)cccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000698071501 1036683269 /nfs/dbraw/zinc/68/32/69/1036683269.db2.gz ADZRRBQVVNIBDF-UHFFFAOYSA-N 1 0 316.582 3.691 20 10 DHCDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775764963 1036722038 /nfs/dbraw/zinc/72/20/38/1036722038.db2.gz MHFSQBBFRWMFTB-MRXNPFEDSA-N 1 0 317.433 3.815 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)c(O)c1OC ZINC001184351516 1036822884 /nfs/dbraw/zinc/82/28/84/1036822884.db2.gz QFYLGRLDJDSZJK-HNNXBMFYSA-N 1 0 319.445 3.812 20 10 DHCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833824 1036989174 /nfs/dbraw/zinc/98/91/74/1036989174.db2.gz MVYGMWVDJUXYTH-STQMWFEESA-N 1 0 316.401 3.544 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775837026 1036993579 /nfs/dbraw/zinc/99/35/79/1036993579.db2.gz QMTAHPFSIBLXRC-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000237236009 1036998895 /nfs/dbraw/zinc/99/88/95/1036998895.db2.gz YCNWCRVQNZIOIC-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO Oc1ccccc1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000238096340 1037039428 /nfs/dbraw/zinc/03/94/28/1037039428.db2.gz MREYTZTYIVIFND-UHFFFAOYSA-N 1 0 302.462 3.671 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000775915561 1037152207 /nfs/dbraw/zinc/15/22/07/1037152207.db2.gz BTSCJZCSIYHRHU-NSHDSACASA-N 1 0 324.218 3.777 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000915825956 1037242163 /nfs/dbraw/zinc/24/21/63/1037242163.db2.gz KOBNJBMQHYFEPK-UHFFFAOYSA-N 1 0 314.429 3.725 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001203934139 1037252959 /nfs/dbraw/zinc/25/29/59/1037252959.db2.gz OBXULMPVRBOJRA-FQEVSTJZSA-N 1 0 310.441 3.544 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC001199412077 1037259771 /nfs/dbraw/zinc/25/97/71/1037259771.db2.gz FWMNALJVJLOBIM-ARJAWSKDSA-N 1 0 301.821 3.604 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000776015581 1037310145 /nfs/dbraw/zinc/31/01/45/1037310145.db2.gz WIQNNVIFMUJHHC-OAQYLSRUSA-N 1 0 322.452 3.774 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1 ZINC000776100987 1037431738 /nfs/dbraw/zinc/43/17/38/1037431738.db2.gz NJLCUYCPBWGLJK-UHFFFAOYSA-N 1 0 315.413 3.868 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1O ZINC000156075166 1037456081 /nfs/dbraw/zinc/45/60/81/1037456081.db2.gz RERXDGCSHWSCDT-RDTXWAMCSA-N 1 0 315.413 3.909 20 10 DHCDRO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC001203663747 1037650982 /nfs/dbraw/zinc/65/09/82/1037650982.db2.gz GCKXWUNUJHLZPB-UHFFFAOYSA-N 1 0 303.789 3.750 20 10 DHCDRO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccccc3O)on2)cc1 ZINC000775130454 1037656186 /nfs/dbraw/zinc/65/61/86/1037656186.db2.gz LEIJZHQVANPEHF-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(Cl)c1 ZINC000775130017 1037666863 /nfs/dbraw/zinc/66/68/63/1037666863.db2.gz KLZJTBPTCFSJOG-LBPRGKRZSA-N 1 0 318.804 3.643 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000776173715 1037678107 /nfs/dbraw/zinc/67/81/07/1037678107.db2.gz HFJUINDSEJSMFM-UHFFFAOYSA-N 1 0 320.776 3.595 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC000775135061 1037685184 /nfs/dbraw/zinc/68/51/84/1037685184.db2.gz CUFLTZZDCDTTIY-CYBMUJFWSA-N 1 0 300.402 3.815 20 10 DHCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775137805 1037692602 /nfs/dbraw/zinc/69/26/02/1037692602.db2.gz QJKUZVRGZYIFNM-MRVPVSSYSA-N 1 0 311.706 3.959 20 10 DHCDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151061027 1037708534 /nfs/dbraw/zinc/70/85/34/1037708534.db2.gz WCMUUENKXFKRCC-QGZVFWFLSA-N 1 0 302.462 3.748 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000763399078 1037815853 /nfs/dbraw/zinc/81/58/53/1037815853.db2.gz RREQMDIXXBQUKA-DNVCBOLYSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000151285854 1037818523 /nfs/dbraw/zinc/81/85/23/1037818523.db2.gz OLMOXBMGSYJNOO-LJQANCHMSA-N 1 0 303.446 3.611 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1O ZINC000776218740 1037910340 /nfs/dbraw/zinc/91/03/40/1037910340.db2.gz BHKPHVFZUHGBJZ-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1O ZINC000776219925 1037923445 /nfs/dbraw/zinc/92/34/45/1037923445.db2.gz QSGQKDMFKLBEDW-GOSISDBHSA-N 1 0 321.424 3.508 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccccc1O ZINC000156348924 1038046046 /nfs/dbraw/zinc/04/60/46/1038046046.db2.gz GITHLZMTBPBJGQ-SUMDDJOVSA-N 1 0 313.441 3.988 20 10 DHCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCSCC(F)(F)F ZINC000776252017 1038068379 /nfs/dbraw/zinc/06/83/79/1038068379.db2.gz IZGQWGLKXFQYCQ-UHFFFAOYSA-N 1 0 317.735 3.570 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000776259080 1038100801 /nfs/dbraw/zinc/10/08/01/1038100801.db2.gz ZXKPKEAGPUCGLP-CYBMUJFWSA-N 1 0 311.853 3.632 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000164274944 1038111063 /nfs/dbraw/zinc/11/10/63/1038111063.db2.gz OEQPGXFIFHVNNF-SFHVURJKSA-N 1 0 315.388 3.722 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001190447081 1038320656 /nfs/dbraw/zinc/32/06/56/1038320656.db2.gz RJPCULLUTHFAMG-XLIONFOSSA-N 1 0 314.473 3.644 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775396283 1038342435 /nfs/dbraw/zinc/34/24/35/1038342435.db2.gz VJEYYJVRQROGNA-IKGGRYGDSA-N 1 0 322.543 3.530 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775410914 1038381572 /nfs/dbraw/zinc/38/15/72/1038381572.db2.gz CHINDTWAHYUWTM-NVXWUHKLSA-N 1 0 305.805 3.820 20 10 DHCDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N2CCCCCC2)cc1 ZINC000775420782 1038402961 /nfs/dbraw/zinc/40/29/61/1038402961.db2.gz ZCWIMIOMXLBYNP-KRWDZBQOSA-N 1 0 324.472 3.750 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1O ZINC000775487602 1038556380 /nfs/dbraw/zinc/55/63/80/1038556380.db2.gz LJWPFDPZYWEJJK-ZWKOTPCHSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775498057 1038581406 /nfs/dbraw/zinc/58/14/06/1038581406.db2.gz WSMVOOCABLVEHT-NSHDSACASA-N 1 0 311.731 3.665 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1O ZINC000775498201 1038581778 /nfs/dbraw/zinc/58/17/78/1038581778.db2.gz INFPVMLRJYOXEY-ZUZCIYMTSA-N 1 0 307.825 3.889 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775506773 1038598431 /nfs/dbraw/zinc/59/84/31/1038598431.db2.gz DFXJWVWTYSFIRQ-WMZOPIPTSA-N 1 0 319.832 3.994 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775507987 1038600107 /nfs/dbraw/zinc/60/01/07/1038600107.db2.gz QRSOAODLOFPIOV-HZPDHXFCSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1O ZINC000775513866 1038607371 /nfs/dbraw/zinc/60/73/71/1038607371.db2.gz VJLHLNOWLZVHHJ-XFBWCDHKSA-N 1 0 308.853 3.569 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775514248 1038608637 /nfs/dbraw/zinc/60/86/37/1038608637.db2.gz STNKKCVBHQQZQS-WBMJQRKESA-N 1 0 323.820 3.531 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775523009 1038630254 /nfs/dbraw/zinc/63/02/54/1038630254.db2.gz DBQRYBAHAHSNBL-JKSUJKDBSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1O ZINC000775526199 1038644399 /nfs/dbraw/zinc/64/43/99/1038644399.db2.gz OTMHKLFKBBPQGP-XRGAULLZSA-N 1 0 309.500 3.813 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000775539258 1038681276 /nfs/dbraw/zinc/68/12/76/1038681276.db2.gz DKTODSMWZCOUBK-HLCARVAJSA-N 1 0 319.445 3.755 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000775555221 1038712660 /nfs/dbraw/zinc/71/26/60/1038712660.db2.gz UHSULFRQAZBIMO-ZIAGYGMSSA-N 1 0 311.834 3.881 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)cc1Cl ZINC001232263779 1039009831 /nfs/dbraw/zinc/00/98/31/1039009831.db2.gz AAPONBZYLQKKOG-HNNXBMFYSA-N 1 0 301.789 3.768 20 10 DHCDRO COc1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000229933004 1039555358 /nfs/dbraw/zinc/55/53/58/1039555358.db2.gz OZRBMSHCYHTELQ-YVMONPNESA-N 1 0 308.425 3.531 20 10 DHCDRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000157824067 1039601834 /nfs/dbraw/zinc/60/18/34/1039601834.db2.gz HTNCZTGPCOVZOT-HNNXBMFYSA-N 1 0 316.470 3.778 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000230148089 1039721511 /nfs/dbraw/zinc/72/15/11/1039721511.db2.gz HOJDMIQWOJXCDK-GFCCVEGCSA-N 1 0 316.264 3.530 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158094442 1039942398 /nfs/dbraw/zinc/94/23/98/1039942398.db2.gz BXVWGSBEIQNPFN-HOTGVXAUSA-N 1 0 318.436 3.669 20 10 DHCDRO CC(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063256018 1040169244 /nfs/dbraw/zinc/16/92/44/1040169244.db2.gz ZITZKTBAHQJAGP-INIZCTEOSA-N 1 0 313.397 3.998 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000227713130 1040368690 /nfs/dbraw/zinc/36/86/90/1040368690.db2.gz BVXKRQHVKPKFAD-UONOGXRCSA-N 1 0 322.449 3.655 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000174321384 1040614741 /nfs/dbraw/zinc/61/47/41/1040614741.db2.gz YFFZJXQWSLPKAI-KRWDZBQOSA-N 1 0 316.445 3.775 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172780 1040700963 /nfs/dbraw/zinc/70/09/63/1040700963.db2.gz BOZPLQMWOGUUFR-BXUZGUMPSA-N 1 0 310.235 3.919 20 10 DHCDRO CCC[N@H+](Cc1c(C)nn(CC)c1C)Cc1ccccc1O ZINC000092704990 185334293 /nfs/dbraw/zinc/33/42/93/185334293.db2.gz MYOIJOLURXFFNV-UHFFFAOYSA-N 1 0 301.434 3.638 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1cccc(O)c1 ZINC000091975176 193135028 /nfs/dbraw/zinc/13/50/28/193135028.db2.gz YNJMLFRGEDNBFP-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)CC1 ZINC000093317108 193230275 /nfs/dbraw/zinc/23/02/75/193230275.db2.gz GJTXSHMVFQLNHP-INIZCTEOSA-N 1 0 307.434 3.572 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c(O)c1 ZINC000105461256 194104415 /nfs/dbraw/zinc/10/44/15/194104415.db2.gz DQLXBEUBDCQGFP-CYBMUJFWSA-N 1 0 301.386 3.737 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c(OC)c1 ZINC000273380869 130114808 /nfs/dbraw/zinc/11/48/08/130114808.db2.gz IFYNOPSSPNUNRC-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000273496212 130129230 /nfs/dbraw/zinc/12/92/30/130129230.db2.gz PFCAJDCJARFCSW-YEZLUTFDSA-N 1 0 321.417 3.681 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1O ZINC000273511699 130130712 /nfs/dbraw/zinc/13/07/12/130130712.db2.gz RVNQIPWLFGDRHH-LBPRGKRZSA-N 1 0 304.821 3.962 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000273543114 130135093 /nfs/dbraw/zinc/13/50/93/130135093.db2.gz YXDIGUBCJOJLNF-GHMZBOCLSA-N 1 0 304.321 3.851 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccccc1O ZINC000274760433 130259679 /nfs/dbraw/zinc/25/96/79/130259679.db2.gz JXOMKQVGSHXOMZ-IRXDYDNUSA-N 1 0 313.397 3.965 20 10 DHCDRO OC[C@H]1C=C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000274933713 130275185 /nfs/dbraw/zinc/27/51/85/130275185.db2.gz LLLOGIGXXXZUIE-NSHGMRRFSA-N 1 0 323.436 3.593 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000284215487 131060375 /nfs/dbraw/zinc/06/03/75/131060375.db2.gz CMJOHGZAILRORR-OCCSQVGLSA-N 1 0 300.229 3.716 20 10 DHCDRO Cc1noc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccccc32)n1 ZINC000285206624 131147295 /nfs/dbraw/zinc/14/72/95/131147295.db2.gz SZDXLKGQHYWXIF-MRXNPFEDSA-N 1 0 309.369 3.574 20 10 DHCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289332802 131375536 /nfs/dbraw/zinc/37/55/36/131375536.db2.gz VCCZSLIIDIMDBN-OAHLLOKOSA-N 1 0 322.468 3.559 20 10 DHCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289332800 131375568 /nfs/dbraw/zinc/37/55/68/131375568.db2.gz VCCZSLIIDIMDBN-HNNXBMFYSA-N 1 0 322.468 3.559 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289860128 131426510 /nfs/dbraw/zinc/42/65/10/131426510.db2.gz QXQWQNJWUQWFNK-YVEFUNNKSA-N 1 0 303.427 3.592 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473597 132017699 /nfs/dbraw/zinc/01/76/99/132017699.db2.gz YSRMJSHMOTYEFG-RHSMWYFYSA-N 1 0 319.408 3.916 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000297962704 132042300 /nfs/dbraw/zinc/04/23/00/132042300.db2.gz ZIMWULSENYMMCU-QGZVFWFLSA-N 1 0 309.409 3.958 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000128933696 332015820 /nfs/dbraw/zinc/01/58/20/332015820.db2.gz ICLBLODCFWGAMS-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO Brc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000048820234 332305602 /nfs/dbraw/zinc/30/56/02/332305602.db2.gz OBRGWQBNOYZJHI-UHFFFAOYSA-N 1 0 318.214 3.674 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(F)ccc1O ZINC000176981182 332966724 /nfs/dbraw/zinc/96/67/24/332966724.db2.gz AFUDNAHMVWUAAY-XJKSGUPXSA-N 1 0 318.392 3.612 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(C3CC3)ccc2F)c1O ZINC000295179738 335130634 /nfs/dbraw/zinc/13/06/34/335130634.db2.gz VMERFGBZQVRCSZ-UHFFFAOYSA-N 1 0 301.361 3.707 20 10 DHCDRO CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccccc1O ZINC000120653067 333304733 /nfs/dbraw/zinc/30/47/33/333304733.db2.gz BDIMLQKTWYLHEC-MRXNPFEDSA-N 1 0 309.413 3.791 20 10 DHCDRO CCOC(CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)OCC ZINC000276507713 334080309 /nfs/dbraw/zinc/08/03/09/334080309.db2.gz KFTRVACOLQHJKY-AWEZNQCLSA-N 1 0 317.429 3.985 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292804188 334192632 /nfs/dbraw/zinc/19/26/32/334192632.db2.gz RQHZKXRZDLZMDH-FQEVSTJZSA-N 1 0 324.468 3.746 20 10 DHCDRO COc1ccncc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000294402946 334209307 /nfs/dbraw/zinc/20/93/07/334209307.db2.gz SOVHTYGIQWRVIB-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000370222026 336880000 /nfs/dbraw/zinc/88/00/00/336880000.db2.gz KDAYJMOXOUZXQT-GOEBONIOSA-N 1 0 319.445 3.600 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000370222023 336880024 /nfs/dbraw/zinc/88/00/24/336880024.db2.gz KDAYJMOXOUZXQT-GDBMZVCRSA-N 1 0 319.445 3.600 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000374574028 336992598 /nfs/dbraw/zinc/99/25/98/336992598.db2.gz FIAMBROGQYWPHV-LIRZEXBASA-N 1 0 302.462 3.607 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375108450 337003545 /nfs/dbraw/zinc/00/35/45/337003545.db2.gz UHQBFJLMRICNAT-JVPBZIDWSA-N 1 0 302.462 3.608 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000376310029 337031077 /nfs/dbraw/zinc/03/10/77/337031077.db2.gz XIIWMVZCOINEGF-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000377242752 337049243 /nfs/dbraw/zinc/04/92/43/337049243.db2.gz HYFGIMREKJCIPK-UHFFFAOYSA-N 1 0 314.473 3.679 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377641557 337057184 /nfs/dbraw/zinc/05/71/84/337057184.db2.gz AVBUBJAKGIZWHX-FZMZJTMJSA-N 1 0 304.415 3.755 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1O ZINC000378094889 337066369 /nfs/dbraw/zinc/06/63/69/337066369.db2.gz PDZHAUBPPUGWJL-AWEZNQCLSA-N 1 0 319.788 3.668 20 10 DHCDRO CCn1nccc1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000378268940 337069187 /nfs/dbraw/zinc/06/91/87/337069187.db2.gz XJGMXTICRNYGEB-UHFFFAOYSA-N 1 0 319.836 3.642 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1O ZINC000360001967 337083582 /nfs/dbraw/zinc/08/35/82/337083582.db2.gz XCPHFAYWTZFIAX-CQSZACIVSA-N 1 0 307.397 3.644 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125220 337203151 /nfs/dbraw/zinc/20/31/51/337203151.db2.gz KRBIOMVZHDVCLR-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc2ccccc2c1O ZINC000185466173 337205470 /nfs/dbraw/zinc/20/54/70/337205470.db2.gz MZAUMMKSDFRHRV-LPLGYCIKSA-N 1 0 319.404 3.854 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3sccc3C)CC2)cc1 ZINC000237263099 337468514 /nfs/dbraw/zinc/46/85/14/337468514.db2.gz FJGWKDYFISFDLQ-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000248948871 337568883 /nfs/dbraw/zinc/56/88/83/337568883.db2.gz ZPUQMEWBMFHFMB-WSXQUGQNSA-N 1 0 315.457 3.879 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c(O)c1 ZINC000527952703 337774108 /nfs/dbraw/zinc/77/41/08/337774108.db2.gz VFMYTIWHYIDBFC-RDJZCZTQSA-N 1 0 302.462 3.758 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2cccc(C)c2O)cc1F ZINC000529654516 340766937 /nfs/dbraw/zinc/76/69/37/340766937.db2.gz WLXHYVJFGUZUJJ-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000265240748 522205885 /nfs/dbraw/zinc/20/58/85/522205885.db2.gz LKHDDQIXWHRUDJ-UHFFFAOYSA-N 1 0 301.459 3.768 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)c1cnn(C)c1 ZINC000158695228 522648303 /nfs/dbraw/zinc/64/83/03/522648303.db2.gz KVNXLSMEELWBRA-KRWDZBQOSA-N 1 0 318.440 3.646 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccccc1O ZINC000364365930 522722730 /nfs/dbraw/zinc/72/27/30/522722730.db2.gz UBFLXWNUMFENHF-DLBZAZTESA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cc(O)c(C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1OC ZINC000179849993 522772970 /nfs/dbraw/zinc/77/29/70/522772970.db2.gz LJGLAHKQHPSEBQ-GFCCVEGCSA-N 1 0 317.385 3.728 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1O ZINC000156207256 522886313 /nfs/dbraw/zinc/88/63/13/522886313.db2.gz KVOGKTFGCHKNBJ-CQSZACIVSA-N 1 0 323.234 3.734 20 10 DHCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156389360 523155747 /nfs/dbraw/zinc/15/57/47/523155747.db2.gz QJKRWEJDFVNQER-IPELMVKDSA-N 1 0 311.425 3.791 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)c1 ZINC000185661039 524772055 /nfs/dbraw/zinc/77/20/55/524772055.db2.gz BWOFTOUBBCHHRD-KBXCAEBGSA-N 1 0 314.429 3.886 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000192785165 525363508 /nfs/dbraw/zinc/36/35/08/525363508.db2.gz WJBJYXLXJNNDCU-UONOGXRCSA-N 1 0 313.397 3.884 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000189314746 525397321 /nfs/dbraw/zinc/39/73/21/525397321.db2.gz OSXFOTUCPDHLBJ-UXLLHSPISA-N 1 0 320.452 3.628 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212364 525749526 /nfs/dbraw/zinc/74/95/26/525749526.db2.gz NAIQTOMNGVFCIQ-YGRLFVJLSA-N 1 0 305.324 3.763 20 10 DHCDRO COc1cccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1O ZINC000237374161 526017195 /nfs/dbraw/zinc/01/71/95/526017195.db2.gz RCNWPEHKJLIRSK-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000299659958 535998513 /nfs/dbraw/zinc/99/85/13/535998513.db2.gz MYDKPBZQNDXHHP-UHFFFAOYSA-N 1 0 323.440 3.601 20 10 DHCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](CC)c2ccccc2O)[nH]1 ZINC000277097114 536027573 /nfs/dbraw/zinc/02/75/73/536027573.db2.gz GULJBDKSKXWBRT-OBJOEFQTSA-N 1 0 302.422 3.826 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1F ZINC000041069157 1013079249 /nfs/dbraw/zinc/07/92/49/1013079249.db2.gz XUHFGVNKJGRHTB-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000154915922 1013084392 /nfs/dbraw/zinc/08/43/92/1013084392.db2.gz ZIMLTHLOCFBOOX-KSSFIOAISA-N 1 0 322.412 3.775 20 10 DHCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237141491 1013184337 /nfs/dbraw/zinc/18/43/37/1013184337.db2.gz NBHOGGYXCVIMHJ-UHFFFAOYSA-N 1 0 311.425 3.741 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000246959894 1013249579 /nfs/dbraw/zinc/24/95/79/1013249579.db2.gz HUEKIXZQEXOKCD-OKYOBFRVSA-N 1 0 302.462 3.751 20 10 DHCDRO COCCCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000894502862 1013394238 /nfs/dbraw/zinc/39/42/38/1013394238.db2.gz WRDMFKCQIDJSKF-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC3(C2)CCCCC3)cc1OC ZINC000160295362 1013564410 /nfs/dbraw/zinc/56/44/10/1013564410.db2.gz RUFLBQHPKDGMOH-UHFFFAOYSA-N 1 0 305.418 3.566 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000894887586 1013625924 /nfs/dbraw/zinc/62/59/24/1013625924.db2.gz GNSYEHCUMXPHCN-WCQYABFASA-N 1 0 317.351 3.872 20 10 DHCDRO c1csc(SCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000925101757 1013754080 /nfs/dbraw/zinc/75/40/80/1013754080.db2.gz JBMIDJVVAGPREU-YOGCLGLASA-N 1 0 300.518 3.642 20 10 DHCDRO CN(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000237162766 1013790833 /nfs/dbraw/zinc/79/08/33/1013790833.db2.gz PXLFNXSUKLERMG-UHFFFAOYSA-N 1 0 315.505 3.641 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000846860173 1032096211 /nfs/dbraw/zinc/09/62/11/1032096211.db2.gz HCVXHBQJJDYOIQ-NSHDSACASA-N 1 0 307.800 3.791 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156961850 1014649125 /nfs/dbraw/zinc/64/91/25/1014649125.db2.gz BUJVLWLFLSFGLA-WMZOPIPTSA-N 1 0 318.486 3.763 20 10 DHCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000276141525 1014715847 /nfs/dbraw/zinc/71/58/47/1014715847.db2.gz NMAAIOGYIREYSN-GARJFASQSA-N 1 0 316.239 3.537 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000276222935 1014891564 /nfs/dbraw/zinc/89/15/64/1014891564.db2.gz QUAPOTMEYPTUSZ-AWEZNQCLSA-N 1 0 307.752 3.798 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cccn2C)c(C)n1-c1ccccc1 ZINC000738427152 1015010675 /nfs/dbraw/zinc/01/06/75/1015010675.db2.gz PJDWYYIADAPTFL-UHFFFAOYSA-N 1 0 307.441 3.765 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000895393286 1015129403 /nfs/dbraw/zinc/12/94/03/1015129403.db2.gz ZENFLDZKOPUCER-GOSISDBHSA-N 1 0 312.413 3.735 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000895393287 1015129952 /nfs/dbraw/zinc/12/99/52/1015129952.db2.gz ZENFLDZKOPUCER-SFHVURJKSA-N 1 0 312.413 3.735 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000895639886 1015239473 /nfs/dbraw/zinc/23/94/73/1015239473.db2.gz MWCPPEYTZZKHIT-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000895821911 1015317138 /nfs/dbraw/zinc/31/71/38/1015317138.db2.gz LNWDZORSNFZFKD-GOSISDBHSA-N 1 0 319.445 3.538 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2)c(O)c1OC ZINC000891504723 1015334506 /nfs/dbraw/zinc/33/45/06/1015334506.db2.gz YNJJKZKUFZTWJM-CYBMUJFWSA-N 1 0 301.386 3.602 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)c1OC ZINC000891541569 1015366928 /nfs/dbraw/zinc/36/69/28/1015366928.db2.gz BQJRQLXTDZKYFB-INIZCTEOSA-N 1 0 313.397 3.747 20 10 DHCDRO CC(C)N(Cc1nccn1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891632485 1015468270 /nfs/dbraw/zinc/46/82/70/1015468270.db2.gz XWICRRRGEUQWJU-UHFFFAOYSA-N 1 0 312.461 3.695 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000835055111 1015730593 /nfs/dbraw/zinc/73/05/93/1015730593.db2.gz RGYOMCFZLYMPSS-XVWMLYKFSA-N 1 0 313.272 3.939 20 10 DHCDRO CCOCc1cc(C[NH2+]CCC2CC(F)(F)C2)ccc1OC ZINC000835060837 1015738415 /nfs/dbraw/zinc/73/84/15/1015738415.db2.gz OHCQIEOSVRHPSH-UHFFFAOYSA-N 1 0 313.388 3.757 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000280888157 1015805996 /nfs/dbraw/zinc/80/59/96/1015805996.db2.gz FLBNMMHQPMWANC-VIFPVBQESA-N 1 0 320.177 3.680 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1F ZINC000280969113 1015812561 /nfs/dbraw/zinc/81/25/61/1015812561.db2.gz VIKPSKMGYMMXSG-IBGZPJMESA-N 1 0 313.420 3.918 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000277394789 1016273847 /nfs/dbraw/zinc/27/38/47/1016273847.db2.gz HGKRIIDVSHQYPT-UHFFFAOYSA-N 1 0 302.443 3.845 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281199217 1016396034 /nfs/dbraw/zinc/39/60/34/1016396034.db2.gz RVLQJULTVODPOW-MNOVXSKESA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000184962468 1016474450 /nfs/dbraw/zinc/47/44/50/1016474450.db2.gz ZIWYVWLAYMHPMO-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000184998668 1016489944 /nfs/dbraw/zinc/48/99/44/1016489944.db2.gz YRARBMVJBWRLHP-IRXDYDNUSA-N 1 0 310.441 3.878 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2ccccc2c1O ZINC000185015590 1016506149 /nfs/dbraw/zinc/50/61/49/1016506149.db2.gz GXIAZISDKFBYHP-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1O ZINC000896893266 1016572993 /nfs/dbraw/zinc/57/29/93/1016572993.db2.gz WRWFOKBHADGSNQ-HZPDHXFCSA-N 1 0 303.352 3.839 20 10 DHCDRO CSCCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000185162919 1016674084 /nfs/dbraw/zinc/67/40/84/1016674084.db2.gz PVOJZBRYQLPUCU-UHFFFAOYSA-N 1 0 318.280 3.778 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1F ZINC000185333165 1016863084 /nfs/dbraw/zinc/86/30/84/1016863084.db2.gz BITFUAMLFWSLSA-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCSc2nccs2)c(O)c1 ZINC000185490028 1016946078 /nfs/dbraw/zinc/94/60/78/1016946078.db2.gz WVMRPQZWMSTFTO-GFCCVEGCSA-N 1 0 308.472 3.990 20 10 DHCDRO C[C@H](Cc1ccccc1F)[NH2+]CCCSc1nccs1 ZINC000188036343 1016963612 /nfs/dbraw/zinc/96/36/12/1016963612.db2.gz UNQCENBBNCQMGJ-GFCCVEGCSA-N 1 0 310.463 3.985 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000733327567 1016982511 /nfs/dbraw/zinc/98/25/11/1016982511.db2.gz FWDQQQSVJVZWRV-IBGZPJMESA-N 1 0 304.478 3.829 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c(O)c1 ZINC000185576373 1017019272 /nfs/dbraw/zinc/01/92/72/1017019272.db2.gz LEDFLZQZNJYCDH-KBPBESRZSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185580471 1017027895 /nfs/dbraw/zinc/02/78/95/1017027895.db2.gz WMVXXNQKYTXGLQ-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000192742951 1017053354 /nfs/dbraw/zinc/05/33/54/1017053354.db2.gz HCDUWTBNNMOMQQ-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000846975934 1032175309 /nfs/dbraw/zinc/17/53/09/1032175309.db2.gz SJIYDBQHKVAGJW-GOSISDBHSA-N 1 0 309.457 3.754 20 10 DHCDRO CCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000847025049 1032182140 /nfs/dbraw/zinc/18/21/40/1032182140.db2.gz HEUMBJRVTVRGGB-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000192916799 1017229446 /nfs/dbraw/zinc/22/94/46/1017229446.db2.gz SMFBEPYVSHJOBD-NVXWUHKLSA-N 1 0 314.429 3.781 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000192916808 1017229787 /nfs/dbraw/zinc/22/97/87/1017229787.db2.gz SMFBEPYVSHJOBD-DOTOQJQBSA-N 1 0 314.429 3.781 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000294960549 1032224625 /nfs/dbraw/zinc/22/46/25/1032224625.db2.gz KXTYABFLRMSRRS-CVEARBPZSA-N 1 0 302.462 3.532 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772976544 1032237694 /nfs/dbraw/zinc/23/76/94/1032237694.db2.gz LZCJOAIUMXROKW-KGLIPLIRSA-N 1 0 322.880 3.873 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c1 ZINC000185647319 1017079206 /nfs/dbraw/zinc/07/92/06/1017079206.db2.gz KFJNDRKPUSBQPS-HNNXBMFYSA-N 1 0 316.420 3.622 20 10 DHCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccccc1O)CC2 ZINC001171295166 1032271072 /nfs/dbraw/zinc/27/10/72/1032271072.db2.gz UUFSIXVDJSOJFU-ZDUSSCGKSA-N 1 0 317.816 3.701 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)ccc1N(C)C ZINC000772996722 1032451016 /nfs/dbraw/zinc/45/10/16/1032451016.db2.gz GTBZXUUCTNBENM-HNNXBMFYSA-N 1 0 300.450 3.689 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000840882505 1017307007 /nfs/dbraw/zinc/30/70/07/1017307007.db2.gz WDFOYXULVKPRJT-DGCLKSJQSA-N 1 0 323.795 3.611 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171349223 1032509300 /nfs/dbraw/zinc/50/93/00/1032509300.db2.gz GRIDVZARHXOMQZ-MRXNPFEDSA-N 1 0 316.395 3.678 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773011980 1032526124 /nfs/dbraw/zinc/52/61/24/1032526124.db2.gz BSMATPHUYLUWOV-OAHLLOKOSA-N 1 0 312.461 3.949 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773030298 1032533796 /nfs/dbraw/zinc/53/37/96/1032533796.db2.gz MZGIJDQNBGZXMW-DZGCQCFKSA-N 1 0 308.466 3.972 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773038830 1032535228 /nfs/dbraw/zinc/53/52/28/1032535228.db2.gz HMFMBDFNJIQUBJ-MOPGFXCFSA-N 1 0 304.478 3.735 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000093453561 1032538206 /nfs/dbraw/zinc/53/82/06/1032538206.db2.gz CRTVXAQWEWWDJT-GOSISDBHSA-N 1 0 312.413 3.831 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(N(C)C)cc1 ZINC000773045977 1032539917 /nfs/dbraw/zinc/53/99/17/1032539917.db2.gz KMYIYGCKUKNLDO-IRXDYDNUSA-N 1 0 318.486 3.897 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000773048207 1032540262 /nfs/dbraw/zinc/54/02/62/1032540262.db2.gz WGYSCHUZWLRRPO-KXBFYZLASA-N 1 0 304.478 3.735 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cnc(C)s2)cc1 ZINC000773073736 1032549029 /nfs/dbraw/zinc/54/90/29/1032549029.db2.gz FEJMSWAMIKGJFC-CYBMUJFWSA-N 1 0 303.475 3.801 20 10 DHCDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000773080936 1032552526 /nfs/dbraw/zinc/55/25/26/1032552526.db2.gz OAHHYKOVYSCSQO-VDZJLULYSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773104566 1032559559 /nfs/dbraw/zinc/55/95/59/1032559559.db2.gz UKIPIRHQYFTJIC-XIRDDKMYSA-N 1 0 320.452 3.770 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)cc1 ZINC000773118353 1032564461 /nfs/dbraw/zinc/56/44/61/1032564461.db2.gz OEBHQYMBKASRMB-UHFFFAOYSA-N 1 0 324.415 3.832 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773145014 1032575471 /nfs/dbraw/zinc/57/54/71/1032575471.db2.gz HIRHGSHGOBBEHT-ZBFHGGJFSA-N 1 0 320.452 3.892 20 10 DHCDRO C[NH+](C)Cc1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001171401945 1032586964 /nfs/dbraw/zinc/58/69/64/1032586964.db2.gz CQFIHECXLQSPQL-UHFFFAOYSA-N 1 0 307.397 3.614 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171402819 1032588134 /nfs/dbraw/zinc/58/81/34/1032588134.db2.gz SMMGJRKFCRONDK-UHFFFAOYSA-N 1 0 307.397 3.614 20 10 DHCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3c(C)c4ccccc4n3C)C[C@H]2C1 ZINC000424360393 1011999919 /nfs/dbraw/zinc/99/99/19/1011999919.db2.gz ZMYRLQSLYRIVIG-GANOOXTDSA-N 1 0 312.457 3.780 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205983211 1032635530 /nfs/dbraw/zinc/63/55/30/1032635530.db2.gz OJHLLEVWQDZKBR-GHMZBOCLSA-N 1 0 317.260 3.506 20 10 DHCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000776955921 1032663961 /nfs/dbraw/zinc/66/39/61/1032663961.db2.gz YIMOTPCKUVPLGM-HZPDHXFCSA-N 1 0 308.441 3.575 20 10 DHCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000192854300 1017122896 /nfs/dbraw/zinc/12/28/96/1017122896.db2.gz WQLZIKDSAHWXMR-STQMWFEESA-N 1 0 309.413 3.999 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000185714809 1017124723 /nfs/dbraw/zinc/12/47/23/1017124723.db2.gz MQUKOBUVYCKERX-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840848196 1017183769 /nfs/dbraw/zinc/18/37/69/1017183769.db2.gz SFCFAZBUCQBAJT-QMIHWGKISA-N 1 0 311.425 3.972 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000067506118 1017191193 /nfs/dbraw/zinc/19/11/93/1017191193.db2.gz PEFVZSNSPSLJQL-GOSISDBHSA-N 1 0 315.461 3.518 20 10 DHCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000897299340 1017342108 /nfs/dbraw/zinc/34/21/08/1017342108.db2.gz ZKVWIFYAOZEYSO-AWEZNQCLSA-N 1 0 302.443 3.530 20 10 DHCDRO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)ccc1O ZINC000716296091 1032693502 /nfs/dbraw/zinc/69/35/02/1032693502.db2.gz KBNUQDGOGDEDBG-IGEOTXOUSA-N 1 0 315.388 3.930 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@H]3CCCC[C@H]3C)CC2)cc1F ZINC001168069449 1017393925 /nfs/dbraw/zinc/39/39/25/1017393925.db2.gz WVNMUAGKKYUFBF-HZPDHXFCSA-N 1 0 320.452 3.783 20 10 DHCDRO CC(C)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185881592 1017491517 /nfs/dbraw/zinc/49/15/17/1017491517.db2.gz YMQFPLXQZMASCM-HNNXBMFYSA-N 1 0 316.489 3.794 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3ccc(N(C)C)cc3C)nc21 ZINC000840935310 1017517404 /nfs/dbraw/zinc/51/74/04/1017517404.db2.gz LHJALFFFRNQOOE-UHFFFAOYSA-N 1 0 323.440 3.843 20 10 DHCDRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000186033943 1017649577 /nfs/dbraw/zinc/64/95/77/1017649577.db2.gz SMIXGAVMUSVHFI-NSHDSACASA-N 1 0 320.433 3.760 20 10 DHCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000125823512 1032720608 /nfs/dbraw/zinc/72/06/08/1032720608.db2.gz HRUIILKILSZLMM-ZDUSSCGKSA-N 1 0 301.386 3.602 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H](CO)CC(C)(C)C ZINC001117789896 1017765139 /nfs/dbraw/zinc/76/51/39/1017765139.db2.gz RSEOGUWZAOZRQE-GOSISDBHSA-N 1 0 304.478 3.516 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171461801 1032723626 /nfs/dbraw/zinc/72/36/26/1032723626.db2.gz ASPMHBKNVKEVFN-INIZCTEOSA-N 1 0 316.395 3.678 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000926915828 1032732811 /nfs/dbraw/zinc/73/28/11/1032732811.db2.gz MAWFGJDFIHPCEB-HUBLWGQQSA-N 1 0 317.351 3.851 20 10 DHCDRO CCOc1cccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000186140303 1017909830 /nfs/dbraw/zinc/90/98/30/1017909830.db2.gz SNMANODCQORLTL-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO CCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000021812904 1017957608 /nfs/dbraw/zinc/95/76/08/1017957608.db2.gz FPGLXFOLMQMWID-UHFFFAOYSA-N 1 0 317.260 3.663 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)c1O ZINC001171467558 1032741261 /nfs/dbraw/zinc/74/12/61/1032741261.db2.gz XRPRXEUGIBSXJR-HNNXBMFYSA-N 1 0 303.352 3.626 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000766085977 1018221379 /nfs/dbraw/zinc/22/13/79/1018221379.db2.gz XIKDGHLHJWPSFL-MRXNPFEDSA-N 1 0 312.461 3.949 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000766091549 1018260674 /nfs/dbraw/zinc/26/06/74/1018260674.db2.gz BQWPHJRBVOBZOV-SFHVURJKSA-N 1 0 300.450 3.771 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764535137 1018308967 /nfs/dbraw/zinc/30/89/67/1018308967.db2.gz ZNVQKUPPUAQCKF-OAHLLOKOSA-N 1 0 321.484 3.807 20 10 DHCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000764653652 1018337857 /nfs/dbraw/zinc/33/78/57/1018337857.db2.gz IZXJODCNCJDSOM-GOSISDBHSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858100365 1032766250 /nfs/dbraw/zinc/76/62/50/1032766250.db2.gz FFIALFCIJAVUAT-LBPRGKRZSA-N 1 0 320.383 3.890 20 10 DHCDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765119192 1018478216 /nfs/dbraw/zinc/47/82/16/1018478216.db2.gz SVOIHULLTCOGSI-MRXNPFEDSA-N 1 0 320.452 3.887 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000825754043 1032767546 /nfs/dbraw/zinc/76/75/46/1032767546.db2.gz YSCSZYNBYCPHAH-VIFPVBQESA-N 1 0 320.177 3.680 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCOC2CCCCCC2)cc1F ZINC000735676950 1018496974 /nfs/dbraw/zinc/49/69/74/1018496974.db2.gz MBKXYMAMRTXVMN-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161868248 1018662582 /nfs/dbraw/zinc/66/25/82/1018662582.db2.gz ZLONLKCGGYGIOL-QGZVFWFLSA-N 1 0 310.441 3.716 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1C ZINC000278463467 1018716723 /nfs/dbraw/zinc/71/67/23/1018716723.db2.gz MWRVXLAHLWJTCE-LLVKDONJSA-N 1 0 323.330 3.577 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298326 1018750534 /nfs/dbraw/zinc/75/05/34/1018750534.db2.gz UCIOETMOKQJMCK-QUCCMNQESA-N 1 0 316.489 3.564 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2nccc3c2CCCC3)n1 ZINC000921753771 1018762072 /nfs/dbraw/zinc/76/20/72/1018762072.db2.gz GESWHQQDGDRVPB-UHFFFAOYSA-N 1 0 319.499 3.689 20 10 DHCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000765443400 1018786930 /nfs/dbraw/zinc/78/69/30/1018786930.db2.gz FOFUCJNSDUIPNT-JKSUJKDBSA-N 1 0 304.478 3.969 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCSCC1 ZINC000709588786 1018847125 /nfs/dbraw/zinc/84/71/25/1018847125.db2.gz QRIQTPKJMGGOOR-LBPRGKRZSA-N 1 0 316.264 3.530 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc(Cl)ccc1O ZINC000756344633 1018882390 /nfs/dbraw/zinc/88/23/90/1018882390.db2.gz UJTCIZIEWLSXNI-ZDUSSCGKSA-N 1 0 310.869 3.961 20 10 DHCDRO Cc1nnc([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133621862 1018929922 /nfs/dbraw/zinc/92/99/22/1018929922.db2.gz AUUOWVLVODBREW-CQSZACIVSA-N 1 0 314.433 3.561 20 10 DHCDRO [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000715711625 1018945614 /nfs/dbraw/zinc/94/56/14/1018945614.db2.gz GQIKMEZIXMNJPW-AOOOYVTPSA-N 1 0 314.198 3.526 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000318069131 1018956481 /nfs/dbraw/zinc/95/64/81/1018956481.db2.gz QPDGUIPPQBCSOZ-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000922986909 1018967473 /nfs/dbraw/zinc/96/74/73/1018967473.db2.gz GZBZPYTVUVAEGL-UHFFFAOYSA-N 1 0 301.434 3.681 20 10 DHCDRO CCOc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)c(O)c1 ZINC000923024464 1018988128 /nfs/dbraw/zinc/98/81/28/1018988128.db2.gz GJMUKHRGJMHZOU-LJQANCHMSA-N 1 0 313.397 3.578 20 10 DHCDRO Cn1cncc1-c1cccc(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168548074 1018997030 /nfs/dbraw/zinc/99/70/30/1018997030.db2.gz JWHIGNRHIXUTCI-INIZCTEOSA-N 1 0 318.424 3.671 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c(O)c1 ZINC000386989866 1019038730 /nfs/dbraw/zinc/03/87/30/1019038730.db2.gz FKHXQBAYLXZUJO-AWEZNQCLSA-N 1 0 300.402 3.734 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2C2CCC2)cc1 ZINC000921553639 1019053831 /nfs/dbraw/zinc/05/38/31/1019053831.db2.gz KKOJNEBDASGZGX-UHFFFAOYSA-N 1 0 312.461 3.744 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000318187607 1019093714 /nfs/dbraw/zinc/09/37/14/1019093714.db2.gz QRZAQYXXXXTKAI-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1F ZINC000858238974 1032811449 /nfs/dbraw/zinc/81/14/49/1032811449.db2.gz MRDWGFXWFRQPLU-LJQANCHMSA-N 1 0 313.420 3.918 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c1 ZINC000858238595 1032812225 /nfs/dbraw/zinc/81/22/25/1032812225.db2.gz APVPJEXMDOZPHY-UHFFFAOYSA-N 1 0 321.424 3.699 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765960150 1019178566 /nfs/dbraw/zinc/17/85/66/1019178566.db2.gz UXBPNMXFVJLRAX-BEFAXECRSA-N 1 0 320.452 3.893 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921973803 1019246969 /nfs/dbraw/zinc/24/69/69/1019246969.db2.gz KYXVARODCNNNGS-QGZVFWFLSA-N 1 0 315.413 3.780 20 10 DHCDRO c1cc2c(cc1C[NH2+]Cc1ccc3c(n1)CCCC3)CCCO2 ZINC000922064512 1019390907 /nfs/dbraw/zinc/39/09/07/1019390907.db2.gz OJMMSFPGCGPXLA-UHFFFAOYSA-N 1 0 308.425 3.575 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCCCC2)O1 ZINC001171636111 1032836570 /nfs/dbraw/zinc/83/65/70/1032836570.db2.gz LGBXUDMUEPHMHR-MRXNPFEDSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727429364 1019712568 /nfs/dbraw/zinc/71/25/68/1019712568.db2.gz JRSRSKVXTWJAGM-BTYIYWSLSA-N 1 0 323.436 3.843 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc2ccccc2c1O ZINC000186515284 1019770068 /nfs/dbraw/zinc/77/00/68/1019770068.db2.gz JIVPECIXNQQHQS-CXAGYDPISA-N 1 0 311.381 3.913 20 10 DHCDRO CCC[N@H+](Cc1cccc(C(=O)OC)c1)Cc1ccccc1O ZINC000727831004 1019817799 /nfs/dbraw/zinc/81/77/99/1019817799.db2.gz BLDCVTRHNKUYGP-UHFFFAOYSA-N 1 0 313.397 3.591 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000922215746 1019893105 /nfs/dbraw/zinc/89/31/05/1019893105.db2.gz FUNGMWMHLCQJDF-STQMWFEESA-N 1 0 313.397 3.575 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000922283612 1019962578 /nfs/dbraw/zinc/96/25/78/1019962578.db2.gz FKBQTDKONJFMJB-SJLPKXTDSA-N 1 0 303.446 3.776 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCc2sccc2C1 ZINC000730456442 1019993176 /nfs/dbraw/zinc/99/31/76/1019993176.db2.gz AIPZTDCMKZSGPY-UHFFFAOYSA-N 1 0 310.422 3.950 20 10 DHCDRO Cn1cncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294510108 1020039287 /nfs/dbraw/zinc/03/92/87/1020039287.db2.gz YRRXBSRIPPQEKW-LJQANCHMSA-N 1 0 321.424 3.589 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000731843555 1020156878 /nfs/dbraw/zinc/15/68/78/1020156878.db2.gz QIIQMQPLLRSEFZ-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000309895298 1020177101 /nfs/dbraw/zinc/17/71/01/1020177101.db2.gz PXQLETBHSOVGKJ-PXNSSMCTSA-N 1 0 323.484 3.678 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c1O ZINC000922671933 1020202051 /nfs/dbraw/zinc/20/20/51/1020202051.db2.gz JLFGFKIIWGXMEP-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000732229778 1020213798 /nfs/dbraw/zinc/21/37/98/1020213798.db2.gz GGDIPLHJRRPOIU-MRXNPFEDSA-N 1 0 316.489 3.612 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1O ZINC000922843892 1020301245 /nfs/dbraw/zinc/30/12/45/1020301245.db2.gz ZWNBEPRFWAMUGS-AWEZNQCLSA-N 1 0 307.459 3.699 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c(O)c1OC ZINC000892431516 1020303563 /nfs/dbraw/zinc/30/35/63/1020303563.db2.gz RMCVZMUTVWZVNU-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1C ZINC000922871876 1020324624 /nfs/dbraw/zinc/32/46/24/1020324624.db2.gz WQHHNWSZAKTBQW-XGWQRUHWSA-N 1 0 319.445 3.556 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCc2cccc(F)c2)cc1F ZINC000733328440 1020374526 /nfs/dbraw/zinc/37/45/26/1020374526.db2.gz VARLQWBZPRIFEI-UHFFFAOYSA-N 1 0 304.384 3.753 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000733327569 1020374863 /nfs/dbraw/zinc/37/48/63/1020374863.db2.gz FWDQQQSVJVZWRV-LJQANCHMSA-N 1 0 304.478 3.829 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000733334298 1020375543 /nfs/dbraw/zinc/37/55/43/1020375543.db2.gz FDEUDPINYRRISP-MRXNPFEDSA-N 1 0 308.853 3.542 20 10 DHCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179573380 1020411175 /nfs/dbraw/zinc/41/11/75/1020411175.db2.gz BUTSHQBQXOJHAN-PXNSSMCTSA-N 1 0 324.468 3.877 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1 ZINC000858453912 1032901600 /nfs/dbraw/zinc/90/16/00/1032901600.db2.gz QJOYRYRXVYNMDX-YJBOKZPZSA-N 1 0 311.425 3.801 20 10 DHCDRO CCn1c(C[NH2+]Cc2ccc3c(c2)CCCO3)nc2ccccc21 ZINC000921690323 1020466860 /nfs/dbraw/zinc/46/68/60/1020466860.db2.gz RGIHTWBTURJSKS-UHFFFAOYSA-N 1 0 321.424 3.671 20 10 DHCDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000858462059 1032905316 /nfs/dbraw/zinc/90/53/16/1032905316.db2.gz RRLMNYSTELUJDK-CQSZACIVSA-N 1 0 320.864 3.793 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c(O)c1OC ZINC000892488679 1020513123 /nfs/dbraw/zinc/51/31/23/1020513123.db2.gz SYLMLLARXWCWTM-OAHLLOKOSA-N 1 0 319.426 3.712 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734005031 1020545056 /nfs/dbraw/zinc/54/50/56/1020545056.db2.gz PFDIHFHBMQOQPQ-IEBWSBKVSA-N 1 0 316.489 3.829 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(N(C)C)cc1 ZINC000765902151 1020549445 /nfs/dbraw/zinc/54/94/45/1020549445.db2.gz AIXSFUVASVFAAR-RTBURBONSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000765905441 1020565510 /nfs/dbraw/zinc/56/55/10/1020565510.db2.gz UUMZVBVORMNVOQ-INIZCTEOSA-N 1 0 302.462 3.633 20 10 DHCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000858495985 1032921128 /nfs/dbraw/zinc/92/11/28/1032921128.db2.gz MRCKXPQBHWFDHE-CQSZACIVSA-N 1 0 312.413 3.534 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)CCC3)cc2F)C[C@@H](C)O1 ZINC000766212906 1020686833 /nfs/dbraw/zinc/68/68/33/1020686833.db2.gz BJYGBAXLXNLUNE-HUUCEWRRSA-N 1 0 320.452 3.719 20 10 DHCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000858496872 1032924169 /nfs/dbraw/zinc/92/41/69/1032924169.db2.gz WAYWOLZWUFDRGU-CQSZACIVSA-N 1 0 312.413 3.534 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1 ZINC000735677237 1020759114 /nfs/dbraw/zinc/75/91/14/1020759114.db2.gz OVVHDNWKYISAJG-UHFFFAOYSA-N 1 0 312.457 3.961 20 10 DHCDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000736361301 1020810628 /nfs/dbraw/zinc/81/06/28/1020810628.db2.gz SIGICZBPJIIPRV-OAHLLOKOSA-N 1 0 322.468 3.967 20 10 DHCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCCO1 ZINC000738060233 1020863020 /nfs/dbraw/zinc/86/30/20/1020863020.db2.gz BQZYUFNFOMQFBE-CYBMUJFWSA-N 1 0 315.413 3.628 20 10 DHCDRO CCS[C@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226256 1020865380 /nfs/dbraw/zinc/86/53/80/1020865380.db2.gz GAHQLBSRKYYPSC-KRWDZBQOSA-N 1 0 305.487 3.989 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@@H]2C(C)C)cc1C(C)C ZINC000738286736 1020866486 /nfs/dbraw/zinc/86/64/86/1020866486.db2.gz ZDRJZDRPUWNCBZ-GOSISDBHSA-N 1 0 304.478 3.596 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@H]2C(C)C)cc1C(C)C ZINC000738286737 1020867936 /nfs/dbraw/zinc/86/79/36/1020867936.db2.gz ZDRJZDRPUWNCBZ-SFHVURJKSA-N 1 0 304.478 3.596 20 10 DHCDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2O1 ZINC000738430856 1020873976 /nfs/dbraw/zinc/87/39/76/1020873976.db2.gz RISJTUVDVQNDAJ-UHFFFAOYSA-N 1 0 309.409 3.625 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(C)o2)cc1F ZINC000740003133 1020923085 /nfs/dbraw/zinc/92/30/85/1020923085.db2.gz VTHVVPZLCQVWBF-UHFFFAOYSA-N 1 0 304.409 3.906 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(O)cc2)cc1F ZINC000740004986 1020923160 /nfs/dbraw/zinc/92/31/60/1020923160.db2.gz YZMOYUQKGDJFDW-UHFFFAOYSA-N 1 0 316.420 3.710 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOC2CCCC2)cc1F ZINC000740003958 1020923844 /nfs/dbraw/zinc/92/38/44/1020923844.db2.gz FHOXLRJWOCEJRC-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1(C)C ZINC000740861870 1020956226 /nfs/dbraw/zinc/95/62/26/1020956226.db2.gz SCXPEBSMSXWPHS-ZWKOTPCHSA-N 1 0 314.429 3.576 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000766274071 1021035753 /nfs/dbraw/zinc/03/57/53/1021035753.db2.gz SKOGRQWVUOSVNP-ZWKOTPCHSA-N 1 0 315.505 3.812 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(C)c(C)cc3O)c2c1 ZINC000742370565 1021113556 /nfs/dbraw/zinc/11/35/56/1021113556.db2.gz BJDOGRZYQRSWQJ-UHFFFAOYSA-N 1 0 324.424 3.831 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000742377148 1021114388 /nfs/dbraw/zinc/11/43/88/1021114388.db2.gz NETNKQBOUXHXHM-AEFFLSMTSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000742379642 1021115490 /nfs/dbraw/zinc/11/54/90/1021115490.db2.gz ZBVFPGMQVMVIEY-ZDUSSCGKSA-N 1 0 305.805 3.911 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC001202388212 1021221093 /nfs/dbraw/zinc/22/10/93/1021221093.db2.gz QVNIPIPQIUKDBH-SFHVURJKSA-N 1 0 320.452 3.721 20 10 DHCDRO CC(C)[C@@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCCCCC1 ZINC000917395035 1021247921 /nfs/dbraw/zinc/24/79/21/1021247921.db2.gz ZRBMOBUDIKQUTF-LJQANCHMSA-N 1 0 316.489 3.612 20 10 DHCDRO CCOc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000917479130 1021270376 /nfs/dbraw/zinc/27/03/76/1021270376.db2.gz HEVZUUKBJMCRGG-UHFFFAOYSA-N 1 0 311.425 3.912 20 10 DHCDRO Cc1cc(CN2CC[NH+](CC3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000917480227 1021271708 /nfs/dbraw/zinc/27/17/08/1021271708.db2.gz YAAFLXHTOULBLH-UHFFFAOYSA-N 1 0 316.489 3.526 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCS1 ZINC000743400704 1021285496 /nfs/dbraw/zinc/28/54/96/1021285496.db2.gz QUWQPTCRPGFOHU-OAHLLOKOSA-N 1 0 317.454 3.881 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1C ZINC000743408858 1021289565 /nfs/dbraw/zinc/28/95/65/1021289565.db2.gz OZLQBUBXEKDNAR-VQIMIIECSA-N 1 0 311.425 3.971 20 10 DHCDRO CCOc1cccc(C[NH2+]CCCc2c[nH]c3ccccc23)c1O ZINC000107714054 1021344539 /nfs/dbraw/zinc/34/45/39/1021344539.db2.gz MMFGHFITJQKIHB-UHFFFAOYSA-N 1 0 324.424 3.995 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000166144499 1021387726 /nfs/dbraw/zinc/38/77/26/1021387726.db2.gz WWLZNPOOTUPSIM-CYBMUJFWSA-N 1 0 301.434 3.641 20 10 DHCDRO COc1cc(C[NH2+]CCCOCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850014246 1021396876 /nfs/dbraw/zinc/39/68/76/1021396876.db2.gz YJQIIZSNYNBIBR-UHFFFAOYSA-N 1 0 321.461 3.605 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1 ZINC000154618721 1021423851 /nfs/dbraw/zinc/42/38/51/1021423851.db2.gz BVTJIOOOUKAHKX-IRXDYDNUSA-N 1 0 306.494 3.838 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000080371144 1021464084 /nfs/dbraw/zinc/46/40/84/1021464084.db2.gz PIEVLRYFWVMHRK-XLIONFOSSA-N 1 0 324.468 3.843 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000154652613 1021467462 /nfs/dbraw/zinc/46/74/62/1021467462.db2.gz WMQUCJHAXMCPJH-VQIMIIECSA-N 1 0 306.494 3.838 20 10 DHCDRO COc1cc(C[NH2+]C2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000850323087 1021472042 /nfs/dbraw/zinc/47/20/42/1021472042.db2.gz CSQMDWXJIFVUPJ-UHFFFAOYSA-N 1 0 321.461 3.746 20 10 DHCDRO OC1CCN(c2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC000850406054 1021513935 /nfs/dbraw/zinc/51/39/35/1021513935.db2.gz PQTCEEXXBMUSEC-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850411628 1021517751 /nfs/dbraw/zinc/51/77/51/1021517751.db2.gz GWJNXJWWWNXIQN-FLNVOPPSSA-N 1 0 324.468 3.520 20 10 DHCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420622 1021522603 /nfs/dbraw/zinc/52/26/03/1021522603.db2.gz PXYMFRILTRHXQJ-UWJYYQICSA-N 1 0 324.468 3.889 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000850475206 1021556622 /nfs/dbraw/zinc/55/66/22/1021556622.db2.gz VAFZNEHJECEHNF-CQSZACIVSA-N 1 0 310.432 3.669 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C(C)(C)C)c2c1c(F)ccc2O ZINC000850481319 1021557666 /nfs/dbraw/zinc/55/76/66/1021557666.db2.gz JGBHHLWVVSAFFT-YRGRVCCFSA-N 1 0 306.425 3.542 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4occc43)C2)cc1 ZINC000850487114 1021560862 /nfs/dbraw/zinc/56/08/62/1021560862.db2.gz GDWOOLULSVEAEG-KDOFPFPSSA-N 1 0 312.413 3.534 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(c4ccccc4)C3)C2)cc1 ZINC000850489093 1021561933 /nfs/dbraw/zinc/56/19/33/1021561933.db2.gz QQTCXYFDQFJKNP-JLAWEPINSA-N 1 0 322.452 3.810 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1O ZINC000850501692 1021564413 /nfs/dbraw/zinc/56/44/13/1021564413.db2.gz PRPQQESNJCGXHV-QGZVFWFLSA-N 1 0 311.429 3.628 20 10 DHCDRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850523085 1021575514 /nfs/dbraw/zinc/57/55/14/1021575514.db2.gz YBJHUVJQVIIQKB-NHYWBVRUSA-N 1 0 319.351 3.715 20 10 DHCDRO CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000850533975 1021588065 /nfs/dbraw/zinc/58/80/65/1021588065.db2.gz HSMSARVREFCOBE-BBWFWOEESA-N 1 0 324.415 3.608 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535911 1021589700 /nfs/dbraw/zinc/58/97/00/1021589700.db2.gz DRLQXSUVLOJHBY-PELKAZGASA-N 1 0 320.177 3.851 20 10 DHCDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850553655 1021600240 /nfs/dbraw/zinc/60/02/40/1021600240.db2.gz AANYIQUINAAYER-MJXNMMHHSA-N 1 0 317.404 3.940 20 10 DHCDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568166 1021610616 /nfs/dbraw/zinc/61/06/16/1021610616.db2.gz QOSZGLNMNUSZPY-OALUTQOASA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000850585749 1021625005 /nfs/dbraw/zinc/62/50/05/1021625005.db2.gz ZJGPXDCRMGKOTO-ZDUSSCGKSA-N 1 0 322.880 3.818 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(O)c1OC ZINC000892903128 1021667517 /nfs/dbraw/zinc/66/75/17/1021667517.db2.gz NWSDDTYJALOZLT-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000314033475 1021696624 /nfs/dbraw/zinc/69/66/24/1021696624.db2.gz ONNTWQRAFRAFIB-GFCCVEGCSA-N 1 0 303.324 3.564 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000293954481 1021696716 /nfs/dbraw/zinc/69/67/16/1021696716.db2.gz ZMVUKVDUKGIVRI-VELGLUOQSA-N 1 0 323.436 3.976 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C1CCOCC1 ZINC000746053431 1021836514 /nfs/dbraw/zinc/83/65/14/1021836514.db2.gz BRLNIECHALSIBX-GOSISDBHSA-N 1 0 322.468 3.967 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065430427 1021886776 /nfs/dbraw/zinc/88/67/76/1021886776.db2.gz VUFSPFHACILHNW-QGZVFWFLSA-N 1 0 310.441 3.682 20 10 DHCDRO CO[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000851716767 1021972887 /nfs/dbraw/zinc/97/28/87/1021972887.db2.gz QTZHRLYEYXVTRD-RBUKOAKNSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1ccccc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000110247936 1022021408 /nfs/dbraw/zinc/02/14/08/1022021408.db2.gz DMSOOOOLJQDEFM-UHFFFAOYSA-N 1 0 320.230 3.795 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000183451619 1022147490 /nfs/dbraw/zinc/14/74/90/1022147490.db2.gz CBZWRGQPCPIKPL-HUUCEWRRSA-N 1 0 324.424 3.931 20 10 DHCDRO COc1cc(O)c(C[N@H+](C(C)C)C2CCCCC2)cc1OC ZINC000183503858 1022156401 /nfs/dbraw/zinc/15/64/01/1022156401.db2.gz HFUMXRMAWOXFAK-UHFFFAOYSA-N 1 0 307.434 3.953 20 10 DHCDRO CC(C)c1nnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000766548731 1022188549 /nfs/dbraw/zinc/18/85/49/1022188549.db2.gz DVCWKRRSERYJNE-GFCCVEGCSA-N 1 0 304.463 3.578 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O ZINC000853240156 1022241614 /nfs/dbraw/zinc/24/16/14/1022241614.db2.gz GZRAWZCFXPWAGU-BBRMVZONSA-N 1 0 319.445 3.801 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c(O)c1 ZINC000853239792 1022242224 /nfs/dbraw/zinc/24/22/24/1022242224.db2.gz DOYAEDREPCPGRN-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178345799 1022256093 /nfs/dbraw/zinc/25/60/93/1022256093.db2.gz XROGYHAZTVYSOH-VQIMIIECSA-N 1 0 304.478 3.735 20 10 DHCDRO Oc1c(CNc2cccn3c[nH+]cc23)cc(Cl)c2cccnc12 ZINC001168525373 1022296686 /nfs/dbraw/zinc/29/66/86/1022296686.db2.gz BSCOOEQCLYQOGE-UHFFFAOYSA-N 1 0 324.771 3.854 20 10 DHCDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853635422 1022300879 /nfs/dbraw/zinc/30/08/79/1022300879.db2.gz NGDXJETUPFSKNM-MRXNPFEDSA-N 1 0 314.429 3.577 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccnc(Cl)c1 ZINC000122939935 1022312202 /nfs/dbraw/zinc/31/22/02/1022312202.db2.gz KISJYEKCRIJCHO-CYBMUJFWSA-N 1 0 315.848 3.968 20 10 DHCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000309755640 1022390145 /nfs/dbraw/zinc/39/01/45/1022390145.db2.gz WYBZNMNGFLPZSO-CQSZACIVSA-N 1 0 318.848 3.656 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC001169463513 1022422723 /nfs/dbraw/zinc/42/27/23/1022422723.db2.gz WTFCXAWUXVRHMK-QAPCUYQASA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237568402 1022444830 /nfs/dbraw/zinc/44/48/30/1022444830.db2.gz OYPNIHMGSAISRL-SFHVURJKSA-N 1 0 324.468 3.807 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185228252 1022467722 /nfs/dbraw/zinc/46/77/22/1022467722.db2.gz XVMRLGLVQARBMC-BBRMVZONSA-N 1 0 320.408 3.858 20 10 DHCDRO O=C(C[C@@H]1CCC[N@H+]1Cc1ccccc1O)c1ccc(F)cc1 ZINC000179586926 1022476021 /nfs/dbraw/zinc/47/60/21/1022476021.db2.gz CGPXUMMEOZWVED-KRWDZBQOSA-N 1 0 313.372 3.769 20 10 DHCDRO CCC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000103479485 1022594033 /nfs/dbraw/zinc/59/40/33/1022594033.db2.gz FJQXAKUWJIABHM-UHFFFAOYSA-N 1 0 312.413 3.633 20 10 DHCDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179991128 1022605488 /nfs/dbraw/zinc/60/54/88/1022605488.db2.gz WONSYQPGHZCVFC-UHFFFAOYSA-N 1 0 317.404 3.960 20 10 DHCDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000180068127 1022628762 /nfs/dbraw/zinc/62/87/62/1022628762.db2.gz PSAXJXIZGMFHEE-CHWSQXEVSA-N 1 0 307.434 3.808 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1O ZINC000756514041 1022646822 /nfs/dbraw/zinc/64/68/22/1022646822.db2.gz CYOHMSLAPUBBNY-NSHDSACASA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000691441820 1022693709 /nfs/dbraw/zinc/69/37/09/1022693709.db2.gz BIGCEURXLRVFST-LLVKDONJSA-N 1 0 324.218 3.859 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3cc(F)ccc3O)CCCC2)n1 ZINC000180738232 1022798133 /nfs/dbraw/zinc/79/81/33/1022798133.db2.gz ZOOXRGOZPUPSPI-UHFFFAOYSA-N 1 0 306.406 3.855 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)cc1 ZINC000189105858 1022832152 /nfs/dbraw/zinc/83/21/52/1022832152.db2.gz UYYUIPFWMQXXRZ-LJQANCHMSA-N 1 0 314.473 3.976 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000856803278 1022872994 /nfs/dbraw/zinc/87/29/94/1022872994.db2.gz CWNUYHDRWIZVON-VQTKUKTRSA-N 1 0 313.272 3.939 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1F ZINC000856807996 1022874845 /nfs/dbraw/zinc/87/48/45/1022874845.db2.gz UKDZSJIVKOQGDJ-LLVKDONJSA-N 1 0 305.224 3.565 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000768145097 1022896900 /nfs/dbraw/zinc/89/69/00/1022896900.db2.gz XCUBLJAWBONBKT-YVMONPNESA-N 1 0 322.452 3.532 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2c1OCO2 ZINC000768134268 1022902406 /nfs/dbraw/zinc/90/24/06/1022902406.db2.gz RAEGWDKVNRMVEY-UHFFFAOYSA-N 1 0 312.413 3.503 20 10 DHCDRO C[N@@H+](Cc1cc(Br)ccc1O)Cc1ccccc1F ZINC000768171248 1022913333 /nfs/dbraw/zinc/91/33/33/1022913333.db2.gz ACIPCCHIQFBUDQ-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c1O ZINC000768199359 1022913478 /nfs/dbraw/zinc/91/34/78/1022913478.db2.gz HJKIQHSGQZQNIE-UHFFFAOYSA-N 1 0 319.376 3.571 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(C)ccc2O)cc1 ZINC000768208166 1022916416 /nfs/dbraw/zinc/91/64/16/1022916416.db2.gz OIWKNBYNQLOTSK-UHFFFAOYSA-N 1 0 313.445 3.574 20 10 DHCDRO CCOc1cccc(C[N@H+](C)CCOc2cccc(C)c2)c1O ZINC000768211725 1022923559 /nfs/dbraw/zinc/92/35/59/1022923559.db2.gz CWEWHJUEJNZRKH-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO CC(C)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768241199 1022924664 /nfs/dbraw/zinc/92/46/64/1022924664.db2.gz MTKDJVJVZLJLCR-UHFFFAOYSA-N 1 0 310.441 3.585 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1COC(C)(C)C1 ZINC001172280434 1033093827 /nfs/dbraw/zinc/09/38/27/1033093827.db2.gz QNQXPNKXYLPXJD-SUMWQHHRSA-N 1 0 303.446 3.790 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000323909037 1022947196 /nfs/dbraw/zinc/94/71/96/1022947196.db2.gz RUTOXLPZKQJRRB-LRDDRELGSA-N 1 0 313.397 3.748 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3)C1)CCCC2 ZINC000768442684 1022968442 /nfs/dbraw/zinc/96/84/42/1022968442.db2.gz YWIUOSLRTQGDOK-OAQYLSRUSA-N 1 0 323.436 3.845 20 10 DHCDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768447386 1022969006 /nfs/dbraw/zinc/96/90/06/1022969006.db2.gz OSGNHUGWNUXBRO-DZGCQCFKSA-N 1 0 307.434 3.810 20 10 DHCDRO Oc1ccc(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)cc1O ZINC001169996947 1023039991 /nfs/dbraw/zinc/03/99/91/1023039991.db2.gz NSGLYSOLWDLLRL-UHFFFAOYSA-N 1 0 305.337 3.739 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000768913752 1023055132 /nfs/dbraw/zinc/05/51/32/1023055132.db2.gz RTRCGMKGXNNYLI-MBOZVWFJSA-N 1 0 315.505 3.590 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000768913750 1023056453 /nfs/dbraw/zinc/05/64/53/1023056453.db2.gz RTRCGMKGXNNYLI-FUHIMQAGSA-N 1 0 315.505 3.590 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000769030126 1023071613 /nfs/dbraw/zinc/07/16/13/1023071613.db2.gz PRPNISDYBNWLPP-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO CCOc1cccc(C[N@H+](C)CCc2ccccc2F)c1O ZINC000769030512 1023072060 /nfs/dbraw/zinc/07/20/60/1023072060.db2.gz SIZPAYHNRYQUPF-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(C)c2)c1 ZINC000769233798 1023102704 /nfs/dbraw/zinc/10/27/04/1023102704.db2.gz PYMUMNKTCVIDHI-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769326412 1023122620 /nfs/dbraw/zinc/12/26/20/1023122620.db2.gz LWORMTMEONCFKU-MRXNPFEDSA-N 1 0 312.457 3.824 20 10 DHCDRO CCC[N@@H+](Cc1ccc(OCC)cc1O)C[C@@H]1CCCCO1 ZINC000769339471 1023128942 /nfs/dbraw/zinc/12/89/42/1023128942.db2.gz PYJWEKFRVSUBMT-KRWDZBQOSA-N 1 0 307.434 3.572 20 10 DHCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000769422613 1023144853 /nfs/dbraw/zinc/14/48/53/1023144853.db2.gz KQXLFZXMNIINJD-GOSISDBHSA-N 1 0 304.478 3.781 20 10 DHCDRO CCC1(CC)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769398152 1023149950 /nfs/dbraw/zinc/14/99/50/1023149950.db2.gz GYBOJYLVFVDMNF-UHFFFAOYSA-N 1 0 320.452 3.674 20 10 DHCDRO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000769484886 1023151761 /nfs/dbraw/zinc/15/17/61/1023151761.db2.gz WLLVTESUIZMCRD-SFHVURJKSA-N 1 0 319.832 3.910 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000769451942 1023155484 /nfs/dbraw/zinc/15/54/84/1023155484.db2.gz QFMVOBIJBPERQY-LJQANCHMSA-N 1 0 310.441 3.801 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000769451941 1023155852 /nfs/dbraw/zinc/15/58/52/1023155852.db2.gz QFMVOBIJBPERQY-IBGZPJMESA-N 1 0 310.441 3.801 20 10 DHCDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769458665 1023159209 /nfs/dbraw/zinc/15/92/09/1023159209.db2.gz XUIUVWYAPOJOBG-SFHVURJKSA-N 1 0 302.462 3.678 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1F ZINC000769468135 1023161806 /nfs/dbraw/zinc/16/18/06/1023161806.db2.gz AQRPDDYYFJPFHA-UHFFFAOYSA-N 1 0 322.468 3.920 20 10 DHCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769471640 1023163369 /nfs/dbraw/zinc/16/33/69/1023163369.db2.gz WXBWJRMFSIDTEK-JQHSSLGASA-N 1 0 303.446 3.726 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000769491791 1023164895 /nfs/dbraw/zinc/16/48/95/1023164895.db2.gz CHGSIOHDDPOLBZ-FQEVSTJZSA-N 1 0 322.452 3.990 20 10 DHCDRO CN1CCc2cc(C[NH2+]Cc3cc(F)cc4cccnc43)ccc21 ZINC000364452948 1023189981 /nfs/dbraw/zinc/18/99/81/1023189981.db2.gz XYEMUVQCJQJAPF-UHFFFAOYSA-N 1 0 321.399 3.656 20 10 DHCDRO CCC[N@H+](Cc1ccc2nccnc2c1)Cc1ccccc1O ZINC000876654469 1033115358 /nfs/dbraw/zinc/11/53/58/1033115358.db2.gz GUUCDYQXUPLWGU-UHFFFAOYSA-N 1 0 307.397 3.748 20 10 DHCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769875919 1023239438 /nfs/dbraw/zinc/23/94/38/1023239438.db2.gz XZOPYOPUNDXKPE-LLVKDONJSA-N 1 0 305.397 3.601 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000769930541 1023250008 /nfs/dbraw/zinc/25/00/08/1023250008.db2.gz LFFVJNLJWRFVTP-OXJNMPFZSA-N 1 0 312.457 3.785 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000769933681 1023250667 /nfs/dbraw/zinc/25/06/67/1023250667.db2.gz HIGZWJQMSYQHAU-UHFFFAOYSA-N 1 0 317.772 3.553 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000770741043 1023347082 /nfs/dbraw/zinc/34/70/82/1023347082.db2.gz JHIYMIDBHOMACR-UHFFFAOYSA-N 1 0 315.388 3.652 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000770750104 1023347694 /nfs/dbraw/zinc/34/76/94/1023347694.db2.gz ZKEXPAHRBWZKST-SCLBCKFNSA-N 1 0 303.377 3.706 20 10 DHCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C)cccc1O)CCC2 ZINC000876730974 1033129335 /nfs/dbraw/zinc/12/93/35/1033129335.db2.gz CMGKVQWECTXZOO-OAHLLOKOSA-N 1 0 302.443 3.975 20 10 DHCDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876738824 1033130323 /nfs/dbraw/zinc/13/03/23/1033130323.db2.gz BMDQEADJAMSODI-FQEVSTJZSA-N 1 0 316.489 3.658 20 10 DHCDRO C[NH+]1CCN(c2ccc(/C=C\c3nc4ccccc4o3)cc2)CC1 ZINC000771521455 1023448518 /nfs/dbraw/zinc/44/85/18/1023448518.db2.gz SEOONYRSULDKIS-FLIBITNWSA-N 1 0 319.408 3.750 20 10 DHCDRO CC[C@H](C)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771842443 1023474541 /nfs/dbraw/zinc/47/45/41/1023474541.db2.gz NQFTZQGIDYRAIH-KBPBESRZSA-N 1 0 312.404 3.893 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000771934070 1023489878 /nfs/dbraw/zinc/48/98/78/1023489878.db2.gz VBQZYQKUJPWWLP-UHFFFAOYSA-N 1 0 320.440 3.775 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778661 1033141002 /nfs/dbraw/zinc/14/10/02/1033141002.db2.gz LKAANDZDTMGVCG-CXAGYDPISA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795596 1033142959 /nfs/dbraw/zinc/14/29/59/1033142959.db2.gz ROEFLMMHCZHDEU-JLCFBVMHSA-N 1 0 317.454 3.631 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795595 1033143648 /nfs/dbraw/zinc/14/36/48/1033143648.db2.gz ROEFLMMHCZHDEU-FPTDNZKUSA-N 1 0 317.454 3.631 20 10 DHCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876790858 1033144215 /nfs/dbraw/zinc/14/42/15/1033144215.db2.gz DHXPSMXPNCYOOP-MRXNPFEDSA-N 1 0 304.478 3.516 20 10 DHCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000785793944 1023619476 /nfs/dbraw/zinc/61/94/76/1023619476.db2.gz IUINQKHPBNDSBL-IBGZPJMESA-N 1 0 312.457 3.526 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(O)c1 ZINC000785988318 1023648498 /nfs/dbraw/zinc/64/84/98/1023648498.db2.gz KWCJHERXZZUZOQ-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc3cc[nH]c32)c1O ZINC000786579150 1023708933 /nfs/dbraw/zinc/70/89/33/1023708933.db2.gz ODUODIDSIURPRL-UHFFFAOYSA-N 1 0 316.788 3.825 20 10 DHCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000786574889 1023711606 /nfs/dbraw/zinc/71/16/06/1023711606.db2.gz HRGSYLAWGMAWJD-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1F ZINC000786820539 1023730518 /nfs/dbraw/zinc/73/05/18/1023730518.db2.gz ZEJWKHNQJAHOOT-UHFFFAOYSA-N 1 0 308.347 3.502 20 10 DHCDRO CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000786949070 1023740129 /nfs/dbraw/zinc/74/01/29/1023740129.db2.gz IBRWXVIYNHEAJC-HLUHBDAQSA-N 1 0 321.314 3.637 20 10 DHCDRO CCCN(Cc1scnc1C1CC1)c1ccc(C[NH3+])cc1 ZINC000787291314 1023780419 /nfs/dbraw/zinc/78/04/19/1023780419.db2.gz WLHCPZMTXJMLQA-UHFFFAOYSA-N 1 0 301.459 3.896 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000788259635 1023865558 /nfs/dbraw/zinc/86/55/58/1023865558.db2.gz OCZCUOPNJUMAHR-GDBMZVCRSA-N 1 0 301.434 3.525 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000788258752 1023865989 /nfs/dbraw/zinc/86/59/89/1023865989.db2.gz IULGUTXEGKYKLW-QAPCUYQASA-N 1 0 314.477 3.577 20 10 DHCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000788262109 1023867091 /nfs/dbraw/zinc/86/70/91/1023867091.db2.gz MRAXXKNTMRWAEE-CQSZACIVSA-N 1 0 305.462 3.863 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC000788540138 1023901413 /nfs/dbraw/zinc/90/14/13/1023901413.db2.gz RHEKXDDKDCJYLQ-UXHICEINSA-N 1 0 313.441 3.851 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@]1(C)CCCO1 ZINC000788595048 1023911478 /nfs/dbraw/zinc/91/14/78/1023911478.db2.gz ZKPFTBZZSVJCPL-FXAWDEMLSA-N 1 0 316.489 3.970 20 10 DHCDRO Cc1cc(C)c([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(O)c1 ZINC000788721081 1023925445 /nfs/dbraw/zinc/92/54/45/1023925445.db2.gz YBWBJACVEUETOQ-AWEZNQCLSA-N 1 0 308.385 3.763 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1 ZINC000788758411 1023929963 /nfs/dbraw/zinc/92/99/63/1023929963.db2.gz PPGRQZJDWFHSDJ-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000193874797 1023978531 /nfs/dbraw/zinc/97/85/31/1023978531.db2.gz LGIGSIKHTHZTKK-AEGPPILISA-N 1 0 313.397 3.538 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194101445 1023987102 /nfs/dbraw/zinc/98/71/02/1023987102.db2.gz BCGNJUPLAQQYMV-MRXNPFEDSA-N 1 0 321.804 3.532 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)ccc1OC ZINC000195454293 1024033492 /nfs/dbraw/zinc/03/34/92/1024033492.db2.gz AOHGXGTYPRKVOJ-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000789386792 1024055798 /nfs/dbraw/zinc/05/57/98/1024055798.db2.gz HEWLHRXAFVFUCJ-FOIQADDNSA-N 1 0 312.457 3.699 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000876905084 1033181978 /nfs/dbraw/zinc/18/19/78/1033181978.db2.gz POGWZZVRVOGXQN-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1C(C)C ZINC000789544552 1024111234 /nfs/dbraw/zinc/11/12/34/1024111234.db2.gz HGHUOFXFSFYHFQ-IBGZPJMESA-N 1 0 303.446 3.827 20 10 DHCDRO CCOc1cccc(C[NH2+]C2CCC(OC(C)C)CC2)c1O ZINC000130113743 1024131400 /nfs/dbraw/zinc/13/14/00/1024131400.db2.gz CTSKNLUIFOKYPY-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)c1O ZINC000130302828 1024151340 /nfs/dbraw/zinc/15/13/40/1024151340.db2.gz VSCCTAYXBLBOBI-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130365431 1024155286 /nfs/dbraw/zinc/15/52/86/1024155286.db2.gz QFAFIIMDIDQTMW-RBUKOAKNSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000268844108 1024176387 /nfs/dbraw/zinc/17/63/87/1024176387.db2.gz VAAMNXXJLAZMBW-KDOFPFPSSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268976136 1024208996 /nfs/dbraw/zinc/20/89/96/1024208996.db2.gz AXMVWTLEVWIBIB-SJORKVTESA-N 1 0 304.478 3.879 20 10 DHCDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CC[C@@H](C)C1 ZINC000790476865 1024308145 /nfs/dbraw/zinc/30/81/45/1024308145.db2.gz FDVWZHALFPJFEF-ZBFHGGJFSA-N 1 0 314.429 3.577 20 10 DHCDRO C[C@H]([NH2+]CCc1ccns1)c1cc2c(cc1O)CCCC2 ZINC000883247801 1024317318 /nfs/dbraw/zinc/31/73/18/1024317318.db2.gz WZRGFTOERPSJRF-LBPRGKRZSA-N 1 0 302.443 3.621 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276042 1024347241 /nfs/dbraw/zinc/34/72/41/1024347241.db2.gz FHXCZLDOIAMAPI-XJKSGUPXSA-N 1 0 323.820 3.531 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)c(O)c1 ZINC000877023555 1033209908 /nfs/dbraw/zinc/20/99/08/1033209908.db2.gz WJOOHMRQSDDITI-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO COCc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000271054342 1024449118 /nfs/dbraw/zinc/44/91/18/1024449118.db2.gz RRKHNBSIIXDDTC-UHFFFAOYSA-N 1 0 314.429 3.657 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000132202699 1024461558 /nfs/dbraw/zinc/46/15/58/1024461558.db2.gz XWZSFMFYYWSALL-KXBFYZLASA-N 1 0 302.462 3.832 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]CCCSc2nccs2)C(C)(C)O1 ZINC000132292649 1024467141 /nfs/dbraw/zinc/46/71/41/1024467141.db2.gz NJDSGNXLYOSUQO-LLVKDONJSA-N 1 0 300.493 3.561 20 10 DHCDRO CC1(C)C[C@H]([NH2+]CCCSc2nccs2)C(C)(C)O1 ZINC000132292431 1024468248 /nfs/dbraw/zinc/46/82/48/1024468248.db2.gz NJDSGNXLYOSUQO-NSHDSACASA-N 1 0 300.493 3.561 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000271481319 1024517511 /nfs/dbraw/zinc/51/75/11/1024517511.db2.gz JAUUTPKRQYSBAD-FUHWJXTLSA-N 1 0 302.462 3.895 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2nccs2)cc1 ZINC000271520509 1024529255 /nfs/dbraw/zinc/52/92/55/1024529255.db2.gz QINMPLARDPSLON-AWEZNQCLSA-N 1 0 303.475 3.883 20 10 DHCDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000133227739 1024587119 /nfs/dbraw/zinc/58/71/19/1024587119.db2.gz JNYOUMHUKQMZNC-UHFFFAOYSA-N 1 0 314.223 3.538 20 10 DHCDRO Nc1c(Cl)cccc1C[NH2+]CCCSc1nccs1 ZINC000877061600 1033222235 /nfs/dbraw/zinc/22/22/35/1033222235.db2.gz MQBGYQJNCNLWQT-UHFFFAOYSA-N 1 0 313.879 3.651 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)c1c(F)cccc1F ZINC000877063200 1033222741 /nfs/dbraw/zinc/22/27/41/1033222741.db2.gz GFTDFHPKPHWIBH-MAUKXSAKSA-N 1 0 321.367 3.581 20 10 DHCDRO COc1cc(C[N@@H+]2CCSC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000792722368 1024783443 /nfs/dbraw/zinc/78/34/43/1024783443.db2.gz LMLCFCBMOPHHNJ-CYBMUJFWSA-N 1 0 323.502 3.883 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccn2)c(C(F)(F)F)c1 ZINC000793075956 1024878259 /nfs/dbraw/zinc/87/82/59/1024878259.db2.gz IEKGJPRXIYLJJP-UHFFFAOYSA-N 1 0 323.362 3.798 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793231291 1024944886 /nfs/dbraw/zinc/94/48/86/1024944886.db2.gz MBJZJWZEFUKNNL-JQWIXIFHSA-N 1 0 303.324 3.564 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(F)(F)CC2)cc1F ZINC000793361454 1025002498 /nfs/dbraw/zinc/00/24/98/1025002498.db2.gz HIAMKHXTWMOEIY-UHFFFAOYSA-N 1 0 300.368 3.903 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cc1OC ZINC000793369736 1025007460 /nfs/dbraw/zinc/00/74/60/1025007460.db2.gz LCVGJENQDSMYPH-AWEZNQCLSA-N 1 0 307.434 3.668 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000793350762 1025021021 /nfs/dbraw/zinc/02/10/21/1025021021.db2.gz HEUAUFPSMSWECG-PBHICJAKSA-N 1 0 315.388 3.966 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793566408 1025104536 /nfs/dbraw/zinc/10/45/36/1025104536.db2.gz FNJGRZAHPMDADP-AWEZNQCLSA-N 1 0 308.429 3.522 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1c1cccnc1 ZINC000793566314 1025106561 /nfs/dbraw/zinc/10/65/61/1025106561.db2.gz AEHPSQMKGNATOH-IBGZPJMESA-N 1 0 319.408 3.919 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000825939865 1033261836 /nfs/dbraw/zinc/26/18/36/1033261836.db2.gz IMHMFEHWWAGGKA-YVEFUNNKSA-N 1 0 305.805 3.566 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793745831 1025163470 /nfs/dbraw/zinc/16/34/70/1025163470.db2.gz TZRUDCMJCDJQBJ-QGZVFWFLSA-N 1 0 311.425 3.794 20 10 DHCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000135460216 1025235299 /nfs/dbraw/zinc/23/52/99/1025235299.db2.gz AFMYCJASUNZTIT-ZDUSSCGKSA-N 1 0 313.850 3.576 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C2CCOCC2)c1 ZINC000897445217 1025341025 /nfs/dbraw/zinc/34/10/25/1025341025.db2.gz DHFMSIZGRXHQDP-ZDUSSCGKSA-N 1 0 307.434 3.504 20 10 DHCDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC001168240616 1025371171 /nfs/dbraw/zinc/37/11/71/1025371171.db2.gz BDBSWIVUHBLCSP-KSSFIOAISA-N 1 0 310.441 3.579 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000825949539 1033276676 /nfs/dbraw/zinc/27/66/76/1033276676.db2.gz WSVPFVLDYMQIAW-IRXDYDNUSA-N 1 0 321.848 3.888 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000877350016 1033286898 /nfs/dbraw/zinc/28/68/98/1033286898.db2.gz GLIPFRQAVKSMTH-UHFFFAOYSA-N 1 0 307.397 3.675 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(C)cc1O ZINC000279933186 1025510916 /nfs/dbraw/zinc/51/09/16/1025510916.db2.gz AWHMHYXNNHQRIP-WMZOPIPTSA-N 1 0 303.377 3.614 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2O)c1OC ZINC000886186123 1025550548 /nfs/dbraw/zinc/55/05/48/1025550548.db2.gz QKZSUHDDCWLZOW-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000886344437 1025596250 /nfs/dbraw/zinc/59/62/50/1025596250.db2.gz DYMNWHIWQVFNPX-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000894045650 1025670400 /nfs/dbraw/zinc/67/04/00/1025670400.db2.gz ICEVOCHLPLYOJL-YQVWRLOYSA-N 1 0 302.462 3.567 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1F ZINC000924861942 1025740629 /nfs/dbraw/zinc/74/06/29/1025740629.db2.gz MKLIUTROOYVZJZ-OAHLLOKOSA-N 1 0 319.811 3.717 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132734 1025777765 /nfs/dbraw/zinc/77/77/65/1025777765.db2.gz YYYXNOGWZJCEAN-XJKSGUPXSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000806132509 1025778604 /nfs/dbraw/zinc/77/86/04/1025778604.db2.gz WYFWVGUXHOCHHJ-KKBFJZEXSA-N 1 0 320.452 3.718 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000806132005 1025795260 /nfs/dbraw/zinc/79/52/60/1025795260.db2.gz QWLHKQGAPSQLFX-QZTJIDSGSA-N 1 0 302.487 3.518 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CCO)cc1 ZINC000236961824 1025863449 /nfs/dbraw/zinc/86/34/49/1025863449.db2.gz JMCMYMHAIYLKOP-QGZVFWFLSA-N 1 0 312.457 3.574 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000236960938 1025864804 /nfs/dbraw/zinc/86/48/04/1025864804.db2.gz YSEKUHZOHIHMFA-UHFFFAOYSA-N 1 0 312.457 3.574 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000236961873 1025865467 /nfs/dbraw/zinc/86/54/67/1025865467.db2.gz REQWKHXXWLDLFS-QGZVFWFLSA-N 1 0 312.457 3.838 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513452 1026056430 /nfs/dbraw/zinc/05/64/30/1026056430.db2.gz JPAJVCKLBYYBIF-AWEZNQCLSA-N 1 0 313.401 3.902 20 10 DHCDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090773070 1026084241 /nfs/dbraw/zinc/08/42/41/1026084241.db2.gz QMCYCUIAEIAUAE-AWEZNQCLSA-N 1 0 318.436 3.503 20 10 DHCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093838693 1026127551 /nfs/dbraw/zinc/12/75/51/1026127551.db2.gz XFPRQQOTOXARRL-SFHVURJKSA-N 1 0 302.462 3.535 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(OC)cc1 ZINC000894142488 1026161529 /nfs/dbraw/zinc/16/15/29/1026161529.db2.gz MBPPYGHFCQKUHN-QGZVFWFLSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1C(C)C ZINC000808191515 1026225556 /nfs/dbraw/zinc/22/55/56/1026225556.db2.gz MSIJMAXQWMIBTI-LPHOPBHVSA-N 1 0 316.489 3.883 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000808451486 1026291932 /nfs/dbraw/zinc/29/19/32/1026291932.db2.gz QEOUPSQTWXFEOT-QGZVFWFLSA-N 1 0 310.441 3.799 20 10 DHCDRO c1ccc2c(c1)OC[C@H]2C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000808451287 1026291993 /nfs/dbraw/zinc/29/19/93/1026291993.db2.gz LAVUOWGMTGUORY-GOSISDBHSA-N 1 0 322.452 3.943 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(O)cc2)c1O ZINC000808682316 1026348390 /nfs/dbraw/zinc/34/83/90/1026348390.db2.gz OGNZKWNDAMLXGM-LBPRGKRZSA-N 1 0 305.805 3.953 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1O ZINC000808675366 1026353833 /nfs/dbraw/zinc/35/38/33/1026353833.db2.gz DQORIXCLMYVXIP-XHDPSFHLSA-N 1 0 319.836 3.816 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C)cc1O ZINC000279972220 1026357372 /nfs/dbraw/zinc/35/73/72/1026357372.db2.gz DAWWECXGIWMCAO-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1O ZINC000808727755 1026358869 /nfs/dbraw/zinc/35/88/69/1026358869.db2.gz JMMRHXFOJDIUEH-NVXWUHKLSA-N 1 0 315.388 3.884 20 10 DHCDRO Cc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808717356 1026365101 /nfs/dbraw/zinc/36/51/01/1026365101.db2.gz CQXNUCNIAMBAMH-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1O ZINC000808699410 1026372399 /nfs/dbraw/zinc/37/23/99/1026372399.db2.gz YBYGKNHSXIJMFD-NSHDSACASA-N 1 0 313.825 3.736 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1O ZINC000808699407 1026373313 /nfs/dbraw/zinc/37/33/13/1026373313.db2.gz YBYGKNHSXIJMFD-LLVKDONJSA-N 1 0 313.825 3.736 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000808699152 1026375243 /nfs/dbraw/zinc/37/52/43/1026375243.db2.gz UKSKLSBREDLSTA-RISCZKNCSA-N 1 0 309.793 3.640 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1O ZINC000808702258 1026376049 /nfs/dbraw/zinc/37/60/49/1026376049.db2.gz URDAVAWXYLCULP-CMPLNLGQSA-N 1 0 317.907 3.853 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(C)(C)O)cc1 ZINC000924901685 1026489465 /nfs/dbraw/zinc/48/94/65/1026489465.db2.gz SXOPUPNGESZFCN-AWEZNQCLSA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809701569 1026589999 /nfs/dbraw/zinc/58/99/99/1026589999.db2.gz GVZJUTRCSQZNII-SCLBCKFNSA-N 1 0 319.832 3.874 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000809713575 1026602143 /nfs/dbraw/zinc/60/21/43/1026602143.db2.gz UAQGPRSJYVOABS-ZIAGYGMSSA-N 1 0 310.235 3.823 20 10 DHCDRO Cc1cccc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774734 1026607814 /nfs/dbraw/zinc/60/78/14/1026607814.db2.gz YHFSPKGQVIWSNS-IRXDYDNUSA-N 1 0 313.441 3.687 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738135 1026609635 /nfs/dbraw/zinc/60/96/35/1026609635.db2.gz QRMGWWLXMTUZND-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3C(C)(C)C3(C)C)CC2)cc1 ZINC000809755814 1026618052 /nfs/dbraw/zinc/61/80/52/1026618052.db2.gz PXGCXPMRIJIIMO-UHFFFAOYSA-N 1 0 302.462 3.688 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(C)cc1O ZINC000280227110 1026618182 /nfs/dbraw/zinc/61/81/82/1026618182.db2.gz VBQKMBWFGBZAAR-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(C)cc1O ZINC000280227106 1026618389 /nfs/dbraw/zinc/61/83/89/1026618389.db2.gz VBQKMBWFGBZAAR-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809788050 1026625485 /nfs/dbraw/zinc/62/54/85/1026625485.db2.gz MGQXAAIUEHBWFB-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000809787249 1026626318 /nfs/dbraw/zinc/62/63/18/1026626318.db2.gz XDYUBWQDITVFEN-LBPRGKRZSA-N 1 0 310.235 3.777 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c1 ZINC000809789817 1026627471 /nfs/dbraw/zinc/62/74/71/1026627471.db2.gz ICHIDKZXZPQINK-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CC[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000810159984 1026697933 /nfs/dbraw/zinc/69/79/33/1026697933.db2.gz PLTRALITGPRDQG-NRFANRHFSA-N 1 0 324.468 3.720 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810214850 1026707517 /nfs/dbraw/zinc/70/75/17/1026707517.db2.gz KDNAPBCQPPKGFL-JSGCOSHPSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810214852 1026707656 /nfs/dbraw/zinc/70/76/56/1026707656.db2.gz KDNAPBCQPPKGFL-TZMCWYRMSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218863 1026709113 /nfs/dbraw/zinc/70/91/13/1026709113.db2.gz DUYNTHWJQIRRQP-KBPBESRZSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218478 1026709325 /nfs/dbraw/zinc/70/93/25/1026709325.db2.gz UMCLMPHHYORMEE-UKRRQHHQSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218965 1026709712 /nfs/dbraw/zinc/70/97/12/1026709712.db2.gz YPPBODHCXIIOHB-UKRRQHHQSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000810218419 1026709958 /nfs/dbraw/zinc/70/99/58/1026709958.db2.gz TVIIXCMDWIEPPE-BFHYXJOUSA-N 1 0 317.351 3.755 20 10 DHCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810237786 1026724889 /nfs/dbraw/zinc/72/48/89/1026724889.db2.gz WFQLTLKXOSXLLB-CRFLGQKZSA-N 1 0 317.351 3.779 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000810246917 1026729266 /nfs/dbraw/zinc/72/92/66/1026729266.db2.gz HIEVCQZTUUOYDR-NDXORKPFSA-N 1 0 324.468 3.569 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810245324 1026730098 /nfs/dbraw/zinc/73/00/98/1026730098.db2.gz YXUIZZPSDBOWNU-UMVBOHGHSA-N 1 0 308.441 3.790 20 10 DHCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000810253692 1026730910 /nfs/dbraw/zinc/73/09/10/1026730910.db2.gz APCBNTOVGZJDBF-HUUCEWRRSA-N 1 0 304.478 3.650 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810256830 1026732050 /nfs/dbraw/zinc/73/20/50/1026732050.db2.gz DTYXAGQORDIMQQ-ILXRZTDVSA-N 1 0 308.441 3.890 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894246231 1026771288 /nfs/dbraw/zinc/77/12/88/1026771288.db2.gz KGXOCYBBSTZTHI-ZDUSSCGKSA-N 1 0 306.431 3.715 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2cccc(F)c2)c1O ZINC000894265786 1027095597 /nfs/dbraw/zinc/09/55/97/1027095597.db2.gz HAIRCFQPQCKNQW-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3cc(C)c(C)cc3O)nc21 ZINC000271852909 1027164922 /nfs/dbraw/zinc/16/49/22/1027164922.db2.gz UENGAQUFOUGXIJ-UHFFFAOYSA-N 1 0 310.397 3.791 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000271874288 1027169428 /nfs/dbraw/zinc/16/94/28/1027169428.db2.gz XHFYHUGUSTXOEA-PIGZYNQJSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)c1O ZINC001170670031 1027215832 /nfs/dbraw/zinc/21/58/32/1027215832.db2.gz PERLUPVHWDLQPM-OAHLLOKOSA-N 1 0 303.352 3.626 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(C)cc1O ZINC000812738734 1027381501 /nfs/dbraw/zinc/38/15/01/1027381501.db2.gz ZVSJIEWQAHKHHZ-KRWDZBQOSA-N 1 0 309.413 3.828 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000812780905 1027405227 /nfs/dbraw/zinc/40/52/27/1027405227.db2.gz BEVURRSOTVRTNW-KGLIPLIRSA-N 1 0 317.351 3.954 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811479 1027439330 /nfs/dbraw/zinc/43/93/30/1027439330.db2.gz ACKAQQLBMTZZEJ-CVEARBPZSA-N 1 0 301.430 3.851 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296266855 1027593167 /nfs/dbraw/zinc/59/31/67/1027593167.db2.gz DLZOITYFIJDGTL-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO COc1ccc([C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331858 1027608232 /nfs/dbraw/zinc/60/82/32/1027608232.db2.gz WWSILFQCTWLVBN-UONOGXRCSA-N 1 0 315.413 3.864 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000296496508 1027653810 /nfs/dbraw/zinc/65/38/10/1027653810.db2.gz QUIDXRWNIZARBX-INIZCTEOSA-N 1 0 316.470 3.511 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000296525463 1027661066 /nfs/dbraw/zinc/66/10/66/1027661066.db2.gz RIFHVFJXAODJBY-SCTDSRPQSA-N 1 0 309.409 3.889 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000813791695 1027712573 /nfs/dbraw/zinc/71/25/73/1027712573.db2.gz HVRMPYNHAHAQRH-CQSZACIVSA-N 1 0 320.795 3.553 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000813792040 1027714959 /nfs/dbraw/zinc/71/49/59/1027714959.db2.gz PDEIJBQHBXJLEA-GFCCVEGCSA-N 1 0 320.795 3.553 20 10 DHCDRO Oc1ccc(F)cc1CN1CCN(c2ccccc2Cl)CC1 ZINC000778989177 1027725673 /nfs/dbraw/zinc/72/56/73/1027725673.db2.gz STYUJLTUPDYKBN-UHFFFAOYSA-N 1 0 320.795 3.507 20 10 DHCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(F)ccc1O ZINC000778995335 1027733941 /nfs/dbraw/zinc/73/39/41/1027733941.db2.gz VEPRHCUSSACJRE-UHFFFAOYSA-N 1 0 319.376 3.571 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000813883495 1027749701 /nfs/dbraw/zinc/74/97/01/1027749701.db2.gz NRKMDCHWOMYVFA-YOEHRIQHSA-N 1 0 314.404 3.851 20 10 DHCDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000813883969 1027749773 /nfs/dbraw/zinc/74/97/73/1027749773.db2.gz YTZZDYXMKQYXHN-SNVBAGLBSA-N 1 0 310.191 3.907 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001283 1027752001 /nfs/dbraw/zinc/75/20/01/1027752001.db2.gz DZVRXESVPUHIBI-AZUAARDMSA-N 1 0 311.425 3.992 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)CC(C)(C)C)cc2)CC1 ZINC000297006023 1027779260 /nfs/dbraw/zinc/77/92/60/1027779260.db2.gz GDDOFBNXAGYPCG-UHFFFAOYSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CC2 ZINC000297083230 1027792133 /nfs/dbraw/zinc/79/21/33/1027792133.db2.gz WXKFBUFGHZTVJK-HNNXBMFYSA-N 1 0 319.351 3.813 20 10 DHCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000297416403 1027806571 /nfs/dbraw/zinc/80/65/71/1027806571.db2.gz UJITWISPZJHJSI-HOTGVXAUSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@H]1C[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC000779015113 1027817502 /nfs/dbraw/zinc/81/75/02/1027817502.db2.gz MYYBRUAYDAYNPL-JKSUJKDBSA-N 1 0 303.446 3.952 20 10 DHCDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000779021167 1027870241 /nfs/dbraw/zinc/87/02/41/1027870241.db2.gz XOGQEJHXKJPFHC-GOSISDBHSA-N 1 0 314.404 3.934 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2cccc(OC)c2O)cc1F ZINC000527780033 1027879812 /nfs/dbraw/zinc/87/98/12/1027879812.db2.gz ARRGMMOTNBVIOI-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000778215663 1027905410 /nfs/dbraw/zinc/90/54/10/1027905410.db2.gz CBCZQUZKAKAEHZ-QUCCMNQESA-N 1 0 318.505 3.954 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000779028829 1027927113 /nfs/dbraw/zinc/92/71/13/1027927113.db2.gz BOPODFDJZWZPJX-CQSZACIVSA-N 1 0 321.779 3.838 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)OC)c1 ZINC000527923894 1027951725 /nfs/dbraw/zinc/95/17/25/1027951725.db2.gz FDKQIPSPAQXUED-KUHUBIRLSA-N 1 0 315.413 3.748 20 10 DHCDRO CN1CCCc2cc(C[NH2+]C3CC(OC(C)(C)C)C3)ccc21 ZINC000779044517 1028019817 /nfs/dbraw/zinc/01/98/17/1028019817.db2.gz XEAGLOFRWFKBLH-UHFFFAOYSA-N 1 0 302.462 3.505 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c(O)c1C ZINC000779082153 1028194961 /nfs/dbraw/zinc/19/49/61/1028194961.db2.gz JAQAQIOALYUJGS-OAHLLOKOSA-N 1 0 324.424 3.831 20 10 DHCDRO c1ccc(CN2CCc3cc(C[NH2+]C4CCOCC4)ccc32)cc1 ZINC000367530419 1028198565 /nfs/dbraw/zinc/19/85/65/1028198565.db2.gz DQHSCXKSNVRIIZ-UHFFFAOYSA-N 1 0 322.452 3.518 20 10 DHCDRO CCOc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170765476 1028209273 /nfs/dbraw/zinc/20/92/73/1028209273.db2.gz UQLYUSAUQJLRFD-LUPIEILUSA-N 1 0 314.473 3.642 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000779091898 1028224099 /nfs/dbraw/zinc/22/40/99/1028224099.db2.gz YZFHDZAZAJZZMV-PWSUYJOCSA-N 1 0 305.315 3.990 20 10 DHCDRO CC[C@H](COC)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220044 1028239287 /nfs/dbraw/zinc/23/92/87/1028239287.db2.gz ZXUCXLKDPOYSAC-DGCLKSJQSA-N 1 0 305.340 3.877 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1O ZINC000367958430 1028266230 /nfs/dbraw/zinc/26/62/30/1028266230.db2.gz QYWZZCNUKLBLCQ-DIFFPNOSSA-N 1 0 317.360 3.542 20 10 DHCDRO Cc1cccnc1C1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000368259629 1028326288 /nfs/dbraw/zinc/32/62/88/1028326288.db2.gz KVHHFCHWTZHZID-CYBMUJFWSA-N 1 0 300.377 3.617 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000368325857 1028334843 /nfs/dbraw/zinc/33/48/43/1028334843.db2.gz CUODSXNLSOABJC-CZUORRHYSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1cc(C[N@@H+](C[C@H](C)O)C2CCCCC2)ccc1N(C)C ZINC000815035012 1028338088 /nfs/dbraw/zinc/33/80/88/1028338088.db2.gz HBIHIAFDMOXUBF-INIZCTEOSA-N 1 0 304.478 3.577 20 10 DHCDRO Cc1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)ccc1N(C)C ZINC000815058540 1028344803 /nfs/dbraw/zinc/34/48/03/1028344803.db2.gz HWZGVMMUFFDYBH-OAQYLSRUSA-N 1 0 324.468 3.543 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)ccc1N(C)C ZINC000815112398 1028359944 /nfs/dbraw/zinc/35/99/44/1028359944.db2.gz PXXJOLANCHRAAA-FPOVZHCZSA-N 1 0 323.484 3.596 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000815120409 1028366298 /nfs/dbraw/zinc/36/62/98/1028366298.db2.gz RYGVEXZRRUJYFE-KRWDZBQOSA-N 1 0 304.478 3.841 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815150005 1028405079 /nfs/dbraw/zinc/40/50/79/1028405079.db2.gz JGOBHINULKGWGM-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000779148311 1028425474 /nfs/dbraw/zinc/42/54/74/1028425474.db2.gz BZBHKYPSRBSSIH-SJKOYZFVSA-N 1 0 305.805 3.911 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(c3ccccc3CO)CC2)c1O ZINC000369035978 1028437509 /nfs/dbraw/zinc/43/75/09/1028437509.db2.gz OYCRUKFJCLLUAT-UHFFFAOYSA-N 1 0 311.425 3.573 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769917 1028527038 /nfs/dbraw/zinc/52/70/38/1028527038.db2.gz CRTNFDAHPAQUGT-KSSFIOAISA-N 1 0 313.445 3.958 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000188783520 1028529817 /nfs/dbraw/zinc/52/98/17/1028529817.db2.gz SUEPTRUDBQWVSA-GJZGRUSLSA-N 1 0 313.445 3.958 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c(O)c1 ZINC000815557770 1028542632 /nfs/dbraw/zinc/54/26/32/1028542632.db2.gz DDBKHWXFTIGHJO-DLBZAZTESA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815582692 1028554907 /nfs/dbraw/zinc/55/49/07/1028554907.db2.gz MXOFFTSHSZFCNY-IEBWSBKVSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000815599356 1028564694 /nfs/dbraw/zinc/56/46/94/1028564694.db2.gz QUVGZPGMFSFCPW-YJBOKZPZSA-N 1 0 310.441 3.846 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000815619782 1028575401 /nfs/dbraw/zinc/57/54/01/1028575401.db2.gz XRTIZXBOGYKGFM-CVEARBPZSA-N 1 0 315.461 3.833 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1 ZINC000815627840 1028579019 /nfs/dbraw/zinc/57/90/19/1028579019.db2.gz LABKDSYDOOESND-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076361173 1028587462 /nfs/dbraw/zinc/58/74/62/1028587462.db2.gz GTAWLEICQKETLN-INIZCTEOSA-N 1 0 302.462 3.834 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cc[nH]c(=O)c1 ZINC000815643161 1028589193 /nfs/dbraw/zinc/58/91/93/1028589193.db2.gz VONGIPHOIDKXFS-BREBYQMCSA-N 1 0 302.349 3.531 20 10 DHCDRO COCC1(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000815642346 1028589940 /nfs/dbraw/zinc/58/99/40/1028589940.db2.gz ZMQXVBPPNGWBME-JSGCOSHPSA-N 1 0 307.409 3.876 20 10 DHCDRO CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000815647649 1028592836 /nfs/dbraw/zinc/59/28/36/1028592836.db2.gz QPNFQOKXDIHSDB-QGZVFWFLSA-N 1 0 308.441 3.838 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000190051608 1028745434 /nfs/dbraw/zinc/74/54/34/1028745434.db2.gz XGPZJTXLFIADGR-APWZRJJASA-N 1 0 304.478 3.516 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)Cc1ccsc1 ZINC000190259134 1028863734 /nfs/dbraw/zinc/86/37/34/1028863734.db2.gz QOURYKIPHYAFPU-ZDUSSCGKSA-N 1 0 305.443 3.915 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816528617 1028918032 /nfs/dbraw/zinc/91/80/32/1028918032.db2.gz KMRPAEONGRYNET-UHFFFAOYSA-N 1 0 309.413 3.539 20 10 DHCDRO CN(CC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816532997 1028924057 /nfs/dbraw/zinc/92/40/57/1028924057.db2.gz FPRIOGVAWMPGBW-UHFFFAOYSA-N 1 0 306.409 3.771 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816549869 1028928350 /nfs/dbraw/zinc/92/83/50/1028928350.db2.gz AQQRZMLQBCRVBC-GOSISDBHSA-N 1 0 319.408 3.811 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc2ccccc21 ZINC000816528904 1028936509 /nfs/dbraw/zinc/93/65/09/1028936509.db2.gz XCNJEBNAPPVYQW-GOSISDBHSA-N 1 0 311.356 3.508 20 10 DHCDRO Cc1nccn1CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816553342 1028942304 /nfs/dbraw/zinc/94/23/04/1028942304.db2.gz RKHSMMZDGHQKST-UHFFFAOYSA-N 1 0 309.413 3.620 20 10 DHCDRO CCc1cnc(CC[NH2+]Cc2ccc3ccccc3c2O)s1 ZINC000816555083 1028943253 /nfs/dbraw/zinc/94/32/53/1028943253.db2.gz SUCDXPFLYMLNNB-UHFFFAOYSA-N 1 0 312.438 3.897 20 10 DHCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816560279 1028946680 /nfs/dbraw/zinc/94/66/80/1028946680.db2.gz KKSDFLPXZHJAQC-HNNXBMFYSA-N 1 0 313.441 3.824 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566154 1028949166 /nfs/dbraw/zinc/94/91/66/1028949166.db2.gz MLGDJQMMGQRORZ-CQSZACIVSA-N 1 0 307.340 3.749 20 10 DHCDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816610601 1028959183 /nfs/dbraw/zinc/95/91/83/1028959183.db2.gz QTYMDAQNQOHULX-QGZVFWFLSA-N 1 0 320.392 3.813 20 10 DHCDRO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816610048 1028959220 /nfs/dbraw/zinc/95/92/20/1028959220.db2.gz WKUOGVJKJDFBCF-BEFAXECRSA-N 1 0 310.441 3.604 20 10 DHCDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816610600 1028960213 /nfs/dbraw/zinc/96/02/13/1028960213.db2.gz QTYMDAQNQOHULX-KRWDZBQOSA-N 1 0 320.392 3.813 20 10 DHCDRO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816610049 1028960337 /nfs/dbraw/zinc/96/03/37/1028960337.db2.gz WKUOGVJKJDFBCF-DNVCBOLYSA-N 1 0 310.441 3.604 20 10 DHCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816615828 1028963884 /nfs/dbraw/zinc/96/38/84/1028963884.db2.gz HBUIMFYLQPSNSG-SFHVURJKSA-N 1 0 319.404 3.947 20 10 DHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)CCC2 ZINC000373254865 1028989198 /nfs/dbraw/zinc/98/91/98/1028989198.db2.gz HDUSQRWOYWURQH-CHWSQXEVSA-N 1 0 319.836 3.779 20 10 DHCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000778639019 1029054824 /nfs/dbraw/zinc/05/48/24/1029054824.db2.gz KFRMWQVEIQDSMR-UHFFFAOYSA-N 1 0 320.820 3.908 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cc(F)ccc1O ZINC000373563663 1029079656 /nfs/dbraw/zinc/07/96/56/1029079656.db2.gz POUFJJJALGGQPU-NSHDSACASA-N 1 0 306.406 3.506 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cc(F)ccc1O ZINC000373563661 1029080791 /nfs/dbraw/zinc/08/07/91/1029080791.db2.gz POUFJJJALGGQPU-LLVKDONJSA-N 1 0 306.406 3.506 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000190698188 1029116455 /nfs/dbraw/zinc/11/64/55/1029116455.db2.gz ZKMYTBIEYSVAPQ-UHFFFAOYSA-N 1 0 310.441 3.831 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000817410288 1029150636 /nfs/dbraw/zinc/15/06/36/1029150636.db2.gz KWLSMQSAPSCRCK-CYBMUJFWSA-N 1 0 311.878 3.977 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccc(N(C)C)cc1 ZINC000817584102 1029212582 /nfs/dbraw/zinc/21/25/82/1029212582.db2.gz RQYWSEPMSIZTMT-YJBOKZPZSA-N 1 0 309.457 3.746 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155358758 1029227285 /nfs/dbraw/zinc/22/72/85/1029227285.db2.gz JTFHZOYWKOPTQD-GJZGRUSLSA-N 1 0 300.402 3.528 20 10 DHCDRO CN(Cc1nnc(-c2ccccc2)s1)Cc1ccccc1O ZINC000155553595 1029250062 /nfs/dbraw/zinc/25/00/62/1029250062.db2.gz YNOFEWQUNIMIPU-UHFFFAOYSA-N 1 0 311.410 3.543 20 10 DHCDRO CCN(CC)c1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817888600 1029264358 /nfs/dbraw/zinc/26/43/58/1029264358.db2.gz MWKNOEQEWZDMBT-WOJBJXKFSA-N 1 0 309.457 3.767 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817934794 1029279749 /nfs/dbraw/zinc/27/97/49/1029279749.db2.gz PGJKFTNIYQMKRX-RVHYNSKXSA-N 1 0 323.484 3.726 20 10 DHCDRO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817939671 1029281814 /nfs/dbraw/zinc/28/18/14/1029281814.db2.gz AJTRJFYRPUYJIU-CQSZACIVSA-N 1 0 317.260 3.739 20 10 DHCDRO Cc1cccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000817941095 1029282340 /nfs/dbraw/zinc/28/23/40/1029282340.db2.gz IUXTZEBIDQFUDN-JXFKEZNVSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000817938049 1029284484 /nfs/dbraw/zinc/28/44/84/1029284484.db2.gz CKTWTVSTCDOSLU-JXFKEZNVSA-N 1 0 311.473 3.720 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CCS2 ZINC000817956705 1029296565 /nfs/dbraw/zinc/29/65/65/1029296565.db2.gz AWBHTBBISPWIJE-QGZVFWFLSA-N 1 0 314.454 3.647 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1OC(F)F ZINC000817956462 1029296854 /nfs/dbraw/zinc/29/68/54/1029296854.db2.gz ZWDVNEJCLHJDRH-LBPRGKRZSA-N 1 0 306.356 3.764 20 10 DHCDRO COc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)ccc1SC ZINC000817956039 1029298708 /nfs/dbraw/zinc/29/87/08/1029298708.db2.gz OHZKBMNVCDTCPG-ZDUSSCGKSA-N 1 0 316.470 3.893 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817960629 1029299430 /nfs/dbraw/zinc/29/94/30/1029299430.db2.gz OLSAWBJGEGWEMR-MISXGVKJSA-N 1 0 316.367 3.579 20 10 DHCDRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817960486 1029299451 /nfs/dbraw/zinc/29/94/51/1029299451.db2.gz ZQMUFGBUBNACAH-WMZOPIPTSA-N 1 0 303.494 3.701 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000817967214 1029308039 /nfs/dbraw/zinc/30/80/39/1029308039.db2.gz FQAUKAVIWUORKA-PIGZYNQJSA-N 1 0 300.377 3.842 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000817967462 1029308230 /nfs/dbraw/zinc/30/82/30/1029308230.db2.gz JFLSMEOCWVJHDK-XIKOKIGWSA-N 1 0 312.413 3.711 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817976764 1029313510 /nfs/dbraw/zinc/31/35/10/1029313510.db2.gz SXFSRLATRDXDKI-MNOVXSKESA-N 1 0 304.356 3.579 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1 ZINC000817975537 1029314595 /nfs/dbraw/zinc/31/45/95/1029314595.db2.gz WISGDVXSOXOBIW-MAUKXSAKSA-N 1 0 310.441 3.547 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1[O-] ZINC000817984015 1029324377 /nfs/dbraw/zinc/32/43/77/1029324377.db2.gz UVUMQUJIGBNQIF-DYVFJYSZSA-N 1 0 302.393 3.662 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCc4ccccc43)C2)cc1 ZINC000818116638 1029335546 /nfs/dbraw/zinc/33/55/46/1029335546.db2.gz NTRPIZDGWNTKIU-IIBYNOLFSA-N 1 0 322.452 3.799 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C2)cc1 ZINC000818341706 1029371976 /nfs/dbraw/zinc/37/19/76/1029371976.db2.gz DIQISQHXTPJWME-HZPDHXFCSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818356372 1029384202 /nfs/dbraw/zinc/38/42/02/1029384202.db2.gz NTYYKRFZKPDCLU-JBBXEZCESA-N 1 0 301.361 3.689 20 10 DHCDRO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000156157850 1029397695 /nfs/dbraw/zinc/39/76/95/1029397695.db2.gz ZRSTVRHSPVSIOP-HNNXBMFYSA-N 1 0 322.456 3.912 20 10 DHCDRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n[nH]1 ZINC000121180444 1029539670 /nfs/dbraw/zinc/53/96/70/1029539670.db2.gz JMLHLIJVFCBPST-GOSISDBHSA-N 1 0 324.472 3.780 20 10 DHCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000828013851 1029711152 /nfs/dbraw/zinc/71/11/52/1029711152.db2.gz MHBLMFXSASOJLW-UHFFFAOYSA-N 1 0 321.424 3.853 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000865531330 1029903221 /nfs/dbraw/zinc/90/32/21/1029903221.db2.gz IGYACVVQZRAHCI-LBPRGKRZSA-N 1 0 305.372 3.936 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290187396 1029936012 /nfs/dbraw/zinc/93/60/12/1029936012.db2.gz OHSHIMTUQMIFBP-OAHLLOKOSA-N 1 0 309.768 3.662 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530385 1030043519 /nfs/dbraw/zinc/04/35/19/1030043519.db2.gz ZMVQXOABDSBUQP-QGZVFWFLSA-N 1 0 321.848 3.827 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529554 1030043724 /nfs/dbraw/zinc/04/37/24/1030043724.db2.gz FOJNUTTXTWFFFO-KRWDZBQOSA-N 1 0 321.848 3.827 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832179 1030047531 /nfs/dbraw/zinc/04/75/31/1030047531.db2.gz KFUWGTMSXRUIQM-ZIAGYGMSSA-N 1 0 315.335 3.778 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000924573895 1030126710 /nfs/dbraw/zinc/12/67/10/1030126710.db2.gz LFMCAQFIRKPRKK-INIZCTEOSA-N 1 0 301.821 3.578 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000924708525 1030168957 /nfs/dbraw/zinc/16/89/57/1030168957.db2.gz QXTWWKGWVDDJLC-ZDUSSCGKSA-N 1 0 319.499 3.547 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000823414534 1030270248 /nfs/dbraw/zinc/27/02/48/1030270248.db2.gz UTOVWFPCVQGIQG-UHFFFAOYSA-N 1 0 316.470 3.607 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)o1 ZINC000866477971 1030312509 /nfs/dbraw/zinc/31/25/09/1030312509.db2.gz HERSKTVOQKEUHG-JTQLQIEISA-N 1 0 310.191 3.907 20 10 DHCDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(C)cc1OC ZINC000823532737 1030313790 /nfs/dbraw/zinc/31/37/90/1030313790.db2.gz AJBHXTIOICRFDH-UHFFFAOYSA-N 1 0 314.429 3.686 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c(O)c1 ZINC000866479095 1030315885 /nfs/dbraw/zinc/31/58/85/1030315885.db2.gz OZLRFKOOTITQFI-OAHLLOKOSA-N 1 0 311.425 3.933 20 10 DHCDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1O ZINC000866482670 1030318886 /nfs/dbraw/zinc/31/88/86/1030318886.db2.gz ZYBFHXKJQSEHJZ-DYVFJYSZSA-N 1 0 307.409 3.921 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000866510219 1030335121 /nfs/dbraw/zinc/33/51/21/1030335121.db2.gz LDTZRJKJAQHINI-UCLAIMLFSA-N 1 0 302.462 3.608 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000121107311 1030344439 /nfs/dbraw/zinc/34/44/39/1030344439.db2.gz OHPXZFXWMCYMKM-GOSISDBHSA-N 1 0 307.397 3.819 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSCCC(F)(F)F)c1 ZINC000866542597 1030361562 /nfs/dbraw/zinc/36/15/62/1030361562.db2.gz FUBCOCYDHULZJM-JTQLQIEISA-N 1 0 323.380 3.737 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000291153351 1030366956 /nfs/dbraw/zinc/36/69/56/1030366956.db2.gz IMPJDBIOYDGLCJ-GJZGRUSLSA-N 1 0 314.404 3.708 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000823702651 1030368513 /nfs/dbraw/zinc/36/85/13/1030368513.db2.gz QIWUKQPODNVHJJ-MRXNPFEDSA-N 1 0 318.505 3.810 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612973 1030403315 /nfs/dbraw/zinc/40/33/15/1030403315.db2.gz QAZNJUPKUNANDY-HZPDHXFCSA-N 1 0 312.461 3.822 20 10 DHCDRO CCC[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823842866 1030410423 /nfs/dbraw/zinc/41/04/23/1030410423.db2.gz SIQIGNNMEFAOLP-QGZVFWFLSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000866623942 1030411535 /nfs/dbraw/zinc/41/15/35/1030411535.db2.gz WTVKWDBPZFJJBF-SUMWQHHRSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1O ZINC000866641046 1030418889 /nfs/dbraw/zinc/41/88/89/1030418889.db2.gz MUDKCLNSEUIGCJ-INIZCTEOSA-N 1 0 312.413 3.613 20 10 DHCDRO Fc1c(Cl)nccc1C[NH2+]CCCSc1nccs1 ZINC000823937790 1030439171 /nfs/dbraw/zinc/43/91/71/1030439171.db2.gz JRLNTJLCGPEPJJ-UHFFFAOYSA-N 1 0 317.842 3.603 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000824382399 1030544638 /nfs/dbraw/zinc/54/46/38/1030544638.db2.gz BSDYCNHDSHQYEA-LBPRGKRZSA-N 1 0 323.314 3.595 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H](C)CO ZINC000824438893 1030552803 /nfs/dbraw/zinc/55/28/03/1030552803.db2.gz CBUNNXLUQJJXPH-HNNXBMFYSA-N 1 0 318.486 3.587 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000824571651 1030585231 /nfs/dbraw/zinc/58/52/31/1030585231.db2.gz OYFOGSJZKMOJNR-MRXNPFEDSA-N 1 0 301.361 3.515 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1cccc(OC2CC2)c1F ZINC000824594123 1030591613 /nfs/dbraw/zinc/59/16/13/1030591613.db2.gz ZRPNDRDGQVOZSY-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000824602884 1030591953 /nfs/dbraw/zinc/59/19/53/1030591953.db2.gz FXVJGGQCALWSCU-CYBMUJFWSA-N 1 0 319.367 3.860 20 10 DHCDRO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(N(C)C)cc1 ZINC000926211138 1030657338 /nfs/dbraw/zinc/65/73/38/1030657338.db2.gz XLBIUQAZOFBUQI-ICXUMSERSA-N 1 0 302.462 3.751 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824941765 1030677780 /nfs/dbraw/zinc/67/77/80/1030677780.db2.gz QLTDLKKPQKNMQP-ZFWWWQNUSA-N 1 0 322.246 3.775 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1O ZINC000825090544 1030723798 /nfs/dbraw/zinc/72/37/98/1030723798.db2.gz BMILHDIEHFTBAU-SIXWZSSISA-N 1 0 312.413 3.748 20 10 DHCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3O)C2)c1 ZINC000825090791 1030724024 /nfs/dbraw/zinc/72/40/24/1030724024.db2.gz IACGPECMFJXFSD-SAZUREKKSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000825321165 1030775352 /nfs/dbraw/zinc/77/53/52/1030775352.db2.gz UAAHUWGDAXUHMD-APHBMKBZSA-N 1 0 309.837 3.647 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000825359053 1030787657 /nfs/dbraw/zinc/78/76/57/1030787657.db2.gz XIKWPCIYQVBKGB-XJKSGUPXSA-N 1 0 311.853 3.775 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1Cl ZINC000825394497 1030800284 /nfs/dbraw/zinc/80/02/84/1030800284.db2.gz AVACWPMLEYIVSC-XHDPSFHLSA-N 1 0 309.793 3.549 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1Cl ZINC000825489015 1030825576 /nfs/dbraw/zinc/82/55/76/1030825576.db2.gz BHSDSEVRWHHTPB-CQSZACIVSA-N 1 0 309.837 3.603 20 10 DHCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825489247 1030825897 /nfs/dbraw/zinc/82/58/97/1030825897.db2.gz GHKSACLUWSLIGP-CQSZACIVSA-N 1 0 323.820 3.684 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CC2 ZINC000122691228 1030827379 /nfs/dbraw/zinc/82/73/79/1030827379.db2.gz GUPDVVVOLUTHEZ-FQEVSTJZSA-N 1 0 310.441 3.847 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000926906729 1030982263 /nfs/dbraw/zinc/98/22/63/1030982263.db2.gz YTRAPBCUSSERNX-HUBLWGQQSA-N 1 0 317.351 3.851 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926905893 1030982304 /nfs/dbraw/zinc/98/23/04/1030982304.db2.gz QZVFRUXXOWDAEP-CORIIIEPSA-N 1 0 317.351 3.933 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000926921595 1030998588 /nfs/dbraw/zinc/99/85/88/1030998588.db2.gz VYDLRIYZBAZOJG-STQMWFEESA-N 1 0 313.397 3.575 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1C ZINC000123153857 1031012025 /nfs/dbraw/zinc/01/20/25/1031012025.db2.gz PPRZEZVDWUUSSQ-AWEZNQCLSA-N 1 0 309.413 3.741 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c(O)c1C ZINC000927066735 1031064207 /nfs/dbraw/zinc/06/42/07/1031064207.db2.gz CZRCSSQKVMKWAF-RHSMWYFYSA-N 1 0 301.434 3.790 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c(O)c1C ZINC000927071107 1031072654 /nfs/dbraw/zinc/07/26/54/1031072654.db2.gz XBWWIYBEDNEZPM-QILLFSRXSA-N 1 0 303.446 3.865 20 10 DHCDRO COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(F)c1F ZINC001143916668 1031081897 /nfs/dbraw/zinc/08/18/97/1031081897.db2.gz RUXCUIOLUGENLG-UHFFFAOYSA-N 1 0 320.383 3.671 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000927101252 1031087999 /nfs/dbraw/zinc/08/79/99/1031087999.db2.gz KYPXXTJEYZRXRC-LLVKDONJSA-N 1 0 319.836 3.816 20 10 DHCDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(Cl)cc1O ZINC000927140956 1031113954 /nfs/dbraw/zinc/11/39/54/1031113954.db2.gz UBEPFTRPUQUNEL-ONUMYQOESA-N 1 0 317.816 3.745 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC3(F)F)CC1)CCCC2 ZINC000844728343 1031303595 /nfs/dbraw/zinc/30/35/95/1031303595.db2.gz MIFGJPFFONILSH-UHFFFAOYSA-N 1 0 307.384 3.892 20 10 DHCDRO CCn1cc(C[N@H+](Cc2cc3c(cc2O)CCC3)C(C)C)cn1 ZINC000844738057 1031321535 /nfs/dbraw/zinc/32/15/35/1031321535.db2.gz KNANMUSMMVZATC-UHFFFAOYSA-N 1 0 313.445 3.508 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3cccc(F)c3O[C@@H]2C)c1O ZINC000360348242 1031389996 /nfs/dbraw/zinc/38/99/96/1031389996.db2.gz XBHGASWCSXQEKR-BDJLRTHQSA-N 1 0 317.360 3.542 20 10 DHCDRO Cn1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000293258369 1031401065 /nfs/dbraw/zinc/40/10/65/1031401065.db2.gz BXLIJNRCHVRJNR-IBGZPJMESA-N 1 0 321.424 3.589 20 10 DHCDRO Cn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000293258373 1031401447 /nfs/dbraw/zinc/40/14/47/1031401447.db2.gz BXLIJNRCHVRJNR-LJQANCHMSA-N 1 0 321.424 3.589 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Cl)c1[O-] ZINC000844923554 1031402179 /nfs/dbraw/zinc/40/21/79/1031402179.db2.gz IVBALWIFZUULKW-INIZCTEOSA-N 1 0 322.811 3.884 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(O)ccc1F ZINC000872021923 1031405359 /nfs/dbraw/zinc/40/53/59/1031405359.db2.gz GFFSKPZBSYSYQI-CQSZACIVSA-N 1 0 314.404 3.982 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872024046 1031408193 /nfs/dbraw/zinc/40/81/93/1031408193.db2.gz XPKGAKYKWBNHBF-IEBWSBKVSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000872131865 1031525725 /nfs/dbraw/zinc/52/57/25/1031525725.db2.gz BQLHGBCAGXMSKL-OWQGQXMQSA-N 1 0 315.413 3.564 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000872131871 1031525920 /nfs/dbraw/zinc/52/59/20/1031525920.db2.gz BQLHGBCAGXMSKL-SKDZVZGDSA-N 1 0 315.413 3.564 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3c(C)cc(C)cc3O)cn2c1 ZINC000293586014 1031528624 /nfs/dbraw/zinc/52/86/24/1031528624.db2.gz FETMQBYVWODIRY-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000360888940 1031605752 /nfs/dbraw/zinc/60/57/52/1031605752.db2.gz QLIRIYLJGODZKY-GTNSWQLSSA-N 1 0 317.360 3.542 20 10 DHCDRO CN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293758323 1031606271 /nfs/dbraw/zinc/60/62/71/1031606271.db2.gz OTMVCSIEKSJJNB-FQEVSTJZSA-N 1 0 324.468 3.750 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293801303 1031629471 /nfs/dbraw/zinc/62/94/71/1031629471.db2.gz RDYNLMWKBOVOSL-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1cc(C)cc(C[NH+]2CCC3(CCSCC3)CC2)c1O ZINC000872644192 1031638015 /nfs/dbraw/zinc/63/80/15/1031638015.db2.gz NHFCWDWMZMKXEH-UHFFFAOYSA-N 1 0 321.486 3.818 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001144509536 1031665184 /nfs/dbraw/zinc/66/51/84/1031665184.db2.gz XUOZNVJBMGIFON-HNNXBMFYSA-N 1 0 319.788 3.794 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1Cl ZINC000825635237 1031672797 /nfs/dbraw/zinc/67/27/97/1031672797.db2.gz XZQKPVAOIVCEHY-QGZVFWFLSA-N 1 0 309.837 3.745 20 10 DHCDRO CCCOc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1C ZINC000873009668 1031689931 /nfs/dbraw/zinc/68/99/31/1031689931.db2.gz QVZDZERUGMQXPU-UHFFFAOYSA-N 1 0 302.462 3.500 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1Cn1cccn1 ZINC000873007662 1031690676 /nfs/dbraw/zinc/69/06/76/1031690676.db2.gz ZAQVBROPGBTEOF-UHFFFAOYSA-N 1 0 321.424 3.538 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1C ZINC000873008908 1031690702 /nfs/dbraw/zinc/69/07/02/1031690702.db2.gz VICGPVPDGMSOTK-UHFFFAOYSA-N 1 0 309.413 3.721 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1C ZINC000873174128 1031738590 /nfs/dbraw/zinc/73/85/90/1031738590.db2.gz AJOGNHVVHGHAFF-UHFFFAOYSA-N 1 0 314.429 3.802 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000873239220 1031769952 /nfs/dbraw/zinc/76/99/52/1031769952.db2.gz QALBMTIDHMDGKR-IJLUTSLNSA-N 1 0 316.367 3.579 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873239076 1031770672 /nfs/dbraw/zinc/77/06/72/1031770672.db2.gz NHGIYOUUHSPSKF-GMTAPVOTSA-N 1 0 317.260 3.867 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1Cl ZINC000825667061 1031778734 /nfs/dbraw/zinc/77/87/34/1031778734.db2.gz SUWDPZFPXAGXMT-CQSZACIVSA-N 1 0 321.852 3.617 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC=CO2)c(C(F)(F)F)c1 ZINC000793151806 1031787646 /nfs/dbraw/zinc/78/76/46/1031787646.db2.gz ACUPNHCUAIPMJZ-AWEZNQCLSA-N 1 0 314.351 3.554 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1snnc1C ZINC000930350965 1031788576 /nfs/dbraw/zinc/78/85/76/1031788576.db2.gz KWDIHLKHYDYDNY-CYBMUJFWSA-N 1 0 305.447 3.915 20 10 DHCDRO CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1O ZINC000845992333 1031793644 /nfs/dbraw/zinc/79/36/44/1031793644.db2.gz JBKMDLQFRNEPIS-ZDUSSCGKSA-N 1 0 302.443 3.968 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000294104621 1031801802 /nfs/dbraw/zinc/80/18/02/1031801802.db2.gz JQNIWGABRKADET-LJQANCHMSA-N 1 0 321.424 3.622 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016399 1031807634 /nfs/dbraw/zinc/80/76/34/1031807634.db2.gz VLJDUSQJTNRGKO-UHFFFAOYSA-N 1 0 323.717 3.912 20 10 DHCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846059172 1031818087 /nfs/dbraw/zinc/81/80/87/1031818087.db2.gz ZSAHJSYFJQHGAL-UHFFFAOYSA-N 1 0 321.852 3.904 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1F ZINC000846034161 1031826588 /nfs/dbraw/zinc/82/65/88/1031826588.db2.gz HRJFLAZKGQGXCV-GJZGRUSLSA-N 1 0 302.796 3.686 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000897746418 1031828017 /nfs/dbraw/zinc/82/80/17/1031828017.db2.gz ILVJNMNTPJLKAL-IDICXISVSA-N 1 0 302.487 3.782 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846042105 1031838917 /nfs/dbraw/zinc/83/89/17/1031838917.db2.gz DPWUPCMQZKLMKX-FQEVSTJZSA-N 1 0 316.489 3.828 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCSC(C)(C)C2)ccc1OC ZINC000897800380 1031842781 /nfs/dbraw/zinc/84/27/81/1031842781.db2.gz QLZQOCPRXQKWPY-MRXNPFEDSA-N 1 0 323.502 3.996 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148797 1031883658 /nfs/dbraw/zinc/88/36/58/1031883658.db2.gz HELXLHYKKSHWBJ-BLLLJJGKSA-N 1 0 313.397 3.748 20 10 DHCDRO CCOc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148118 1031883987 /nfs/dbraw/zinc/88/39/87/1031883987.db2.gz ZPWOMHZMYUIKNQ-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000897971340 1031885109 /nfs/dbraw/zinc/88/51/09/1031885109.db2.gz XUNGOQVSYHXAJZ-QGZVFWFLSA-N 1 0 309.457 3.793 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1O ZINC000846154646 1031885797 /nfs/dbraw/zinc/88/57/97/1031885797.db2.gz OUJZJHVPQCMLLA-DEYYWGMASA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000846158170 1031888024 /nfs/dbraw/zinc/88/80/24/1031888024.db2.gz ULUBALFOCLYZJT-HEHGZKQESA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)c1O ZINC000846159555 1031889113 /nfs/dbraw/zinc/88/91/13/1031889113.db2.gz HOKUVIZETXJAKR-CQSZACIVSA-N 1 0 314.429 3.944 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158422 1031889449 /nfs/dbraw/zinc/88/94/49/1031889449.db2.gz YGPGLSBFCCMPLN-IINYFYTJSA-N 1 0 304.390 3.808 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccccc3OC)CC2)c1O ZINC000846172822 1031896815 /nfs/dbraw/zinc/89/68/15/1031896815.db2.gz MTAWUPXZJSQYPI-CYBMUJFWSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000846168320 1031897440 /nfs/dbraw/zinc/89/74/40/1031897440.db2.gz SBXDQPGOADCAGN-NHYWBVRUSA-N 1 0 317.816 3.872 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)CN2CCCC2)c1O ZINC000846168571 1031898203 /nfs/dbraw/zinc/89/82/03/1031898203.db2.gz APALMUJFETUXCQ-HOTGVXAUSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN2CCCC2)c1O ZINC000846168568 1031898360 /nfs/dbraw/zinc/89/83/60/1031898360.db2.gz APALMUJFETUXCQ-CVEARBPZSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2cc(C)cc(C)c2)c1O ZINC000846141114 1031902431 /nfs/dbraw/zinc/90/24/31/1031902431.db2.gz DPOVNVSIFIAPCO-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2cccc(F)c2)c1O ZINC000846143698 1031902476 /nfs/dbraw/zinc/90/24/76/1031902476.db2.gz KICRVGVYUSYMEZ-OLZOCXBDSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)c1O ZINC000846142584 1031903828 /nfs/dbraw/zinc/90/38/28/1031903828.db2.gz FNYZGFBHXGIPHS-CABCVRRESA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2F)c1O ZINC000846142192 1031904158 /nfs/dbraw/zinc/90/41/58/1031904158.db2.gz DCNOYBPLKKLORK-QWHCGFSZSA-N 1 0 303.377 3.822 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846142464 1031904516 /nfs/dbraw/zinc/90/45/16/1031904516.db2.gz FHNJZFZPVNBGBG-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1O ZINC000846145904 1031906526 /nfs/dbraw/zinc/90/65/26/1031906526.db2.gz OPUMUTBPYIYKBI-KGLIPLIRSA-N 1 0 313.397 3.618 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2cccc(C)c2)c1O ZINC000846143457 1031906674 /nfs/dbraw/zinc/90/66/74/1031906674.db2.gz BYBNUNSOMJEUBH-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)COc2cccc(F)c2)c1O ZINC000846144240 1031907678 /nfs/dbraw/zinc/90/76/78/1031907678.db2.gz LMGPUPDNOSPBTM-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOC2CCCCCC2)c1O ZINC000846144208 1031907791 /nfs/dbraw/zinc/90/77/91/1031907791.db2.gz JZJOXKMTSVUTTA-AWEZNQCLSA-N 1 0 307.434 3.791 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)c1O ZINC000846146254 1031909920 /nfs/dbraw/zinc/90/99/20/1031909920.db2.gz OUCUYNBWIYGKIA-QWHCGFSZSA-N 1 0 305.443 3.992 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000846210122 1031910792 /nfs/dbraw/zinc/91/07/92/1031910792.db2.gz XQKJFHBRVHFQRX-CYBMUJFWSA-N 1 0 313.397 3.592 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846184488 1031916186 /nfs/dbraw/zinc/91/61/86/1031916186.db2.gz SENSKZWEOKGZMQ-ZJNRKIDTSA-N 1 0 303.377 3.612 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000124803525 1031972636 /nfs/dbraw/zinc/97/26/36/1031972636.db2.gz PZEIHNMFVYPOLB-LIRRHRJNSA-N 1 0 316.420 3.666 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)cccc1O)CCO2 ZINC000877418160 1033297477 /nfs/dbraw/zinc/29/74/77/1033297477.db2.gz WFEJWVKPUHNCCD-KRWDZBQOSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3c(C)cccc3O)CC2)s1 ZINC000877477927 1033312816 /nfs/dbraw/zinc/31/28/16/1033312816.db2.gz INEPOXNLPZAEDT-UHFFFAOYSA-N 1 0 302.443 3.845 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000877491877 1033323007 /nfs/dbraw/zinc/32/30/07/1033323007.db2.gz PYGDWUBZUQPKOP-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562274 1033357270 /nfs/dbraw/zinc/35/72/70/1033357270.db2.gz QSYWINZGDQSVSA-MSOLQXFVSA-N 1 0 316.489 3.564 20 10 DHCDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877610228 1033378488 /nfs/dbraw/zinc/37/84/88/1033378488.db2.gz IBSGBOILDUHOKQ-QFBILLFUSA-N 1 0 316.489 3.562 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3cccc(OC)c3)CC2)c1O ZINC000150885333 1033391191 /nfs/dbraw/zinc/39/11/91/1033391191.db2.gz DJZQLYFKMUKPPI-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC23CCOCC3)cc1Cl ZINC000877727582 1033422764 /nfs/dbraw/zinc/42/27/64/1033422764.db2.gz CDFHMYKTTJAACS-CQSZACIVSA-N 1 0 309.837 3.650 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OC1CC1 ZINC000877755457 1033431279 /nfs/dbraw/zinc/43/12/79/1033431279.db2.gz BNXYXTBJIVPJIK-CYBMUJFWSA-N 1 0 313.397 3.793 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(OC(F)F)c1 ZINC000877756351 1033434248 /nfs/dbraw/zinc/43/42/48/1033434248.db2.gz IEVLSERJNLEHKL-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877756518 1033434264 /nfs/dbraw/zinc/43/42/64/1033434264.db2.gz OWZLDLRCJWVCKN-LSDHHAIUSA-N 1 0 312.413 3.769 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1SC ZINC000877757111 1033435001 /nfs/dbraw/zinc/43/50/01/1033435001.db2.gz GZNVZJKKKYUQBT-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cc(Cl)c(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000877757896 1033436125 /nfs/dbraw/zinc/43/61/25/1033436125.db2.gz YIYZEIDQBNGCRZ-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2O)c(F)cc1OC ZINC000877757975 1033436136 /nfs/dbraw/zinc/43/61/36/1033436136.db2.gz BFHITYNZNWXFOB-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152200721 1033507597 /nfs/dbraw/zinc/50/75/97/1033507597.db2.gz YNLYZJYEZGPSTJ-INIZCTEOSA-N 1 0 312.461 3.651 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C2CCC3(CCOCC3)CC2)cc1 ZINC001173052528 1033516463 /nfs/dbraw/zinc/51/64/63/1033516463.db2.gz ZLTIABFANVIKFL-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(N2CCOCC2)cc1 ZINC000777159474 1033558292 /nfs/dbraw/zinc/55/82/92/1033558292.db2.gz ZFYGWRDPGJBRKW-LJQPEZLNSA-N 1 0 314.473 3.753 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1O ZINC000126953468 1033610599 /nfs/dbraw/zinc/61/05/99/1033610599.db2.gz UKDKBFHZKSETRQ-OAHLLOKOSA-N 1 0 315.388 3.605 20 10 DHCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173339627 1033695190 /nfs/dbraw/zinc/69/51/90/1033695190.db2.gz PRZUWKCXVQOEQH-YJBOKZPZSA-N 1 0 319.445 3.614 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000862275326 1033805789 /nfs/dbraw/zinc/80/57/89/1033805789.db2.gz QWTBREFGUIMMKY-KGLIPLIRSA-N 1 0 324.415 3.608 20 10 DHCDRO CN(C)c1cc(F)c(CN2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000862347588 1033823923 /nfs/dbraw/zinc/82/39/23/1033823923.db2.gz HODHXHAOXCJMER-SNVBAGLBSA-N 1 0 322.321 3.805 20 10 DHCDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cc(C)ccc1O ZINC000862476869 1033863441 /nfs/dbraw/zinc/86/34/41/1033863441.db2.gz ZNXOEINOQRMHGB-SFHVURJKSA-N 1 0 317.404 3.577 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000862490031 1033868969 /nfs/dbraw/zinc/86/89/69/1033868969.db2.gz VPQKIVUMYDQYIJ-QAQDUYKDSA-N 1 0 321.461 3.864 20 10 DHCDRO Oc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000862541642 1033882766 /nfs/dbraw/zinc/88/27/66/1033882766.db2.gz YVXVBSUJXBMAMU-ZDUSSCGKSA-N 1 0 303.789 3.741 20 10 DHCDRO COc1cc(C[NH+]2CC3(CC(F)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000826114409 1034062624 /nfs/dbraw/zinc/06/26/24/1034062624.db2.gz YXOSQEVUQCWIJH-UHFFFAOYSA-N 1 0 307.409 3.632 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177928195 1034198271 /nfs/dbraw/zinc/19/82/71/1034198271.db2.gz UGJVPQOMISGLGF-GDBMZVCRSA-N 1 0 306.425 3.646 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000128233874 1034221165 /nfs/dbraw/zinc/22/11/65/1034221165.db2.gz DOYDKCJLKMUCBH-VQIMIIECSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178425061 1034237322 /nfs/dbraw/zinc/23/73/22/1034237322.db2.gz JJIFEJDCPSQBHE-JKSUJKDBSA-N 1 0 320.452 3.893 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000179557776 1034313350 /nfs/dbraw/zinc/31/33/50/1034313350.db2.gz WSEUYFSTFRJQAO-KRWDZBQOSA-N 1 0 303.789 3.619 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000179630802 1034321395 /nfs/dbraw/zinc/32/13/95/1034321395.db2.gz HZIZEGKTNGDJSU-LBPRGKRZSA-N 1 0 319.376 3.742 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183534386 1034396284 /nfs/dbraw/zinc/39/62/84/1034396284.db2.gz HPWDEDJPSAFJMP-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183535069 1034397146 /nfs/dbraw/zinc/39/71/46/1034397146.db2.gz RXVFLERGFJHAAO-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183597749 1034400975 /nfs/dbraw/zinc/40/09/75/1034400975.db2.gz SJCWTXLBFZQNTB-RHSMWYFYSA-N 1 0 313.397 3.737 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000183625101 1034405398 /nfs/dbraw/zinc/40/53/98/1034405398.db2.gz FHFQPYNXWPZCRA-YJBOKZPZSA-N 1 0 313.441 3.845 20 10 DHCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183730424 1034415714 /nfs/dbraw/zinc/41/57/14/1034415714.db2.gz MZCXMNVSRAMLET-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1O ZINC000794801768 1034472865 /nfs/dbraw/zinc/47/28/65/1034472865.db2.gz KZWKEFBJAYDQAD-WMZOPIPTSA-N 1 0 311.429 3.917 20 10 DHCDRO CC[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C)cc1O ZINC000794804869 1034479534 /nfs/dbraw/zinc/47/95/34/1034479534.db2.gz VSSKWQKEWCCWNC-SFHVURJKSA-N 1 0 321.461 3.575 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccc(C)cc1O ZINC000794804315 1034486154 /nfs/dbraw/zinc/48/61/54/1034486154.db2.gz CUYQHGHTGATLKO-KRWDZBQOSA-N 1 0 314.429 3.962 20 10 DHCDRO CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C)cc1O ZINC000794805568 1034490883 /nfs/dbraw/zinc/49/08/83/1034490883.db2.gz XGRJWSGWMNZAIG-KRWDZBQOSA-N 1 0 318.461 3.532 20 10 DHCDRO CC[C@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805564 1034491695 /nfs/dbraw/zinc/49/16/95/1034491695.db2.gz XGCDWAOABFEBAE-MJGOQNOKSA-N 1 0 313.441 3.999 20 10 DHCDRO CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794807226 1034493285 /nfs/dbraw/zinc/49/32/85/1034493285.db2.gz LBBFEYHFZMRPML-OAHLLOKOSA-N 1 0 322.449 3.656 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccccn2)c1O ZINC000184715948 1034495885 /nfs/dbraw/zinc/49/58/85/1034495885.db2.gz CEIBSMWSWAIJKM-LLVKDONJSA-N 1 0 306.793 3.642 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911161 1034512290 /nfs/dbraw/zinc/51/22/90/1034512290.db2.gz JFJKXLMIDXWGLN-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000184918291 1034513653 /nfs/dbraw/zinc/51/36/53/1034513653.db2.gz CYQRQLXDNWVXDC-SJCJKPOMSA-N 1 0 305.805 3.738 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C)cc1O ZINC000794814764 1034525373 /nfs/dbraw/zinc/52/53/73/1034525373.db2.gz IMRYFUHXAINBCW-VGSWGCGISA-N 1 0 317.454 3.679 20 10 DHCDRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185104588 1034527003 /nfs/dbraw/zinc/52/70/03/1034527003.db2.gz DNTUWKSKVXAYFG-AWEZNQCLSA-N 1 0 314.404 3.851 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232353 1034536826 /nfs/dbraw/zinc/53/68/26/1034536826.db2.gz VEBHNNZIGTZATE-CYBMUJFWSA-N 1 0 302.393 3.757 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270590 1034538550 /nfs/dbraw/zinc/53/85/50/1034538550.db2.gz IFVBWZNAIJRGFY-CXAGYDPISA-N 1 0 313.397 3.965 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1O ZINC000185312698 1034540390 /nfs/dbraw/zinc/54/03/90/1034540390.db2.gz JFFIUNDREUQBKU-YVEFUNNKSA-N 1 0 305.805 3.604 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2csc(C(C)C)n2)c1 ZINC000185310227 1034541097 /nfs/dbraw/zinc/54/10/97/1034541097.db2.gz OCSAGXOWTAWLHL-LBPRGKRZSA-N 1 0 320.458 3.874 20 10 DHCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185352369 1034542471 /nfs/dbraw/zinc/54/24/71/1034542471.db2.gz XJQLPNCVUYJQIN-CQSZACIVSA-N 1 0 316.420 3.834 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1OC ZINC000185452928 1034549456 /nfs/dbraw/zinc/54/94/56/1034549456.db2.gz JMHBKGUCYWJJEB-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(C)cc1O ZINC000794829685 1034550681 /nfs/dbraw/zinc/55/06/81/1034550681.db2.gz VWSMQLKXPAYRIE-MRXNPFEDSA-N 1 0 303.446 3.684 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNc2ccccc2)c1 ZINC000185489435 1034551236 /nfs/dbraw/zinc/55/12/36/1034551236.db2.gz YCLBNGOAAQCGAU-AWEZNQCLSA-N 1 0 300.402 3.554 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000185532277 1034553980 /nfs/dbraw/zinc/55/39/80/1034553980.db2.gz UHTSEZLKPXVJCF-KDOFPFPSSA-N 1 0 315.413 3.565 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000185737601 1034570671 /nfs/dbraw/zinc/57/06/71/1034570671.db2.gz LDELSVLKMRDOPY-RYRKJORJSA-N 1 0 313.441 3.906 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000185833764 1034576654 /nfs/dbraw/zinc/57/66/54/1034576654.db2.gz GWIAGGACTJYYGQ-CKFHNAJUSA-N 1 0 315.413 3.564 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185838998 1034577779 /nfs/dbraw/zinc/57/77/79/1034577779.db2.gz HXVYSFSTMKQRHR-OAVHHTNSSA-N 1 0 321.367 3.833 20 10 DHCDRO CCOCCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000186115985 1034602217 /nfs/dbraw/zinc/60/22/17/1034602217.db2.gz GBILOEZYQOVKJA-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000186355121 1034623659 /nfs/dbraw/zinc/62/36/59/1034623659.db2.gz JORVAEMCUIDHKX-IKICRFKJSA-N 1 0 301.430 3.699 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865465450 1034658542 /nfs/dbraw/zinc/65/85/42/1034658542.db2.gz ABCGUGQKZRPLQY-UHFFFAOYSA-N 1 0 307.800 3.538 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc(N(C)C)cc1 ZINC000865531049 1034694825 /nfs/dbraw/zinc/69/48/25/1034694825.db2.gz FLKWUCQAAJHAJQ-HNNXBMFYSA-N 1 0 312.461 3.600 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000777438652 1034742681 /nfs/dbraw/zinc/74/26/81/1034742681.db2.gz ACMXXJNQJDKFGS-HXUWFJFHSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000191854512 1034766003 /nfs/dbraw/zinc/76/60/03/1034766003.db2.gz SFTOWVSIRIKKLS-RFUYNDQBSA-N 1 0 315.388 3.960 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2cccc(O)c2)ccc1OC ZINC000192366009 1034798189 /nfs/dbraw/zinc/79/81/89/1034798189.db2.gz AOHGXGTYPRKVOJ-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000777483851 1034811659 /nfs/dbraw/zinc/81/16/59/1034811659.db2.gz GJHVQEWOJGQEBN-UHFFFAOYSA-N 1 0 304.821 3.710 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000194415184 1035138029 /nfs/dbraw/zinc/13/80/29/1035138029.db2.gz BPCJGZZYGNYUKI-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)c(Cl)c1 ZINC001177278135 1035362612 /nfs/dbraw/zinc/36/26/12/1035362612.db2.gz RZUAPJAGRCYLCF-KGLIPLIRSA-N 1 0 310.869 3.707 20 10 DHCDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483462 1035372274 /nfs/dbraw/zinc/37/22/74/1035372274.db2.gz SRUJNKMBBLPHGA-OALUTQOASA-N 1 0 316.489 3.828 20 10 DHCDRO COCC(C)(C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177631568 1035385221 /nfs/dbraw/zinc/38/52/21/1035385221.db2.gz PNRYUNRKIGOVIB-UHFFFAOYSA-N 1 0 324.468 3.764 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001178330978 1035422527 /nfs/dbraw/zinc/42/25/27/1035422527.db2.gz LEAMHXBBTARGDR-OZSKJFCKSA-N 1 0 302.462 3.702 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1 ZINC001178796320 1035448442 /nfs/dbraw/zinc/44/84/42/1035448442.db2.gz WFDRIVCLWRPEGL-IBGZPJMESA-N 1 0 304.478 3.564 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)cc1 ZINC001178774846 1035448956 /nfs/dbraw/zinc/44/89/56/1035448956.db2.gz MRDOLCAZJYPSOU-PMACEKPBSA-N 1 0 320.521 3.912 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068478600 1035452811 /nfs/dbraw/zinc/45/28/11/1035452811.db2.gz XAZIJMNZRBYKNR-OAHLLOKOSA-N 1 0 314.404 3.513 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3C)C2)cc1 ZINC001179129745 1035466234 /nfs/dbraw/zinc/46/62/34/1035466234.db2.gz ZKVGFHNNWBJNMG-SFHVURJKSA-N 1 0 310.441 3.681 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)cc1C ZINC001179148648 1035467239 /nfs/dbraw/zinc/46/72/39/1035467239.db2.gz QHHZPYQQOQRDAV-GOSISDBHSA-N 1 0 318.505 3.994 20 10 DHCDRO CN1CC[C@H]1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001179645092 1035486474 /nfs/dbraw/zinc/48/64/74/1035486474.db2.gz GLZNFIPSAYSZLO-INIZCTEOSA-N 1 0 318.505 3.781 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1O ZINC000797134477 1035490265 /nfs/dbraw/zinc/49/02/65/1035490265.db2.gz SMKAOANRSWIDRR-VGSWGCGISA-N 1 0 317.454 3.512 20 10 DHCDRO CCc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001179909638 1035547976 /nfs/dbraw/zinc/54/79/76/1035547976.db2.gz QHYXJZVNBSGNPA-UHFFFAOYSA-N 1 0 310.441 3.585 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccnn2C)cc1C(C)C ZINC000905739812 1035634981 /nfs/dbraw/zinc/63/49/81/1035634981.db2.gz JBFNPXLEXKFGRF-GOSISDBHSA-N 1 0 313.445 3.895 20 10 DHCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001204278878 1035742834 /nfs/dbraw/zinc/74/28/34/1035742834.db2.gz LMJOHLNKWCYUEA-ZDUSSCGKSA-N 1 0 303.789 3.741 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC001181007298 1035807483 /nfs/dbraw/zinc/80/74/83/1035807483.db2.gz FWUDETHAOQYPRG-UHFFFAOYSA-N 1 0 321.486 3.614 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1Cl ZINC001181112797 1035833185 /nfs/dbraw/zinc/83/31/85/1035833185.db2.gz MPZVXQAXFKEPAH-SFHVURJKSA-N 1 0 319.832 3.741 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525779 1035934471 /nfs/dbraw/zinc/93/44/71/1035934471.db2.gz OUHDYXOQJKJFNA-GJZGRUSLSA-N 1 0 323.864 3.993 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525775 1035936607 /nfs/dbraw/zinc/93/66/07/1035936607.db2.gz OUHDYXOQJKJFNA-CABCVRRESA-N 1 0 323.864 3.993 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(C(C)C)ccc2O)cc1 ZINC001181655122 1035957327 /nfs/dbraw/zinc/95/73/27/1035957327.db2.gz IQEMRAYANPFGJM-FQEVSTJZSA-N 1 0 313.441 3.901 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774264278 1036267681 /nfs/dbraw/zinc/26/76/81/1036267681.db2.gz AJCAGISTPHTEGQ-OPRDCNLKSA-N 1 0 304.217 3.653 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1O ZINC000775660256 1036268317 /nfs/dbraw/zinc/26/83/17/1036268317.db2.gz DPIKMEXOUKALJM-IBGZPJMESA-N 1 0 311.425 3.882 20 10 DHCDRO COCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)CC(C)C ZINC000914783633 1036332076 /nfs/dbraw/zinc/33/20/76/1036332076.db2.gz FLXVVAJCRPLNJL-UHFFFAOYSA-N 1 0 317.429 3.658 20 10 DHCDRO COc1ccc2c(NCc3cccc(OC)c3O)cc[nH+]c2c1 ZINC000774524409 1036407696 /nfs/dbraw/zinc/40/76/96/1036407696.db2.gz QYORARMQBGTBAZ-UHFFFAOYSA-N 1 0 310.353 3.570 20 10 DHCDRO CCc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)s1 ZINC000230934081 1036411045 /nfs/dbraw/zinc/41/10/45/1036411045.db2.gz INIOAFQOOODPNW-UHFFFAOYSA-N 1 0 311.834 3.968 20 10 DHCDRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001182856164 1036471630 /nfs/dbraw/zinc/47/16/30/1036471630.db2.gz UDAPSNBRBUKUBI-RBUKOAKNSA-N 1 0 324.468 3.885 20 10 DHCDRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000151653396 1036590539 /nfs/dbraw/zinc/59/05/39/1036590539.db2.gz QTHBWPBMVKTEEH-HNNXBMFYSA-N 1 0 322.449 3.565 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(C(=O)C(F)(F)F)c1)c1ccccc1O ZINC001197004227 1036666438 /nfs/dbraw/zinc/66/64/38/1036666438.db2.gz QOEIGHXOZZZDHE-NSHDSACASA-N 1 0 323.314 3.988 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C2(CO)CCCCCCC2)cc1 ZINC001197086806 1036676622 /nfs/dbraw/zinc/67/66/22/1036676622.db2.gz MIRNEIXQCTVCCM-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO Cc1cc(C[NH2+]Cc2c[nH]nc2C)c(C)n1-c1cccc(C)c1 ZINC000915229702 1036723167 /nfs/dbraw/zinc/72/31/67/1036723167.db2.gz MTPNUQMTPPWSII-UHFFFAOYSA-N 1 0 308.429 3.724 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC001184076295 1036731599 /nfs/dbraw/zinc/73/15/99/1036731599.db2.gz GEBNSBBINQTRPS-SFHVURJKSA-N 1 0 302.462 3.642 20 10 DHCDRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184217882 1036773104 /nfs/dbraw/zinc/77/31/04/1036773104.db2.gz JTVXKXKFZXTXCY-JXFKEZNVSA-N 1 0 317.521 3.914 20 10 DHCDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834295 1036994139 /nfs/dbraw/zinc/99/41/39/1036994139.db2.gz QKFBKRBIRDSJLQ-UZLBHIALSA-N 1 0 312.457 3.754 20 10 DHCDRO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834269 1036995961 /nfs/dbraw/zinc/99/59/61/1036995961.db2.gz QDWABUDJMYTSLC-KRWDZBQOSA-N 1 0 314.477 3.779 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000762918856 1037069088 /nfs/dbraw/zinc/06/90/88/1037069088.db2.gz PNIMPLGFVSTGLI-UHFFFAOYSA-N 1 0 314.477 3.560 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163605451 1037132038 /nfs/dbraw/zinc/13/20/38/1037132038.db2.gz FIBLHWUCUAEKJU-LPHOPBHVSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000776001794 1037295245 /nfs/dbraw/zinc/29/52/45/1037295245.db2.gz BOJIDLZYHNUEFP-DLBZAZTESA-N 1 0 311.425 3.992 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000776012126 1037306490 /nfs/dbraw/zinc/30/64/90/1037306490.db2.gz CZCFQLNVGUGONW-RISCZKNCSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776015639 1037309124 /nfs/dbraw/zinc/30/91/24/1037309124.db2.gz WCKRZJFGNVTTQT-AAEUAGOBSA-N 1 0 317.351 3.954 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCN2Cc3ccccc3C2)cc1C ZINC001199793182 1037342286 /nfs/dbraw/zinc/34/22/86/1037342286.db2.gz WZNKOVIUXVLPRT-UHFFFAOYSA-N 1 0 324.468 3.889 20 10 DHCDRO CC(C)C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CC[NH2+]1 ZINC001235881920 1037451234 /nfs/dbraw/zinc/45/12/34/1037451234.db2.gz LVJKUEAKTDKCHU-LBPRGKRZSA-N 1 0 317.260 3.519 20 10 DHCDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152705232 1037518583 /nfs/dbraw/zinc/51/85/83/1037518583.db2.gz KPZXJWRLPLJOPO-GJZGRUSLSA-N 1 0 308.441 3.892 20 10 DHCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000784680138 1037559563 /nfs/dbraw/zinc/55/95/63/1037559563.db2.gz PETWILVSUGQTIQ-UHFFFAOYSA-N 1 0 317.816 3.655 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278630 1037621156 /nfs/dbraw/zinc/62/11/56/1037621156.db2.gz MYGXIQRTNNMWAX-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1csc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000776163101 1037635668 /nfs/dbraw/zinc/63/56/68/1037635668.db2.gz OTCMKHWTJNVSLF-MRVPVSSYSA-N 1 0 300.786 3.800 20 10 DHCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775137810 1037691007 /nfs/dbraw/zinc/69/10/07/1037691007.db2.gz QJKUZVRGZYIFNM-QMMMGPOBSA-N 1 0 311.706 3.959 20 10 DHCDRO CCCN(Cc1ccc([N+](=O)[O-])cc1C)c1ccc(C[NH3+])cc1 ZINC000775139727 1037701672 /nfs/dbraw/zinc/70/16/72/1037701672.db2.gz GBGIOPPXJVQCSU-UHFFFAOYSA-N 1 0 313.401 3.779 20 10 DHCDRO CCCN(Cc1cnc(C2CC2)s1)c1ccc(C[NH3+])cc1 ZINC000775141198 1037709659 /nfs/dbraw/zinc/70/96/59/1037709659.db2.gz YMRQJOISHIFYFG-UHFFFAOYSA-N 1 0 301.459 3.896 20 10 DHCDRO CC(C)CC[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001201631680 1037801703 /nfs/dbraw/zinc/80/17/03/1037801703.db2.gz XMFBRBHCOSEIEQ-UHFFFAOYSA-N 1 0 316.367 3.753 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cc(C)ccc2F)c1 ZINC000775166817 1037901263 /nfs/dbraw/zinc/90/12/63/1037901263.db2.gz ALRUCGMIQGWFKB-UHFFFAOYSA-N 1 0 303.377 3.870 20 10 DHCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775175333 1037916168 /nfs/dbraw/zinc/91/61/68/1037916168.db2.gz HIXWLHXEJBLYBW-HXUWFJFHSA-N 1 0 316.489 3.804 20 10 DHCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776222639 1037922981 /nfs/dbraw/zinc/92/29/81/1037922981.db2.gz OTCITLVUIWPSIB-UHFFFAOYSA-N 1 0 313.825 3.566 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000775363529 1038275070 /nfs/dbraw/zinc/27/50/70/1038275070.db2.gz JJCWWUCTKUWLBF-UHFFFAOYSA-N 1 0 304.478 3.835 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000775372916 1038296415 /nfs/dbraw/zinc/29/64/15/1038296415.db2.gz XKNFSWJQUBCGFT-WMZOPIPTSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000775372910 1038297446 /nfs/dbraw/zinc/29/74/46/1038297446.db2.gz XKNFSWJQUBCGFT-AEFFLSMTSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC(C)(C)O1 ZINC001190436925 1038314433 /nfs/dbraw/zinc/31/44/33/1038314433.db2.gz OLALPACYQFBINT-SFHVURJKSA-N 1 0 304.478 3.921 20 10 DHCDRO COC[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C(C)C ZINC001190437280 1038318093 /nfs/dbraw/zinc/31/80/93/1038318093.db2.gz WKYGWTIOVJWOQC-GOSISDBHSA-N 1 0 306.494 3.882 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775396288 1038344295 /nfs/dbraw/zinc/34/42/95/1038344295.db2.gz VJEYYJVRQROGNA-ZACQAIPSSA-N 1 0 322.543 3.530 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000165754778 1038571360 /nfs/dbraw/zinc/57/13/60/1038571360.db2.gz TZRVWMXGJZCXKG-HOTGVXAUSA-N 1 0 310.532 3.642 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(Cl)ccc1O ZINC000775508670 1038594170 /nfs/dbraw/zinc/59/41/70/1038594170.db2.gz DWVQIPHAWHOCPT-DDUYRFODSA-N 1 0 309.837 3.900 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775507058 1038597511 /nfs/dbraw/zinc/59/75/11/1038597511.db2.gz GWIYHKRQOJCGML-RDJZCZTQSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775507988 1038599922 /nfs/dbraw/zinc/59/99/22/1038599922.db2.gz QRSOAODLOFPIOV-JKSUJKDBSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1O ZINC000775508143 1038600595 /nfs/dbraw/zinc/60/05/95/1038600595.db2.gz SAIRODOBEUDZIP-HNNXBMFYSA-N 1 0 306.793 3.560 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2nc(C)cs2)cc1 ZINC000057399015 1038631101 /nfs/dbraw/zinc/63/11/01/1038631101.db2.gz OOZIOHUJAWBPIR-UHFFFAOYSA-N 1 0 303.475 3.630 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000775522713 1038632508 /nfs/dbraw/zinc/63/25/08/1038632508.db2.gz YMVCSTBJLBIRHV-KBPBESRZSA-N 1 0 305.809 3.887 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccccc1O ZINC000775522461 1038633821 /nfs/dbraw/zinc/63/38/21/1038633821.db2.gz QFSAEGWDCBMGQA-GDBMZVCRSA-N 1 0 321.486 3.878 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157652428 1039102510 /nfs/dbraw/zinc/10/25/10/1039102510.db2.gz CLJKIZLBPRNXQL-RBUKOAKNSA-N 1 0 316.420 3.666 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Br)s1 ZINC000226583673 1039725121 /nfs/dbraw/zinc/72/51/21/1039725121.db2.gz FVLUVFBIQZTCJA-UHFFFAOYSA-N 1 0 316.195 3.645 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000761185805 1040507252 /nfs/dbraw/zinc/50/72/52/1040507252.db2.gz YLVJLWWIAYXCMM-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2ccccc2F)c1O ZINC000761192506 1040555903 /nfs/dbraw/zinc/55/59/03/1040555903.db2.gz PGSJSVNFXGFXQI-UHFFFAOYSA-N 1 0 323.795 3.868 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1O ZINC000761203925 1040577064 /nfs/dbraw/zinc/57/70/64/1040577064.db2.gz ZMHGWUAKQYWEQJ-INIZCTEOSA-N 1 0 317.816 3.871 20 10 DHCDRO Cc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000761222618 1040780822 /nfs/dbraw/zinc/78/08/22/1040780822.db2.gz KQEUWVSVMCSCRO-UHFFFAOYSA-N 1 0 304.459 3.633 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000228668810 1041045562 /nfs/dbraw/zinc/04/55/62/1041045562.db2.gz OAUMUHXIXVPVEH-LLVKDONJSA-N 1 0 309.793 3.758 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(F)ccc2F)c1O ZINC000228673200 1041050464 /nfs/dbraw/zinc/05/04/64/1041050464.db2.gz SQUWFUYCDZHBRK-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC(C)(C)C)CC2)c1 ZINC000092454342 185319408 /nfs/dbraw/zinc/31/94/08/185319408.db2.gz ULEZJBNNJMZSEQ-UHFFFAOYSA-N 1 0 307.434 3.570 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1O ZINC000092704991 185334007 /nfs/dbraw/zinc/33/40/07/185334007.db2.gz WENVEFJNMSRJFV-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO CCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1O ZINC000092705040 185334419 /nfs/dbraw/zinc/33/44/19/185334419.db2.gz ZEUARNVKKPGMHJ-UHFFFAOYSA-N 1 0 322.412 3.590 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](CCOC)c2ccco2)cc1 ZINC000272596549 130045245 /nfs/dbraw/zinc/04/52/45/130045245.db2.gz RRVXQILXHHDVOV-GOSISDBHSA-N 1 0 316.445 3.993 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1C ZINC000273297212 130103900 /nfs/dbraw/zinc/10/39/00/130103900.db2.gz AIKJDBBRBVOQRO-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1C ZINC000273401887 130117327 /nfs/dbraw/zinc/11/73/27/130117327.db2.gz NJDMZPKTBUIAGH-CYBMUJFWSA-N 1 0 318.383 3.544 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1C ZINC000273423071 130119630 /nfs/dbraw/zinc/11/96/30/130119630.db2.gz SNFDHOYVPKKCIM-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1O ZINC000273515528 130130754 /nfs/dbraw/zinc/13/07/54/130130754.db2.gz SNAOSQWFAQVIJL-SJKOYZFVSA-N 1 0 307.397 3.997 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1O ZINC000273515518 130131319 /nfs/dbraw/zinc/13/13/19/130131319.db2.gz SNAOSQWFAQVIJL-SJCJKPOMSA-N 1 0 307.397 3.997 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273609086 130143036 /nfs/dbraw/zinc/14/30/36/130143036.db2.gz VCTKPEGUWMVMMS-ZIAGYGMSSA-N 1 0 324.424 3.631 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000273623200 130147286 /nfs/dbraw/zinc/14/72/86/130147286.db2.gz ZTENZXPWBITLMY-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1F ZINC000283990341 131038319 /nfs/dbraw/zinc/03/83/19/131038319.db2.gz HGWYHTAPIGTQLD-GOSISDBHSA-N 1 0 314.404 3.765 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000284195549 131057902 /nfs/dbraw/zinc/05/79/02/131057902.db2.gz RWLOFQOGFPJIHT-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000284215479 131059768 /nfs/dbraw/zinc/05/97/68/131059768.db2.gz CMJOHGZAILRORR-GXTWGEPZSA-N 1 0 300.229 3.716 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284313308 131069765 /nfs/dbraw/zinc/06/97/65/131069765.db2.gz ZINUMWIQQRPODZ-ZDUSSCGKSA-N 1 0 302.418 3.973 20 10 DHCDRO CCCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC000285196194 131146532 /nfs/dbraw/zinc/14/65/32/131146532.db2.gz QRJVMCHWBDETLN-UHFFFAOYSA-N 1 0 319.445 3.574 20 10 DHCDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000286931975 131256856 /nfs/dbraw/zinc/25/68/56/131256856.db2.gz ASPAFMYANLQFAC-CYBMUJFWSA-N 1 0 314.385 3.730 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569367 131331237 /nfs/dbraw/zinc/33/12/37/131331237.db2.gz ZOTWUAYOLBTSQV-INIZCTEOSA-N 1 0 305.805 3.567 20 10 DHCDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000288653965 131333844 /nfs/dbraw/zinc/33/38/44/131333844.db2.gz VGIMTJCSDMPZIB-HNNXBMFYSA-N 1 0 321.804 3.532 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1OC ZINC000290585537 131500863 /nfs/dbraw/zinc/50/08/63/131500863.db2.gz UYAQRJJSZKVWRR-HLAWJBBLSA-N 1 0 323.436 3.660 20 10 DHCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294978573 131875535 /nfs/dbraw/zinc/87/55/35/131875535.db2.gz LSFXEWHWLDXUTP-JKSUJKDBSA-N 1 0 304.478 3.826 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000297263989 132006301 /nfs/dbraw/zinc/00/63/01/132006301.db2.gz KELQICQMWVWKLE-ZDUSSCGKSA-N 1 0 323.314 3.910 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000120502416 132144510 /nfs/dbraw/zinc/14/45/10/132144510.db2.gz PUQSQIPSSCKKDT-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000291673250 335083250 /nfs/dbraw/zinc/08/32/50/335083250.db2.gz GVHIWTOEFAEZHV-UHFFFAOYSA-N 1 0 314.385 3.937 20 10 DHCDRO CC(C)(O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294299682 335120769 /nfs/dbraw/zinc/12/07/69/335120769.db2.gz NFHLQKSQMRMHTF-GOSISDBHSA-N 1 0 313.441 3.817 20 10 DHCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(F)F)cc2)cc1OC ZINC000184987830 333203130 /nfs/dbraw/zinc/20/31/30/333203130.db2.gz CZEJRJFHROIJQU-UHFFFAOYSA-N 1 0 323.339 3.637 20 10 DHCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192692065 333291554 /nfs/dbraw/zinc/29/15/54/333291554.db2.gz RHBVVYPMMXAXKU-QWRGUYRKSA-N 1 0 317.260 3.691 20 10 DHCDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296999543 335150653 /nfs/dbraw/zinc/15/06/53/335150653.db2.gz STFFRJKKJIVZTQ-CQSZACIVSA-N 1 0 318.760 3.731 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1[O-] ZINC000282803696 334137300 /nfs/dbraw/zinc/13/73/00/334137300.db2.gz QYQJXEJZGNLRQB-BXUZGUMPSA-N 1 0 311.372 3.670 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2snnc2C)cc1 ZINC000291749999 334181493 /nfs/dbraw/zinc/18/14/93/334181493.db2.gz QAYQHCZYFRHTGO-UHFFFAOYSA-N 1 0 318.490 3.763 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2c(C)c3ccccc3n2C)n1 ZINC000355111495 336495100 /nfs/dbraw/zinc/49/51/00/336495100.db2.gz HMHZEKAGBZGMAU-UHFFFAOYSA-N 1 0 309.413 3.570 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000368483848 336845868 /nfs/dbraw/zinc/84/58/68/336845868.db2.gz VEJXRUOABFLJHG-RVPKQNPDSA-N 1 0 317.360 3.713 20 10 DHCDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000368814904 336853261 /nfs/dbraw/zinc/85/32/61/336853261.db2.gz XHRXWACQEJDRKQ-ZUEVXXBESA-N 1 0 315.388 3.960 20 10 DHCDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000368814902 336853357 /nfs/dbraw/zinc/85/33/57/336853357.db2.gz XHRXWACQEJDRKQ-RFUYNDQBSA-N 1 0 315.388 3.960 20 10 DHCDRO CC(C)[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000373229866 336954052 /nfs/dbraw/zinc/95/40/52/336954052.db2.gz OAMCAPYMGRNBTO-UHFFFAOYSA-N 1 0 302.340 3.552 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c1O ZINC000375133907 337004228 /nfs/dbraw/zinc/00/42/28/337004228.db2.gz FHUSDVZWLDXFCY-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1 ZINC000375531018 337012893 /nfs/dbraw/zinc/01/28/93/337012893.db2.gz YQSVPCQJJPXCPG-ZHALLVOQSA-N 1 0 303.446 3.606 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(C)cc1O ZINC000377139105 337047484 /nfs/dbraw/zinc/04/74/84/337047484.db2.gz HVTXWEGFRUIBKJ-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)s1 ZINC000378352643 337070832 /nfs/dbraw/zinc/07/08/32/337070832.db2.gz YVVRJXABIIABNT-CQSZACIVSA-N 1 0 302.443 3.845 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000175659896 337146957 /nfs/dbraw/zinc/14/69/57/337146957.db2.gz HIQAHYBMQYIZRH-INIZCTEOSA-N 1 0 323.408 3.515 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125235 337203187 /nfs/dbraw/zinc/20/31/87/337203187.db2.gz KRBIOMVZHDVCLR-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1O ZINC000189930286 337283865 /nfs/dbraw/zinc/28/38/65/337283865.db2.gz JVWLPVVQBQNVPB-HNNXBMFYSA-N 1 0 318.442 3.893 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000248487115 337565581 /nfs/dbraw/zinc/56/55/81/337565581.db2.gz FZRQREJQATUFLP-JFTQMJAMSA-N 1 0 301.430 3.699 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421855383 337650338 /nfs/dbraw/zinc/65/03/38/337650338.db2.gz MUFKOWXQSRCKPB-KRWDZBQOSA-N 1 0 319.452 3.919 20 10 DHCDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(C)c2)C2CC2)cn1 ZINC000527840865 337767987 /nfs/dbraw/zinc/76/79/87/337767987.db2.gz KJISROOQMKHUMV-LJQANCHMSA-N 1 0 312.413 3.648 20 10 DHCDRO COC1(C[C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)CCC1 ZINC000475189040 339440733 /nfs/dbraw/zinc/44/07/33/339440733.db2.gz CWUPLKZHEJGGEC-AWEZNQCLSA-N 1 0 300.446 3.924 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000479431761 339534733 /nfs/dbraw/zinc/53/47/33/339534733.db2.gz OFYSNTZZSVBTOJ-ATZDWAIDSA-N 1 0 312.457 3.780 20 10 DHCDRO COc1ccc(F)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000550211137 341312414 /nfs/dbraw/zinc/31/24/14/341312414.db2.gz PFWLSVQONHSENH-UHFFFAOYSA-N 1 0 312.388 3.924 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1 ZINC000160299592 520286762 /nfs/dbraw/zinc/28/67/62/520286762.db2.gz SWUREKRNWGYFDK-INIZCTEOSA-N 1 0 322.456 3.950 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@H](CC)c1ccccc1O ZINC000155314939 520504612 /nfs/dbraw/zinc/50/46/12/520504612.db2.gz YNLALQPGRBVTTL-MRXNPFEDSA-N 1 0 300.402 3.817 20 10 DHCDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(OC)ccc2O)s1 ZINC000180406809 522219100 /nfs/dbraw/zinc/21/91/00/522219100.db2.gz RBNAJKAXNKSWFJ-GFCCVEGCSA-N 1 0 320.458 3.921 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000156443893 522601386 /nfs/dbraw/zinc/60/13/86/522601386.db2.gz UXJLCVFAAKDOBX-HOCLYGCPSA-N 1 0 310.397 3.559 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000157457657 522727733 /nfs/dbraw/zinc/72/77/33/522727733.db2.gz CBDRYYUHWUMERX-ONIAQPFYSA-N 1 0 301.430 3.781 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1O ZINC000364909077 522923929 /nfs/dbraw/zinc/92/39/29/522923929.db2.gz RZRWVOBEXSOSHD-QZTJIDSGSA-N 1 0 324.424 3.931 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccccc1O ZINC000156409125 522943827 /nfs/dbraw/zinc/94/38/27/522943827.db2.gz VWINWMIWAZZQSK-QZTJIDSGSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000237249335 523982402 /nfs/dbraw/zinc/98/24/02/523982402.db2.gz NVYZZQZWNXLFIL-CQSZACIVSA-N 1 0 315.413 3.520 20 10 DHCDRO Cc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1O ZINC000367733164 524391006 /nfs/dbraw/zinc/39/10/06/524391006.db2.gz ZVBXWKFSUCQDMY-HXUWFJFHSA-N 1 0 311.425 3.646 20 10 DHCDRO Cc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1O ZINC000182478810 524429084 /nfs/dbraw/zinc/42/90/84/524429084.db2.gz BTKBDHRKQBYBQV-UHFFFAOYSA-N 1 0 315.388 3.635 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1 ZINC000181384355 524749016 /nfs/dbraw/zinc/74/90/16/524749016.db2.gz OUVBZZRJIHOCNG-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191193039 525533757 /nfs/dbraw/zinc/53/37/57/525533757.db2.gz UKDLHEXDDOLJHB-GFCCVEGCSA-N 1 0 320.383 3.583 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2ccccc2c1O ZINC000367439527 525550076 /nfs/dbraw/zinc/55/00/76/525550076.db2.gz VGFLSQZFZBERCD-CQSZACIVSA-N 1 0 321.424 3.929 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H]1CCOC1 ZINC000268858489 525608592 /nfs/dbraw/zinc/60/85/92/525608592.db2.gz DREJKPZJKKOYKJ-UXLLHSPISA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@@H]1CCOC1 ZINC000119597994 525609171 /nfs/dbraw/zinc/60/91/71/525609171.db2.gz DREJKPZJKKOYKJ-ZMSDIMECSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000124386998 525610060 /nfs/dbraw/zinc/61/00/60/525610060.db2.gz OYXTZSJWURIITI-KSMMKXTCSA-N 1 0 316.420 3.664 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000160541455 525898299 /nfs/dbraw/zinc/89/82/99/525898299.db2.gz SHEUBINELCCUPU-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCCC2)o1 ZINC000183480039 525961593 /nfs/dbraw/zinc/96/15/93/525961593.db2.gz OEDIXOUXBJMODD-WBVHZDCISA-N 1 0 314.429 3.781 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](Cc1cnn(C)c1)Cc1ccccc1O ZINC000176680681 526089055 /nfs/dbraw/zinc/08/90/55/526089055.db2.gz ADRYJHODJZMJSK-INIZCTEOSA-N 1 0 321.424 3.889 20 10 DHCDRO OCc1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)o1 ZINC000156780235 527632347 /nfs/dbraw/zinc/63/23/47/527632347.db2.gz UPQKLGIYDVWJJM-UHFFFAOYSA-N 1 0 315.413 3.812 20 10 DHCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753853 534957577 /nfs/dbraw/zinc/95/75/77/534957577.db2.gz QMGBDPASPOCDSI-CJNGLKHVSA-N 1 0 310.869 3.818 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000285595532 535752460 /nfs/dbraw/zinc/75/24/60/535752460.db2.gz WGCCWNNJALDRNM-UHFFFAOYSA-N 1 0 310.397 3.870 20 10 DHCDRO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287687711 535803056 /nfs/dbraw/zinc/80/30/56/535803056.db2.gz MZGGGEMSDXYZMT-OAHLLOKOSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286138802 535804779 /nfs/dbraw/zinc/80/47/79/535804779.db2.gz OUIMVYOLLVCSRO-WMLDXEAASA-N 1 0 308.441 3.692 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000287733403 535894283 /nfs/dbraw/zinc/89/42/83/535894283.db2.gz PGKPZMPSXJDOAU-KRWDZBQOSA-N 1 0 322.880 3.961 20 10 DHCDRO CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287232946 535944214 /nfs/dbraw/zinc/94/42/14/535944214.db2.gz YIEAZXCPILFGFY-ZWKOTPCHSA-N 1 0 316.420 3.875 20 10 DHCDRO COCC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000273401098 536809569 /nfs/dbraw/zinc/80/95/69/536809569.db2.gz GLJCRPJKBMZWHM-IUODEOHRSA-N 1 0 307.365 3.861 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000284176085 536896975 /nfs/dbraw/zinc/89/69/75/536896975.db2.gz QUNRICQYXPECAF-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccccc2OC)cc1 ZINC000013719113 563662294 /nfs/dbraw/zinc/66/22/94/563662294.db2.gz GWJYVBGDIQKZRC-UHFFFAOYSA-N 1 0 312.457 3.874 20 10 DHCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000090406461 1013710515 /nfs/dbraw/zinc/71/05/15/1013710515.db2.gz IBTRCFWGBCUWDY-GFCCVEGCSA-N 1 0 301.459 3.685 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1(Br)CC1 ZINC000925101798 1013754285 /nfs/dbraw/zinc/75/42/85/1013754285.db2.gz JZWSPCPWJQWYOY-SECBINFHSA-N 1 0 321.309 3.531 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCCc2cccnc2)c1O ZINC000894983462 1013765957 /nfs/dbraw/zinc/76/59/57/1013765957.db2.gz RAVAQLRAJLNLEK-OAHLLOKOSA-N 1 0 314.429 3.605 20 10 DHCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000155715362 1014101171 /nfs/dbraw/zinc/10/11/71/1014101171.db2.gz LZIUPTFKWOSYQJ-QGZVFWFLSA-N 1 0 312.461 3.614 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000895134659 1014528475 /nfs/dbraw/zinc/52/84/75/1014528475.db2.gz JVIDAWNYIOLXLS-CABCVRRESA-N 1 0 301.789 3.504 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000237248873 1014926544 /nfs/dbraw/zinc/92/65/44/1014926544.db2.gz ZMGNQAUBFLXMTJ-MRXNPFEDSA-N 1 0 312.457 3.872 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1O ZINC000895410443 1015137542 /nfs/dbraw/zinc/13/75/42/1015137542.db2.gz GRHRPMVZUSGCBT-UHFFFAOYSA-N 1 0 317.351 3.922 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000895580310 1015216299 /nfs/dbraw/zinc/21/62/99/1015216299.db2.gz AEOJMLHLICBGQI-LLVKDONJSA-N 1 0 308.834 3.800 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1O ZINC000896536931 1015626132 /nfs/dbraw/zinc/62/61/32/1015626132.db2.gz RYHFLHXDVKRJCS-CQSZACIVSA-N 1 0 302.443 3.612 20 10 DHCDRO CCc1cccc(C[NH2+]CCc2cccc3oc(C)nc32)c1O ZINC000896888956 1015803821 /nfs/dbraw/zinc/80/38/21/1015803821.db2.gz HJMSQQLGGQUBMD-UHFFFAOYSA-N 1 0 310.397 3.737 20 10 DHCDRO COc1cccc(C[NH+]2CCC(c3ncc(C)s3)CC2)c1O ZINC000277287290 1016147389 /nfs/dbraw/zinc/14/73/89/1016147389.db2.gz ALKBJBUKXJPPNV-UHFFFAOYSA-N 1 0 318.442 3.545 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC001204585214 1016305809 /nfs/dbraw/zinc/30/58/09/1016305809.db2.gz OGIIYWXDOUYQRF-UHFFFAOYSA-N 1 0 316.489 3.986 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000184855333 1016405894 /nfs/dbraw/zinc/40/58/94/1016405894.db2.gz LJOXSJPBQPALNJ-VLIAUNLRSA-N 1 0 311.425 3.655 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091443 1016549989 /nfs/dbraw/zinc/54/99/89/1016549989.db2.gz UOSSCFAWVAQHKS-AEFFLSMTSA-N 1 0 312.457 3.524 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Br)cs1 ZINC000226585225 1039725851 /nfs/dbraw/zinc/72/58/51/1039725851.db2.gz FOQGALQURQBIRU-UHFFFAOYSA-N 1 0 316.195 3.645 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000072670282 1016803983 /nfs/dbraw/zinc/80/39/83/1016803983.db2.gz OYSRDMAMPAAPRZ-GOSISDBHSA-N 1 0 315.461 3.518 20 10 DHCDRO C[C@@H]1CCCN(c2ccc(CNCc3cocn3)cc2Cl)C1 ZINC000281926360 1016806806 /nfs/dbraw/zinc/80/68/06/1016806806.db2.gz HDKQZKZCWCLGCV-CYBMUJFWSA-N 1 0 319.836 3.854 20 10 DHCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1O ZINC000848551153 1016874522 /nfs/dbraw/zinc/87/45/22/1016874522.db2.gz FGMWPUQGBLTPGC-DTWKUNHWSA-N 1 0 320.202 3.562 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](CC)c1cc(Br)ccc1O)OC ZINC000386591518 1016879849 /nfs/dbraw/zinc/87/98/49/1016879849.db2.gz JMDIKYQWYSCQST-YPMHNXCESA-N 1 0 316.239 3.620 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185370332 1016883960 /nfs/dbraw/zinc/88/39/60/1016883960.db2.gz VZOSCJCTCZNXGF-QAPCUYQASA-N 1 0 321.420 3.800 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000185405502 1016894896 /nfs/dbraw/zinc/89/48/96/1016894896.db2.gz CXKJAGNNWUQZKZ-CHWSQXEVSA-N 1 0 301.361 3.748 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c(O)c1 ZINC000185576356 1017019548 /nfs/dbraw/zinc/01/95/48/1017019548.db2.gz LEDFLZQZNJYCDH-UONOGXRCSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185580438 1017029505 /nfs/dbraw/zinc/02/95/05/1017029505.db2.gz WMVXXNQKYTXGLQ-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000185640759 1017065753 /nfs/dbraw/zinc/06/57/53/1017065753.db2.gz FQZKMURLBRJOLQ-UHFFFAOYSA-N 1 0 322.456 3.664 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c1 ZINC000192809119 1017067140 /nfs/dbraw/zinc/06/71/40/1017067140.db2.gz FLOIBBAPTAQRGH-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000295119611 1032282557 /nfs/dbraw/zinc/28/25/57/1032282557.db2.gz XELXIXLXSWVJBM-PWSUYJOCSA-N 1 0 303.324 3.564 20 10 DHCDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543183 1033345924 /nfs/dbraw/zinc/34/59/24/1033345924.db2.gz ZQIUXUKFDJDBKQ-MRXNPFEDSA-N 1 0 304.478 3.658 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1N(C)C ZINC000772999520 1032518033 /nfs/dbraw/zinc/51/80/33/1032518033.db2.gz LRNHXYTZQMRRGH-AWEZNQCLSA-N 1 0 312.413 3.641 20 10 DHCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773013918 1032527791 /nfs/dbraw/zinc/52/77/91/1032527791.db2.gz GJDFMZLDHNFCAW-APWZRJJASA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773045597 1032538664 /nfs/dbraw/zinc/53/86/64/1032538664.db2.gz YWNUDNBRKTXLEA-ZDUSSCGKSA-N 1 0 308.853 3.627 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773045595 1032538798 /nfs/dbraw/zinc/53/87/98/1032538798.db2.gz YWNUDNBRKTXLEA-CYBMUJFWSA-N 1 0 308.853 3.627 20 10 DHCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773047402 1032540200 /nfs/dbraw/zinc/54/02/00/1032540200.db2.gz PHESUPGLLNXOBL-VDZJLULYSA-N 1 0 304.478 3.854 20 10 DHCDRO CC[C@H]([NH2+]CCc1cnc(C)s1)c1ccc(N(C)C)cc1 ZINC000773083576 1032550802 /nfs/dbraw/zinc/55/08/02/1032550802.db2.gz USJPUGVAPUQVKD-KRWDZBQOSA-N 1 0 303.475 3.801 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773103492 1032559747 /nfs/dbraw/zinc/55/97/47/1032559747.db2.gz JLNJVWIGNLZNBA-YOEHRIQHSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000319762451 1012266499 /nfs/dbraw/zinc/26/64/99/1012266499.db2.gz DTTSPTUDBQZJTQ-FUHWJXTLSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000037141961 1012839791 /nfs/dbraw/zinc/83/97/91/1012839791.db2.gz ZGMDALFVVCIYEA-RYUDHWBXSA-N 1 0 303.324 3.612 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)CCC2 ZINC000773260617 1032664273 /nfs/dbraw/zinc/66/42/73/1032664273.db2.gz YLSXOGYRNSIUGQ-JKSUJKDBSA-N 1 0 315.457 3.520 20 10 DHCDRO COc1ccc(N2CC[NH+](CC34CCC(CC3)C4)CC2)cc1F ZINC001168067251 1017326701 /nfs/dbraw/zinc/32/67/01/1017326701.db2.gz HFFSFLBOWODOKT-UHFFFAOYSA-N 1 0 318.436 3.537 20 10 DHCDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc2ccccc2c1O ZINC000320856973 1017332831 /nfs/dbraw/zinc/33/28/31/1017332831.db2.gz UPBQNMZUPAVZEX-INIZCTEOSA-N 1 0 312.457 3.928 20 10 DHCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000186131242 1017872765 /nfs/dbraw/zinc/87/27/65/1017872765.db2.gz XZFFJDCSJUVHCI-JSGCOSHPSA-N 1 0 313.445 3.584 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1C ZINC001171464369 1032726204 /nfs/dbraw/zinc/72/62/04/1032726204.db2.gz ACIZXHQSFLKNFB-MRXNPFEDSA-N 1 0 317.379 3.929 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701921894 1018122678 /nfs/dbraw/zinc/12/26/78/1018122678.db2.gz AOKYGPZUHRSWQC-ZIAGYGMSSA-N 1 0 322.449 3.607 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926917250 1032748384 /nfs/dbraw/zinc/74/83/84/1032748384.db2.gz SZZGXJYQIVALIJ-PXWWUCIGSA-N 1 0 321.314 3.682 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cc(Br)ccc1O ZINC000702632902 1018221650 /nfs/dbraw/zinc/22/16/50/1018221650.db2.gz KVDNIECDICWUAQ-SKDRFNHKSA-N 1 0 304.203 3.944 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000764718260 1018355326 /nfs/dbraw/zinc/35/53/26/1018355326.db2.gz WLVKHNCDUUPHBA-MRXNPFEDSA-N 1 0 320.440 3.777 20 10 DHCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000728563025 1018364892 /nfs/dbraw/zinc/36/48/92/1018364892.db2.gz GKHYWDSGTMTOIR-UHFFFAOYSA-N 1 0 311.425 3.966 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1O)CCO2 ZINC000187587270 1018433381 /nfs/dbraw/zinc/43/33/81/1018433381.db2.gz CBVGTEYFMOTABZ-MRXNPFEDSA-N 1 0 317.360 3.543 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCOCC1CCC1 ZINC000764978238 1018442029 /nfs/dbraw/zinc/44/20/29/1018442029.db2.gz UNQNAPMQMLGKRQ-UHFFFAOYSA-N 1 0 302.462 3.583 20 10 DHCDRO CN(C)c1cc(F)c(CNc2ccc(C[NH+](C)C)cc2)cc1F ZINC000858102662 1032766682 /nfs/dbraw/zinc/76/66/82/1032766682.db2.gz CZKLIRFQSBKWKO-UHFFFAOYSA-N 1 0 319.399 3.705 20 10 DHCDRO C[C@H]([NH2+]CCCCCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000843340641 1018495360 /nfs/dbraw/zinc/49/53/60/1018495360.db2.gz CWHYLVSEEHQORO-NSHDSACASA-N 1 0 304.356 3.581 20 10 DHCDRO Clc1csc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000278340008 1018588477 /nfs/dbraw/zinc/58/84/77/1018588477.db2.gz GSSDSTPFWFVUGJ-UHFFFAOYSA-N 1 0 322.861 3.528 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC000858143991 1032780660 /nfs/dbraw/zinc/78/06/60/1032780660.db2.gz DBMNVJFIMHQVFY-AWEZNQCLSA-N 1 0 321.218 3.791 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765278201 1018741765 /nfs/dbraw/zinc/74/17/65/1018741765.db2.gz BTTNKZWMIJHVHJ-DOTOQJQBSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765281078 1018743970 /nfs/dbraw/zinc/74/39/70/1018743970.db2.gz PNPCZSMBEBVKBN-CQSZACIVSA-N 1 0 302.393 3.621 20 10 DHCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765303380 1018749182 /nfs/dbraw/zinc/74/91/82/1018749182.db2.gz ZZTICWCCMSQGKH-BRWVUGGUSA-N 1 0 303.494 3.524 20 10 DHCDRO CC(F)(F)CCC[NH2+]Cc1c(O)cccc1Br ZINC000706831832 1018761592 /nfs/dbraw/zinc/76/15/92/1018761592.db2.gz NVYZJUDGCUSLIP-UHFFFAOYSA-N 1 0 308.166 3.680 20 10 DHCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706829915 1018761669 /nfs/dbraw/zinc/76/16/69/1018761669.db2.gz GXSYRNWGZNJNRR-NXEZZACHSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765335395 1018761965 /nfs/dbraw/zinc/76/19/65/1018761965.db2.gz UJVAGGYQCJACRM-AWEZNQCLSA-N 1 0 308.441 3.749 20 10 DHCDRO Cc1cnc(Cl)c(C[NH2+]CCCSc2nccs2)c1 ZINC000921753794 1018763471 /nfs/dbraw/zinc/76/34/71/1018763471.db2.gz GNFMKIJMQNDQQS-UHFFFAOYSA-N 1 0 313.879 3.772 20 10 DHCDRO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765394209 1018772468 /nfs/dbraw/zinc/77/24/68/1018772468.db2.gz ANQJJEDPKMXSRU-GOSISDBHSA-N 1 0 322.456 3.843 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000765433104 1018783913 /nfs/dbraw/zinc/78/39/13/1018783913.db2.gz VYVPWWVGOWDLPK-QAPCUYQASA-N 1 0 310.441 3.797 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 ZINC000921519582 1018816906 /nfs/dbraw/zinc/81/69/06/1018816906.db2.gz IPAVXVNWTSNSOL-ZDUSSCGKSA-N 1 0 311.381 3.591 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2sccc2Br)c1 ZINC000083552467 1018919214 /nfs/dbraw/zinc/91/92/14/1018919214.db2.gz JRFOKVSWPKPAFM-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000922946754 1018929338 /nfs/dbraw/zinc/92/93/38/1018929338.db2.gz NNSBKCATLZRBKP-UHFFFAOYSA-N 1 0 307.340 3.667 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC34CCCCC4)CC2)cc1 ZINC000858191441 1032797844 /nfs/dbraw/zinc/79/78/44/1032797844.db2.gz STBMDIJWZYGDOX-LJQANCHMSA-N 1 0 314.473 3.976 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(C)c1OC ZINC000922974168 1018957778 /nfs/dbraw/zinc/95/77/78/1018957778.db2.gz YARIBSTXJABESZ-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c(O)c1 ZINC000923024462 1018987068 /nfs/dbraw/zinc/98/70/68/1018987068.db2.gz GJMUKHRGJMHZOU-IBGZPJMESA-N 1 0 313.397 3.578 20 10 DHCDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOc2ccccc21 ZINC000923027062 1018990021 /nfs/dbraw/zinc/99/00/21/1018990021.db2.gz XDZNKQGOZQBTKN-KRWDZBQOSA-N 1 0 303.789 3.833 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000765678844 1019037507 /nfs/dbraw/zinc/03/75/07/1019037507.db2.gz BEPHIDKOKUKXCD-DNVCBOLYSA-N 1 0 304.478 3.735 20 10 DHCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134922640 1019051123 /nfs/dbraw/zinc/05/11/23/1019051123.db2.gz JZYZATZCLVUPSN-DTWKUNHWSA-N 1 0 304.253 3.557 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000766165530 1019068532 /nfs/dbraw/zinc/06/85/32/1019068532.db2.gz AUQYZLCJKIMYQZ-ZTFGCOKTSA-N 1 0 302.462 3.751 20 10 DHCDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825773972 1032810188 /nfs/dbraw/zinc/81/01/88/1032810188.db2.gz SAMWFIXAMVOXDW-HIFRSBDPSA-N 1 0 321.461 3.698 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1O ZINC000282543915 1019188658 /nfs/dbraw/zinc/18/86/58/1019188658.db2.gz WOHPFTOKWKAMCG-IINYFYTJSA-N 1 0 305.809 3.507 20 10 DHCDRO Cc1cnc(Cl)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000922015514 1019314105 /nfs/dbraw/zinc/31/41/05/1019314105.db2.gz QSNXOQXHIVHPDB-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1 ZINC000858304368 1032834709 /nfs/dbraw/zinc/83/47/09/1032834709.db2.gz PGQACYQTNWJAHW-UHFFFAOYSA-N 1 0 313.445 3.703 20 10 DHCDRO COc1cccc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1O ZINC000858308336 1032838137 /nfs/dbraw/zinc/83/81/37/1032838137.db2.gz ZBBVDZWTDIQCIH-UHFFFAOYSA-N 1 0 303.324 3.613 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2C=CCCCCC2)cc1 ZINC001171730174 1032848760 /nfs/dbraw/zinc/84/87/60/1032848760.db2.gz RTEFKHQZHMZVBA-KRWDZBQOSA-N 1 0 302.462 3.952 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4c3cccc4F)ccc21 ZINC000727644326 1019744193 /nfs/dbraw/zinc/74/41/93/1019744193.db2.gz AMIXKOUMZQZFNJ-IBGZPJMESA-N 1 0 310.416 3.985 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC001171733326 1032850594 /nfs/dbraw/zinc/85/05/94/1032850594.db2.gz QUBLQUXQRGDIBP-JZXOWHBKSA-N 1 0 310.441 3.706 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)cc1 ZINC000858333064 1032850702 /nfs/dbraw/zinc/85/07/02/1032850702.db2.gz UUAIEWJLEMKNOA-MRXNPFEDSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000187593074 1019756457 /nfs/dbraw/zinc/75/64/57/1019756457.db2.gz OGPHEZLAUMRMSU-GFCCVEGCSA-N 1 0 319.351 3.669 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000188662839 1019866289 /nfs/dbraw/zinc/86/62/89/1019866289.db2.gz RSWNMXTXJSWJPE-AWEZNQCLSA-N 1 0 313.294 3.967 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922215940 1019894102 /nfs/dbraw/zinc/89/41/02/1019894102.db2.gz GLFCCZDWZBGCSW-SECBINFHSA-N 1 0 321.808 3.506 20 10 DHCDRO CC(C)OC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000730565134 1020005232 /nfs/dbraw/zinc/00/52/32/1020005232.db2.gz RCLDDRLFSAAMCE-UHFFFAOYSA-N 1 0 321.461 3.785 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922466387 1020086487 /nfs/dbraw/zinc/08/64/87/1020086487.db2.gz IOYULLIMSNBIPU-UHFFFAOYSA-N 1 0 302.805 3.609 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001203556513 1020097452 /nfs/dbraw/zinc/09/74/52/1020097452.db2.gz RGLXYRDXKJNSBX-INIZCTEOSA-N 1 0 303.402 3.821 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000922543193 1020122124 /nfs/dbraw/zinc/12/21/24/1020122124.db2.gz NJHPIXIVUONFMW-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000765992300 1020126453 /nfs/dbraw/zinc/12/64/53/1020126453.db2.gz IFWTXOQZYACQMP-IRXDYDNUSA-N 1 0 322.880 3.788 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000186241895 1020170027 /nfs/dbraw/zinc/17/00/27/1020170027.db2.gz IAPVZWVSYDLCOE-AWEZNQCLSA-N 1 0 322.449 3.736 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000732184677 1020209988 /nfs/dbraw/zinc/20/99/88/1020209988.db2.gz CVYLSJNXLGARSK-ZBFHGGJFSA-N 1 0 305.462 3.997 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000765995298 1020211606 /nfs/dbraw/zinc/21/16/06/1020211606.db2.gz UFMYNQWGQZJFSZ-GUYCJALGSA-N 1 0 322.880 3.788 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)cc1 ZINC000186309356 1020227790 /nfs/dbraw/zinc/22/77/90/1020227790.db2.gz FVQBUVCCKUDMLD-OAHLLOKOSA-N 1 0 302.462 3.832 20 10 DHCDRO CN(Cc1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411000 1020241183 /nfs/dbraw/zinc/24/11/83/1020241183.db2.gz POGZXRGBFHUKMW-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922732925 1020245002 /nfs/dbraw/zinc/24/50/02/1020245002.db2.gz XKCSIQARVHHJAL-GOEBONIOSA-N 1 0 312.379 3.965 20 10 DHCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732820564 1020287685 /nfs/dbraw/zinc/28/76/85/1020287685.db2.gz LJRZEAZNKBOJCX-QRWLVFNGSA-N 1 0 313.441 3.946 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCS1 ZINC000922839492 1020303813 /nfs/dbraw/zinc/30/38/13/1020303813.db2.gz UCMKAIOQKVIMKL-NXEZZACHSA-N 1 0 316.264 3.528 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2C)c(O)c1OC ZINC000892432568 1020307773 /nfs/dbraw/zinc/30/77/73/1020307773.db2.gz RGPCDKNUCMEXLY-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H]([NH2+]CCOCC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000765812739 1020311953 /nfs/dbraw/zinc/31/19/53/1020311953.db2.gz XTROWHKZEULUHR-CQSZACIVSA-N 1 0 303.446 3.738 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000732986620 1020312485 /nfs/dbraw/zinc/31/24/85/1020312485.db2.gz FXEUKCYUDITSRC-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000733029696 1020316734 /nfs/dbraw/zinc/31/67/34/1020316734.db2.gz KFCOWNCJQJUOCR-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO CCn1ccnc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000733197845 1020344274 /nfs/dbraw/zinc/34/42/74/1020344274.db2.gz CQTVXZDUOHKEKP-UHFFFAOYSA-N 1 0 313.445 3.944 20 10 DHCDRO C[C@H](COc1cccc(F)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325689 1020372287 /nfs/dbraw/zinc/37/22/87/1020372287.db2.gz TZHMCEUEJNHODQ-CYBMUJFWSA-N 1 0 320.383 3.588 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000179583587 1020412763 /nfs/dbraw/zinc/41/27/63/1020412763.db2.gz PUFATYFXCJPSOF-CQSZACIVSA-N 1 0 303.789 3.699 20 10 DHCDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000858462058 1032906537 /nfs/dbraw/zinc/90/65/37/1032906537.db2.gz RRLMNYSTELUJDK-AWEZNQCLSA-N 1 0 320.864 3.793 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000186796392 1020480554 /nfs/dbraw/zinc/48/05/54/1020480554.db2.gz WAWGIIKHZJJIPN-POZUXBRTSA-N 1 0 320.452 3.770 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000766030758 1020493448 /nfs/dbraw/zinc/49/34/48/1020493448.db2.gz XCPWIWYSVVRGGQ-OAHLLOKOSA-N 1 0 310.441 3.942 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c(O)c1OC ZINC000892488678 1020512375 /nfs/dbraw/zinc/51/23/75/1020512375.db2.gz SYLMLLARXWCWTM-HNNXBMFYSA-N 1 0 319.426 3.712 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000162244116 1020517081 /nfs/dbraw/zinc/51/70/81/1020517081.db2.gz BIQJBZVFGKRZOR-UHFFFAOYSA-N 1 0 324.468 3.670 20 10 DHCDRO C[NH+](C)CCOc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000378898910 1020523776 /nfs/dbraw/zinc/52/37/76/1020523776.db2.gz VYFKXLIRQKXVNN-UHFFFAOYSA-N 1 0 320.820 3.598 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734161450 1020569469 /nfs/dbraw/zinc/56/94/69/1020569469.db2.gz RRSBXBKDUVPBSX-OAQYLSRUSA-N 1 0 324.468 3.574 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)c(O)c1OC ZINC000892510257 1020677576 /nfs/dbraw/zinc/67/75/76/1020677576.db2.gz VXFRFRTVWMBMLH-NSHDSACASA-N 1 0 321.442 3.939 20 10 DHCDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1C ZINC000735085652 1020689791 /nfs/dbraw/zinc/68/97/91/1020689791.db2.gz GFSOSLKNMYYQGT-UHFFFAOYSA-N 1 0 312.388 3.956 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735323594 1020719643 /nfs/dbraw/zinc/71/96/43/1020719643.db2.gz GBWXBIWRRSOPBL-ZDUSSCGKSA-N 1 0 301.817 3.940 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000735508570 1020741909 /nfs/dbraw/zinc/74/19/09/1020741909.db2.gz FRRYZCSKBDLMOD-OAHLLOKOSA-N 1 0 301.411 3.728 20 10 DHCDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000735678625 1020758296 /nfs/dbraw/zinc/75/82/96/1020758296.db2.gz YETNKKIZFZXQKH-MLGOLLRUSA-N 1 0 311.853 3.977 20 10 DHCDRO C[C@H]1SCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000735668497 1020760364 /nfs/dbraw/zinc/76/03/64/1020760364.db2.gz JYLSQRJRDGTEAS-NWDGAFQWSA-N 1 0 309.475 3.721 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000177931243 1020859988 /nfs/dbraw/zinc/85/99/88/1020859988.db2.gz VEOAKZRVGKKJCF-WMZOPIPTSA-N 1 0 302.462 3.897 20 10 DHCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCCO1 ZINC000738062438 1020862935 /nfs/dbraw/zinc/86/29/35/1020862935.db2.gz YTGUCGJDGLAIKU-AWEZNQCLSA-N 1 0 311.381 3.902 20 10 DHCDRO C[NH+](C)[C@H]1CCCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000738144611 1020862960 /nfs/dbraw/zinc/86/29/60/1020862960.db2.gz QTYZIILOZKQQSJ-HNNXBMFYSA-N 1 0 324.424 3.818 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)Cc2cnccn2)c(C)n1-c1ccccc1 ZINC000858542189 1032939165 /nfs/dbraw/zinc/93/91/65/1032939165.db2.gz IXABGEJJUXBLJF-HNNXBMFYSA-N 1 0 320.440 3.605 20 10 DHCDRO CSc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000282265017 1020904581 /nfs/dbraw/zinc/90/45/81/1020904581.db2.gz PMYYONWSRZLKRI-NSHDSACASA-N 1 0 317.410 3.694 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1C ZINC000741258959 1020995595 /nfs/dbraw/zinc/99/55/95/1020995595.db2.gz SMHBVLRJWIZKIV-IBGZPJMESA-N 1 0 321.424 3.731 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000741753274 1021049295 /nfs/dbraw/zinc/04/92/95/1021049295.db2.gz RHFXWRZMYRBIJV-FQEVSTJZSA-N 1 0 310.441 3.716 20 10 DHCDRO CCc1cc(C[NH+]2CCC(O)(CC)CC2)c(O)c(C(C)(C)C)c1 ZINC000742176030 1021098987 /nfs/dbraw/zinc/09/89/87/1021098987.db2.gz QVHDPGHPTKKNJA-UHFFFAOYSA-N 1 0 319.489 3.989 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccccc1F ZINC000742381351 1021109573 /nfs/dbraw/zinc/10/95/73/1021109573.db2.gz RTGONFZJTPIASQ-LLVKDONJSA-N 1 0 309.768 3.742 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCCC2 ZINC000742390998 1021111274 /nfs/dbraw/zinc/11/12/74/1021111274.db2.gz YOHMQGNUAFLVGY-JKSUJKDBSA-N 1 0 309.837 3.873 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000742377150 1021114739 /nfs/dbraw/zinc/11/47/39/1021114739.db2.gz NETNKQBOUXHXHM-FUHWJXTLSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000742378122 1021115650 /nfs/dbraw/zinc/11/56/50/1021115650.db2.gz BROGUAMFFIFFAR-OAHLLOKOSA-N 1 0 316.420 3.757 20 10 DHCDRO COc1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1C ZINC000742718237 1021157805 /nfs/dbraw/zinc/15/78/05/1021157805.db2.gz MRWQMPCEPIHJDA-UHFFFAOYSA-N 1 0 310.441 3.546 20 10 DHCDRO CCC(CC)[C@@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000917394720 1021247755 /nfs/dbraw/zinc/24/77/55/1021247755.db2.gz PVTZHGKSMGKSBK-LJQANCHMSA-N 1 0 316.489 3.612 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1C(C)C ZINC000743405160 1021286931 /nfs/dbraw/zinc/28/69/31/1021286931.db2.gz GVFCTTWMVNLYPI-UHFFFAOYSA-N 1 0 303.446 3.827 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(C#N)cc1 ZINC000181773773 1021343760 /nfs/dbraw/zinc/34/37/60/1021343760.db2.gz AGCOYIBVGUNYOU-LBPRGKRZSA-N 1 0 303.456 3.848 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000924588570 1021344966 /nfs/dbraw/zinc/34/49/66/1021344966.db2.gz KSIOGLWKAFSUJB-MRXNPFEDSA-N 1 0 320.440 3.777 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154484298 1021346902 /nfs/dbraw/zinc/34/69/02/1021346902.db2.gz CLPKFIRFMHSETI-RDTXWAMCSA-N 1 0 308.441 3.628 20 10 DHCDRO CCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC000743870197 1021395970 /nfs/dbraw/zinc/39/59/70/1021395970.db2.gz KVSCCTWIFUTTHN-UHFFFAOYSA-N 1 0 311.425 3.782 20 10 DHCDRO COc1cc(C[NH2+]Cc2scnc2C)c(O)c(C(C)(C)C)c1 ZINC000850121785 1021423843 /nfs/dbraw/zinc/42/38/43/1021423843.db2.gz YFHHLBZZOBNBIJ-UHFFFAOYSA-N 1 0 320.458 3.753 20 10 DHCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850167546 1021429752 /nfs/dbraw/zinc/42/97/52/1021429752.db2.gz DXGRJTMHAOFFET-UKRRQHHQSA-N 1 0 323.477 3.585 20 10 DHCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850167548 1021430551 /nfs/dbraw/zinc/43/05/51/1021430551.db2.gz DXGRJTMHAOFFET-ZFWWWQNUSA-N 1 0 323.477 3.585 20 10 DHCDRO COc1cc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850233992 1021449012 /nfs/dbraw/zinc/44/90/12/1021449012.db2.gz NXWPKLLAPOJCBT-STQMWFEESA-N 1 0 321.461 3.744 20 10 DHCDRO COc1cc(C[NH2+]CCC[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850317654 1021473390 /nfs/dbraw/zinc/47/33/90/1021473390.db2.gz UEKOXOCREOXGRA-AWEZNQCLSA-N 1 0 321.461 3.605 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CS[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850326056 1021474685 /nfs/dbraw/zinc/47/46/85/1021474685.db2.gz SPWOPQRTISYPGW-DGCLKSJQSA-N 1 0 309.475 3.682 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850326008 1021475517 /nfs/dbraw/zinc/47/55/17/1021475517.db2.gz GJBFHUBFKYOUHE-CYBMUJFWSA-N 1 0 321.461 3.746 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000850341574 1021478732 /nfs/dbraw/zinc/47/87/32/1021478732.db2.gz LFTJYJJQRQRCBP-KRWDZBQOSA-N 1 0 309.457 3.965 20 10 DHCDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(OC)c1O ZINC000850343549 1021481020 /nfs/dbraw/zinc/48/10/20/1021481020.db2.gz UNPFLCCNPYATNC-MRXNPFEDSA-N 1 0 303.377 3.651 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C)C2)cc1 ZINC000850347767 1021481350 /nfs/dbraw/zinc/48/13/50/1021481350.db2.gz WZUZSPPZVXIDGE-QGZVFWFLSA-N 1 0 314.404 3.511 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2CC(OC)C2)cc1F ZINC000850342587 1021481898 /nfs/dbraw/zinc/48/18/98/1021481898.db2.gz SZLCVYUNJLGOQD-UHFFFAOYSA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355023 1021483916 /nfs/dbraw/zinc/48/39/16/1021483916.db2.gz BDAKDJBMJUQPCL-OAHLLOKOSA-N 1 0 317.351 3.680 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1C ZINC000850377970 1021498384 /nfs/dbraw/zinc/49/83/84/1021498384.db2.gz QIWMKAHRAJIBOI-OALUTQOASA-N 1 0 311.425 3.671 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC[C@]3(C)CC3(F)F)CC2)cc1 ZINC000850381267 1021500515 /nfs/dbraw/zinc/50/05/15/1021500515.db2.gz ZDFPPIZPJIHWHF-QGZVFWFLSA-N 1 0 324.415 3.689 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)cc1 ZINC000850385244 1021501016 /nfs/dbraw/zinc/50/10/16/1021501016.db2.gz AZERGESCIUKVDB-PXNSSMCTSA-N 1 0 309.457 3.649 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000850391468 1021504279 /nfs/dbraw/zinc/50/42/79/1021504279.db2.gz RKVOSHGMSNUTKH-UHFFFAOYSA-N 1 0 311.372 3.849 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000850388879 1021505938 /nfs/dbraw/zinc/50/59/38/1021505938.db2.gz QVKDLLBKCAQPFS-IRXDYDNUSA-N 1 0 319.445 3.617 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394851 1021506728 /nfs/dbraw/zinc/50/67/28/1021506728.db2.gz GPIZQLPMNKMLHI-UXHICEINSA-N 1 0 313.441 3.857 20 10 DHCDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395200 1021506987 /nfs/dbraw/zinc/50/69/87/1021506987.db2.gz OEYIQBABMSSASK-PMACEKPBSA-N 1 0 312.457 3.600 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394745 1021508551 /nfs/dbraw/zinc/50/85/51/1021508551.db2.gz BQVLHJMBHZWGKK-VQTJNVASSA-N 1 0 313.441 3.851 20 10 DHCDRO CC(C)C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000850406800 1021513229 /nfs/dbraw/zinc/51/32/29/1021513229.db2.gz UNZBYUPUEDZZNW-UHFFFAOYSA-N 1 0 318.505 3.666 20 10 DHCDRO CC1(C)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406120 1021514404 /nfs/dbraw/zinc/51/44/04/1021514404.db2.gz SKCRXDREQSUXRN-UHFFFAOYSA-N 1 0 316.489 3.706 20 10 DHCDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850408792 1021515040 /nfs/dbraw/zinc/51/50/40/1021515040.db2.gz TVOYATVTLHDOGE-QGZVFWFLSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(Cl)c1 ZINC000850412460 1021518488 /nfs/dbraw/zinc/51/84/88/1021518488.db2.gz YMMCKFIZNZABFU-ACJLOTCBSA-N 1 0 319.832 3.608 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419126 1021521922 /nfs/dbraw/zinc/52/19/22/1021521922.db2.gz BQVLALABTVFZKH-OXQOHEQNSA-N 1 0 312.457 3.745 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419124 1021522278 /nfs/dbraw/zinc/52/22/78/1021522278.db2.gz BQVLALABTVFZKH-JXFKEZNVSA-N 1 0 312.457 3.745 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000850430021 1021528859 /nfs/dbraw/zinc/52/88/59/1021528859.db2.gz LCYMGBCDHIGNOI-SFHVURJKSA-N 1 0 300.446 3.586 20 10 DHCDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccn1 ZINC000850483374 1021559313 /nfs/dbraw/zinc/55/93/13/1021559313.db2.gz WQQCQBRJCDAQRK-JMSVASOKSA-N 1 0 300.377 3.868 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCC(F)(F)F)C2)cc1 ZINC000850487423 1021560841 /nfs/dbraw/zinc/56/08/41/1021560841.db2.gz GYTWYXIVTJEOKW-CHWSQXEVSA-N 1 0 316.367 3.595 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000850488291 1021560968 /nfs/dbraw/zinc/56/09/68/1021560968.db2.gz MTERHSCQQIHGSR-KGLIPLIRSA-N 1 0 317.351 3.613 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850499921 1021562767 /nfs/dbraw/zinc/56/27/67/1021562767.db2.gz ALNRVIDRIQSOCB-MRXNPFEDSA-N 1 0 324.472 3.599 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850502194 1021565992 /nfs/dbraw/zinc/56/59/92/1021565992.db2.gz SRMZWYQBFZCKEN-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850502193 1021566179 /nfs/dbraw/zinc/56/61/79/1021566179.db2.gz SRMZWYQBFZCKEN-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000850504850 1021566815 /nfs/dbraw/zinc/56/68/15/1021566815.db2.gz GLLPEKXGHQVYEU-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850535299 1021590539 /nfs/dbraw/zinc/59/05/39/1021590539.db2.gz UPXRHJQDJHQDBY-AWEZNQCLSA-N 1 0 312.461 3.604 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892742046 1021591551 /nfs/dbraw/zinc/59/15/51/1021591551.db2.gz TXQJGKFAVDTLAI-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554928 1021601732 /nfs/dbraw/zinc/60/17/32/1021601732.db2.gz HWDDJBCBYMBOGR-UGSOOPFHSA-N 1 0 306.425 3.502 20 10 DHCDRO C[C@H]([NH2+]CC1SCCS1)c1cc2c(cc1O)CCCC2 ZINC000850559744 1021603345 /nfs/dbraw/zinc/60/33/45/1021603345.db2.gz FTDSZSVAKDIBCJ-NSHDSACASA-N 1 0 309.500 3.728 20 10 DHCDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565844 1021609092 /nfs/dbraw/zinc/60/90/92/1021609092.db2.gz IGWACHGDJJUIBC-FUHWJXTLSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568425 1021610994 /nfs/dbraw/zinc/61/09/94/1021610994.db2.gz XJFMHOLYZXATEG-JXXFODFXSA-N 1 0 316.489 3.562 20 10 DHCDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566818 1021611164 /nfs/dbraw/zinc/61/11/64/1021611164.db2.gz SXVOLJAXKWVZFU-MRXNPFEDSA-N 1 0 304.478 3.706 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567981 1021611241 /nfs/dbraw/zinc/61/12/41/1021611241.db2.gz NDCBXSAJGJKXRU-OAHLLOKOSA-N 1 0 304.478 3.562 20 10 DHCDRO C[C@@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1O ZINC000850570414 1021612984 /nfs/dbraw/zinc/61/29/84/1021612984.db2.gz IIACFLZVDDMDCO-SECBINFHSA-N 1 0 303.880 3.892 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850583241 1021621837 /nfs/dbraw/zinc/62/18/37/1021621837.db2.gz KCFUWMZWVGXIKJ-JKDFXYPNSA-N 1 0 305.805 3.818 20 10 DHCDRO CCCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001236138462 1021663259 /nfs/dbraw/zinc/66/32/59/1021663259.db2.gz IEJXHOQKVKWONQ-ZDUSSCGKSA-N 1 0 317.260 3.663 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@H](CC)c1ccccc1O)CC(C)C ZINC000155021916 1021819438 /nfs/dbraw/zinc/81/94/38/1021819438.db2.gz OEDCIXGOROQAOA-GOEBONIOSA-N 1 0 322.449 3.594 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C1CCOCC1 ZINC000746053433 1021839361 /nfs/dbraw/zinc/83/93/61/1021839361.db2.gz BRLNIECHALSIBX-SFHVURJKSA-N 1 0 322.468 3.967 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065430402 1021887593 /nfs/dbraw/zinc/88/75/93/1021887593.db2.gz NHQWCUXHPULZCY-HNNXBMFYSA-N 1 0 314.404 3.513 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000763603772 1021934668 /nfs/dbraw/zinc/93/46/68/1021934668.db2.gz DAUGWAGDOBXDGA-KRWDZBQOSA-N 1 0 321.484 3.588 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000756337966 1021943913 /nfs/dbraw/zinc/94/39/13/1021943913.db2.gz ZXUDYQVVJPVNJE-GOSISDBHSA-N 1 0 303.446 3.954 20 10 DHCDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756357582 1022069815 /nfs/dbraw/zinc/06/98/15/1022069815.db2.gz FGUFVAYYYKBWIL-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)c1 ZINC000179657630 1022072140 /nfs/dbraw/zinc/07/21/40/1022072140.db2.gz NTOXLVNGHYYNRG-SFHVURJKSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000920181078 1022072129 /nfs/dbraw/zinc/07/21/29/1022072129.db2.gz XAPHZQXXTCAYCW-AEFFLSMTSA-N 1 0 316.489 3.828 20 10 DHCDRO C[N@H+](CCCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071124004 1022078865 /nfs/dbraw/zinc/07/88/65/1022078865.db2.gz DJRFVKANIZJIDO-UHFFFAOYSA-N 1 0 324.468 3.588 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000766368533 1022084708 /nfs/dbraw/zinc/08/47/08/1022084708.db2.gz IOJNAFUUTHONHY-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1ccccc1O ZINC000183325750 1022108406 /nfs/dbraw/zinc/10/84/06/1022108406.db2.gz SKCCUDKLRJWSEO-KRWDZBQOSA-N 1 0 301.386 3.521 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000180208153 1022118295 /nfs/dbraw/zinc/11/82/95/1022118295.db2.gz FWYQDZGPOVROMF-KRWDZBQOSA-N 1 0 300.377 3.608 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2sccc2C1 ZINC000183455812 1022147048 /nfs/dbraw/zinc/14/70/48/1022147048.db2.gz QTUNFNUWTZLSSZ-KGLIPLIRSA-N 1 0 316.470 3.551 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001168844448 1022158588 /nfs/dbraw/zinc/15/85/88/1022158588.db2.gz MEVKGULKUQYOFD-UHFFFAOYSA-N 1 0 316.408 3.892 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763621240 1022159167 /nfs/dbraw/zinc/15/91/67/1022159167.db2.gz JRKYIMQUAADANE-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1O ZINC000183514590 1022169054 /nfs/dbraw/zinc/16/90/54/1022169054.db2.gz XDQJTURKJWKINN-MLGOLLRUSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000183517146 1022169946 /nfs/dbraw/zinc/16/99/46/1022169946.db2.gz UQLPIBURRHGGGK-GDBMZVCRSA-N 1 0 314.404 3.851 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000853093769 1022219917 /nfs/dbraw/zinc/21/99/17/1022219917.db2.gz QZMNHRJXSCYLND-UHFFFAOYSA-N 1 0 314.477 3.819 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000008675512 1022237646 /nfs/dbraw/zinc/23/76/46/1022237646.db2.gz RTUHAYMCEKCQIH-UHFFFAOYSA-N 1 0 322.408 3.764 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)c1ccccc1 ZINC000111232828 1022253669 /nfs/dbraw/zinc/25/36/69/1022253669.db2.gz SVPDNIRZAUHWHU-FQEVSTJZSA-N 1 0 323.392 3.721 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861434 1022347201 /nfs/dbraw/zinc/34/72/01/1022347201.db2.gz WQYVPQZOCQBKFO-FOIQADDNSA-N 1 0 321.424 3.874 20 10 DHCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179573347 1022467886 /nfs/dbraw/zinc/46/78/86/1022467886.db2.gz BUTSHQBQXOJHAN-YLJYHZDGSA-N 1 0 324.468 3.877 20 10 DHCDRO Oc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000179569291 1022468622 /nfs/dbraw/zinc/46/86/22/1022468622.db2.gz HKHBXIXBHOWMGS-UHFFFAOYSA-N 1 0 309.365 3.893 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000179608405 1022485639 /nfs/dbraw/zinc/48/56/39/1022485639.db2.gz LHAGKPOKTULZIH-INIZCTEOSA-N 1 0 317.454 3.943 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](CCn1cccn1)Cc1ccccc1O ZINC000179645093 1022495712 /nfs/dbraw/zinc/49/57/12/1022495712.db2.gz NRVTVKOAIDETPT-QGZVFWFLSA-N 1 0 321.424 3.852 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000179661616 1022502261 /nfs/dbraw/zinc/50/22/61/1022502261.db2.gz AIAPOZUVOFVKFM-UHFFFAOYSA-N 1 0 317.335 3.652 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001169753951 1022531656 /nfs/dbraw/zinc/53/16/56/1022531656.db2.gz DZEPVAMZFZZSPS-HHXXYDBFSA-N 1 0 303.446 3.952 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000179799766 1022543978 /nfs/dbraw/zinc/54/39/78/1022543978.db2.gz SJDVKMHRYIVSEW-UHFFFAOYSA-N 1 0 324.468 3.934 20 10 DHCDRO CC[C@H](C)[C@H](C)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000180068173 1022629066 /nfs/dbraw/zinc/62/90/66/1022629066.db2.gz PSAXJXIZGMFHEE-STQMWFEESA-N 1 0 307.434 3.808 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000130829007 1022636940 /nfs/dbraw/zinc/63/69/40/1022636940.db2.gz HSBDUXIIFFTLPI-GTNSWQLSSA-N 1 0 323.795 3.787 20 10 DHCDRO CSCCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691439077 1022700024 /nfs/dbraw/zinc/70/00/24/1022700024.db2.gz BBAIEBOWIJEATO-UHFFFAOYSA-N 1 0 318.280 3.778 20 10 DHCDRO CCC1(CC)C[N@H+](Cc2cc(C)cc(OC)c2O)CCS1 ZINC000767479673 1022728574 /nfs/dbraw/zinc/72/85/74/1022728574.db2.gz OOKBCODBOPPSJH-UHFFFAOYSA-N 1 0 309.475 3.817 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000076275408 1022754967 /nfs/dbraw/zinc/75/49/67/1022754967.db2.gz YTMLTVHTUCXEBN-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000188857207 1022810323 /nfs/dbraw/zinc/81/03/23/1022810323.db2.gz YJQLRGZMQZPNPL-MJGOQNOKSA-N 1 0 304.478 3.564 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccc(Cl)cc1 ZINC000742386797 1022829591 /nfs/dbraw/zinc/82/95/91/1022829591.db2.gz BWAJTQSIPMOYNI-ZDUSSCGKSA-N 1 0 317.816 3.832 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000068980215 1022840661 /nfs/dbraw/zinc/84/06/61/1022840661.db2.gz WMAGPGMHNKEXLS-UHFFFAOYSA-N 1 0 318.214 3.934 20 10 DHCDRO CC[N@H+](Cc1cnc2c(C)cccn12)Cc1ccc(N(C)C)cc1 ZINC000768133997 1022901427 /nfs/dbraw/zinc/90/14/27/1022901427.db2.gz NRTGZKFCEYLXAM-UHFFFAOYSA-N 1 0 322.456 3.731 20 10 DHCDRO CC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768132524 1022901669 /nfs/dbraw/zinc/90/16/69/1022901669.db2.gz GOLCTRQXFNAJTN-UHFFFAOYSA-N 1 0 322.456 3.661 20 10 DHCDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000876557648 1033091072 /nfs/dbraw/zinc/09/10/72/1033091072.db2.gz CIMVKAGIWSYTPZ-HXUWFJFHSA-N 1 0 311.425 3.646 20 10 DHCDRO COc1cccc(C[N@H+](C)CCOc2ccc(Cl)cc2)c1O ZINC000768175383 1022913797 /nfs/dbraw/zinc/91/37/97/1022913797.db2.gz ORDBHPWKLAHIPW-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC000768240766 1022924038 /nfs/dbraw/zinc/92/40/38/1022924038.db2.gz FIQIRKPSQKZEKP-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO COc1ccc(OCC[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000768197360 1022924503 /nfs/dbraw/zinc/92/45/03/1022924503.db2.gz HYLHYSQNGKYNLD-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO c1cnn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000092617664 1022925450 /nfs/dbraw/zinc/92/54/50/1022925450.db2.gz YWHZQOUCZISHKO-UHFFFAOYSA-N 1 0 324.472 3.711 20 10 DHCDRO C[N@H+](CCOc1ccccc1F)Cc1c(O)cccc1Cl ZINC000768213962 1022926925 /nfs/dbraw/zinc/92/69/25/1022926925.db2.gz XAGPDJBYPDCVNN-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000768257598 1022932657 /nfs/dbraw/zinc/93/26/57/1022932657.db2.gz NSRWTUGKVFLNDB-UHFFFAOYSA-N 1 0 320.440 3.794 20 10 DHCDRO COc1ccccc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258206 1022937030 /nfs/dbraw/zinc/93/70/30/1022937030.db2.gz URHASJKUVNJUPF-UHFFFAOYSA-N 1 0 310.441 3.926 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)cc1O ZINC000857081688 1022946916 /nfs/dbraw/zinc/94/69/16/1022946916.db2.gz QDHKPYVNNOCNQM-IUCAKERBSA-N 1 0 320.177 3.851 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000768329877 1022947695 /nfs/dbraw/zinc/94/76/95/1022947695.db2.gz IWNQEQFFOVTZPP-INIZCTEOSA-N 1 0 301.361 3.877 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC ZINC000768439441 1022967508 /nfs/dbraw/zinc/96/75/08/1022967508.db2.gz LZPULRBAHVYRPB-CWRNSKLLSA-N 1 0 319.445 3.810 20 10 DHCDRO COc1cc(C[N@H+](C)CCc2ccccc2F)c(O)cc1C ZINC000768447871 1022968677 /nfs/dbraw/zinc/96/86/77/1022968677.db2.gz QNUHQYDDBQUCAL-UHFFFAOYSA-N 1 0 303.377 3.523 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(C)C)C2)cc1OC ZINC000768464436 1022972098 /nfs/dbraw/zinc/97/20/98/1022972098.db2.gz RDYSTIKPFFMMIT-AWEZNQCLSA-N 1 0 307.434 3.668 20 10 DHCDRO COc1cc(O)c(C[N@H+](CC(C)C)CC(C)(C)C)cc1OC ZINC000768463320 1022972231 /nfs/dbraw/zinc/97/22/31/1022972231.db2.gz RNUWITUNJJBVHQ-UHFFFAOYSA-N 1 0 309.450 3.914 20 10 DHCDRO Oc1cc2c(cc1C[N@H+]1CC=C(C(F)(F)F)CC1)CCCC2 ZINC000768466005 1022972920 /nfs/dbraw/zinc/97/29/20/1022972920.db2.gz VEMZSLJGTDDBEU-UHFFFAOYSA-N 1 0 311.347 3.965 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CC(C)C)cc1OC ZINC000768462999 1022973436 /nfs/dbraw/zinc/97/34/36/1022973436.db2.gz DLGAKIBIBQXEPI-OAHLLOKOSA-N 1 0 307.434 3.810 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)CCCC2 ZINC000768463370 1022973841 /nfs/dbraw/zinc/97/38/41/1022973841.db2.gz HNEIMFCGJFXHSA-HXUWFJFHSA-N 1 0 315.457 3.664 20 10 DHCDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768465747 1022974067 /nfs/dbraw/zinc/97/40/67/1022974067.db2.gz KFHZWGVEDIXTPE-UKRRQHHQSA-N 1 0 307.434 3.810 20 10 DHCDRO CCC[N@H+](Cc1ccccc1F)Cc1cccc(OC)c1O ZINC000768486572 1022978974 /nfs/dbraw/zinc/97/89/74/1022978974.db2.gz OCWZJPBBAAMXKQ-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000768520438 1022980669 /nfs/dbraw/zinc/98/06/69/1022980669.db2.gz MYXMBFOWQPCOQQ-UHFFFAOYSA-N 1 0 317.433 3.958 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3o2)c1 ZINC000181229346 1022998873 /nfs/dbraw/zinc/99/88/73/1022998873.db2.gz SHYHSIAAXFMWHJ-NEPJUHHUSA-N 1 0 312.369 3.954 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1sccc1Br)CC2 ZINC000296268458 1023007627 /nfs/dbraw/zinc/00/76/27/1023007627.db2.gz BVWHPLQJNNULQD-LLVKDONJSA-N 1 0 324.243 3.993 20 10 DHCDRO CC[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccccc1O ZINC001237953367 1023028782 /nfs/dbraw/zinc/02/87/82/1023028782.db2.gz YPYWIRNIGIMSEM-UHFFFAOYSA-N 1 0 316.348 3.890 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000123430755 1023039898 /nfs/dbraw/zinc/03/98/98/1023039898.db2.gz CQHLBTYPRWBJJQ-IAGOWNOFSA-N 1 0 300.446 3.530 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC000768930131 1023060290 /nfs/dbraw/zinc/06/02/90/1023060290.db2.gz LKIYNRXJBQINSN-AWEZNQCLSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000184677857 1023062829 /nfs/dbraw/zinc/06/28/29/1023062829.db2.gz SAWSTKJQDISILA-UHFFFAOYSA-N 1 0 323.742 3.829 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC000769106380 1023085107 /nfs/dbraw/zinc/08/51/07/1023085107.db2.gz STULFLSJZLMJSM-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769164359 1023094238 /nfs/dbraw/zinc/09/42/38/1023094238.db2.gz IVKYKHMTDAAHHD-IBGZPJMESA-N 1 0 316.489 3.924 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(OC)cc1OC ZINC000769201305 1023102006 /nfs/dbraw/zinc/10/20/06/1023102006.db2.gz RLJPMKSYZGHFOW-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(O)c1 ZINC000876616537 1033105292 /nfs/dbraw/zinc/10/52/92/1033105292.db2.gz ZEDXFSCWAGGALH-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000769336827 1023114027 /nfs/dbraw/zinc/11/40/27/1023114027.db2.gz BNILMTKFPWPLLS-UHFFFAOYSA-N 1 0 304.478 3.517 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184779753 1023115693 /nfs/dbraw/zinc/11/56/93/1023115693.db2.gz QACAEVMXHVEUHE-UHFFFAOYSA-N 1 0 311.360 3.506 20 10 DHCDRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769311206 1023119527 /nfs/dbraw/zinc/11/95/27/1023119527.db2.gz ZQJZTBKKOYPINN-OXQOHEQNSA-N 1 0 310.441 3.715 20 10 DHCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCOC1 ZINC000749963527 1023122551 /nfs/dbraw/zinc/12/25/51/1023122551.db2.gz IHCZTFLRSCODOM-ZDUSSCGKSA-N 1 0 311.381 3.760 20 10 DHCDRO CCC1(CC)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769398133 1023150842 /nfs/dbraw/zinc/15/08/42/1023150842.db2.gz GPQUIKZBQCWWDF-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1 ZINC000769456542 1023157917 /nfs/dbraw/zinc/15/79/17/1023157917.db2.gz KYOJICBBUHTEQZ-LJQANCHMSA-N 1 0 313.441 3.720 20 10 DHCDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769458663 1023159842 /nfs/dbraw/zinc/15/98/42/1023159842.db2.gz XUIUVWYAPOJOBG-GOSISDBHSA-N 1 0 302.462 3.678 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000769537127 1023175477 /nfs/dbraw/zinc/17/54/77/1023175477.db2.gz HRIJQMPJWNMFCX-UHFFFAOYSA-N 1 0 315.413 3.820 20 10 DHCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000769871606 1023234866 /nfs/dbraw/zinc/23/48/66/1023234866.db2.gz YTFHKABIGGUTLN-AWEZNQCLSA-N 1 0 313.445 3.996 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000769929614 1023249213 /nfs/dbraw/zinc/24/92/13/1023249213.db2.gz DQZPHLFNAZOJOM-OXQOHEQNSA-N 1 0 312.457 3.790 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc2ccccc2c1O ZINC000769988123 1023257759 /nfs/dbraw/zinc/25/77/59/1023257759.db2.gz NCWIIGSQTVFESL-SJKOYZFVSA-N 1 0 313.422 3.991 20 10 DHCDRO C[N@H+](CCOCc1ccccc1)Cc1c(O)cccc1Cl ZINC000770306721 1023294226 /nfs/dbraw/zinc/29/42/26/1023294226.db2.gz PIVHIMNCDBGGLR-UHFFFAOYSA-N 1 0 305.805 3.694 20 10 DHCDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000770429802 1023310395 /nfs/dbraw/zinc/31/03/95/1023310395.db2.gz NVQGJCRFDFYVAJ-HNNXBMFYSA-N 1 0 303.789 3.886 20 10 DHCDRO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3O)[C@@H](C)CO2)c1 ZINC000770506157 1023316395 /nfs/dbraw/zinc/31/63/95/1023316395.db2.gz VTTXOYCJTWBZPQ-OXJNMPFZSA-N 1 0 311.425 3.971 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000770746740 1023347794 /nfs/dbraw/zinc/34/77/94/1023347794.db2.gz OBFLQQHRSYCNMP-KUHUBIRLSA-N 1 0 316.420 3.758 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876805389 1033146910 /nfs/dbraw/zinc/14/69/10/1033146910.db2.gz ZQPSIWDTOJEIQX-RHSMWYFYSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000785512276 1023585767 /nfs/dbraw/zinc/58/57/67/1023585767.db2.gz RUGYCLMQVGKXBG-LBPRGKRZSA-N 1 0 301.459 3.937 20 10 DHCDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000178414383 1023588748 /nfs/dbraw/zinc/58/87/48/1023588748.db2.gz YWNAFMVLNPPCJC-SFHVURJKSA-N 1 0 315.505 3.813 20 10 DHCDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c(O)cccc1OC ZINC000785985996 1023649575 /nfs/dbraw/zinc/64/95/75/1023649575.db2.gz ZQONJCPNMGBPTK-UHFFFAOYSA-N 1 0 310.397 3.904 20 10 DHCDRO CC1(C)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000236742905 1023692880 /nfs/dbraw/zinc/69/28/80/1023692880.db2.gz YGLZHNLGYUXLFH-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000786574885 1023711166 /nfs/dbraw/zinc/71/11/66/1023711166.db2.gz HRGSYLAWGMAWJD-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)c(O)c1 ZINC000093415094 1023720562 /nfs/dbraw/zinc/72/05/62/1023720562.db2.gz QUYZSHOVHAURSC-UHFFFAOYSA-N 1 0 307.434 3.570 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000786915073 1023737144 /nfs/dbraw/zinc/73/71/44/1023737144.db2.gz DMVHCBBZLZOMAW-CRAIPNDOSA-N 1 0 310.441 3.797 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccccc1Cl)c1cc(F)ccc1O ZINC000756770587 1023768585 /nfs/dbraw/zinc/76/85/85/1023768585.db2.gz WKLQUXYZABNGLC-NSHDSACASA-N 1 0 309.768 3.914 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccc(F)cn1)C1CCCC1 ZINC000787247338 1023776316 /nfs/dbraw/zinc/77/63/16/1023776316.db2.gz UPNQBXHWPZBIJP-UHFFFAOYSA-N 1 0 300.377 3.871 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(O)c1 ZINC000787416847 1023791334 /nfs/dbraw/zinc/79/13/34/1023791334.db2.gz HWMYIYCHDLTRGU-CQSZACIVSA-N 1 0 317.351 3.954 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1 ZINC000788072208 1023849457 /nfs/dbraw/zinc/84/94/57/1023849457.db2.gz RBVPNJXZNUROGF-UHFFFAOYSA-N 1 0 320.383 3.686 20 10 DHCDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151923683 1033491190 /nfs/dbraw/zinc/49/11/90/1033491190.db2.gz KDZORORLZKDQHE-IAGOWNOFSA-N 1 0 304.478 3.736 20 10 DHCDRO CN1CCCc2cc(C[NH2+]C3CCC4(CCCO4)CC3)ccc21 ZINC000788245424 1023864098 /nfs/dbraw/zinc/86/40/98/1023864098.db2.gz YODFQDDDQUNZCY-UHFFFAOYSA-N 1 0 314.473 3.650 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000788268472 1023869550 /nfs/dbraw/zinc/86/95/50/1023869550.db2.gz ZGOWQMKTPYUBHX-OAHLLOKOSA-N 1 0 321.852 3.617 20 10 DHCDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000788610328 1023907924 /nfs/dbraw/zinc/90/79/24/1023907924.db2.gz LINNBMZEIGNJEZ-GFCCVEGCSA-N 1 0 309.837 3.639 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2O ZINC000788606070 1023912490 /nfs/dbraw/zinc/91/24/90/1023912490.db2.gz VBSMVQYXBGYTGR-GXTWGEPZSA-N 1 0 319.420 3.612 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c(O)c1 ZINC000788630021 1023916948 /nfs/dbraw/zinc/91/69/48/1023916948.db2.gz DRJQUJNPTBTFFB-QLFBSQMISA-N 1 0 303.402 3.765 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(O)c1 ZINC000788804509 1023936272 /nfs/dbraw/zinc/93/62/72/1023936272.db2.gz ILXGPZQWJOZIGV-KLAILNCOSA-N 1 0 302.462 3.677 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000788784171 1023939128 /nfs/dbraw/zinc/93/91/28/1023939128.db2.gz PHZFZPJQSRUTLV-KBPBESRZSA-N 1 0 322.449 3.573 20 10 DHCDRO CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000788982320 1023958642 /nfs/dbraw/zinc/95/86/42/1023958642.db2.gz XDOLOAXLQFBIGF-XZNOPERXSA-N 1 0 307.409 3.874 20 10 DHCDRO CSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000193820047 1023975187 /nfs/dbraw/zinc/97/51/87/1023975187.db2.gz RMJONSCJVRVUAE-VIFPVBQESA-N 1 0 316.264 3.701 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000876928646 1033183699 /nfs/dbraw/zinc/18/36/99/1033183699.db2.gz LITOZAJCCOMPBI-UHFFFAOYSA-N 1 0 311.425 3.539 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC000876906389 1033181838 /nfs/dbraw/zinc/18/18/38/1033181838.db2.gz YCNDJBYUVAKYQF-UHFFFAOYSA-N 1 0 324.255 3.931 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1C(C)C ZINC000789506805 1024103892 /nfs/dbraw/zinc/10/38/92/1024103892.db2.gz NPTOLEPEWTZIJA-PKOBYXMFSA-N 1 0 303.446 3.967 20 10 DHCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000789584866 1024120256 /nfs/dbraw/zinc/12/02/56/1024120256.db2.gz SFZFTSCTFUORMS-HNNXBMFYSA-N 1 0 319.832 3.735 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000789586084 1024120458 /nfs/dbraw/zinc/12/04/58/1024120458.db2.gz JUGKCKQWSIVSCP-LJQANCHMSA-N 1 0 313.441 3.699 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000789769317 1024160872 /nfs/dbraw/zinc/16/08/72/1024160872.db2.gz OBIIJSCDPPRDAT-OAHLLOKOSA-N 1 0 314.404 3.538 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000789771870 1024170765 /nfs/dbraw/zinc/17/07/65/1024170765.db2.gz YGFMKVYBDVKKGJ-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C[C@H](C)O ZINC000268943481 1024198394 /nfs/dbraw/zinc/19/83/94/1024198394.db2.gz AQDFIMXTDXERLW-OWCLPIDISA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(N2CCCCCC2)cc1 ZINC000268976130 1024210002 /nfs/dbraw/zinc/21/00/02/1024210002.db2.gz AXMVWTLEVWIBIB-DLBZAZTESA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)COC2 ZINC000268995730 1024216293 /nfs/dbraw/zinc/21/62/93/1024216293.db2.gz KKGZGTDJRDRGSS-OAHLLOKOSA-N 1 0 322.452 3.950 20 10 DHCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000790451994 1024304496 /nfs/dbraw/zinc/30/44/96/1024304496.db2.gz OBBSGHPCATZTLZ-UHFFFAOYSA-N 1 0 304.393 3.807 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@H]2CCCOC2)ccc1OC ZINC000883352881 1024397451 /nfs/dbraw/zinc/39/74/51/1024397451.db2.gz JURWFDGCWPHEIU-FUHWJXTLSA-N 1 0 321.461 3.527 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)ccc1OC ZINC000883352880 1024398058 /nfs/dbraw/zinc/39/80/58/1024398058.db2.gz JURWFDGCWPHEIU-AEFFLSMTSA-N 1 0 321.461 3.527 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000883352682 1024398275 /nfs/dbraw/zinc/39/82/75/1024398275.db2.gz GHWGTHDTNHYOGM-PAPYEOQZSA-N 1 0 307.409 3.874 20 10 DHCDRO CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(N(C)C)cc1 ZINC000883379308 1024410611 /nfs/dbraw/zinc/41/06/11/1024410611.db2.gz WGWWCMNDLJECEB-GOSISDBHSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c(O)c1 ZINC000883382688 1024415745 /nfs/dbraw/zinc/41/57/45/1024415745.db2.gz LIFHBOAPCFODTQ-MJGOQNOKSA-N 1 0 315.388 3.906 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000877024487 1033209964 /nfs/dbraw/zinc/20/99/64/1033209964.db2.gz FRHARRGAIMQVGN-LJQANCHMSA-N 1 0 302.462 3.582 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000271281362 1024482954 /nfs/dbraw/zinc/48/29/54/1024482954.db2.gz CMPCNAPUCYLMFG-CQSZACIVSA-N 1 0 301.409 3.918 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000271439952 1024507058 /nfs/dbraw/zinc/50/70/58/1024507058.db2.gz FARHHCLJHKZEMG-LESCRADOSA-N 1 0 304.478 3.997 20 10 DHCDRO CCC(CC)(CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877043301 1033216684 /nfs/dbraw/zinc/21/66/84/1033216684.db2.gz FUVKKPFOFLXSEM-UHFFFAOYSA-N 1 0 304.478 3.706 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000271515589 1024528373 /nfs/dbraw/zinc/52/83/73/1024528373.db2.gz UAGCGJVUVBVBJT-DLBZAZTESA-N 1 0 312.461 3.613 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2nccs2)cc1 ZINC000271520511 1024528775 /nfs/dbraw/zinc/52/87/75/1024528775.db2.gz QINMPLARDPSLON-CQSZACIVSA-N 1 0 303.475 3.883 20 10 DHCDRO CC(C)(C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877047062 1033220695 /nfs/dbraw/zinc/22/06/95/1033220695.db2.gz UHYBVLCIDWIUDP-UHFFFAOYSA-N 1 0 304.478 3.564 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202618153 1024617205 /nfs/dbraw/zinc/61/72/05/1024617205.db2.gz HCJAGINRXHORQN-OAHLLOKOSA-N 1 0 301.478 3.697 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000877068348 1033227498 /nfs/dbraw/zinc/22/74/98/1033227498.db2.gz PKKPCSNAXCMOHS-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1O ZINC000283478633 1024673192 /nfs/dbraw/zinc/67/31/92/1024673192.db2.gz WXUOIFIAMPCVJB-CXAGYDPISA-N 1 0 318.848 3.999 20 10 DHCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1O ZINC001170417679 1024768043 /nfs/dbraw/zinc/76/80/43/1024768043.db2.gz MHYIZZSQZBGQFG-ZFWWWQNUSA-N 1 0 313.397 3.793 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792836801 1024806088 /nfs/dbraw/zinc/80/60/88/1024806088.db2.gz ZUDLBYKJIDLOCV-UHFFFAOYSA-N 1 0 311.351 3.732 20 10 DHCDRO COCC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCCC1 ZINC001202677589 1024837095 /nfs/dbraw/zinc/83/70/95/1024837095.db2.gz XEHPIGVGAGPGLQ-FPLPWBNLSA-N 1 0 316.489 3.952 20 10 DHCDRO CCCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)c(O)c1 ZINC000116381713 1024859971 /nfs/dbraw/zinc/85/99/71/1024859971.db2.gz GJDQDPSLJCYPEI-UHFFFAOYSA-N 1 0 320.458 3.971 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC000321431477 1024896818 /nfs/dbraw/zinc/89/68/18/1024896818.db2.gz LTJUELUORYQVEE-HNNXBMFYSA-N 1 0 313.372 3.723 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000134787493 1033245283 /nfs/dbraw/zinc/24/52/83/1033245283.db2.gz ANEFTEXOMBKMCO-DUUOMRMWSA-N 1 0 307.821 3.654 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)c1 ZINC000825935170 1033246719 /nfs/dbraw/zinc/24/67/19/1033246719.db2.gz OCEJCXGIMZSSRO-RYUDHWBXSA-N 1 0 312.369 3.954 20 10 DHCDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229281 1024943797 /nfs/dbraw/zinc/94/37/97/1024943797.db2.gz VEPUFLOHUYEDKW-KBPBESRZSA-N 1 0 303.406 3.568 20 10 DHCDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229283 1024944676 /nfs/dbraw/zinc/94/46/76/1024944676.db2.gz VEPUFLOHUYEDKW-ZIAGYGMSSA-N 1 0 303.406 3.568 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)c1 ZINC000825935167 1033247503 /nfs/dbraw/zinc/24/75/03/1033247503.db2.gz OCEJCXGIMZSSRO-NEPJUHHUSA-N 1 0 312.369 3.954 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000793235294 1024951252 /nfs/dbraw/zinc/95/12/52/1024951252.db2.gz FREIZOXKHOLWBV-WOJBJXKFSA-N 1 0 312.457 3.745 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(CC)CCOCC2)cc1 ZINC000320092903 1024957278 /nfs/dbraw/zinc/95/72/78/1024957278.db2.gz DMJLCYSZIKASNT-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793267185 1024965621 /nfs/dbraw/zinc/96/56/21/1024965621.db2.gz AQBYLKZNWCVSSD-GOEBONIOSA-N 1 0 315.388 3.966 20 10 DHCDRO Oc1c(C[NH2+]Cc2cnn(CC3CCC3)c2)ccc2ccccc21 ZINC000897429808 1024971410 /nfs/dbraw/zinc/97/14/10/1024971410.db2.gz MFLVNDJNTOMPDX-UHFFFAOYSA-N 1 0 321.424 3.832 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC2(C)CCC(C)CC2)cc1OC ZINC000793288158 1024973433 /nfs/dbraw/zinc/97/34/33/1024973433.db2.gz IUAILNXFXZEIAG-UHFFFAOYSA-N 1 0 307.434 3.715 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1 ZINC000793342263 1024984783 /nfs/dbraw/zinc/98/47/83/1024984783.db2.gz WUAPOYDSAITTEP-LJQANCHMSA-N 1 0 304.478 3.924 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172566 1025010114 /nfs/dbraw/zinc/01/01/14/1025010114.db2.gz MNVOLRLYCCQEOP-BXUZGUMPSA-N 1 0 310.235 3.919 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120181363 1025013867 /nfs/dbraw/zinc/01/38/67/1025013867.db2.gz FLDLXVKIBFMSFA-AWEZNQCLSA-N 1 0 311.429 3.562 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000793352756 1025019611 /nfs/dbraw/zinc/01/96/11/1025019611.db2.gz NLFXGNJMQGNUHN-YOEHRIQHSA-N 1 0 315.388 3.966 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000134231509 1025028452 /nfs/dbraw/zinc/02/84/52/1025028452.db2.gz VVBJBGUPUQWCJK-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1O ZINC000318944478 1025088002 /nfs/dbraw/zinc/08/80/02/1025088002.db2.gz ZVEWVMGTXMVOGH-ZDUSSCGKSA-N 1 0 317.351 3.954 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000885921226 1025406483 /nfs/dbraw/zinc/40/64/83/1025406483.db2.gz WNUBNIWIGHYUPE-PKOBYXMFSA-N 1 0 302.462 3.724 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000825949543 1033276615 /nfs/dbraw/zinc/27/66/15/1033276615.db2.gz WSVPFVLDYMQIAW-SJORKVTESA-N 1 0 321.848 3.888 20 10 DHCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000092764830 1025461521 /nfs/dbraw/zinc/46/15/21/1025461521.db2.gz ROIALDUJZGVBPR-CQSZACIVSA-N 1 0 319.489 3.801 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(C)cc1O ZINC000279932849 1025511369 /nfs/dbraw/zinc/51/13/69/1025511369.db2.gz ATDAEOZBTIOPHZ-WMLDXEAASA-N 1 0 305.443 3.711 20 10 DHCDRO CCCN(Cc1c(C)nn(C(C)C)c1C)c1ccc(C[NH3+])cc1 ZINC000894048135 1025671765 /nfs/dbraw/zinc/67/17/65/1025671765.db2.gz XZONVHPHXIMQLA-UHFFFAOYSA-N 1 0 314.477 3.956 20 10 DHCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)s1 ZINC000179132769 1025790848 /nfs/dbraw/zinc/79/08/48/1025790848.db2.gz RXWKBBKLLLJRPY-CYBMUJFWSA-N 1 0 301.459 3.903 20 10 DHCDRO CN1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000729682409 1025926419 /nfs/dbraw/zinc/92/64/19/1025926419.db2.gz QEUMEHCRGPQWAY-MRXNPFEDSA-N 1 0 318.505 3.781 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccccc1O ZINC000248571098 1025973660 /nfs/dbraw/zinc/97/36/60/1025973660.db2.gz RAABYQALALEZOA-BEZKYQLSSA-N 1 0 309.475 3.513 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512619 1026052598 /nfs/dbraw/zinc/05/25/98/1026052598.db2.gz BLNROIXGMIAGSW-AWEZNQCLSA-N 1 0 313.401 3.902 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000289607629 1026098722 /nfs/dbraw/zinc/09/87/22/1026098722.db2.gz VNVHLVCWOPDCBN-UHFFFAOYSA-N 1 0 318.367 3.560 20 10 DHCDRO C[N@H+](CCc1nccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000093843759 1026131236 /nfs/dbraw/zinc/13/12/36/1026131236.db2.gz KKSZCMUJQJFXIC-UHFFFAOYSA-N 1 0 315.486 3.808 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289860118 1026203986 /nfs/dbraw/zinc/20/39/86/1026203986.db2.gz QXQWQNJWUQWFNK-PXAZEXFGSA-N 1 0 303.427 3.592 20 10 DHCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808444615 1026287631 /nfs/dbraw/zinc/28/76/31/1026287631.db2.gz PDNSPWNRRDHYLP-XIKOKIGWSA-N 1 0 300.377 3.504 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000894193533 1026339193 /nfs/dbraw/zinc/33/91/93/1026339193.db2.gz RORLBRDRQJGKMR-WFASDCNBSA-N 1 0 301.386 3.715 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808672496 1026353296 /nfs/dbraw/zinc/35/32/96/1026353296.db2.gz PJKRJSQHQFPWER-AWEZNQCLSA-N 1 0 321.852 3.908 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000808675754 1026353776 /nfs/dbraw/zinc/35/37/76/1026353776.db2.gz RDVGSYNQEAWBBP-ZIAGYGMSSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1O ZINC000808679155 1026356762 /nfs/dbraw/zinc/35/67/62/1026356762.db2.gz FKCMWKQUBQWZLB-LLVKDONJSA-N 1 0 319.788 3.934 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccncc2C)c1O ZINC000808708048 1026357032 /nfs/dbraw/zinc/35/70/32/1026357032.db2.gz FWGZHLBWYOLROE-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000808728144 1026370776 /nfs/dbraw/zinc/37/07/76/1026370776.db2.gz CQKUONFIWOILON-GOEBONIOSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000808697196 1026374396 /nfs/dbraw/zinc/37/43/96/1026374396.db2.gz YWCCDVVSNKMISI-FZKQIMNGSA-N 1 0 319.832 3.912 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2NCCC3)cc1F ZINC000894208890 1026404620 /nfs/dbraw/zinc/40/46/20/1026404620.db2.gz MQIAMLQWFDIROX-UHFFFAOYSA-N 1 0 313.420 3.540 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(C)cc1O ZINC000280032524 1026575356 /nfs/dbraw/zinc/57/53/56/1026575356.db2.gz IEZDRTQSXLEAJQ-OAHLLOKOSA-N 1 0 301.386 3.656 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C)cc1O ZINC000280099236 1026592822 /nfs/dbraw/zinc/59/28/22/1026592822.db2.gz MYTMSLWYHQGEJK-IEBWSBKVSA-N 1 0 313.441 3.908 20 10 DHCDRO CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000809734578 1026597899 /nfs/dbraw/zinc/59/78/99/1026597899.db2.gz KCFMHNHTYFPKIQ-UHFFFAOYSA-N 1 0 304.821 3.895 20 10 DHCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000809703299 1026599211 /nfs/dbraw/zinc/59/92/11/1026599211.db2.gz HSANNGNWJYMCIJ-PXNSSMCTSA-N 1 0 315.505 3.591 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280158802 1026603274 /nfs/dbraw/zinc/60/32/74/1026603274.db2.gz QOISSLRXCWXIIA-KRWDZBQOSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000809768162 1026605682 /nfs/dbraw/zinc/60/56/82/1026605682.db2.gz DEXSBTMYPBWXGU-KRWDZBQOSA-N 1 0 321.424 3.715 20 10 DHCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(Br)ccc1O ZINC000809766995 1026606003 /nfs/dbraw/zinc/60/60/03/1026606003.db2.gz DBYHJCUAJQHGPV-LBPRGKRZSA-N 1 0 318.280 3.728 20 10 DHCDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000809767272 1026606603 /nfs/dbraw/zinc/60/66/03/1026606603.db2.gz IFOMWPOCJHNJKA-LJQANCHMSA-N 1 0 304.478 3.516 20 10 DHCDRO CCOC1CC([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809773571 1026607932 /nfs/dbraw/zinc/60/79/32/1026607932.db2.gz GCKMXWBPRKUXED-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccn2CCC(C)C)c1O ZINC000809739684 1026611499 /nfs/dbraw/zinc/61/14/99/1026611499.db2.gz BNSIKGANONFJNS-UHFFFAOYSA-N 1 0 302.418 3.538 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000809748949 1026614867 /nfs/dbraw/zinc/61/48/67/1026614867.db2.gz HJFKZZFJSFIDAF-UHFFFAOYSA-N 1 0 313.445 3.590 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)c(C)c1OC ZINC000809780324 1026622316 /nfs/dbraw/zinc/62/23/16/1026622316.db2.gz UQLCJFFJBLIBII-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(C)cc1O ZINC000280249575 1026623550 /nfs/dbraw/zinc/62/35/50/1026623550.db2.gz WNNKDOVTWFRQNV-ONIAQPFYSA-N 1 0 301.430 3.699 20 10 DHCDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(OC)c1O ZINC000809783453 1026623559 /nfs/dbraw/zinc/62/35/59/1026623559.db2.gz DCSQZGOGIPGERX-QGZVFWFLSA-N 1 0 315.413 3.993 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000809786845 1026625796 /nfs/dbraw/zinc/62/57/96/1026625796.db2.gz MPGQRFSGOKLBPQ-SJKOYZFVSA-N 1 0 305.805 3.566 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788390 1026627524 /nfs/dbraw/zinc/62/75/24/1026627524.db2.gz RNXPUTYVLZVKBL-BDJLRTHQSA-N 1 0 303.789 3.966 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1O ZINC000894239626 1026628344 /nfs/dbraw/zinc/62/83/44/1026628344.db2.gz KVLMKAOTXFVFLP-INIZCTEOSA-N 1 0 301.361 3.625 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810226388 1026714258 /nfs/dbraw/zinc/71/42/58/1026714258.db2.gz FEODHXXCYZHEIZ-ZYHUDNBSSA-N 1 0 305.365 3.957 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810229417 1026715766 /nfs/dbraw/zinc/71/57/66/1026715766.db2.gz XKEGXDYLKZLXDV-ZANVPECISA-N 1 0 313.323 3.936 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810207667 1026716453 /nfs/dbraw/zinc/71/64/53/1026716453.db2.gz MTQURUBHPCJUAQ-ZDUSSCGKSA-N 1 0 318.383 3.792 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000810259242 1026719367 /nfs/dbraw/zinc/71/93/67/1026719367.db2.gz FPXXLJDXOMUBHT-OXQOHEQNSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@H]([NH2+]CC1(CO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810236786 1026724932 /nfs/dbraw/zinc/72/49/32/1026724932.db2.gz NIHNBIVGYWQBPE-ZDUSSCGKSA-N 1 0 317.351 3.614 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238208 1026725050 /nfs/dbraw/zinc/72/50/50/1026725050.db2.gz OFDBFBRTSDNVLF-SWHYSGLUSA-N 1 0 317.351 3.877 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000811510693 1027026004 /nfs/dbraw/zinc/02/60/04/1027026004.db2.gz MZJJXZZXTYKHIM-RTBURBONSA-N 1 0 311.425 3.935 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512213 1027027597 /nfs/dbraw/zinc/02/75/97/1027027597.db2.gz HODSXRHJVTZZQM-LJQANCHMSA-N 1 0 313.372 3.501 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@H]1[C@H]1CCCO1 ZINC000811777970 1027082085 /nfs/dbraw/zinc/08/20/85/1027082085.db2.gz WHHGIZISJKUMSN-MOPGFXCFSA-N 1 0 315.457 3.660 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)c1O ZINC000894269684 1027246741 /nfs/dbraw/zinc/24/67/41/1027246741.db2.gz SVAUULSGQSBOBD-QGZVFWFLSA-N 1 0 314.429 3.900 20 10 DHCDRO CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(C)cc1O ZINC000812738087 1027381474 /nfs/dbraw/zinc/38/14/74/1027381474.db2.gz WOTYLYXBPJQDRX-INIZCTEOSA-N 1 0 313.445 3.554 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1O ZINC000812733919 1027382810 /nfs/dbraw/zinc/38/28/10/1027382810.db2.gz CAWMMWHASXEWLZ-LLVKDONJSA-N 1 0 315.804 3.783 20 10 DHCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)OC ZINC000812808497 1027431969 /nfs/dbraw/zinc/43/19/69/1027431969.db2.gz FSMOEIPSOWMNAO-LBPRGKRZSA-N 1 0 318.383 3.628 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000812842338 1027439870 /nfs/dbraw/zinc/43/98/70/1027439870.db2.gz ICDXCXAOVQONPN-MRXNPFEDSA-N 1 0 302.462 3.832 20 10 DHCDRO CC(C)c1nc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000296241571 1027586309 /nfs/dbraw/zinc/58/63/09/1027586309.db2.gz ARLXRHNDHZRTEB-CQSZACIVSA-N 1 0 302.443 3.792 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C/c2ccc(F)cc2)c1 ZINC000813330643 1027607954 /nfs/dbraw/zinc/60/79/54/1027607954.db2.gz BOEACULDZBCYTE-ITDFMYJTSA-N 1 0 301.361 3.904 20 10 DHCDRO CC[C@H]([NH2+]CCc1scnc1C)c1ccc(N(C)C)cc1 ZINC000296655947 1027697441 /nfs/dbraw/zinc/69/74/41/1027697441.db2.gz ZIAHOKBGBARWJV-INIZCTEOSA-N 1 0 303.475 3.801 20 10 DHCDRO C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000778984773 1027712158 /nfs/dbraw/zinc/71/21/58/1027712158.db2.gz KIECYALTLWMBOT-IEBWSBKVSA-N 1 0 316.489 3.924 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000813791694 1027714501 /nfs/dbraw/zinc/71/45/01/1027714501.db2.gz HVRMPYNHAHAQRH-AWEZNQCLSA-N 1 0 320.795 3.553 20 10 DHCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000813792154 1027715164 /nfs/dbraw/zinc/71/51/64/1027715164.db2.gz RFEVIXRBLXMJJD-UHFFFAOYSA-N 1 0 320.776 3.979 20 10 DHCDRO CN(Cc1cc(F)ccc1O)Cc1ccccc1Br ZINC000778991634 1027728880 /nfs/dbraw/zinc/72/88/80/1027728880.db2.gz BLYXLIRVGROXME-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(F)ccc1O ZINC000778995989 1027748063 /nfs/dbraw/zinc/74/80/63/1027748063.db2.gz IAHNDSPNAIEVDW-UHFFFAOYSA-N 1 0 318.348 3.850 20 10 DHCDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000813883967 1027749549 /nfs/dbraw/zinc/74/95/49/1027749549.db2.gz YTZZDYXMKQYXHN-JTQLQIEISA-N 1 0 310.191 3.907 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000813884426 1027751163 /nfs/dbraw/zinc/75/11/63/1027751163.db2.gz WABDMCMHSQBDFZ-GJZGRUSLSA-N 1 0 314.404 3.769 20 10 DHCDRO COc1ccc(N(CCC[NH+]2CCCCC2)C(C)C)cc1F ZINC001168095894 1027790450 /nfs/dbraw/zinc/79/04/50/1027790450.db2.gz DPWCTXKIYHHVLF-UHFFFAOYSA-N 1 0 308.441 3.925 20 10 DHCDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000779024929 1027906347 /nfs/dbraw/zinc/90/63/47/1027906347.db2.gz DZAPVPPETADSQZ-DJIMGWMZSA-N 1 0 307.409 3.557 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1 ZINC000814178366 1027915495 /nfs/dbraw/zinc/91/54/95/1027915495.db2.gz NEZYPQPBWBRFBB-OAHLLOKOSA-N 1 0 314.404 3.550 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1c1ccncc1 ZINC000814227897 1027963261 /nfs/dbraw/zinc/96/32/61/1027963261.db2.gz OSRCMVMKJUDOIJ-IBGZPJMESA-N 1 0 319.408 3.919 20 10 DHCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)cc1C ZINC000814229883 1027965125 /nfs/dbraw/zinc/96/51/25/1027965125.db2.gz GJZREZLEYRAKHX-GOSISDBHSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(F)ccc1O ZINC000527954161 1027985920 /nfs/dbraw/zinc/98/59/20/1027985920.db2.gz YTXMMVUKYLYADC-CZUORRHYSA-N 1 0 306.425 3.589 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036860 1028050888 /nfs/dbraw/zinc/05/08/88/1028050888.db2.gz ZABAFHZNRGNMDE-NRUUGDAUSA-N 1 0 304.340 3.965 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036861 1028052959 /nfs/dbraw/zinc/05/29/59/1028052959.db2.gz ZABAFHZNRGNMDE-OUJBWJOFSA-N 1 0 304.340 3.965 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C2CC2)cn1 ZINC000528044189 1028072469 /nfs/dbraw/zinc/07/24/69/1028072469.db2.gz RYRNYXVOINNNSQ-DJJJIMSYSA-N 1 0 312.413 3.906 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1ccc(C)cc1O ZINC000366452984 1028080835 /nfs/dbraw/zinc/08/08/35/1028080835.db2.gz SESDQJHOQLTSHM-DOTOQJQBSA-N 1 0 313.445 3.824 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@H]1OCCc2sccc21 ZINC000366475035 1028085379 /nfs/dbraw/zinc/08/53/79/1028085379.db2.gz OYYCCEHOUNOSQG-QLJPJBMISA-N 1 0 323.845 3.899 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1[O-] ZINC000367491333 1028190481 /nfs/dbraw/zinc/19/04/81/1028190481.db2.gz SPUKUXVGBICYMC-XEZPLFJOSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810212125 1028193829 /nfs/dbraw/zinc/19/38/29/1028193829.db2.gz MFEJNFUSNVEXAJ-MFKMUULPSA-N 1 0 305.340 3.734 20 10 DHCDRO CC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1O ZINC000779083083 1028211377 /nfs/dbraw/zinc/21/13/77/1028211377.db2.gz URQGPPFTDWLHHH-INIZCTEOSA-N 1 0 310.397 3.604 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367684867 1028224174 /nfs/dbraw/zinc/22/41/74/1028224174.db2.gz IVSLRYUOTLLNQR-SJLPKXTDSA-N 1 0 301.361 3.541 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000367718091 1028231117 /nfs/dbraw/zinc/23/11/17/1028231117.db2.gz FFWVAHKBERLSIV-CQSZACIVSA-N 1 0 305.809 3.723 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1-c1ccncc1 ZINC000368013455 1028277974 /nfs/dbraw/zinc/27/79/74/1028277974.db2.gz AWNDEAARDYBXAL-UHFFFAOYSA-N 1 0 308.356 3.883 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1N(C)C ZINC000815016012 1028328187 /nfs/dbraw/zinc/32/81/87/1028328187.db2.gz VEPWSXFSEDKYHG-FQEVSTJZSA-N 1 0 310.441 3.635 20 10 DHCDRO Cc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815050962 1028331086 /nfs/dbraw/zinc/33/10/86/1028331086.db2.gz HMZGOZYTDIUXFJ-GOSISDBHSA-N 1 0 314.429 3.536 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000368368541 1028346079 /nfs/dbraw/zinc/34/60/79/1028346079.db2.gz CMLQFQQIAYSCCW-SCLBCKFNSA-N 1 0 316.470 3.606 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1ccc(N(C)C)c(C)c1)c1nccs1 ZINC000815071376 1028348862 /nfs/dbraw/zinc/34/88/62/1028348862.db2.gz JICPYKGIPZVAKB-QGZVFWFLSA-N 1 0 303.475 3.933 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1N(C)C ZINC000815080548 1028353084 /nfs/dbraw/zinc/35/30/84/1028353084.db2.gz SMMYKPVECAGUPX-PKOBYXMFSA-N 1 0 316.489 3.700 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000368483849 1028361718 /nfs/dbraw/zinc/36/17/18/1028361718.db2.gz VEJXRUOABFLJHG-WVQJBOLRSA-N 1 0 317.360 3.713 20 10 DHCDRO Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815118496 1028364485 /nfs/dbraw/zinc/36/44/85/1028364485.db2.gz WJGZWDXRRHULPL-AEFFLSMTSA-N 1 0 304.478 3.577 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(F)cc1[O-] ZINC000368586510 1028379629 /nfs/dbraw/zinc/37/96/29/1028379629.db2.gz YUKTZULHPCMAJE-YAXFVEMYSA-N 1 0 305.324 3.843 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000779154446 1028457156 /nfs/dbraw/zinc/45/71/56/1028457156.db2.gz SQIYBTPOSNMPKJ-AZUAARDMSA-N 1 0 316.489 3.660 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000187894295 1028483659 /nfs/dbraw/zinc/48/36/59/1028483659.db2.gz LLPFJFICFKUUOJ-OXQOHEQNSA-N 1 0 312.457 3.701 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000188857222 1028534297 /nfs/dbraw/zinc/53/42/97/1028534297.db2.gz YJQLRGZMQZPNPL-HKUYNNGSSA-N 1 0 304.478 3.564 20 10 DHCDRO CCc1nnc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000810260566 1028537228 /nfs/dbraw/zinc/53/72/28/1028537228.db2.gz MCIOPVBIRGKVOA-VIFPVBQESA-N 1 0 311.838 3.619 20 10 DHCDRO COc1ccccc1OCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815553446 1028540107 /nfs/dbraw/zinc/54/01/07/1028540107.db2.gz AMWDSBKWVLCQJT-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c(O)c1 ZINC000815559657 1028544154 /nfs/dbraw/zinc/54/41/54/1028544154.db2.gz MXXKTVBGQSWCIC-ZDUSSCGKSA-N 1 0 318.383 3.544 20 10 DHCDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815559634 1028544314 /nfs/dbraw/zinc/54/43/14/1028544314.db2.gz MIVDKGBYUWRBCL-CQSZACIVSA-N 1 0 312.413 3.818 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c(O)c1 ZINC000815564175 1028544889 /nfs/dbraw/zinc/54/48/89/1028544889.db2.gz ZZMUZBATUPUQBE-KRWDZBQOSA-N 1 0 312.457 3.792 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCOCC1 ZINC000815562033 1028544979 /nfs/dbraw/zinc/54/49/79/1028544979.db2.gz VUYFCVRAJHXALE-IBGZPJMESA-N 1 0 311.425 3.835 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000369928995 1028548096 /nfs/dbraw/zinc/54/80/96/1028548096.db2.gz GFCAPGQSFIOAQB-WBVHZDCISA-N 1 0 303.427 3.978 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815578919 1028551803 /nfs/dbraw/zinc/55/18/03/1028551803.db2.gz ABFVUTAZPPZOPM-IEBWSBKVSA-N 1 0 313.441 3.817 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074536 1028556769 /nfs/dbraw/zinc/55/67/69/1028556769.db2.gz ICEIXEBBTXTERY-MRXNPFEDSA-N 1 0 320.477 3.638 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1 ZINC000815617967 1028572853 /nfs/dbraw/zinc/57/28/53/1028572853.db2.gz ZRXZCHNOAHAODT-OAHLLOKOSA-N 1 0 323.440 3.789 20 10 DHCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000815651221 1028593855 /nfs/dbraw/zinc/59/38/55/1028593855.db2.gz NYCBEGVDUSVLAN-HNAYVOBHSA-N 1 0 302.462 3.753 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)c2ccccc21 ZINC000370372980 1028596149 /nfs/dbraw/zinc/59/61/49/1028596149.db2.gz GVFWJDOZOJKXSX-RDTXWAMCSA-N 1 0 324.424 3.849 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000371464095 1028715153 /nfs/dbraw/zinc/71/51/53/1028715153.db2.gz ONXFJAJXBJBIJN-MRXNPFEDSA-N 1 0 307.397 3.579 20 10 DHCDRO CCC[N@H+](CCCOCC(F)(F)F)Cc1ccccc1O ZINC000077275814 1028820190 /nfs/dbraw/zinc/82/01/90/1028820190.db2.gz YSAXMCPPQCDZBM-UHFFFAOYSA-N 1 0 305.340 3.573 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372212242 1028823780 /nfs/dbraw/zinc/82/37/80/1028823780.db2.gz OUGADOAINIRSRB-KRWDZBQOSA-N 1 0 311.425 3.794 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccsc3)C[C@@H]2C)c1O ZINC000372405582 1028849518 /nfs/dbraw/zinc/84/95/18/1028849518.db2.gz WMYDBIAFEUPKJA-SWLSCSKDSA-N 1 0 303.427 3.840 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)Cc1ccsc1 ZINC000190259801 1028866341 /nfs/dbraw/zinc/86/63/41/1028866341.db2.gz JGAUFAWAUQQTKY-ZDUSSCGKSA-N 1 0 305.443 3.915 20 10 DHCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)Cc1ccsc1 ZINC000190259736 1028866520 /nfs/dbraw/zinc/86/65/20/1028866520.db2.gz OZUBNTWTLIQPSJ-GFCCVEGCSA-N 1 0 319.426 3.636 20 10 DHCDRO Oc1ccc2c(c1)C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816492646 1028897860 /nfs/dbraw/zinc/89/78/60/1028897860.db2.gz XPTZKWKTSIWDHK-UHFFFAOYSA-N 1 0 305.377 3.809 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514827 1028917310 /nfs/dbraw/zinc/91/73/10/1028917310.db2.gz IJZLKFDDTHMUED-FQEVSTJZSA-N 1 0 311.425 3.938 20 10 DHCDRO Oc1c(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc2ccccc21 ZINC000816518598 1028917587 /nfs/dbraw/zinc/91/75/87/1028917587.db2.gz HLXIAKQETICBQJ-GOSISDBHSA-N 1 0 309.365 3.712 20 10 DHCDRO Oc1c(C[NH2+]Cc2cccc3c2OCO3)ccc2ccccc21 ZINC000816537876 1028926365 /nfs/dbraw/zinc/92/63/65/1028926365.db2.gz WSCCOAGCIOJLAX-UHFFFAOYSA-N 1 0 307.349 3.564 20 10 DHCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549476 1028928499 /nfs/dbraw/zinc/92/84/99/1028928499.db2.gz OZZYGQQMOAVLOY-LJQANCHMSA-N 1 0 307.393 3.677 20 10 DHCDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816551032 1028931997 /nfs/dbraw/zinc/93/19/97/1028931997.db2.gz MDZGLFPWAIILJP-HXUWFJFHSA-N 1 0 307.393 3.543 20 10 DHCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)[C@@H]1[C@H]1CCCO1 ZINC000816614083 1028963650 /nfs/dbraw/zinc/96/36/50/1028963650.db2.gz MIFPCLDBJVDPMG-IEBWSBKVSA-N 1 0 311.425 3.935 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000816662657 1028985378 /nfs/dbraw/zinc/98/53/78/1028985378.db2.gz UUSQKHQOERTBLV-HXUWFJFHSA-N 1 0 318.505 3.763 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1C ZINC000778640194 1029057911 /nfs/dbraw/zinc/05/79/11/1029057911.db2.gz UULJGSRVDVDSBK-UHFFFAOYSA-N 1 0 314.429 3.866 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817281612 1029113893 /nfs/dbraw/zinc/11/38/93/1029113893.db2.gz NATSXJIYHKQSFM-CQSZACIVSA-N 1 0 300.368 3.917 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000817409516 1029150392 /nfs/dbraw/zinc/15/03/92/1029150392.db2.gz DCXCXOCDMSSTPH-CHWSQXEVSA-N 1 0 307.459 3.585 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000817585209 1029215455 /nfs/dbraw/zinc/21/54/55/1029215455.db2.gz CQGZBSXPHXWICI-KBRIMQKVSA-N 1 0 303.446 3.879 20 10 DHCDRO [NH3+][C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000817900459 1029270718 /nfs/dbraw/zinc/27/07/18/1029270718.db2.gz SRSWYMAMQIVEBU-UXHICEINSA-N 1 0 307.441 3.521 20 10 DHCDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1C ZINC000817941101 1029282380 /nfs/dbraw/zinc/28/23/80/1029282380.db2.gz IUXTZEBIDQFUDN-OXQOHEQNSA-N 1 0 311.473 3.720 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000817942203 1029286533 /nfs/dbraw/zinc/28/65/33/1029286533.db2.gz MVNCWRUIXJZQKS-SFHLNBCPSA-N 1 0 323.484 3.678 20 10 DHCDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817946115 1029288627 /nfs/dbraw/zinc/28/86/27/1029288627.db2.gz RVBLWBJIKUAZHW-NVXWUHKLSA-N 1 0 319.468 3.609 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(-c2ccccc2)nn1C ZINC000817957970 1029296578 /nfs/dbraw/zinc/29/65/78/1029296578.db2.gz RRNUXUOMXDMCJB-HNNXBMFYSA-N 1 0 320.440 3.563 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000817955147 1029298059 /nfs/dbraw/zinc/29/80/59/1029298059.db2.gz REAOZFJYMDSBKX-BLLLJJGKSA-N 1 0 304.821 3.705 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972314 1029311197 /nfs/dbraw/zinc/31/11/97/1029311197.db2.gz WBAAPGBMVPMASJ-ICCXJUOJSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000817976446 1029313194 /nfs/dbraw/zinc/31/31/94/1029313194.db2.gz YKGAMXJIDHCKCS-XEZPLFJOSA-N 1 0 310.869 3.851 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(C)cc1O ZINC000817975500 1029314056 /nfs/dbraw/zinc/31/40/56/1029314056.db2.gz VRHCBOQMYZGXDU-RTBURBONSA-N 1 0 310.441 3.628 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(F)ccc1O ZINC000817976209 1029314478 /nfs/dbraw/zinc/31/44/78/1029314478.db2.gz VWYLRWPACGGPHR-LBPRGKRZSA-N 1 0 300.377 3.740 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817979393 1029317552 /nfs/dbraw/zinc/31/75/52/1029317552.db2.gz AQUGCAUMPXWXAI-GHMZBOCLSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817977293 1029318386 /nfs/dbraw/zinc/31/83/86/1029318386.db2.gz GSSJNLUEVFUVKY-ZANVPECISA-N 1 0 305.249 3.867 20 10 DHCDRO CC[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817984628 1029320080 /nfs/dbraw/zinc/32/00/80/1029320080.db2.gz WBQQNQVHXAAOEV-GXTWGEPZSA-N 1 0 316.367 3.594 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984373 1029320477 /nfs/dbraw/zinc/32/04/77/1029320477.db2.gz RKAVFDSGEQMVLF-MFKMUULPSA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817984174 1029322356 /nfs/dbraw/zinc/32/23/56/1029322356.db2.gz VTAJWTLDBQJIQM-PXAZEXFGSA-N 1 0 320.383 3.801 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000818220549 1029355211 /nfs/dbraw/zinc/35/52/11/1029355211.db2.gz HQVKHPMACNXWDP-JXFKEZNVSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000818341754 1029372827 /nfs/dbraw/zinc/37/28/27/1029372827.db2.gz FWRDQOHNCFMFMU-XPGWFJOJSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H]3C(C)C)C2)cc1 ZINC000818342295 1029373723 /nfs/dbraw/zinc/37/37/23/1029373723.db2.gz ONUNDNDMCLOUNE-MNEFBYGVSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC3(C)C)C2)cc1 ZINC000818345260 1029374967 /nfs/dbraw/zinc/37/49/67/1029374967.db2.gz SOHZNFWTVJCUNE-QAPCUYQASA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000818342074 1029374982 /nfs/dbraw/zinc/37/49/82/1029374982.db2.gz LGHOFKKMBQLFBY-QFBILLFUSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccsc3)C2)cc1 ZINC000818344187 1029375065 /nfs/dbraw/zinc/37/50/65/1029375065.db2.gz KMGCXOWQWKTQTM-GJZGRUSLSA-N 1 0 316.470 3.934 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1C[C@H]1C ZINC000818341527 1029375520 /nfs/dbraw/zinc/37/55/20/1029375520.db2.gz ABYHKAKAWSOYQZ-PDWMJMLSSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)C2)cc1 ZINC000818341872 1029375659 /nfs/dbraw/zinc/37/56/59/1029375659.db2.gz HWWOLOGEKPWXSE-SMOSDQRPSA-N 1 0 314.473 3.690 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953286 1029445430 /nfs/dbraw/zinc/44/54/30/1029445430.db2.gz FPWCOEZACOWJGV-UTKZUKDTSA-N 1 0 324.468 3.541 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc(N(C)C)cc1 ZINC000865531050 1029902845 /nfs/dbraw/zinc/90/28/45/1029902845.db2.gz FLKWUCQAAJHAJQ-OAHLLOKOSA-N 1 0 312.461 3.600 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865725848 1029991372 /nfs/dbraw/zinc/99/13/72/1029991372.db2.gz DVFDJJZFCINOND-MRXNPFEDSA-N 1 0 309.837 3.875 20 10 DHCDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000290425046 1030043082 /nfs/dbraw/zinc/04/30/82/1030043082.db2.gz KYJWGJIBZPORHI-QGZVFWFLSA-N 1 0 313.397 3.565 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822530361 1030043593 /nfs/dbraw/zinc/04/35/93/1030043593.db2.gz YTEHIIIIRNDXTG-IBGZPJMESA-N 1 0 314.473 3.534 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000290443901 1030052586 /nfs/dbraw/zinc/05/25/86/1030052586.db2.gz LYVXWKXFTZNEQW-KRWDZBQOSA-N 1 0 316.424 3.569 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cc3cnccc3o2)c1 ZINC000865855349 1030061915 /nfs/dbraw/zinc/06/19/15/1030061915.db2.gz YTFAORXMFSVYJH-GFCCVEGCSA-N 1 0 312.369 3.783 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806149942 1030110321 /nfs/dbraw/zinc/11/03/21/1030110321.db2.gz IRDXYTXQUQWFKG-GDBMZVCRSA-N 1 0 311.853 3.883 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000822818769 1030136275 /nfs/dbraw/zinc/13/62/75/1030136275.db2.gz UPABWSYWKYLJHH-ZJUUUORDSA-N 1 0 304.217 3.635 20 10 DHCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924646514 1030149302 /nfs/dbraw/zinc/14/93/02/1030149302.db2.gz BVMKNVUEIMSKDI-AZUAARDMSA-N 1 0 316.489 3.708 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccnn1C1CCC1 ZINC000925102571 1030272210 /nfs/dbraw/zinc/27/22/10/1030272210.db2.gz MGEIOVBVGIQDPC-LBPRGKRZSA-N 1 0 322.503 3.898 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866449093 1030299240 /nfs/dbraw/zinc/29/92/40/1030299240.db2.gz RAUOZLUWJHQQNG-UKPHBRMFSA-N 1 0 324.415 3.594 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c(O)c1C ZINC000866512912 1030337859 /nfs/dbraw/zinc/33/78/59/1030337859.db2.gz PTRFRRMYMKTYGX-ZVZYQTTQSA-N 1 0 303.446 3.865 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCSCCC(F)(F)F)c1O ZINC000866543329 1030365055 /nfs/dbraw/zinc/36/50/55/1030365055.db2.gz UVHUGRKKMLXFNG-JTQLQIEISA-N 1 0 323.380 3.737 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCSCCC(F)(F)F)CC2 ZINC000866543472 1030365760 /nfs/dbraw/zinc/36/57/60/1030365760.db2.gz WWSINXMRVPTNGR-LLVKDONJSA-N 1 0 305.365 3.655 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000823729446 1030383227 /nfs/dbraw/zinc/38/32/27/1030383227.db2.gz GWTWKIKOBRGNNZ-WBVHZDCISA-N 1 0 302.462 3.753 20 10 DHCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823729644 1030384343 /nfs/dbraw/zinc/38/43/43/1030384343.db2.gz IFXAYQXXZPHAAB-HNNXBMFYSA-N 1 0 318.486 3.757 20 10 DHCDRO c1cc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc2c1OCC2 ZINC000823752014 1030388412 /nfs/dbraw/zinc/38/84/12/1030388412.db2.gz ASEKNEDHMGVXTB-UHFFFAOYSA-N 1 0 315.457 3.982 20 10 DHCDRO CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N(C)C)cc1 ZINC000777566189 1030412267 /nfs/dbraw/zinc/41/22/67/1030412267.db2.gz JVWXMKQOLFXVJO-LJQANCHMSA-N 1 0 321.428 3.897 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc2ccccc2c1O ZINC000866632830 1030413450 /nfs/dbraw/zinc/41/34/50/1030413450.db2.gz CFIWNQKUDNLJGE-CXAGYDPISA-N 1 0 307.397 3.928 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)c(O)c1 ZINC000824320801 1030524318 /nfs/dbraw/zinc/52/43/18/1030524318.db2.gz KKXCLOBFQLVCFD-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CC(C)C)CN2CCCC2)c1 ZINC000824559239 1030582206 /nfs/dbraw/zinc/58/22/06/1030582206.db2.gz LXJANGQFJDVLJF-HOTGVXAUSA-N 1 0 320.477 3.562 20 10 DHCDRO COC[C@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000824576523 1030585637 /nfs/dbraw/zinc/58/56/37/1030585637.db2.gz MZJFGFKAWBHNOV-HXUWFJFHSA-N 1 0 311.425 3.918 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000824751381 1030638954 /nfs/dbraw/zinc/63/89/54/1030638954.db2.gz UXDJILSAQOCQFV-OAHLLOKOSA-N 1 0 311.425 3.984 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1F ZINC000824815722 1030645160 /nfs/dbraw/zinc/64/51/60/1030645160.db2.gz XQWZCFBMHZOEKS-KBXCAEBGSA-N 1 0 308.441 3.529 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000824824277 1030657418 /nfs/dbraw/zinc/65/74/18/1030657418.db2.gz IXSHJAYXZBPTRN-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)[C@H](C)O ZINC000824921080 1030674258 /nfs/dbraw/zinc/67/42/58/1030674258.db2.gz DXKJHEONZGBIMQ-BIMULSAOSA-N 1 0 305.340 3.611 20 10 DHCDRO c1csc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000825086480 1030721927 /nfs/dbraw/zinc/72/19/27/1030721927.db2.gz SULCOPLCPGEMEB-NVXWUHKLSA-N 1 0 315.438 3.693 20 10 DHCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)c1 ZINC000825090598 1030723734 /nfs/dbraw/zinc/72/37/34/1030723734.db2.gz CBCFZLJQEFTEOI-IYARVYRRSA-N 1 0 310.441 3.797 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3(C)CCCC3)CC2)cc1 ZINC000781497639 1030738691 /nfs/dbraw/zinc/73/86/91/1030738691.db2.gz JLFLTXJWNUJSHU-UHFFFAOYSA-N 1 0 302.462 3.834 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000825185203 1030743486 /nfs/dbraw/zinc/74/34/86/1030743486.db2.gz KNDADMHBVUWJDO-UHFFFAOYSA-N 1 0 303.789 3.579 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278633 1030763642 /nfs/dbraw/zinc/76/36/42/1030763642.db2.gz MYGXIQRTNNMWAX-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2cccs2)cc1Cl ZINC000825291697 1030766705 /nfs/dbraw/zinc/76/67/05/1030766705.db2.gz OPEQFSVOWSHGOV-ZDUSSCGKSA-N 1 0 311.834 3.629 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(F)c1 ZINC000825337025 1030781888 /nfs/dbraw/zinc/78/18/88/1030781888.db2.gz GRKGYUZOSICTIA-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1Cl ZINC000825404970 1030803960 /nfs/dbraw/zinc/80/39/60/1030803960.db2.gz ADIAUIWUXBIKGD-CYBMUJFWSA-N 1 0 311.853 3.632 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1Cl ZINC000825418273 1030807164 /nfs/dbraw/zinc/80/71/64/1030807164.db2.gz VMTRJSMLYJZQKO-AWEZNQCLSA-N 1 0 324.877 3.808 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CC2 ZINC000122923481 1030921256 /nfs/dbraw/zinc/92/12/56/1030921256.db2.gz DOFGUTABXRKVOO-FQEVSTJZSA-N 1 0 322.452 3.855 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926906731 1030981179 /nfs/dbraw/zinc/98/11/79/1030981179.db2.gz YTRAPBCUSSERNX-YWPYICTPSA-N 1 0 317.351 3.851 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000926921594 1030997020 /nfs/dbraw/zinc/99/70/20/1030997020.db2.gz VYDLRIYZBAZOJG-QWHCGFSZSA-N 1 0 313.397 3.575 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000926934598 1031006252 /nfs/dbraw/zinc/00/62/52/1031006252.db2.gz HFICZTXAFODVHI-XPCVCDNBSA-N 1 0 307.821 3.596 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000926965469 1031017992 /nfs/dbraw/zinc/01/79/92/1031017992.db2.gz WDCQFGHOYWAEST-RNCFNFMXSA-N 1 0 324.774 3.579 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000927066793 1031064773 /nfs/dbraw/zinc/06/47/73/1031064773.db2.gz DOIOOFUFJOUDNF-CDNVCLAFSA-N 1 0 317.408 3.800 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927072679 1031074714 /nfs/dbraw/zinc/07/47/14/1031074714.db2.gz YOFUZKJMRSYKDZ-KXBFYZLASA-N 1 0 314.477 3.924 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(Cl)cc1O ZINC000927140955 1031114567 /nfs/dbraw/zinc/11/45/67/1031114567.db2.gz UBEPFTRPUQUNEL-LSKLOWJMSA-N 1 0 317.816 3.745 20 10 DHCDRO C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccccc1O ZINC000870988501 1031117083 /nfs/dbraw/zinc/11/70/83/1031117083.db2.gz QVELXNIUGCNYAO-HOCLYGCPSA-N 1 0 318.461 3.647 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CSC)C2)c1O ZINC000292882711 1031234208 /nfs/dbraw/zinc/23/42/08/1031234208.db2.gz XYGJNILOLCBGQV-LLVKDONJSA-N 1 0 315.866 3.629 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1C ZINC000844721596 1031303179 /nfs/dbraw/zinc/30/31/79/1031303179.db2.gz ZZKKEOSWXVDAIB-UHFFFAOYSA-N 1 0 317.326 3.875 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2c1 ZINC000844759859 1031317230 /nfs/dbraw/zinc/31/72/30/1031317230.db2.gz MTNSOTGGFKTYLF-KRWDZBQOSA-N 1 0 319.351 3.785 20 10 DHCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144308091 1031459565 /nfs/dbraw/zinc/45/95/65/1031459565.db2.gz OKQVDBIXXKDGBO-CYBMUJFWSA-N 1 0 316.214 3.914 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)c1O ZINC000872134051 1031528132 /nfs/dbraw/zinc/52/81/32/1031528132.db2.gz QUBKFYDKRMNBGB-JQWIXIFHSA-N 1 0 305.809 3.864 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000872133932 1031528470 /nfs/dbraw/zinc/52/84/70/1031528470.db2.gz UABYBURQDJKRAB-PZPSRYQVSA-N 1 0 303.377 3.694 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1cc(Cl)ccc1O ZINC000872135449 1031530296 /nfs/dbraw/zinc/53/02/96/1031530296.db2.gz WWCDDLHACFUFDL-FZMZJTMJSA-N 1 0 305.809 3.946 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293658041 1031558227 /nfs/dbraw/zinc/55/82/27/1031558227.db2.gz IIVOXWGEGXHEME-LBPRGKRZSA-N 1 0 314.429 3.981 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872261081 1031563449 /nfs/dbraw/zinc/56/34/49/1031563449.db2.gz ZIXJGRQXJORYGR-LJQANCHMSA-N 1 0 302.462 3.676 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261440 1031565150 /nfs/dbraw/zinc/56/51/50/1031565150.db2.gz FFNHYLFDOXCWOK-AWEZNQCLSA-N 1 0 309.837 3.969 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000293748306 1031599393 /nfs/dbraw/zinc/59/93/93/1031599393.db2.gz NZHZUOFTHMQDTN-HKUYNNGSSA-N 1 0 311.425 3.692 20 10 DHCDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293752883 1031603453 /nfs/dbraw/zinc/60/34/53/1031603453.db2.gz RNGMJDDMQZVZFV-ZDUSSCGKSA-N 1 0 316.474 3.688 20 10 DHCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)n1 ZINC000872807514 1031663590 /nfs/dbraw/zinc/66/35/90/1031663590.db2.gz SUQVPFAAISMELQ-OAHLLOKOSA-N 1 0 314.454 3.635 20 10 DHCDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872803882 1031663787 /nfs/dbraw/zinc/66/37/87/1031663787.db2.gz DTZPOGJFNBKTLE-HNNXBMFYSA-N 1 0 310.319 3.715 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC001144515618 1031674488 /nfs/dbraw/zinc/67/44/88/1031674488.db2.gz SRKISHHCSKINNK-OAHLLOKOSA-N 1 0 319.788 3.794 20 10 DHCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CCC(C(C)(C)C)CC1 ZINC001144515012 1031675610 /nfs/dbraw/zinc/67/56/10/1031675610.db2.gz BFYPZBIGBYWVRX-UHFFFAOYSA-N 1 0 307.434 3.840 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1ccnc1 ZINC000293899177 1031686324 /nfs/dbraw/zinc/68/63/24/1031686324.db2.gz WJGHPBWUXCMZAH-LJQANCHMSA-N 1 0 321.424 3.552 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873270127 1031781830 /nfs/dbraw/zinc/78/18/30/1031781830.db2.gz XPLWBHCGQZRXPY-NXEZZACHSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C(C)C)s2)c1 ZINC000845972586 1031788898 /nfs/dbraw/zinc/78/88/98/1031788898.db2.gz PBFUSKKDRUHTCU-NSHDSACASA-N 1 0 306.431 3.832 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(Cl)c(C)c2)c1 ZINC000845971898 1031789593 /nfs/dbraw/zinc/78/95/93/1031789593.db2.gz GOQYZPGGKLOTGA-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846009437 1031805883 /nfs/dbraw/zinc/80/58/83/1031805883.db2.gz ZSLJSFYREZNRLO-UHFFFAOYSA-N 1 0 323.436 3.796 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(Cl)c1 ZINC000846014921 1031808002 /nfs/dbraw/zinc/80/80/02/1031808002.db2.gz UTMQKXBTBHYPMA-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000846016419 1031809952 /nfs/dbraw/zinc/80/99/52/1031809952.db2.gz WMLGAUMLKQGDSO-UHFFFAOYSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1cccc(C[NH2+]CC2(c3ccccc3F)CCC2)c1O ZINC000845997192 1031818984 /nfs/dbraw/zinc/81/89/84/1031818984.db2.gz WTDHUDCWLPBADH-UHFFFAOYSA-N 1 0 315.388 3.751 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1F ZINC000846034162 1031827424 /nfs/dbraw/zinc/82/74/24/1031827424.db2.gz HRJFLAZKGQGXCV-HUUCEWRRSA-N 1 0 302.796 3.686 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1F ZINC000846034156 1031828609 /nfs/dbraw/zinc/82/86/09/1031828609.db2.gz HRJFLAZKGQGXCV-CABCVRRESA-N 1 0 302.796 3.686 20 10 DHCDRO FC1(F)C[C@@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000846117186 1031867317 /nfs/dbraw/zinc/86/73/17/1031867317.db2.gz OFHWZGOBUOEVQR-QGZVFWFLSA-N 1 0 306.400 3.908 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1c(C)nn(C)c1C ZINC000846149517 1031884064 /nfs/dbraw/zinc/88/40/64/1031884064.db2.gz ZSAODDHWJILGIR-XHDPSFHLSA-N 1 0 317.433 3.553 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000846158172 1031888957 /nfs/dbraw/zinc/88/89/57/1031888957.db2.gz ULUBALFOCLYZJT-XEZPLFJOSA-N 1 0 307.434 3.645 20 10 DHCDRO CCOCCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCC1 ZINC000846155145 1031889616 /nfs/dbraw/zinc/88/96/16/1031889616.db2.gz VDAUKMJRBLIQLO-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161900 1031890656 /nfs/dbraw/zinc/89/06/56/1031890656.db2.gz HEVXSSFSPXBHRY-DZGCQCFKSA-N 1 0 319.401 3.731 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1O ZINC000846167194 1031893618 /nfs/dbraw/zinc/89/36/18/1031893618.db2.gz IAULTJIHJAJDKQ-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCc2ccccc2F)c1O ZINC000846168761 1031894642 /nfs/dbraw/zinc/89/46/42/1031894642.db2.gz VGNCBOQENAHZKY-ZDUSSCGKSA-N 1 0 303.377 3.823 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)c1O ZINC000846167902 1031895478 /nfs/dbraw/zinc/89/54/78/1031895478.db2.gz NSDQHRHWJBXIRO-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1O ZINC000846135361 1031901376 /nfs/dbraw/zinc/90/13/76/1031901376.db2.gz CQYRJIVQRAHKFQ-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135272 1031901549 /nfs/dbraw/zinc/90/15/49/1031901549.db2.gz BNHOTCBXQIGZGY-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000846142757 1031902810 /nfs/dbraw/zinc/90/28/10/1031902810.db2.gz CHGHAKXRQMXECN-SMDDNHRTSA-N 1 0 301.411 3.898 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(F)cc2F)c1O ZINC000846143025 1031903054 /nfs/dbraw/zinc/90/30/54/1031903054.db2.gz CIYSXSMJKFCURK-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)c1O ZINC000846142586 1031903368 /nfs/dbraw/zinc/90/33/68/1031903368.db2.gz FNYZGFBHXGIPHS-GJZGRUSLSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)c1O ZINC000846141632 1031903741 /nfs/dbraw/zinc/90/37/41/1031903741.db2.gz LCOJABKXMMANMA-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)c1O ZINC000846143799 1031903876 /nfs/dbraw/zinc/90/38/76/1031903876.db2.gz HNBZOEIMEPQWPM-ZDUSSCGKSA-N 1 0 315.388 3.922 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cccc(OC)c2O)o1 ZINC000846143062 1031904313 /nfs/dbraw/zinc/90/43/13/1031904313.db2.gz AIJISMMVESDDLZ-IUODEOHRSA-N 1 0 319.401 3.595 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)c1O ZINC000846144527 1031906225 /nfs/dbraw/zinc/90/62/25/1031906225.db2.gz HKRZQEOHGWTSPC-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1O ZINC000846145127 1031907609 /nfs/dbraw/zinc/90/76/09/1031907609.db2.gz MXYNNDJHPOXRMM-WMLDXEAASA-N 1 0 315.413 3.565 20 10 DHCDRO COCc1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)ccc1F ZINC000846145101 1031907843 /nfs/dbraw/zinc/90/78/43/1031907843.db2.gz MVXNKRFPELROPW-GFCCVEGCSA-N 1 0 319.376 3.537 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846146492 1031910470 /nfs/dbraw/zinc/91/04/70/1031910470.db2.gz QYHXNAWWTPDXMQ-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1O ZINC000846189332 1031923326 /nfs/dbraw/zinc/92/33/26/1031923326.db2.gz SXLRXVSOJLRONA-APPDUMDISA-N 1 0 309.837 3.901 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1C ZINC000898071796 1031943161 /nfs/dbraw/zinc/94/31/61/1031943161.db2.gz SUIWDXUQZXCQMY-AWEZNQCLSA-N 1 0 302.443 3.530 20 10 DHCDRO Cc1ccc(CN[C@@H](C)c2nc(C3CCCCC3)no2)c(O)c1 ZINC000877470192 1033312008 /nfs/dbraw/zinc/31/20/08/1033312008.db2.gz FQXWGQKPIFZEFQ-ZDUSSCGKSA-N 1 0 315.417 3.982 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](OC(C)C)c2ccccc2)c(O)c1 ZINC000877493663 1033321574 /nfs/dbraw/zinc/32/15/74/1033321574.db2.gz ODFWJEXDGXQVJK-IBGZPJMESA-N 1 0 315.413 3.657 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1C ZINC001172716784 1033323165 /nfs/dbraw/zinc/32/31/65/1033323165.db2.gz OSTSCZTZSVQEHZ-KRWDZBQOSA-N 1 0 301.817 3.914 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000877570108 1033363766 /nfs/dbraw/zinc/36/37/66/1033363766.db2.gz CVRAMZJAGIUTTF-CYBMUJFWSA-N 1 0 307.315 3.895 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000877675847 1033407355 /nfs/dbraw/zinc/40/73/55/1033407355.db2.gz VVAFFTQYRFLCHY-UHFFFAOYSA-N 1 0 307.459 3.510 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877673997 1033407920 /nfs/dbraw/zinc/40/79/20/1033407920.db2.gz LBEMJJREPDWTSX-UHFFFAOYSA-N 1 0 302.443 3.612 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1Cl ZINC000877729585 1033423533 /nfs/dbraw/zinc/42/35/33/1033423533.db2.gz VYINVGKUAFOKSY-ZFWWWQNUSA-N 1 0 309.837 3.506 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC000877755549 1033431097 /nfs/dbraw/zinc/43/10/97/1033431097.db2.gz DWXIVGULGFLWCO-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)ncc1Br ZINC000877758150 1033434662 /nfs/dbraw/zinc/43/46/62/1033434662.db2.gz KVIBAEBUDLMKJE-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(Cl)c1OC ZINC000877757102 1033435156 /nfs/dbraw/zinc/43/51/56/1033435156.db2.gz GDPMVWIEHVNMET-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000877811978 1033460425 /nfs/dbraw/zinc/46/04/25/1033460425.db2.gz DKDODSROOZDBEA-CYBMUJFWSA-N 1 0 323.742 3.829 20 10 DHCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC001172951543 1033493555 /nfs/dbraw/zinc/49/35/55/1033493555.db2.gz SYRHZAQERMOIPQ-ZIAGYGMSSA-N 1 0 322.449 3.688 20 10 DHCDRO CCCOC1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001173101747 1033540336 /nfs/dbraw/zinc/54/03/36/1033540336.db2.gz SFVPPGOJGLRYLM-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153109717 1033563571 /nfs/dbraw/zinc/56/35/71/1033563571.db2.gz SPAWGSGWAGSYLA-GJZGRUSLSA-N 1 0 306.425 3.503 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000777220365 1033726411 /nfs/dbraw/zinc/72/64/11/1033726411.db2.gz HURQYBOCTBCVGC-UHFFFAOYSA-N 1 0 303.427 3.842 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CC(F)(F)C3)CC2)cc1 ZINC000862274060 1033805983 /nfs/dbraw/zinc/80/59/83/1033805983.db2.gz CSNAGASOQOSSCL-ZDUSSCGKSA-N 1 0 324.415 3.687 20 10 DHCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000862277005 1033807079 /nfs/dbraw/zinc/80/70/79/1033807079.db2.gz LEYRDXGYVIDAHX-UHFFFAOYSA-N 1 0 313.445 3.818 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)cc1F ZINC000862541895 1033881287 /nfs/dbraw/zinc/88/12/87/1033881287.db2.gz YTLDRXLUNGAXNM-OAHLLOKOSA-N 1 0 315.388 3.838 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cccn2CCC(C)C)c1 ZINC000119271197 1033994044 /nfs/dbraw/zinc/99/40/44/1033994044.db2.gz BJPCOUUYPRNKMD-UHFFFAOYSA-N 1 0 302.418 3.538 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879649738 1034070049 /nfs/dbraw/zinc/07/00/49/1034070049.db2.gz TYXZGDYAPVWLMJ-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879649349 1034070261 /nfs/dbraw/zinc/07/02/61/1034070261.db2.gz QTXJJACFGILQQK-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648704 1034070427 /nfs/dbraw/zinc/07/04/27/1034070427.db2.gz ACOUVWDFZWHWDL-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO CCc1ccc2c(C[NH2+][C@@H](C)c3ccccc3O)cc(=O)oc2c1 ZINC000879651046 1034073719 /nfs/dbraw/zinc/07/37/19/1034073719.db2.gz FTASYDGDBVYMTN-ZDUSSCGKSA-N 1 0 323.392 3.912 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC000879650684 1034075054 /nfs/dbraw/zinc/07/50/54/1034075054.db2.gz NEKYHPCKKMEEAH-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650850 1034075204 /nfs/dbraw/zinc/07/52/04/1034075204.db2.gz TVHVXHANVSKJFN-LBPRGKRZSA-N 1 0 313.376 3.752 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2COCc3ccccc32)cc1Cl ZINC000826131302 1034156465 /nfs/dbraw/zinc/15/64/65/1034156465.db2.gz RANIWNYCPHNMPI-INIZCTEOSA-N 1 0 303.789 3.715 20 10 DHCDRO COCCCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000842170702 1034240880 /nfs/dbraw/zinc/24/08/80/1034240880.db2.gz CGGABVMEMHPBMK-UHFFFAOYSA-N 1 0 304.478 3.844 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000179555177 1034313450 /nfs/dbraw/zinc/31/34/50/1034313450.db2.gz NHFDADMSUYKHHR-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000794663708 1034320203 /nfs/dbraw/zinc/32/02/03/1034320203.db2.gz VDFDRAFSPCZBRD-HZMBPMFUSA-N 1 0 310.319 3.713 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccccc1O ZINC000183396378 1034382529 /nfs/dbraw/zinc/38/25/29/1034382529.db2.gz GGRHMOVDMZHYTA-APWZRJJASA-N 1 0 310.441 3.880 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000777400957 1034424796 /nfs/dbraw/zinc/42/47/96/1034424796.db2.gz HRRICTKJWJVFTA-HXUWFJFHSA-N 1 0 308.425 3.505 20 10 DHCDRO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C)cc1O ZINC000794794219 1034474166 /nfs/dbraw/zinc/47/41/66/1034474166.db2.gz QNASYSCWAZNDDJ-HXUWFJFHSA-N 1 0 324.468 3.800 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1O ZINC000794805096 1034480151 /nfs/dbraw/zinc/48/01/51/1034480151.db2.gz OZCUMSXLEZSWBH-OAHLLOKOSA-N 1 0 317.433 3.881 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(C)cc1O ZINC000794806274 1034502643 /nfs/dbraw/zinc/50/26/43/1034502643.db2.gz GUBOAFPSAAYCBA-SFHVURJKSA-N 1 0 311.425 3.919 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000184843795 1034505371 /nfs/dbraw/zinc/50/53/71/1034505371.db2.gz SXBJOJKPKFKNKY-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000184918326 1034511354 /nfs/dbraw/zinc/51/13/54/1034511354.db2.gz CYQRQLXDNWVXDC-YVEFUNNKSA-N 1 0 305.805 3.738 20 10 DHCDRO CC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794814513 1034519450 /nfs/dbraw/zinc/51/94/50/1034519450.db2.gz LNCYTMGXJKMVNR-KRWDZBQOSA-N 1 0 324.424 3.913 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C)cc1O ZINC000794815753 1034527357 /nfs/dbraw/zinc/52/73/57/1034527357.db2.gz LNDNIBKGTNWSNM-HNNXBMFYSA-N 1 0 320.820 3.869 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812324 1034529742 /nfs/dbraw/zinc/52/97/42/1034529742.db2.gz VVEOIPYGAOHGHJ-DLBZAZTESA-N 1 0 303.377 3.614 20 10 DHCDRO COCCCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185232720 1034535913 /nfs/dbraw/zinc/53/59/13/1034535913.db2.gz GNBQAEIVUJZJSU-LLVKDONJSA-N 1 0 316.239 3.622 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccnc1 ZINC000185232286 1034536225 /nfs/dbraw/zinc/53/62/25/1034536225.db2.gz ZURFYUHNUHRDIS-KRWDZBQOSA-N 1 0 301.409 3.918 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000794817793 1034538741 /nfs/dbraw/zinc/53/87/41/1034538741.db2.gz QVGQXJASVMBYLL-WBVHZDCISA-N 1 0 321.367 3.753 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270625 1034538747 /nfs/dbraw/zinc/53/87/47/1034538747.db2.gz IFVBWZNAIJRGFY-DYVFJYSZSA-N 1 0 313.397 3.965 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000794817791 1034539137 /nfs/dbraw/zinc/53/91/37/1034539137.db2.gz QVGQXJASVMBYLL-RDJZCZTQSA-N 1 0 321.367 3.753 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000185548482 1034558050 /nfs/dbraw/zinc/55/80/50/1034558050.db2.gz WAFKCFGQRQOVIN-BBRMVZONSA-N 1 0 303.402 3.894 20 10 DHCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000794834040 1034566637 /nfs/dbraw/zinc/56/66/37/1034566637.db2.gz WPQPONMEAHMAQU-CABCVRRESA-N 1 0 300.446 3.926 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185834780 1034576319 /nfs/dbraw/zinc/57/63/19/1034576319.db2.gz NNIZGKJCDQRVSZ-LXIYXOSZSA-N 1 0 303.377 3.694 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2)c1 ZINC000186156224 1034603814 /nfs/dbraw/zinc/60/38/14/1034603814.db2.gz VSAJBOMELDEKIQ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354834 1034623947 /nfs/dbraw/zinc/62/39/47/1034623947.db2.gz FZRQREJQATUFLP-NONVJHHQSA-N 1 0 301.430 3.699 20 10 DHCDRO Fc1cc(OC(F)F)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865441250 1034647959 /nfs/dbraw/zinc/64/79/59/1034647959.db2.gz RXHLNPYHNJTAEA-UHFFFAOYSA-N 1 0 323.314 3.652 20 10 DHCDRO Fc1cc(C[NH2+]CCCSc2nccs2)cnc1Cl ZINC000865468577 1034661744 /nfs/dbraw/zinc/66/17/44/1034661744.db2.gz IUUOCJWXPOUUHB-UHFFFAOYSA-N 1 0 317.842 3.603 20 10 DHCDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777466590 1034757466 /nfs/dbraw/zinc/75/74/66/1034757466.db2.gz AHDCXZPNIJSHOU-QGZVFWFLSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000160578916 1035208719 /nfs/dbraw/zinc/20/87/19/1035208719.db2.gz UFWYNXKQDDWIPI-ZBFHGGJFSA-N 1 0 323.440 3.529 20 10 DHCDRO CN(CC[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001177204655 1035355022 /nfs/dbraw/zinc/35/50/22/1035355022.db2.gz SEHGBWZXZMHQJH-UHFFFAOYSA-N 1 0 309.457 3.513 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c(Cl)c1 ZINC001177441435 1035372350 /nfs/dbraw/zinc/37/23/50/1035372350.db2.gz ATUXQOSQDJXROU-FZKQIMNGSA-N 1 0 324.896 3.954 20 10 DHCDRO Clc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001177557728 1035380836 /nfs/dbraw/zinc/38/08/36/1035380836.db2.gz JCVXPAYLSWAGMG-UHFFFAOYSA-N 1 0 301.817 3.997 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001177595201 1035383527 /nfs/dbraw/zinc/38/35/27/1035383527.db2.gz WSWJWZWCCCONFF-UHFFFAOYSA-N 1 0 318.848 3.752 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1F ZINC001177733185 1035390424 /nfs/dbraw/zinc/39/04/24/1035390424.db2.gz HFEHAPKBQZCBTK-ZDUSSCGKSA-N 1 0 318.440 3.565 20 10 DHCDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC001177799947 1035393551 /nfs/dbraw/zinc/39/35/51/1035393551.db2.gz OOKMPIWIRODBAK-CYBMUJFWSA-N 1 0 304.413 3.520 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1F ZINC001177928973 1035400428 /nfs/dbraw/zinc/40/04/28/1035400428.db2.gz RFSBFYIWJOEXFF-IEBWSBKVSA-N 1 0 322.468 3.965 20 10 DHCDRO c1cc2c(cc1C[NH2+]Cc1ccc3c(c1)CCCO3)CCCN2 ZINC000904354185 1035403075 /nfs/dbraw/zinc/40/30/75/1035403075.db2.gz CKYPSYHVZRWHHB-UHFFFAOYSA-N 1 0 308.425 3.660 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@]2(C)CCCS2)ccc1OC ZINC001178161342 1035411516 /nfs/dbraw/zinc/41/15/16/1035411516.db2.gz AMLPOGKQHKTLBK-KRWDZBQOSA-N 1 0 309.475 3.607 20 10 DHCDRO COc1cc(Cl)cc(CNc2ccc(C(C)(C)[NH3+])cc2)c1O ZINC000904470550 1035417690 /nfs/dbraw/zinc/41/76/90/1035417690.db2.gz LPKMMRSAOWZWCK-UHFFFAOYSA-N 1 0 320.820 3.860 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1([C@H](C)CCO)CCC1 ZINC001178321665 1035423592 /nfs/dbraw/zinc/42/35/92/1035423592.db2.gz IXSGZOIBNLDTKY-OAHLLOKOSA-N 1 0 314.473 3.765 20 10 DHCDRO Cc1ccsc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001178321502 1035423602 /nfs/dbraw/zinc/42/36/02/1035423602.db2.gz FWTDLJOCDPLKMN-PLNGDYQASA-N 1 0 300.471 3.968 20 10 DHCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001178408846 1035428197 /nfs/dbraw/zinc/42/81/97/1035428197.db2.gz IGCGKPVMJHRAPY-FQEVSTJZSA-N 1 0 316.489 3.708 20 10 DHCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1F ZINC001178504824 1035431999 /nfs/dbraw/zinc/43/19/99/1035431999.db2.gz FXFDFLHMLHFOFI-UHFFFAOYSA-N 1 0 303.352 3.622 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)O)C2CCCCC2)cc1 ZINC000773756427 1035436405 /nfs/dbraw/zinc/43/64/05/1035436405.db2.gz ILRRJHXZWXUTOW-INIZCTEOSA-N 1 0 304.478 3.658 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000773756087 1035438613 /nfs/dbraw/zinc/43/86/13/1035438613.db2.gz SZKBMBJLNRZPJT-OAQYLSRUSA-N 1 0 324.468 3.625 20 10 DHCDRO COCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001178867464 1035452507 /nfs/dbraw/zinc/45/25/07/1035452507.db2.gz GZCQCYBIYBQOGM-UHFFFAOYSA-N 1 0 303.446 3.698 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)C[C@H]3C)C2)cc1 ZINC001179128974 1035466451 /nfs/dbraw/zinc/46/64/51/1035466451.db2.gz KBOMOCOMHWOBFB-RVKKMQEKSA-N 1 0 302.462 3.688 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1F ZINC001179148434 1035467310 /nfs/dbraw/zinc/46/73/10/1035467310.db2.gz OCLBIKPYQFFUNU-HNNXBMFYSA-N 1 0 315.436 3.960 20 10 DHCDRO CCn1ccc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001179294461 1035472032 /nfs/dbraw/zinc/47/20/32/1035472032.db2.gz APOCAIAKGRNCTF-UHFFFAOYSA-N 1 0 322.456 3.643 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000905006663 1035475056 /nfs/dbraw/zinc/47/50/56/1035475056.db2.gz QLJVQNNPEYRILP-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO c1cncc(C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC001179425516 1035478968 /nfs/dbraw/zinc/47/89/68/1035478968.db2.gz IZQIIAAWCCKEPK-HXUWFJFHSA-N 1 0 322.452 3.908 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1O ZINC001179488999 1035480785 /nfs/dbraw/zinc/48/07/85/1035480785.db2.gz DJEXVJKYTJNKCU-SNVBAGLBSA-N 1 0 322.202 3.711 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(-c3cnco3)cc2)cc1C ZINC001179733876 1035495931 /nfs/dbraw/zinc/49/59/31/1035495931.db2.gz LKJNFKHFAUJHQO-UHFFFAOYSA-N 1 0 308.381 3.948 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898459 1035519469 /nfs/dbraw/zinc/51/94/69/1035519469.db2.gz OAPBQKCYBYLPQE-HOTGVXAUSA-N 1 0 311.853 3.989 20 10 DHCDRO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775558394 1035535682 /nfs/dbraw/zinc/53/56/82/1035535682.db2.gz LRFRTDXLEWJTAF-NSHDSACASA-N 1 0 315.804 3.783 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c1 ZINC001180593866 1035728085 /nfs/dbraw/zinc/72/80/85/1035728085.db2.gz PORPVVQBTLIEOS-HXUWFJFHSA-N 1 0 311.425 3.998 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000153123807 1035754786 /nfs/dbraw/zinc/75/47/86/1035754786.db2.gz WEWAFTBZWYQIKI-APWZRJJASA-N 1 0 302.462 3.897 20 10 DHCDRO CN(C)c1ccc(/C=C\CN2CC[N@H+](C)Cc3ccccc32)cc1 ZINC001181988222 1036061777 /nfs/dbraw/zinc/06/17/77/1036061777.db2.gz XINBSTNKGWRUDY-SREVYHEPSA-N 1 0 321.468 3.718 20 10 DHCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC001182173852 1036103390 /nfs/dbraw/zinc/10/33/90/1036103390.db2.gz METGIIKLWMNDRP-UHFFFAOYSA-N 1 0 304.478 3.748 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774096100 1036160995 /nfs/dbraw/zinc/16/09/95/1036160995.db2.gz HRKHIAXHKOBCKH-JTQLQIEISA-N 1 0 319.276 3.937 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)CCOc2ccc(Cl)cc2)c1 ZINC000775643727 1036167565 /nfs/dbraw/zinc/16/75/65/1036167565.db2.gz TWXVUKBNONPJAK-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000775644584 1036182385 /nfs/dbraw/zinc/18/23/85/1036182385.db2.gz PFWVJKNVOFRWFA-UHFFFAOYSA-N 1 0 319.788 3.715 20 10 DHCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)OCCc2ccccc21 ZINC001203485909 1036240722 /nfs/dbraw/zinc/24/07/22/1036240722.db2.gz QQCQSLOXGLQLOQ-GOSISDBHSA-N 1 0 317.816 3.623 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000775652946 1036242574 /nfs/dbraw/zinc/24/25/74/1036242574.db2.gz WPNQEDDSQXVXLP-GOSISDBHSA-N 1 0 311.425 3.998 20 10 DHCDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775665611 1036292811 /nfs/dbraw/zinc/29/28/11/1036292811.db2.gz FZANJDZFZJWRSG-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774361002 1036298461 /nfs/dbraw/zinc/29/84/61/1036298461.db2.gz WJWNYCIHACPYBV-YLJLNXRRSA-N 1 0 304.217 3.509 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000774377443 1036307084 /nfs/dbraw/zinc/30/70/84/1036307084.db2.gz HXVXBPSOXYTEPZ-OXQOHEQNSA-N 1 0 315.505 3.810 20 10 DHCDRO CN(C)c1ccc(/C=C/CNc2ccc(N3CCCC3)cn2)cc1 ZINC001182499207 1036363276 /nfs/dbraw/zinc/36/32/76/1036363276.db2.gz MFYGWYTVSLJBFP-AATRIKPKSA-N 1 0 322.456 3.873 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC001182726716 1036438627 /nfs/dbraw/zinc/43/86/27/1036438627.db2.gz XVLBDMSQJMHVHX-SFHVURJKSA-N 1 0 324.468 3.793 20 10 DHCDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001196175506 1036465692 /nfs/dbraw/zinc/46/56/92/1036465692.db2.gz LKXIMJZDAOQSBA-IAGOWNOFSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000775713908 1036524669 /nfs/dbraw/zinc/52/46/69/1036524669.db2.gz LMHZKZBZGWGMHR-DZGCQCFKSA-N 1 0 315.388 3.918 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccccc1O ZINC001183354421 1036572478 /nfs/dbraw/zinc/57/24/78/1036572478.db2.gz BHAUARWSBKUKRM-SCTDSRPQSA-N 1 0 324.468 3.953 20 10 DHCDRO Cc1cc(Cl)cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000775726712 1036574787 /nfs/dbraw/zinc/57/47/87/1036574787.db2.gz XPGHGLCLBVPHRN-HNNXBMFYSA-N 1 0 322.880 3.518 20 10 DHCDRO COc1cc(O)c(C[N@H+](CC2CCCCC2)C2CC2)cc1OC ZINC000762172662 1036588123 /nfs/dbraw/zinc/58/81/23/1036588123.db2.gz KGBSIUZRUXUSPH-UHFFFAOYSA-N 1 0 319.445 3.954 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC001183472095 1036599713 /nfs/dbraw/zinc/59/97/13/1036599713.db2.gz LXYQKYDRTXAJIQ-SFHVURJKSA-N 1 0 314.404 3.817 20 10 DHCDRO C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000915208206 1036705496 /nfs/dbraw/zinc/70/54/96/1036705496.db2.gz AEJRNIZBXOFITA-UHFFFAOYSA-N 1 0 311.425 3.782 20 10 DHCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000153523411 1036717090 /nfs/dbraw/zinc/71/70/90/1036717090.db2.gz JJFIFKNJBMLRAP-QGZVFWFLSA-N 1 0 323.436 3.879 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001184068411 1036731387 /nfs/dbraw/zinc/73/13/87/1036731387.db2.gz XQTGBWFTBIQFMJ-SFHVURJKSA-N 1 0 302.462 3.642 20 10 DHCDRO CSCC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001184097201 1036739680 /nfs/dbraw/zinc/73/96/80/1036739680.db2.gz FXSZOZMDQXBSHC-SNAWJCMRSA-N 1 0 304.503 3.841 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)oc1C ZINC000282099937 1036797353 /nfs/dbraw/zinc/79/73/53/1036797353.db2.gz IPOXMXPCMNKEBZ-OAHLLOKOSA-N 1 0 314.429 3.584 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CCC2CC(O)C2)cc1 ZINC000762503827 1036801585 /nfs/dbraw/zinc/80/15/85/1036801585.db2.gz MRFXGESWLWJYDY-UHFFFAOYSA-N 1 0 304.478 3.564 20 10 DHCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237183079 1036998492 /nfs/dbraw/zinc/99/84/92/1036998492.db2.gz ANVZWDKHIKLCJL-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000774832200 1037047108 /nfs/dbraw/zinc/04/71/08/1037047108.db2.gz LASAEJNJAWVJLE-FXAWDEMLSA-N 1 0 311.425 3.964 20 10 DHCDRO Oc1ccc(Cl)cc1CNc1ccc(N2CCCC2)cn1 ZINC000776036704 1037367642 /nfs/dbraw/zinc/36/76/42/1037367642.db2.gz QADKQOKRNYUMQN-UHFFFAOYSA-N 1 0 303.793 3.653 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000776103872 1037432433 /nfs/dbraw/zinc/43/24/33/1037432433.db2.gz BLANLBKRUANCFH-UHFFFAOYSA-N 1 0 310.397 3.789 20 10 DHCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152871657 1037625943 /nfs/dbraw/zinc/62/59/43/1037625943.db2.gz NMBQHEKNZDYORH-HOCLYGCPSA-N 1 0 308.441 3.892 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccco1 ZINC000163626192 1037654164 /nfs/dbraw/zinc/65/41/64/1037654164.db2.gz PTTXPVIGDVHQHR-AWEZNQCLSA-N 1 0 302.443 3.684 20 10 DHCDRO CCOCc1cc(C[NH2+]CCc2ccsc2)ccc1OC ZINC001201529423 1037770848 /nfs/dbraw/zinc/77/08/48/1037770848.db2.gz MUIPUNRCIWGCNN-UHFFFAOYSA-N 1 0 305.443 3.626 20 10 DHCDRO CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(N(C)C)cc1 ZINC000156374329 1038056937 /nfs/dbraw/zinc/05/69/37/1038056937.db2.gz VQWOHIFARLKOQS-IBGZPJMESA-N 1 0 314.477 3.697 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000917074008 1038161315 /nfs/dbraw/zinc/16/13/15/1038161315.db2.gz MTKRPPAYAPFTHE-ZDUSSCGKSA-N 1 0 313.272 3.911 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCCCCC2)cc1Cl ZINC001205474990 1038245914 /nfs/dbraw/zinc/24/59/14/1038245914.db2.gz GOEZNXBVGBBLJU-UHFFFAOYSA-N 1 0 311.853 3.871 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000775371419 1038288659 /nfs/dbraw/zinc/28/86/59/1038288659.db2.gz NXDPEICRPGKPQW-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CO[C@H](CC(C)C)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001190436840 1038315447 /nfs/dbraw/zinc/31/54/47/1038315447.db2.gz MCZNNKMCTRLIHT-LJQANCHMSA-N 1 0 304.478 3.778 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC001190437045 1038317723 /nfs/dbraw/zinc/31/77/23/1038317723.db2.gz RKAXYYGRIJATIC-FQEVSTJZSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775396268 1038343042 /nfs/dbraw/zinc/34/30/42/1038343042.db2.gz VJEYYJVRQROGNA-BRWVUGGUSA-N 1 0 322.543 3.530 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000156905541 1038361052 /nfs/dbraw/zinc/36/10/52/1038361052.db2.gz NXRIUYQCGYUDLD-KSSFIOAISA-N 1 0 318.486 3.763 20 10 DHCDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000165626262 1038550978 /nfs/dbraw/zinc/55/09/78/1038550978.db2.gz BHLXLMCIKYBOEX-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CCCO1 ZINC000057100952 1038565532 /nfs/dbraw/zinc/56/55/32/1038565532.db2.gz UQUCDTDACFESTC-MRXNPFEDSA-N 1 0 315.413 3.555 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000775492771 1038571030 /nfs/dbraw/zinc/57/10/30/1038571030.db2.gz QWRQEWAGFZDDGS-GJZGRUSLSA-N 1 0 319.836 3.897 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000775507207 1038597383 /nfs/dbraw/zinc/59/73/83/1038597383.db2.gz ISFOIHLAPSLQGQ-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O ZINC000775519423 1038621114 /nfs/dbraw/zinc/62/11/14/1038621114.db2.gz OGNSMNVUFCUBHM-INIZCTEOSA-N 1 0 307.340 3.790 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O ZINC000775519425 1038621681 /nfs/dbraw/zinc/62/16/81/1038621681.db2.gz OGNSMNVUFCUBHM-MRXNPFEDSA-N 1 0 307.340 3.790 20 10 DHCDRO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2cc(Cl)ccc2O)[nH]1 ZINC000775523869 1038635395 /nfs/dbraw/zinc/63/53/95/1038635395.db2.gz AHZPHGIFSLLGFP-SKDRFNHKSA-N 1 0 308.813 3.528 20 10 DHCDRO CC[C@H]([NH2+]CCCOc1cccc(OC)c1)c1ccccc1O ZINC000775526851 1038646299 /nfs/dbraw/zinc/64/62/99/1038646299.db2.gz MECQRXVFYCOPTB-SFHVURJKSA-N 1 0 315.413 3.911 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000775539261 1038680628 /nfs/dbraw/zinc/68/06/28/1038680628.db2.gz DKTODSMWZCOUBK-QZDWLRDRSA-N 1 0 319.445 3.755 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCSC(F)(F)F)cc1 ZINC000225635576 1039151838 /nfs/dbraw/zinc/15/18/38/1039151838.db2.gz RPYJTYZUFHDRMU-UHFFFAOYSA-N 1 0 306.397 3.875 20 10 DHCDRO COc1ccc2ccc(O)c(CN(C)Cc3cscn3)c2c1 ZINC000063127344 1040129643 /nfs/dbraw/zinc/12/96/43/1040129643.db2.gz DTWTZLTZBRIGNX-UHFFFAOYSA-N 1 0 314.410 3.643 20 10 DHCDRO Oc1ccccc1C[NH2+]CCc1ccc(Br)s1 ZINC000227440084 1040263242 /nfs/dbraw/zinc/26/32/42/1040263242.db2.gz KQXCWZXOBRDFPL-UHFFFAOYSA-N 1 0 312.232 3.549 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227715734 1040410233 /nfs/dbraw/zinc/41/02/33/1040410233.db2.gz NNOCVSRMSRUATH-UONOGXRCSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227715740 1040410573 /nfs/dbraw/zinc/41/05/73/1040410573.db2.gz NNOCVSRMSRUATH-ZIAGYGMSSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1O ZINC000761226337 1040822561 /nfs/dbraw/zinc/82/25/61/1040822561.db2.gz OWPUXSSIBLXAHB-UHFFFAOYSA-N 1 0 320.820 3.783 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1O ZINC000800527193 1040943210 /nfs/dbraw/zinc/94/32/10/1040943210.db2.gz XULSTIWCWRVODV-SNVBAGLBSA-N 1 0 319.779 3.969 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2cccc(F)c2)c1O ZINC000076902055 185052956 /nfs/dbraw/zinc/05/29/56/185052956.db2.gz IOEKGLCZTJMBTI-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000079121645 185159685 /nfs/dbraw/zinc/15/96/85/185159685.db2.gz PFGWMRGCYIWTGJ-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1ccc2cc(C[NH2+]Cc3ccc(N(C)C)cc3)ccc2n1 ZINC000187636146 200137626 /nfs/dbraw/zinc/13/76/26/200137626.db2.gz HDZBRXILHIKRAO-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000019233403 182110781 /nfs/dbraw/zinc/11/07/81/182110781.db2.gz REJNGCUASUNVPM-ZFWWWQNUSA-N 1 0 304.459 3.716 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343771 130109954 /nfs/dbraw/zinc/10/99/54/130109954.db2.gz AFKMKBFYFAKZLO-HUUCEWRRSA-N 1 0 319.445 3.933 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1C ZINC000273345786 130110218 /nfs/dbraw/zinc/11/02/18/130110218.db2.gz AQZXLYQFBYIQNJ-HDMKZQKVSA-N 1 0 321.486 3.714 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000273362537 130110654 /nfs/dbraw/zinc/11/06/54/130110654.db2.gz DFHWTBYWLBBMCB-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000273356868 130111146 /nfs/dbraw/zinc/11/11/46/130111146.db2.gz CUZMCVXZAFNYTN-LBPRGKRZSA-N 1 0 318.442 3.896 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273386946 130115832 /nfs/dbraw/zinc/11/58/32/130115832.db2.gz JSGHDPPJZQFBAB-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273453848 130123846 /nfs/dbraw/zinc/12/38/46/130123846.db2.gz GPARVZVITHOOMM-AWEZNQCLSA-N 1 0 303.446 3.738 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1C ZINC000273449310 130124158 /nfs/dbraw/zinc/12/41/58/130124158.db2.gz FSTCXVMMTOIDIG-CKFHNAJUSA-N 1 0 317.404 3.921 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1 ZINC000273479908 130125862 /nfs/dbraw/zinc/12/58/62/130125862.db2.gz LRZPOZQFGLMNTI-AWEZNQCLSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000273506813 130130944 /nfs/dbraw/zinc/13/09/44/130130944.db2.gz RBTWRSOITUUTSX-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273555641 130136413 /nfs/dbraw/zinc/13/64/13/130136413.db2.gz GWQUKIZRGSJTGO-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563841 130136543 /nfs/dbraw/zinc/13/65/43/130136543.db2.gz IVZPOJOTDOYPMB-ZBFHGGJFSA-N 1 0 303.402 3.949 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273562972 130137316 /nfs/dbraw/zinc/13/73/16/130137316.db2.gz IQRTYSWUSNFPOL-ZDUSSCGKSA-N 1 0 302.418 3.973 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000274874674 130269093 /nfs/dbraw/zinc/26/90/93/130269093.db2.gz GJDORPNELJBBIJ-HOTGVXAUSA-N 1 0 304.459 3.797 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1ccccc1O ZINC000274959956 130277933 /nfs/dbraw/zinc/27/79/33/130277933.db2.gz WJVQVWZVLUEMPF-PZPSRYQVSA-N 1 0 303.377 3.694 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(F)c1 ZINC000275127199 130292649 /nfs/dbraw/zinc/29/26/49/130292649.db2.gz KXANQPQOEOOUGK-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000288517126 131329283 /nfs/dbraw/zinc/32/92/83/131329283.db2.gz UHMQXGUKUSAQRO-DGCLKSJQSA-N 1 0 317.351 3.859 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC000288689190 131335290 /nfs/dbraw/zinc/33/52/90/131335290.db2.gz XSEPLADUKMNHEU-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000295119610 131884426 /nfs/dbraw/zinc/88/44/26/131884426.db2.gz XELXIXLXSWVJBM-JQWIXIFHSA-N 1 0 303.324 3.564 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870325 131926136 /nfs/dbraw/zinc/92/61/36/131926136.db2.gz GDYNSSQCOMASIB-KBXCAEBGSA-N 1 0 300.450 3.771 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1OC ZINC000297498182 132019703 /nfs/dbraw/zinc/01/97/03/132019703.db2.gz BVHPLPKLPAVEHI-OAHLLOKOSA-N 1 0 313.397 3.577 20 10 DHCDRO Cc1noc(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298697709 132074294 /nfs/dbraw/zinc/07/42/94/132074294.db2.gz GHTQXWMGXHCRML-UHFFFAOYSA-N 1 0 301.434 3.768 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c(O)c1 ZINC000293898656 335115448 /nfs/dbraw/zinc/11/54/48/335115448.db2.gz WINRCNQGFRKZSL-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000185405118 333208445 /nfs/dbraw/zinc/20/84/45/333208445.db2.gz SGAVBXPXZOUWII-ZIAGYGMSSA-N 1 0 313.397 3.618 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000294804122 335127930 /nfs/dbraw/zinc/12/79/30/335127930.db2.gz PEAXCWXKQOYEAY-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000295029779 335129917 /nfs/dbraw/zinc/12/99/17/335129917.db2.gz NTSZSHSICZKLEK-ZYHUDNBSSA-N 1 0 303.324 3.564 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000184999128 333368691 /nfs/dbraw/zinc/36/86/91/333368691.db2.gz KXPHJSZVVVPIQL-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296357472 335143603 /nfs/dbraw/zinc/14/36/03/335143603.db2.gz IPVACOBWVBEZOO-NXEZZACHSA-N 1 0 306.233 3.758 20 10 DHCDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000296335868 335143766 /nfs/dbraw/zinc/14/37/66/335143766.db2.gz GQEXIQLAOMGNMC-YJBOKZPZSA-N 1 0 317.816 3.530 20 10 DHCDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1Cl ZINC000296562204 335146217 /nfs/dbraw/zinc/14/62/17/335146217.db2.gz ULSZEMPBOYCENW-MAUKXSAKSA-N 1 0 317.816 3.530 20 10 DHCDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)[nH]1 ZINC000273466284 334047630 /nfs/dbraw/zinc/04/76/30/334047630.db2.gz IWYFDHZBBPMVQM-RYUDHWBXSA-N 1 0 310.401 3.638 20 10 DHCDRO CCOC(CC[NH2+][C@H](CC)c1ccc(N(C)C)cc1)OCC ZINC000276457955 334078884 /nfs/dbraw/zinc/07/88/84/334078884.db2.gz BQDHTGPWLSBCQJ-QGZVFWFLSA-N 1 0 308.466 3.583 20 10 DHCDRO COCC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000296827804 334237081 /nfs/dbraw/zinc/23/70/81/334237081.db2.gz WECWLLGQOBOLHK-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000192927852 336284585 /nfs/dbraw/zinc/28/45/85/336284585.db2.gz VEUCCDHKVJVLNP-SFHVURJKSA-N 1 0 324.424 3.760 20 10 DHCDRO CCCn1nccc1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000367250949 336570383 /nfs/dbraw/zinc/57/03/83/336570383.db2.gz MSGQNQIHSVUGAL-UHFFFAOYSA-N 1 0 313.445 3.687 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367259807 336582511 /nfs/dbraw/zinc/58/25/11/336582511.db2.gz KOKBKCSASUZRSG-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000368814903 336853307 /nfs/dbraw/zinc/85/33/07/336853307.db2.gz XHRXWACQEJDRKQ-ZBQZNYHESA-N 1 0 315.388 3.960 20 10 DHCDRO CCCn1nccc1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000374374489 336988425 /nfs/dbraw/zinc/98/84/25/336988425.db2.gz WOQCBUASDOZOKC-UHFFFAOYSA-N 1 0 317.408 3.517 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000374495188 336990576 /nfs/dbraw/zinc/99/05/76/336990576.db2.gz HOQOXIFDKRGILB-XLIONFOSSA-N 1 0 311.425 3.876 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000374710127 336995561 /nfs/dbraw/zinc/99/55/61/336995561.db2.gz BUYCRSQPANTYCH-IXDGSTSKSA-N 1 0 314.404 3.627 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c(O)c1C ZINC000375234182 337006169 /nfs/dbraw/zinc/00/61/69/337006169.db2.gz PMWDVVBHEKGSQQ-HUUCEWRRSA-N 1 0 324.424 3.786 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256589 337006622 /nfs/dbraw/zinc/00/66/22/337006622.db2.gz SUJQRTGGXMKBLT-AZUAARDMSA-N 1 0 309.409 3.975 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000375254461 337006673 /nfs/dbraw/zinc/00/66/73/337006673.db2.gz ZEWHIXZDUQXMGW-GOSISDBHSA-N 1 0 313.445 3.939 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305750354 337035634 /nfs/dbraw/zinc/03/56/34/337035634.db2.gz ZHUKPQQIOQOBHJ-AEFFLSMTSA-N 1 0 315.413 3.854 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000376674026 337039437 /nfs/dbraw/zinc/03/94/37/337039437.db2.gz SSANLKGWRICCDS-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c(O)c1C ZINC000376896731 337043443 /nfs/dbraw/zinc/04/34/43/337043443.db2.gz OZFGDCHRZDKPPU-YOEHRIQHSA-N 1 0 324.424 3.786 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(C)cc1O ZINC000377139106 337047534 /nfs/dbraw/zinc/04/75/34/337047534.db2.gz HVTXWEGFRUIBKJ-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377624130 337056722 /nfs/dbraw/zinc/05/67/22/337056722.db2.gz GFPAGTLFAJWMSD-GOSISDBHSA-N 1 0 311.429 3.815 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ncc(C)s2)c1O ZINC000228675967 337078169 /nfs/dbraw/zinc/07/81/69/337078169.db2.gz YOFNFCDZCNIJKD-SECBINFHSA-N 1 0 312.822 3.670 20 10 DHCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000194172507 337082295 /nfs/dbraw/zinc/08/22/95/337082295.db2.gz JJYUINONMFGXPH-KBPBESRZSA-N 1 0 314.429 3.501 20 10 DHCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000194172535 337082408 /nfs/dbraw/zinc/08/24/08/337082408.db2.gz JJYUINONMFGXPH-UONOGXRCSA-N 1 0 314.429 3.501 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000179562035 337170358 /nfs/dbraw/zinc/17/03/58/337170358.db2.gz CWRKSRHBLPRBPL-UHFFFAOYSA-N 1 0 300.377 3.608 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1O ZINC000183559674 337192274 /nfs/dbraw/zinc/19/22/74/337192274.db2.gz BOFTZZAABMILBJ-GJZGRUSLSA-N 1 0 307.397 3.990 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000183631804 337193874 /nfs/dbraw/zinc/19/38/74/337193874.db2.gz RSJKWIRHRJGSLV-KGLIPLIRSA-N 1 0 323.396 3.897 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186442288 337256181 /nfs/dbraw/zinc/25/61/81/337256181.db2.gz YYTVNGZFEUVKNQ-GOSISDBHSA-N 1 0 315.800 3.677 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1C ZINC000191124801 337294449 /nfs/dbraw/zinc/29/44/49/337294449.db2.gz BNYIFXNHXVVSSL-INIZCTEOSA-N 1 0 301.361 3.762 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000527779513 337763533 /nfs/dbraw/zinc/76/35/33/337763533.db2.gz JHHBOMZCVSKKTN-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)cc1F ZINC000529654517 340766939 /nfs/dbraw/zinc/76/69/39/340766939.db2.gz WMPCIXZVFINDAC-UHFFFAOYSA-N 1 0 307.340 3.704 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCOCC1 ZINC000530360350 340789288 /nfs/dbraw/zinc/78/92/88/340789288.db2.gz MLMKAQDJWIHLLD-KRWDZBQOSA-N 1 0 300.446 3.782 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000134230428 341210283 /nfs/dbraw/zinc/21/02/83/341210283.db2.gz FPVZOXBLBRTTEG-OAHLLOKOSA-N 1 0 318.214 3.932 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000568772175 341681177 /nfs/dbraw/zinc/68/11/77/341681177.db2.gz ORGZZUQPJDNYET-UHFFFAOYSA-N 1 0 318.424 3.733 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000268768786 520286693 /nfs/dbraw/zinc/28/66/93/520286693.db2.gz OUUVOGJPRRVGTB-ZDUSSCGKSA-N 1 0 303.475 3.801 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157873058 520288579 /nfs/dbraw/zinc/28/85/79/520288579.db2.gz DNEUWJQVCPZCKK-BJZITVGISA-N 1 0 302.462 3.751 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157774428 522721377 /nfs/dbraw/zinc/72/13/77/522721377.db2.gz YUELIGINQHCTNR-NEWSRXKRSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000182623768 524871063 /nfs/dbraw/zinc/87/10/63/524871063.db2.gz ALFSMMSHQZSQHK-OAHLLOKOSA-N 1 0 309.837 3.935 20 10 DHCDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000266968522 525340728 /nfs/dbraw/zinc/34/07/28/525340728.db2.gz NCLFGYUDONSTSL-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839535 525364032 /nfs/dbraw/zinc/36/40/32/525364032.db2.gz QZIWXSINKJBMFA-WWGRRREGSA-N 1 0 305.443 3.925 20 10 DHCDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000192923528 525432674 /nfs/dbraw/zinc/43/26/74/525432674.db2.gz VUWMKVZMYUXZOA-OAHLLOKOSA-N 1 0 308.441 3.629 20 10 DHCDRO C[C@H]([NH2+]Cc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156498958 525469612 /nfs/dbraw/zinc/46/96/12/525469612.db2.gz BABQHINNVPTPCW-ZDUSSCGKSA-N 1 0 320.433 3.575 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cc(F)ccc1O ZINC000186507836 525527664 /nfs/dbraw/zinc/52/76/64/525527664.db2.gz PEBURNONXVMMRZ-GFCCVEGCSA-N 1 0 318.392 3.954 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163823012 525609220 /nfs/dbraw/zinc/60/92/20/525609220.db2.gz JGNUWIKAZLLLIN-JKSUJKDBSA-N 1 0 312.461 3.822 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1C ZINC000134787694 525748930 /nfs/dbraw/zinc/74/89/30/525748930.db2.gz GDRAVYHQAVHPBK-KCMWZYNZSA-N 1 0 301.430 3.617 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000160541565 525920114 /nfs/dbraw/zinc/92/01/14/525920114.db2.gz SHEUBINELCCUPU-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cc(C)ccc1O ZINC000366370147 527103803 /nfs/dbraw/zinc/10/38/03/527103803.db2.gz JEUWLADGIYKXEN-CYBMUJFWSA-N 1 0 302.443 3.675 20 10 DHCDRO CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287765933 535802801 /nfs/dbraw/zinc/80/28/01/535802801.db2.gz RFENSLUFGHQCOL-MRXNPFEDSA-N 1 0 310.869 3.959 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(F)cc1[O-] ZINC000285719542 535894027 /nfs/dbraw/zinc/89/40/27/535894027.db2.gz QAOJHJSAHXTULA-KRWDZBQOSA-N 1 0 308.441 3.692 20 10 DHCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000271604003 536934740 /nfs/dbraw/zinc/93/47/40/536934740.db2.gz YXMJWBQWYNKUKJ-AUUYWEPGSA-N 1 0 315.413 3.575 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000246959863 1013249648 /nfs/dbraw/zinc/24/96/48/1013249648.db2.gz HUEKIXZQEXOKCD-HCXYKTFWSA-N 1 0 302.462 3.751 20 10 DHCDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)CCO1 ZINC000894419008 1013355095 /nfs/dbraw/zinc/35/50/95/1013355095.db2.gz FAGQLHSWPZWENE-IAGOWNOFSA-N 1 0 321.461 3.783 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1O ZINC000894461917 1013378087 /nfs/dbraw/zinc/37/80/87/1013378087.db2.gz LZHIOFVPBPABDI-YOEHRIQHSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1ccc(O)c([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000319956899 1013397153 /nfs/dbraw/zinc/39/71/53/1013397153.db2.gz UXTJZYFWDMOGCH-HNNXBMFYSA-N 1 0 314.429 3.814 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCCC(F)(F)F)c1O ZINC000894563735 1013417003 /nfs/dbraw/zinc/41/70/03/1013417003.db2.gz VQBUQNGGGCQJMZ-LLVKDONJSA-N 1 0 305.340 3.920 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1O ZINC000894662590 1013445229 /nfs/dbraw/zinc/44/52/29/1013445229.db2.gz MUIMYMZMQPHSAL-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000894868865 1013570560 /nfs/dbraw/zinc/57/05/60/1013570560.db2.gz JNNSAKLBZBWFLW-AWEZNQCLSA-N 1 0 315.438 3.688 20 10 DHCDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001140184517 1013801191 /nfs/dbraw/zinc/80/11/91/1013801191.db2.gz XTUUWLUAZPMRFO-UHFFFAOYSA-N 1 0 302.805 3.616 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077220982 1013855337 /nfs/dbraw/zinc/85/53/37/1013855337.db2.gz OIXJPFUWEMMMQW-UHFFFAOYSA-N 1 0 313.401 3.731 20 10 DHCDRO COc1cc(C[N@H+](CCc2nccs2)C(C)C)c(O)cc1C ZINC000160485263 1014112287 /nfs/dbraw/zinc/11/22/87/1014112287.db2.gz IAPVGMJLKPZXGK-UHFFFAOYSA-N 1 0 320.458 3.619 20 10 DHCDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccccc1O ZINC000237177682 1014315014 /nfs/dbraw/zinc/31/50/14/1014315014.db2.gz NJIKTVWUYPEIRS-AWEZNQCLSA-N 1 0 317.454 3.919 20 10 DHCDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000069628646 1014770071 /nfs/dbraw/zinc/77/00/71/1014770071.db2.gz BENWVKLCHSWNGF-DOMZBBRYSA-N 1 0 302.393 3.898 20 10 DHCDRO Oc1cccc(Br)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000707129660 1015086872 /nfs/dbraw/zinc/08/68/72/1015086872.db2.gz ORWUPFJJXVHIQG-RYUDHWBXSA-N 1 0 310.235 3.777 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000707157310 1015133811 /nfs/dbraw/zinc/13/38/11/1015133811.db2.gz MWBWEKAXCWLRBS-MRVPVSSYSA-N 1 0 324.140 3.539 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425449 1015480620 /nfs/dbraw/zinc/48/06/20/1015480620.db2.gz AATRWPWNGHSPBD-RBUKOAKNSA-N 1 0 322.452 3.806 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896515610 1015617047 /nfs/dbraw/zinc/61/70/47/1015617047.db2.gz GXHNISFFKLYSAJ-CQSZACIVSA-N 1 0 314.454 3.717 20 10 DHCDRO CCC[N@H+](Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1O ZINC000891854429 1015688615 /nfs/dbraw/zinc/68/86/15/1015688615.db2.gz YULDXEQUFXWBFI-UHFFFAOYSA-N 1 0 312.369 3.651 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cc(F)ccc1OC ZINC000896688438 1015705329 /nfs/dbraw/zinc/70/53/29/1015705329.db2.gz LRHNHDWFSKPDQB-OAHLLOKOSA-N 1 0 307.340 3.920 20 10 DHCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(Br)cc1O ZINC000277010796 1015849357 /nfs/dbraw/zinc/84/93/57/1015849357.db2.gz BWHZCQRHGVFEAI-SSDOTTSWSA-N 1 0 306.150 3.603 20 10 DHCDRO Cn1c(-c2ccccc2)cnc1SCC[NH+]1CCCCC1 ZINC000071798099 1016136465 /nfs/dbraw/zinc/13/64/65/1016136465.db2.gz RRATYYKDYALMKX-UHFFFAOYSA-N 1 0 301.459 3.665 20 10 DHCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000399575835 1016167667 /nfs/dbraw/zinc/16/76/67/1016167667.db2.gz HWNRMLLLBUYZHS-SRVKXCTJSA-N 1 0 312.251 3.939 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c(O)c1OC ZINC000892115823 1016250972 /nfs/dbraw/zinc/25/09/72/1016250972.db2.gz UMFOMAIATOPJCH-UHFFFAOYSA-N 1 0 305.418 3.566 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CC(C)C ZINC000184949592 1016463531 /nfs/dbraw/zinc/46/35/31/1016463531.db2.gz ZCFFGIVFVHJKDV-GJZGRUSLSA-N 1 0 322.449 3.512 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000185032780 1016504397 /nfs/dbraw/zinc/50/43/97/1016504397.db2.gz CBFSGHUCXMCNBY-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO COCC1=CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000185054773 1016526194 /nfs/dbraw/zinc/52/61/94/1016526194.db2.gz GYWYGLDTLZUFHO-UHFFFAOYSA-N 1 0 303.446 3.777 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c(O)c1 ZINC000185091780 1016549459 /nfs/dbraw/zinc/54/94/59/1016549459.db2.gz QJGISTZSNSJANB-FUHWJXTLSA-N 1 0 312.457 3.524 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c(O)c1 ZINC000185091762 1016550353 /nfs/dbraw/zinc/55/03/53/1016550353.db2.gz QJGISTZSNSJANB-SJLPKXTDSA-N 1 0 312.457 3.524 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079731 1016545152 /nfs/dbraw/zinc/54/51/52/1016545152.db2.gz LBCACYGIKWOJOG-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc2c(C[N@H+](C)Cc3ccccc3O)cc(=O)oc2c1C ZINC000111235937 1016746689 /nfs/dbraw/zinc/74/66/89/1016746689.db2.gz UZUVVVHJTRIKNF-UHFFFAOYSA-N 1 0 323.392 3.747 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000185302018 1016833816 /nfs/dbraw/zinc/83/38/16/1016833816.db2.gz PTOOBYCRTSKGGD-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000185533471 1016972253 /nfs/dbraw/zinc/97/22/53/1016972253.db2.gz UCIUCDGBNRWITR-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000072925108 1016996004 /nfs/dbraw/zinc/99/60/04/1016996004.db2.gz JGQIUEXZDFFMTJ-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)c1 ZINC000185555802 1017004823 /nfs/dbraw/zinc/00/48/23/1017004823.db2.gz ZRGFXVDZEHLXMN-STQMWFEESA-N 1 0 305.443 3.992 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1 ZINC000185573016 1017018105 /nfs/dbraw/zinc/01/81/05/1017018105.db2.gz RVGLTRXUJGYCCL-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1 ZINC000185576117 1017019651 /nfs/dbraw/zinc/01/96/51/1017019651.db2.gz VTTPWEFYYFNCEV-UONOGXRCSA-N 1 0 303.377 3.958 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897082525 1017035184 /nfs/dbraw/zinc/03/51/84/1017035184.db2.gz UCPMPEXMORYCEU-CXAGYDPISA-N 1 0 309.837 3.649 20 10 DHCDRO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000320530364 1017053800 /nfs/dbraw/zinc/05/38/00/1017053800.db2.gz PSFDLHDUHSJFCM-HNNXBMFYSA-N 1 0 313.445 3.786 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000192783952 1017058943 /nfs/dbraw/zinc/05/89/43/1017058943.db2.gz VYKGTFFLEAIIFZ-ZIAGYGMSSA-N 1 0 313.397 3.884 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cc(F)ccc2F)c1 ZINC000185633736 1017064904 /nfs/dbraw/zinc/06/49/04/1017064904.db2.gz JHGXHEBOOPAKQP-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)ccc1N(C)C ZINC000772996724 1032451277 /nfs/dbraw/zinc/45/12/77/1032451277.db2.gz GTBZXUUCTNBENM-OAHLLOKOSA-N 1 0 300.450 3.689 20 10 DHCDRO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091956448 1032466209 /nfs/dbraw/zinc/46/62/09/1032466209.db2.gz YDVYCDRASKWQRR-UHFFFAOYSA-N 1 0 307.397 3.723 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000185672229 1017091450 /nfs/dbraw/zinc/09/14/50/1017091450.db2.gz CJEOJMHLHDMPBJ-YCPHGPKFSA-N 1 0 310.441 3.821 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cnc(C)s1)c1ccc(N(C)C)cc1 ZINC000773083577 1032551295 /nfs/dbraw/zinc/55/12/95/1032551295.db2.gz USJPUGVAPUQVKD-QGZVFWFLSA-N 1 0 303.475 3.801 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cccc3c2NCCC3)n1 ZINC000894304490 1012405606 /nfs/dbraw/zinc/40/56/06/1012405606.db2.gz QRKXJZWQPCMPIF-UHFFFAOYSA-N 1 0 319.499 3.773 20 10 DHCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037140262 1032642777 /nfs/dbraw/zinc/64/27/77/1032642777.db2.gz BQTXCMHDFITHDU-LBPRGKRZSA-N 1 0 305.805 3.862 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1C ZINC000773256185 1032661505 /nfs/dbraw/zinc/66/15/05/1032661505.db2.gz BFYJGAWEQRCGSU-IRXDYDNUSA-N 1 0 303.446 3.648 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2COc3c2cccc3Cl)c1O ZINC000894344089 1012945935 /nfs/dbraw/zinc/94/59/35/1012945935.db2.gz LDPWQASNUXSMSI-AWEZNQCLSA-N 1 0 319.788 3.586 20 10 DHCDRO CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(N(C)C)cc1 ZINC001209148768 1013027143 /nfs/dbraw/zinc/02/71/43/1013027143.db2.gz KVDFDUUEDPEECO-UHFFFAOYSA-N 1 0 324.468 3.752 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1Cl ZINC000894352541 1013041085 /nfs/dbraw/zinc/04/10/85/1013041085.db2.gz PLVBEGDFGGKMNL-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000192915209 1017226148 /nfs/dbraw/zinc/22/61/48/1017226148.db2.gz ABFOYMDYJYKARO-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921501615 1017250861 /nfs/dbraw/zinc/25/08/61/1017250861.db2.gz LQADOUCNLMBVOM-AWEZNQCLSA-N 1 0 324.424 3.821 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc2ccccc2c1O ZINC000320856977 1017332889 /nfs/dbraw/zinc/33/28/89/1017332889.db2.gz UPBQNMZUPAVZEX-MRXNPFEDSA-N 1 0 312.457 3.928 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926911095 1032698239 /nfs/dbraw/zinc/69/82/39/1032698239.db2.gz LIXFFVYNRGUECE-MJVIPROJSA-N 1 0 303.324 3.543 20 10 DHCDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000796843947 1017531287 /nfs/dbraw/zinc/53/12/87/1017531287.db2.gz BMSPOCQMRDUBNT-INIZCTEOSA-N 1 0 318.348 3.723 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000119106932 1017552570 /nfs/dbraw/zinc/55/25/70/1017552570.db2.gz OKUKTIKMEYAAOM-KKSFZXQISA-N 1 0 322.452 3.861 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161495356 1017965471 /nfs/dbraw/zinc/96/54/71/1017965471.db2.gz KNYOFRFLLGYOBG-UYAOXDASSA-N 1 0 312.457 3.569 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000113321004 1018012299 /nfs/dbraw/zinc/01/22/99/1018012299.db2.gz WPEYZQNCCPOJCA-CQSZACIVSA-N 1 0 316.832 3.662 20 10 DHCDRO Nc1ccc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000841035091 1018094028 /nfs/dbraw/zinc/09/40/28/1018094028.db2.gz KKSGYENTHSWDHX-UHFFFAOYSA-N 1 0 312.310 3.759 20 10 DHCDRO CCCN(Cc1nn(CC)c2ccccc12)c1ccc(C[NH3+])cc1 ZINC000325236695 1018165936 /nfs/dbraw/zinc/16/59/36/1018165936.db2.gz WFMFNDCVPIKIJD-UHFFFAOYSA-N 1 0 322.456 3.932 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)[nH]n1 ZINC000766082707 1018195494 /nfs/dbraw/zinc/19/54/94/1018195494.db2.gz BESJYZSKYZNITF-CQSZACIVSA-N 1 0 316.424 3.698 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000764590485 1018325535 /nfs/dbraw/zinc/32/55/35/1018325535.db2.gz FBMROOALLGVQEH-AWEZNQCLSA-N 1 0 302.393 3.621 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764760291 1018365956 /nfs/dbraw/zinc/36/59/56/1018365956.db2.gz HZEJAGHOOIVEGT-KBXCAEBGSA-N 1 0 317.502 3.768 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCCCC1 ZINC000764860622 1018402296 /nfs/dbraw/zinc/40/22/96/1018402296.db2.gz GHJJTMYJKSQHAV-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)CC)cc1)N1CCCC1 ZINC000764868802 1018409165 /nfs/dbraw/zinc/40/91/65/1018409165.db2.gz JBQKSOCVNMNEBZ-AEFFLSMTSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000764867700 1018410081 /nfs/dbraw/zinc/41/00/81/1018410081.db2.gz CZMPEQSTBDOHCQ-MJGOQNOKSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764880073 1018416368 /nfs/dbraw/zinc/41/63/68/1018416368.db2.gz AAHWAFZPPDOIAI-QFBILLFUSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764933635 1018431860 /nfs/dbraw/zinc/43/18/60/1018431860.db2.gz QFUYVOVXKOOBDT-IKGGRYGDSA-N 1 0 303.494 3.524 20 10 DHCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765090448 1018468682 /nfs/dbraw/zinc/46/86/82/1018468682.db2.gz SNVIDTFBFQNXDV-WMZOPIPTSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000926919353 1032769351 /nfs/dbraw/zinc/76/93/51/1032769351.db2.gz MYHNIMFFBSSGHP-JTQLQIEISA-N 1 0 306.406 3.717 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161868110 1018662434 /nfs/dbraw/zinc/66/24/34/1018662434.db2.gz ZLONLKCGGYGIOL-KRWDZBQOSA-N 1 0 310.441 3.716 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000765255433 1018737393 /nfs/dbraw/zinc/73/73/93/1018737393.db2.gz QLJCSGIMMVXGKX-IRXDYDNUSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765281077 1018745285 /nfs/dbraw/zinc/74/52/85/1018745285.db2.gz PNPCZSMBEBVKBN-AWEZNQCLSA-N 1 0 302.393 3.621 20 10 DHCDRO C[C@H]([NH2+]CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765347757 1018764205 /nfs/dbraw/zinc/76/42/05/1018764205.db2.gz GRNGJTHTRWZMRI-ZDUSSCGKSA-N 1 0 308.853 3.627 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)CC(F)F ZINC000706857860 1018765893 /nfs/dbraw/zinc/76/58/93/1018765893.db2.gz JRKNDNNVBZFCKM-MRVPVSSYSA-N 1 0 308.166 3.536 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000765442095 1018790352 /nfs/dbraw/zinc/79/03/52/1018790352.db2.gz RHIKLBCXCAJCEX-IRXDYDNUSA-N 1 0 303.494 3.524 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4ccc(F)cc43)ccc21 ZINC000765478247 1018799967 /nfs/dbraw/zinc/79/99/67/1018799967.db2.gz CQEFGNVDUNUZEL-LJQANCHMSA-N 1 0 310.416 3.985 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCC2CCOCC2)cc1 ZINC000765929775 1018860613 /nfs/dbraw/zinc/86/06/13/1018860613.db2.gz UJMVQMGJXBKIIT-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCC2CCOCC2)C2CC2)cc1 ZINC000765933271 1018871911 /nfs/dbraw/zinc/87/19/11/1018871911.db2.gz QKRAPXFUVFNMTR-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO CCC(CC)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715711747 1018944631 /nfs/dbraw/zinc/94/46/31/1018944631.db2.gz HTNNOIKMXFPGGH-UHFFFAOYSA-N 1 0 304.203 3.914 20 10 DHCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000715707422 1018946288 /nfs/dbraw/zinc/94/62/88/1018946288.db2.gz FMHLGSAOIMDEPT-ZFWWWQNUSA-N 1 0 317.429 3.524 20 10 DHCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134922447 1019051643 /nfs/dbraw/zinc/05/16/43/1019051643.db2.gz YFTMHUYYQVAVSX-BDAKNGLRSA-N 1 0 304.253 3.557 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000765698990 1019054798 /nfs/dbraw/zinc/05/47/98/1019054798.db2.gz WHOHRFFPDRSYGK-CQSZACIVSA-N 1 0 316.420 3.794 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000766165524 1019067316 /nfs/dbraw/zinc/06/73/16/1019067316.db2.gz AUQYZLCJKIMYQZ-BMGDILEWSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000765723080 1019071569 /nfs/dbraw/zinc/07/15/69/1019071569.db2.gz DJNBLXFLGGXWMU-UHFFFAOYSA-N 1 0 303.446 3.753 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000785439804 1019116861 /nfs/dbraw/zinc/11/68/61/1019116861.db2.gz XHGOTAJHLDWFHO-RLFYNMQTSA-N 1 0 302.462 3.608 20 10 DHCDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825773973 1032808742 /nfs/dbraw/zinc/80/87/42/1032808742.db2.gz SAMWFIXAMVOXDW-UKRRQHHQSA-N 1 0 321.461 3.698 20 10 DHCDRO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765962605 1019194753 /nfs/dbraw/zinc/19/47/53/1019194753.db2.gz ULXFBRCWCUDSEG-AEFFLSMTSA-N 1 0 303.494 3.668 20 10 DHCDRO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]2CCOC2)cc1 ZINC000921961623 1019222628 /nfs/dbraw/zinc/22/26/28/1019222628.db2.gz WFBOYQMNIQTOSG-PZJWPPBQSA-N 1 0 323.436 3.879 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@]1(C)O ZINC001143103491 1019369466 /nfs/dbraw/zinc/36/94/66/1019369466.db2.gz DRXWZSIACMJQAK-IFXJQAMLSA-N 1 0 305.462 3.673 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858299216 1032836150 /nfs/dbraw/zinc/83/61/50/1032836150.db2.gz RHBZBMOSLMXEAW-CQSZACIVSA-N 1 0 320.795 3.553 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1 ZINC000186183830 1019614014 /nfs/dbraw/zinc/61/40/14/1019614014.db2.gz YAGVSTOOXFUVAJ-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC001171730295 1032847246 /nfs/dbraw/zinc/84/72/46/1032847246.db2.gz SWWYALJVDRVFDN-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1O ZINC000858321191 1032847341 /nfs/dbraw/zinc/84/73/41/1032847341.db2.gz VJRSGTIXBASAEP-OAHLLOKOSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000186515604 1019781065 /nfs/dbraw/zinc/78/10/65/1019781065.db2.gz JJYWLOUURKABSS-YOEHRIQHSA-N 1 0 303.446 3.881 20 10 DHCDRO CCC[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000727830939 1019819707 /nfs/dbraw/zinc/81/97/07/1019819707.db2.gz WXFWZURRMREWEX-UHFFFAOYSA-N 1 0 313.397 3.576 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922215943 1019893426 /nfs/dbraw/zinc/89/34/26/1019893426.db2.gz GLFCCZDWZBGCSW-VIFPVBQESA-N 1 0 321.808 3.506 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2CCCc3scnc32)n1 ZINC000858365159 1032864332 /nfs/dbraw/zinc/86/43/32/1032864332.db2.gz KKTGDGKMIUQZSU-SNVBAGLBSA-N 1 0 311.501 3.749 20 10 DHCDRO COc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000730378395 1019980018 /nfs/dbraw/zinc/98/00/18/1019980018.db2.gz CQKNYDBSROJOKD-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO Cc1noc(C)c1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000730578300 1020002978 /nfs/dbraw/zinc/00/29/78/1020002978.db2.gz JDYCIVXTBZLCAS-UHFFFAOYSA-N 1 0 322.408 3.996 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000765992304 1020126849 /nfs/dbraw/zinc/12/68/49/1020126849.db2.gz IFWTXOQZYACQMP-SJORKVTESA-N 1 0 322.880 3.788 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2c(C)cc(CO)cc2C)c(Cl)c1 ZINC000922562693 1020127584 /nfs/dbraw/zinc/12/75/84/1020127584.db2.gz OTQIGQPNLJVCOE-UHFFFAOYSA-N 1 0 319.832 3.753 20 10 DHCDRO CCC(CC)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765992184 1020134861 /nfs/dbraw/zinc/13/48/61/1020134861.db2.gz HAPHUTCSINCMPS-INIZCTEOSA-N 1 0 310.869 3.788 20 10 DHCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)Nc1ccccc1 ZINC000731845913 1020158337 /nfs/dbraw/zinc/15/83/37/1020158337.db2.gz NFOWYQOBQSGMBF-UHFFFAOYSA-N 1 0 324.424 3.776 20 10 DHCDRO CC[NH+](CC)Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000731868600 1020165130 /nfs/dbraw/zinc/16/51/30/1020165130.db2.gz KSWQVTBRLBBGBJ-UHFFFAOYSA-N 1 0 304.415 3.548 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(O)c1OC ZINC000892422835 1020186244 /nfs/dbraw/zinc/18/62/44/1020186244.db2.gz JPCNKPNYSAEGBE-MRXNPFEDSA-N 1 0 313.397 3.577 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000765799373 1020218726 /nfs/dbraw/zinc/21/87/26/1020218726.db2.gz HXGIUICQWSMAAP-IBGZPJMESA-N 1 0 303.494 3.668 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2cnc3ccccc3c2)c1O ZINC000922704116 1020222521 /nfs/dbraw/zinc/22/25/21/1020222521.db2.gz OOYAZSSKDBFQMK-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000732818059 1020287778 /nfs/dbraw/zinc/28/77/78/1020287778.db2.gz RHTSGYAOGHHXLP-LJQANCHMSA-N 1 0 306.494 3.810 20 10 DHCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000733324412 1020370983 /nfs/dbraw/zinc/37/09/83/1020370983.db2.gz ACMNQMIWHBHYRS-MRXNPFEDSA-N 1 0 310.869 3.646 20 10 DHCDRO Cc1cc(C)cc(OCC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733325373 1020371942 /nfs/dbraw/zinc/37/19/42/1020371942.db2.gz KVLMDMIBFNCRAC-UHFFFAOYSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1ccc(OC[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733326085 1020372567 /nfs/dbraw/zinc/37/25/67/1020372567.db2.gz IDQGHFFMYZRAEK-HNNXBMFYSA-N 1 0 316.420 3.757 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000733325228 1020373786 /nfs/dbraw/zinc/37/37/86/1020373786.db2.gz FPNYNAXCXAZFCZ-MRXNPFEDSA-N 1 0 301.361 3.843 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000765819665 1020391734 /nfs/dbraw/zinc/39/17/34/1020391734.db2.gz VOHQHAMSAMMTMB-TYRIBLQHSA-N 1 0 305.393 3.627 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CC3(C)C)CC2)cc1 ZINC000785447136 1020404194 /nfs/dbraw/zinc/40/41/94/1020404194.db2.gz XPSVNKDFUPGFMI-KSSFIOAISA-N 1 0 302.462 3.688 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(C)cc1O ZINC000858452888 1032903025 /nfs/dbraw/zinc/90/30/25/1032903025.db2.gz HTAPNNBUQBNSAW-HKUYNNGSSA-N 1 0 311.425 3.883 20 10 DHCDRO COc1ccc(OCCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179883032 1020565030 /nfs/dbraw/zinc/56/50/30/1020565030.db2.gz GCIRFVGGKDRWMJ-AWEZNQCLSA-N 1 0 301.386 3.521 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000858490187 1032917977 /nfs/dbraw/zinc/91/79/77/1032917977.db2.gz CTVWVHZYGQTULU-BBRMVZONSA-N 1 0 310.869 3.818 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000163633515 1020612299 /nfs/dbraw/zinc/61/22/99/1020612299.db2.gz TXQJFHAQCLAZGQ-HNNXBMFYSA-N 1 0 316.470 3.992 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000858486871 1032914041 /nfs/dbraw/zinc/91/40/41/1032914041.db2.gz SUJUUPBTSVPHIS-SCLBCKFNSA-N 1 0 312.413 3.988 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735323522 1020719226 /nfs/dbraw/zinc/71/92/26/1020719226.db2.gz BNMBXEJHWUSWRQ-ZDUSSCGKSA-N 1 0 301.817 3.940 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738098968 1020860374 /nfs/dbraw/zinc/86/03/74/1020860374.db2.gz MMOOKSJMHFIEDJ-SFHVURJKSA-N 1 0 324.468 3.996 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000177999658 1020886309 /nfs/dbraw/zinc/88/63/09/1020886309.db2.gz PBRFRIDYYVLYFX-UHFFFAOYSA-N 1 0 301.434 3.770 20 10 DHCDRO Cc1ncsc1CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000738877658 1020898095 /nfs/dbraw/zinc/89/80/95/1020898095.db2.gz SSFCXCYNGQRQSF-UHFFFAOYSA-N 1 0 315.486 3.725 20 10 DHCDRO CC(C)[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766237781 1020899287 /nfs/dbraw/zinc/89/92/87/1020899287.db2.gz NBRKYGHLZSNRDQ-KBPBESRZSA-N 1 0 312.404 3.891 20 10 DHCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740007590 1020922906 /nfs/dbraw/zinc/92/29/06/1020922906.db2.gz UZJNPSPXZDAHMD-SFHVURJKSA-N 1 0 310.457 3.559 20 10 DHCDRO CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)N1CCCC1 ZINC000740000422 1020923029 /nfs/dbraw/zinc/92/30/29/1020923029.db2.gz CBTQAPITPKCSCE-QGZVFWFLSA-N 1 0 321.484 3.636 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000740005401 1020923597 /nfs/dbraw/zinc/92/35/97/1020923597.db2.gz BJENPSXVOOAVSD-AUUYWEPGSA-N 1 0 322.468 3.559 20 10 DHCDRO Cc1cc(CN2CC[C@H]([NH+](C)C)[C@H]2C)ccc1N1CCCCC1 ZINC001171942402 1032947002 /nfs/dbraw/zinc/94/70/02/1032947002.db2.gz IKHOENBYLOZJTQ-XLIONFOSSA-N 1 0 315.505 3.510 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000766274068 1021035827 /nfs/dbraw/zinc/03/58/27/1021035827.db2.gz SKOGRQWVUOSVNP-QZTJIDSGSA-N 1 0 315.505 3.812 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000741752953 1021048871 /nfs/dbraw/zinc/04/88/71/1021048871.db2.gz KJIHSWCUXKRFET-UHFFFAOYSA-N 1 0 316.420 3.922 20 10 DHCDRO CO[C@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000858584997 1032958131 /nfs/dbraw/zinc/95/81/31/1032958131.db2.gz ZJQMUXLQDSNNTL-LNLFQRSKSA-N 1 0 311.425 3.833 20 10 DHCDRO C[C@H]1CCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742386331 1021109428 /nfs/dbraw/zinc/10/94/28/1021109428.db2.gz ARTBKBXHCYPVHJ-INIZCTEOSA-N 1 0 310.441 3.633 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCCC2 ZINC000742390995 1021111371 /nfs/dbraw/zinc/11/13/71/1021111371.db2.gz YOHMQGNUAFLVGY-CVEARBPZSA-N 1 0 309.837 3.873 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000742372241 1021113351 /nfs/dbraw/zinc/11/33/51/1021113351.db2.gz KIMSLRCOCQCYHS-BEFAXECRSA-N 1 0 311.425 3.700 20 10 DHCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000176985205 1021191348 /nfs/dbraw/zinc/19/13/48/1021191348.db2.gz XLNNGUGNSPCUNI-STQMWFEESA-N 1 0 303.377 3.909 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000176983559 1021191692 /nfs/dbraw/zinc/19/16/92/1021191692.db2.gz MYCAJWVNMCDFSX-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000176983379 1021191840 /nfs/dbraw/zinc/19/18/40/1021191840.db2.gz GLSQLUMJYUDWPG-NEPJUHHUSA-N 1 0 317.360 3.714 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1 ZINC001202298997 1021207101 /nfs/dbraw/zinc/20/71/01/1021207101.db2.gz HQHADOMJLBHBPH-LJQANCHMSA-N 1 0 306.494 3.810 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3ccccc3n2)cc1 ZINC000917435465 1021264374 /nfs/dbraw/zinc/26/43/74/1021264374.db2.gz MMTZQFOOXNTVCH-UHFFFAOYSA-N 1 0 320.440 3.766 20 10 DHCDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000917454839 1021270799 /nfs/dbraw/zinc/27/07/99/1021270799.db2.gz OASQAAJZTDLZOX-UHFFFAOYSA-N 1 0 313.397 3.842 20 10 DHCDRO C[C@H]1C[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)S1 ZINC000743378261 1021284933 /nfs/dbraw/zinc/28/49/33/1021284933.db2.gz UXZSRULNLWAZQI-RYUDHWBXSA-N 1 0 309.475 3.721 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154484198 1021346243 /nfs/dbraw/zinc/34/62/43/1021346243.db2.gz CLPKFIRFMHSETI-KDOFPFPSSA-N 1 0 308.441 3.628 20 10 DHCDRO COc1cc(C[NH2+]CCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850007978 1021395635 /nfs/dbraw/zinc/39/56/35/1021395635.db2.gz RAIMFRHCMDINAP-UHFFFAOYSA-N 1 0 303.402 3.624 20 10 DHCDRO Cc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1O ZINC000182021766 1021433533 /nfs/dbraw/zinc/43/35/33/1021433533.db2.gz ZWZVAELURXESBM-UHFFFAOYSA-N 1 0 312.438 3.595 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295107 1021468200 /nfs/dbraw/zinc/46/82/00/1021468200.db2.gz RZTAEAYQVPTJGR-XHDPSFHLSA-N 1 0 309.475 3.539 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]C/C=C/c3ccccc3)C2)cc1 ZINC000850346344 1021481447 /nfs/dbraw/zinc/48/14/47/1021481447.db2.gz RZNZJHUPNRTDOY-MOTZXUDYSA-N 1 0 308.425 3.577 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)cc1 ZINC000850346343 1021481453 /nfs/dbraw/zinc/48/14/53/1021481453.db2.gz RZNZJHUPNRTDOY-KRZKXXONSA-N 1 0 308.425 3.577 20 10 DHCDRO CC[C@@H](COCC1CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850351649 1021483286 /nfs/dbraw/zinc/48/32/86/1021483286.db2.gz QPTVENPUQJDKNI-XFHJGTJQSA-N 1 0 302.462 3.561 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000850365872 1021490238 /nfs/dbraw/zinc/49/02/38/1021490238.db2.gz RYHKJBCXECGQFU-KRWDZBQOSA-N 1 0 319.351 3.573 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000850365710 1021490676 /nfs/dbraw/zinc/49/06/76/1021490676.db2.gz ZWPPGPDAPZDVGS-UHFFFAOYSA-N 1 0 301.361 3.671 20 10 DHCDRO C[C@@]1(CC[NH2+]Cc2cc(Br)ccc2O)CC1(F)F ZINC000850380286 1021499235 /nfs/dbraw/zinc/49/92/35/1021499235.db2.gz DLBYLQRVNABQQO-GFCCVEGCSA-N 1 0 320.177 3.680 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2cn(C)c3ccccc23)c1 ZINC000850380584 1021499547 /nfs/dbraw/zinc/49/95/47/1021499547.db2.gz XTZBNGBGUFJPCF-UHFFFAOYSA-N 1 0 324.424 3.615 20 10 DHCDRO CCSC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000850393798 1021504629 /nfs/dbraw/zinc/50/46/29/1021504629.db2.gz GSMAXSYGUBMQDI-UHFFFAOYSA-N 1 0 320.502 3.539 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)ccc1OC ZINC000850394222 1021507387 /nfs/dbraw/zinc/50/73/87/1021507387.db2.gz NIWTVBNQZQKOIJ-OAHLLOKOSA-N 1 0 313.388 3.613 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC(F)CC1 ZINC000850396135 1021507573 /nfs/dbraw/zinc/50/75/73/1021507573.db2.gz PZBBSTKCQIHPHB-ZLPCBKJTSA-N 1 0 320.452 3.530 20 10 DHCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405986 1021513914 /nfs/dbraw/zinc/51/39/14/1021513914.db2.gz NGASGZIXBWPHBG-AEFFLSMTSA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000850412463 1021518035 /nfs/dbraw/zinc/51/80/35/1021518035.db2.gz YMMCKFIZNZABFU-UGSOOPFHSA-N 1 0 319.832 3.608 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1O ZINC000125813826 1032986074 /nfs/dbraw/zinc/98/60/74/1032986074.db2.gz COADGSNDFXMKPL-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000125832157 1032988520 /nfs/dbraw/zinc/98/85/20/1032988520.db2.gz OGAQDCLQHUMQPH-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3CCCF)C2)cc1 ZINC000850489574 1021561082 /nfs/dbraw/zinc/56/10/82/1021561082.db2.gz YPHCURVPPNKPQO-JTDSTZFVSA-N 1 0 320.452 3.782 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3cccs3)C2)cc1 ZINC000850489633 1021561706 /nfs/dbraw/zinc/56/17/06/1021561706.db2.gz WDZPILASDDCKNF-HUUCEWRRSA-N 1 0 316.470 3.556 20 10 DHCDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850501753 1021563604 /nfs/dbraw/zinc/56/36/04/1021563604.db2.gz OZPIRCZSNUMDEV-CYBMUJFWSA-N 1 0 309.450 3.629 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000850505217 1021565276 /nfs/dbraw/zinc/56/52/76/1021565276.db2.gz PJKGYRVXMCZVRU-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccnc3ccccc23)c1O ZINC000850507665 1021565375 /nfs/dbraw/zinc/56/53/75/1021565375.db2.gz PFEAQSOWMWZQOY-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1O ZINC000850505063 1021565561 /nfs/dbraw/zinc/56/55/61/1021565561.db2.gz LZLFXKWLFSIIEE-IAQYHMDHSA-N 1 0 317.351 3.933 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850505731 1021566934 /nfs/dbraw/zinc/56/69/34/1021566934.db2.gz WSIPGPRIWNTUER-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc2ccccc2c1O ZINC000850520965 1021575476 /nfs/dbraw/zinc/57/54/76/1021575476.db2.gz KOCWSGLYXIGRNH-NHYWBVRUSA-N 1 0 307.340 3.620 20 10 DHCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000850520333 1021575552 /nfs/dbraw/zinc/57/55/52/1021575552.db2.gz ZZFLHCWZHMJXEA-PBHICJAKSA-N 1 0 324.415 3.752 20 10 DHCDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000850527203 1021579030 /nfs/dbraw/zinc/57/90/30/1021579030.db2.gz ZJQPSEMBVSHFEY-CZUORRHYSA-N 1 0 301.430 3.633 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H](c3ccccc3)CO1)CC2 ZINC000850532328 1021586494 /nfs/dbraw/zinc/58/64/94/1021586494.db2.gz SOFQWXMVYJBXPH-BZSNNMDCSA-N 1 0 309.409 3.542 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)c3ccccc23)c1 ZINC000850534690 1021587921 /nfs/dbraw/zinc/58/79/21/1021587921.db2.gz MVBDKPNZGIMXQP-CQSZACIVSA-N 1 0 324.424 3.786 20 10 DHCDRO Cn1cc(CC[NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000850533728 1021588647 /nfs/dbraw/zinc/58/86/47/1021588647.db2.gz BVFOUJRGZOVOFD-KRWDZBQOSA-N 1 0 306.409 3.704 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1 ZINC000850551380 1021600600 /nfs/dbraw/zinc/60/06/00/1021600600.db2.gz RIMOBZACKVIEOB-AWEZNQCLSA-N 1 0 313.445 3.861 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000850565145 1021609149 /nfs/dbraw/zinc/60/91/49/1021609149.db2.gz BIIQVDFINGCALS-AWEZNQCLSA-N 1 0 316.470 3.560 20 10 DHCDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565846 1021609212 /nfs/dbraw/zinc/60/92/12/1021609212.db2.gz IGWACHGDJJUIBC-WMZOPIPTSA-N 1 0 318.505 3.952 20 10 DHCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567312 1021611227 /nfs/dbraw/zinc/61/12/27/1021611227.db2.gz ZFSBEZCRPSIJNQ-INIZCTEOSA-N 1 0 304.478 3.562 20 10 DHCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000850567340 1021611300 /nfs/dbraw/zinc/61/13/00/1021611300.db2.gz AAECJFKRSFRYCD-GUXCAODWSA-N 1 0 316.489 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)C2CCCCC2)c1O ZINC000850570276 1021613031 /nfs/dbraw/zinc/61/30/31/1021613031.db2.gz SSSISSBRIDMXLI-CXAGYDPISA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Cl)ccc1O ZINC000850572113 1021615161 /nfs/dbraw/zinc/61/51/61/1021615161.db2.gz BEFCEKSKCMUNAD-GFCCVEGCSA-N 1 0 324.852 3.522 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573060 1021616838 /nfs/dbraw/zinc/61/68/38/1021616838.db2.gz TZWNQFLKYTVPOW-HZPDHXFCSA-N 1 0 312.461 3.822 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850585202 1021623899 /nfs/dbraw/zinc/62/38/99/1021623899.db2.gz WYPNYXCFUBYWPI-PRXAMGSTSA-N 1 0 305.805 3.818 20 10 DHCDRO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000850585748 1021623916 /nfs/dbraw/zinc/62/39/16/1021623916.db2.gz ZJGPXDCRMGKOTO-CYBMUJFWSA-N 1 0 322.880 3.818 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000918735343 1021637454 /nfs/dbraw/zinc/63/74/54/1021637454.db2.gz KGVSZZZRHCRODL-MRXNPFEDSA-N 1 0 305.462 3.999 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000293954479 1021698576 /nfs/dbraw/zinc/69/85/76/1021698576.db2.gz ZMVUKVDUKGIVRI-LYSIVYOWSA-N 1 0 323.436 3.976 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(F)c(C)c2)cc1F ZINC000892948113 1021721287 /nfs/dbraw/zinc/72/12/87/1021721287.db2.gz MYBBIPQDBBEAJP-UHFFFAOYSA-N 1 0 319.399 3.804 20 10 DHCDRO CC(C)(C)OCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761030 1021744639 /nfs/dbraw/zinc/74/46/39/1021744639.db2.gz SUIVGUJEDHDWHJ-UHFFFAOYSA-N 1 0 303.402 3.803 20 10 DHCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccccc1O ZINC000109772543 1021746664 /nfs/dbraw/zinc/74/66/64/1021746664.db2.gz PSEYZDZTLHQUNL-UHFFFAOYSA-N 1 0 306.203 3.787 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000119650689 1021803555 /nfs/dbraw/zinc/80/35/55/1021803555.db2.gz SOUWGWIZSNYXTK-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO CCC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000746038299 1021827825 /nfs/dbraw/zinc/82/78/25/1021827825.db2.gz NRNDRWHSSXCXJM-UHFFFAOYSA-N 1 0 317.360 3.672 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000746154125 1021876062 /nfs/dbraw/zinc/87/60/62/1021876062.db2.gz YXUNLJJOEHUXLP-LJQANCHMSA-N 1 0 302.462 3.676 20 10 DHCDRO CO[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000851716764 1021973445 /nfs/dbraw/zinc/97/34/45/1021973445.db2.gz QTZHRLYEYXVTRD-MOPGFXCFSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC001202483924 1021986966 /nfs/dbraw/zinc/98/69/66/1021986966.db2.gz XBZSZVBJTBJHOT-INIZCTEOSA-N 1 0 312.457 3.926 20 10 DHCDRO CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N(C)C)cc1 ZINC000766367931 1022078800 /nfs/dbraw/zinc/07/88/00/1022078800.db2.gz FGEXCAMDMBVUGW-SFHVURJKSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1ccc(N(C)C)cc1 ZINC000766494187 1022126853 /nfs/dbraw/zinc/12/68/53/1022126853.db2.gz JQFULXOWXISGPY-XUJQIHCRSA-N 1 0 304.478 3.999 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)CC(F)(F)F)ccc1OC ZINC000766480482 1022128441 /nfs/dbraw/zinc/12/84/41/1022128441.db2.gz WFQAKQCZDSBSAM-NSHDSACASA-N 1 0 305.340 3.662 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2sccc2C1 ZINC000183455790 1022147263 /nfs/dbraw/zinc/14/72/63/1022147263.db2.gz QTUNFNUWTZLSSZ-KBPBESRZSA-N 1 0 316.470 3.551 20 10 DHCDRO CCC[N@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC000110735874 1022150277 /nfs/dbraw/zinc/15/02/77/1022150277.db2.gz SWBOWWWHZXSHCB-UHFFFAOYSA-N 1 0 315.413 3.692 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239126 1022238946 /nfs/dbraw/zinc/23/89/46/1022238946.db2.gz AKDOHSUEZDQAOY-ZFWWWQNUSA-N 1 0 322.880 3.818 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(F)ccc1O ZINC000853240552 1022242763 /nfs/dbraw/zinc/24/27/63/1022242763.db2.gz HVLRQNWUEZTIEA-SECBINFHSA-N 1 0 314.282 3.796 20 10 DHCDRO Cc1ccc(-c2cc(C[N@@H+](C)Cc3ccccc3O)on2)cc1 ZINC000111236209 1022253347 /nfs/dbraw/zinc/25/33/47/1022253347.db2.gz VYRDWSKVBQXDMK-UHFFFAOYSA-N 1 0 308.381 3.988 20 10 DHCDRO Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000111245083 1022261906 /nfs/dbraw/zinc/26/19/06/1022261906.db2.gz MWEIMTZIEXMTAU-UHFFFAOYSA-N 1 0 313.445 3.687 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000853628873 1022301445 /nfs/dbraw/zinc/30/14/45/1022301445.db2.gz DTUYQBAJBAKGTB-CQSZACIVSA-N 1 0 313.397 3.665 20 10 DHCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853630176 1022301952 /nfs/dbraw/zinc/30/19/52/1022301952.db2.gz DCJHGVXJQDUIIS-CQSZACIVSA-N 1 0 320.392 3.896 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccccc1O ZINC000183444236 1022346402 /nfs/dbraw/zinc/34/64/02/1022346402.db2.gz PUGIAUFMCRSUNA-NWDGAFQWSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237605392 1022462002 /nfs/dbraw/zinc/46/20/02/1022462002.db2.gz DJNZEGCHBNOXHH-MSOLQXFVSA-N 1 0 324.468 3.978 20 10 DHCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179573356 1022469031 /nfs/dbraw/zinc/46/90/31/1022469031.db2.gz BUTSHQBQXOJHAN-FXAWDEMLSA-N 1 0 324.468 3.877 20 10 DHCDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185228291 1022469270 /nfs/dbraw/zinc/46/92/70/1022469270.db2.gz XVMRLGLVQARBMC-CZUORRHYSA-N 1 0 320.408 3.858 20 10 DHCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000237635592 1022473349 /nfs/dbraw/zinc/47/33/49/1022473349.db2.gz FCORJUBPUXBSKT-OAQYLSRUSA-N 1 0 324.468 3.674 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185578420 1022502790 /nfs/dbraw/zinc/50/27/90/1022502790.db2.gz JVWVIYZNTHRYAW-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1C ZINC000185635193 1022509168 /nfs/dbraw/zinc/50/91/68/1022509168.db2.gz RJQQYIPMXPPMIU-UHFFFAOYSA-N 1 0 323.440 3.921 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)c1 ZINC000185743404 1022518937 /nfs/dbraw/zinc/51/89/37/1022518937.db2.gz MFJUEZNQSVBJMC-SJKOYZFVSA-N 1 0 313.397 3.748 20 10 DHCDRO COC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000112961875 1022572682 /nfs/dbraw/zinc/57/26/82/1022572682.db2.gz UUHIEPGSANXURH-OAHLLOKOSA-N 1 0 305.462 3.857 20 10 DHCDRO Oc1ccc(F)cc1CN(Cc1ccco1)Cc1ccco1 ZINC000179886719 1022572999 /nfs/dbraw/zinc/57/29/99/1022572999.db2.gz OASNAWUCNUWRDR-UHFFFAOYSA-N 1 0 301.317 3.920 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cc(F)ccc2O)ccc1SC ZINC000180014162 1022614600 /nfs/dbraw/zinc/61/46/00/1022614600.db2.gz VNPJTELROTXBHA-UHFFFAOYSA-N 1 0 321.417 3.894 20 10 DHCDRO Cc1cccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1O ZINC000180064392 1022629278 /nfs/dbraw/zinc/62/92/78/1022629278.db2.gz JOLBPDHQJHTWPC-UHFFFAOYSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1OC ZINC000180234878 1022668684 /nfs/dbraw/zinc/66/86/84/1022668684.db2.gz NKECJRYOZVQJFS-NFAWXSAZSA-N 1 0 305.418 3.562 20 10 DHCDRO Cc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1O ZINC000180243173 1022674087 /nfs/dbraw/zinc/67/40/87/1022674087.db2.gz DWYJICUHKCHPKA-IBGZPJMESA-N 1 0 311.425 3.573 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000691441442 1022693808 /nfs/dbraw/zinc/69/38/08/1022693808.db2.gz WXBSXRHVTGHFQM-LBPRGKRZSA-N 1 0 316.264 3.530 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCCS1 ZINC000691441441 1022694368 /nfs/dbraw/zinc/69/43/68/1022694368.db2.gz WXBSXRHVTGHFQM-GFCCVEGCSA-N 1 0 316.264 3.530 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000367439385 1022704312 /nfs/dbraw/zinc/70/43/12/1022704312.db2.gz UFNWLGFZIAKBTG-SFHVURJKSA-N 1 0 312.461 3.526 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1O ZINC000180396245 1022718347 /nfs/dbraw/zinc/71/83/47/1022718347.db2.gz XVJGFOMCFXYUBV-KDOFPFPSSA-N 1 0 315.388 3.802 20 10 DHCDRO CCC[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC000068973652 1022823176 /nfs/dbraw/zinc/82/31/76/1022823176.db2.gz BITWFBZXMKRDLJ-UHFFFAOYSA-N 1 0 309.413 3.761 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(F)F)nc2)cc1 ZINC000876511483 1033083993 /nfs/dbraw/zinc/08/39/93/1033083993.db2.gz JXBADQJZULKEQV-UHFFFAOYSA-N 1 0 305.372 3.717 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCSCC1 ZINC000876532047 1033084742 /nfs/dbraw/zinc/08/47/42/1033084742.db2.gz XJEFQYKLXYWUFM-KRWDZBQOSA-N 1 0 321.486 3.516 20 10 DHCDRO CC(C)[N@@H+]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768136794 1022901848 /nfs/dbraw/zinc/90/18/48/1022901848.db2.gz 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ZINC000768215065 1022927205 /nfs/dbraw/zinc/92/72/05/1022927205.db2.gz WJBSDIUKTUZMSF-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO COc1cccc(C[N@H+](C)CCOc2ccccc2Cl)c1O ZINC000768213277 1022927986 /nfs/dbraw/zinc/92/79/86/1022927986.db2.gz PORGVPBTAMGYJF-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000768257547 1022932110 /nfs/dbraw/zinc/93/21/10/1022932110.db2.gz LWWNKMOCFPWNJE-UHFFFAOYSA-N 1 0 324.424 3.646 20 10 DHCDRO COc1cccc(C[N@H+](Cc2cccc(F)c2)C(C)C)c1O ZINC000768330562 1022948742 /nfs/dbraw/zinc/94/87/42/1022948742.db2.gz WKTWYAURIYZBFU-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000876554306 1033089756 /nfs/dbraw/zinc/08/97/56/1033089756.db2.gz JMWDCCZMJPVDGN-UHFFFAOYSA-N 1 0 311.425 3.882 20 10 DHCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)no1 ZINC000768442406 1022967654 /nfs/dbraw/zinc/96/76/54/1022967654.db2.gz UWSRTGKWXBWJMB-SFHVURJKSA-N 1 0 312.413 3.905 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CC(C)(C)C)cc1OC ZINC000768446474 1022968280 /nfs/dbraw/zinc/96/82/80/1022968280.db2.gz YBAUGSLTNMETBD-AWEZNQCLSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2F)c(O)cc1C ZINC000768440882 1022968985 /nfs/dbraw/zinc/96/89/85/1022968985.db2.gz HJDCUWXJPBCFHJ-UHFFFAOYSA-N 1 0 307.340 3.619 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CCC(C)C)cc1OC ZINC000768463419 1022972318 /nfs/dbraw/zinc/97/23/18/1022972318.db2.gz SRBNMZFOEGDFMU-HNNXBMFYSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c(O)cc1C ZINC000768465276 1022972656 /nfs/dbraw/zinc/97/26/56/1022972656.db2.gz FGNMEQJTUILWOZ-MRXNPFEDSA-N 1 0 301.361 3.795 20 10 DHCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1 ZINC000768465368 1022972734 /nfs/dbraw/zinc/97/27/34/1022972734.db2.gz HJTARZOGVHTBBI-LSDHHAIUSA-N 1 0 309.475 3.815 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCOC1 ZINC000768520567 1022979554 /nfs/dbraw/zinc/97/95/54/1022979554.db2.gz BZDGKSISTRJASS-GOSISDBHSA-N 1 0 302.462 3.535 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1OC(F)F)CC2 ZINC000296101379 1023004776 /nfs/dbraw/zinc/00/47/76/1023004776.db2.gz UJEBAPFBYFQIBH-ZDUSSCGKSA-N 1 0 305.324 3.771 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cccc3cccnc31)CC2 ZINC000296129441 1023005016 /nfs/dbraw/zinc/00/50/16/1023005016.db2.gz VRUXOYJLZCJIFT-KRWDZBQOSA-N 1 0 304.393 3.760 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000123425558 1023036862 /nfs/dbraw/zinc/03/68/62/1023036862.db2.gz IKZLLICGPZXHBV-JTDSTZFVSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)c(O)c1 ZINC000768902423 1023052190 /nfs/dbraw/zinc/05/21/90/1023052190.db2.gz CAFHZGARXASYRO-UHFFFAOYSA-N 1 0 321.461 3.818 20 10 DHCDRO CCOc1cccc(C[N@H+](Cc2ccccn2)C(C)C)c1O ZINC000768926937 1023058038 /nfs/dbraw/zinc/05/80/38/1023058038.db2.gz UDFWNYMREXVPEO-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO CCOc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c(O)c1 ZINC000768919990 1023058317 /nfs/dbraw/zinc/05/83/17/1023058317.db2.gz CWMXDAMHOUGYEJ-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](SC)C2)c1 ZINC000756589262 1023087450 /nfs/dbraw/zinc/08/74/50/1023087450.db2.gz LDPKMTXIPYDSKC-IACUBPJLSA-N 1 0 323.458 3.504 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccccc1C(=O)OC ZINC000769200646 1023101746 /nfs/dbraw/zinc/10/17/46/1023101746.db2.gz FUKKVLNNQXZTCV-UHFFFAOYSA-N 1 0 313.397 3.591 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000769244760 1023107984 /nfs/dbraw/zinc/10/79/84/1023107984.db2.gz ORGZKVYQURJIIV-ICSRJNTNSA-N 1 0 311.425 3.789 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1 ZINC000184778716 1023115832 /nfs/dbraw/zinc/11/58/32/1023115832.db2.gz PZBBKPKMIJVHHO-UHFFFAOYSA-N 1 0 320.440 3.727 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000769330515 1023124536 /nfs/dbraw/zinc/12/45/36/1023124536.db2.gz OPPXUXVKIGPMHA-FQEVSTJZSA-N 1 0 315.505 3.593 20 10 DHCDRO COc1cc(Cl)c(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000876615646 1033107362 /nfs/dbraw/zinc/10/73/62/1033107362.db2.gz JYFLOCRLQQDWSW-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC000769381035 1023135460 /nfs/dbraw/zinc/13/54/60/1023135460.db2.gz ZWAUJFYMQXUDAQ-CQSZACIVSA-N 1 0 315.388 3.920 20 10 DHCDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769402603 1023141271 /nfs/dbraw/zinc/14/12/71/1023141271.db2.gz MTFYRGZSELZHFS-KRWDZBQOSA-N 1 0 320.452 3.530 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1)c1cc(Br)ccc1O ZINC000020140968 1023143232 /nfs/dbraw/zinc/14/32/32/1023143232.db2.gz XLHHLINCMLZWDP-CQSZACIVSA-N 1 0 321.218 3.791 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000769426693 1023146833 /nfs/dbraw/zinc/14/68/33/1023146833.db2.gz VXHXZLGSMQGVFO-UHFFFAOYSA-N 1 0 300.450 3.668 20 10 DHCDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000194044061 1023149852 /nfs/dbraw/zinc/14/98/52/1023149852.db2.gz BVNCBADEBBDLPS-CQSZACIVSA-N 1 0 312.404 3.957 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000769447597 1023156499 /nfs/dbraw/zinc/15/64/99/1023156499.db2.gz YOBPFWIPCAHIAD-FQEVSTJZSA-N 1 0 310.441 3.635 20 10 DHCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000769499818 1023168602 /nfs/dbraw/zinc/16/86/02/1023168602.db2.gz WCZGISHTWAISBU-HXUWFJFHSA-N 1 0 312.457 3.526 20 10 DHCDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(N(C)C)c(F)c1 ZINC000769518132 1023172205 /nfs/dbraw/zinc/17/22/05/1023172205.db2.gz VJBPOZXKZWXUJR-UHFFFAOYSA-N 1 0 321.465 3.801 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc1F ZINC000769538080 1023175450 /nfs/dbraw/zinc/17/54/50/1023175450.db2.gz RGGFTNWLOGNVJF-IBGZPJMESA-N 1 0 315.436 3.957 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1O ZINC000756609933 1023178585 /nfs/dbraw/zinc/17/85/85/1023178585.db2.gz OQBJIJPGXRAWIJ-LLVKDONJSA-N 1 0 320.776 3.847 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCO[C@H]2CCCCO2)cc1 ZINC000769695480 1023195508 /nfs/dbraw/zinc/19/55/08/1023195508.db2.gz GHJUTUCSQCSUBR-IBGZPJMESA-N 1 0 320.477 3.508 20 10 DHCDRO CCn1nc(C[NH2+]Cc2ccc(N(C)C)cc2C)c2ccccc21 ZINC000769915026 1023232478 /nfs/dbraw/zinc/23/24/78/1023232478.db2.gz UYCPTRNSOWXLFY-UHFFFAOYSA-N 1 0 322.456 3.720 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286006 1023291586 /nfs/dbraw/zinc/29/15/86/1023291586.db2.gz NLTRIMPAFZFVSY-ICSRJNTNSA-N 1 0 314.473 3.678 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000770510674 1023316701 /nfs/dbraw/zinc/31/67/01/1023316701.db2.gz PHRLTXXVOLHURJ-UHFFFAOYSA-N 1 0 318.214 3.713 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000771170862 1023406217 /nfs/dbraw/zinc/40/62/17/1023406217.db2.gz LSIRXHKABAHKMN-UHFFFAOYSA-N 1 0 308.356 3.638 20 10 DHCDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876743585 1033131735 /nfs/dbraw/zinc/13/17/35/1033131735.db2.gz JHNURRUZYHZGKW-FQEVSTJZSA-N 1 0 316.489 3.660 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000771839106 1023474552 /nfs/dbraw/zinc/47/45/52/1023474552.db2.gz GCJJSSOGBBTJQS-SFHVURJKSA-N 1 0 310.441 3.535 20 10 DHCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000771889569 1023481683 /nfs/dbraw/zinc/48/16/83/1023481683.db2.gz UJUABEJHGJRHEU-HKUYNNGSSA-N 1 0 302.462 3.580 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C[C@@H]1C ZINC001172367581 1033146665 /nfs/dbraw/zinc/14/66/65/1033146665.db2.gz GRQVRGBHXYSNJV-JTDSTZFVSA-N 1 0 316.489 3.771 20 10 DHCDRO c1cn(CCC[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc12 ZINC000236722819 1023577887 /nfs/dbraw/zinc/57/78/87/1023577887.db2.gz VPDKPROGDUCFQH-UHFFFAOYSA-N 1 0 306.409 3.756 20 10 DHCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000785554269 1023590004 /nfs/dbraw/zinc/59/00/04/1023590004.db2.gz PEOXSVMPDKIDGI-DOTOQJQBSA-N 1 0 320.452 3.721 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000785989144 1023649004 /nfs/dbraw/zinc/64/90/04/1023649004.db2.gz SLBPSCLALBXXLL-VQIMIIECSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1C ZINC000786581328 1023708900 /nfs/dbraw/zinc/70/89/00/1023708900.db2.gz HNSYPOPEHYCZMC-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1ncc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000756762863 1023739472 /nfs/dbraw/zinc/73/94/72/1023739472.db2.gz WFQACAKFEWPHOT-NOZJJQNGSA-N 1 0 306.406 3.677 20 10 DHCDRO Cc1cccc(O)c1CNc1cccc(OCCC[NH+](C)C)c1 ZINC000876860918 1033168683 /nfs/dbraw/zinc/16/86/83/1033168683.db2.gz NCAGSKZODZYKEI-UHFFFAOYSA-N 1 0 314.429 3.643 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC000788536831 1023901231 /nfs/dbraw/zinc/90/12/31/1023901231.db2.gz HRLZPUHYBPLLKK-PMACEKPBSA-N 1 0 313.441 3.857 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000788544184 1023903264 /nfs/dbraw/zinc/90/32/64/1023903264.db2.gz CZGPYFRCKDOGOR-HXUWFJFHSA-N 1 0 310.441 3.894 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN(C)C2CCCCC2)c(O)c1 ZINC000788562200 1023905312 /nfs/dbraw/zinc/90/53/12/1023905312.db2.gz GFYUWVPHERAZRC-INIZCTEOSA-N 1 0 304.478 3.924 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000788535213 1023906658 /nfs/dbraw/zinc/90/66/58/1023906658.db2.gz CWODEOAMYKQVIX-VQTJNVASSA-N 1 0 312.457 3.600 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c(O)c1 ZINC000788528240 1023906669 /nfs/dbraw/zinc/90/66/69/1023906669.db2.gz QHZLSINQFFXONI-ULQDDVLXSA-N 1 0 304.478 3.923 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4ccc(O)cc43)ccc21 ZINC000788584746 1023910300 /nfs/dbraw/zinc/91/03/00/1023910300.db2.gz QAOJDYAGERKGJF-FQEVSTJZSA-N 1 0 322.452 3.942 20 10 DHCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000788594332 1023910457 /nfs/dbraw/zinc/91/04/57/1023910457.db2.gz VELPNHGOEIYOQH-INIZCTEOSA-N 1 0 304.478 3.826 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CCO)CCCCC2)c(O)c1 ZINC000788629448 1023916737 /nfs/dbraw/zinc/91/67/37/1023916737.db2.gz VAQXDQLVRBBGBL-INIZCTEOSA-N 1 0 305.462 3.993 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c(O)c1 ZINC000788630019 1023916940 /nfs/dbraw/zinc/91/69/40/1023916940.db2.gz DRJQUJNPTBTFFB-KKUMJFAQSA-N 1 0 303.402 3.765 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000788989017 1023961147 /nfs/dbraw/zinc/96/11/47/1023961147.db2.gz TVZPSUAWCLQJPJ-QFBILLFUSA-N 1 0 314.473 3.897 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1OC(F)F ZINC000876917255 1033184765 /nfs/dbraw/zinc/18/47/65/1033184765.db2.gz PPBULXITHVHDGD-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000789590004 1024122517 /nfs/dbraw/zinc/12/25/17/1024122517.db2.gz OWAZNHCJOXNBAZ-HNNXBMFYSA-N 1 0 314.404 3.550 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268784828 1024160593 /nfs/dbraw/zinc/16/05/93/1024160593.db2.gz BXVMEXXEWGAWAJ-MRXNPFEDSA-N 1 0 314.458 3.703 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000130472931 1024170051 /nfs/dbraw/zinc/17/00/51/1024170051.db2.gz AVYDFEYZKUSLDA-CRAIPNDOSA-N 1 0 316.445 3.728 20 10 DHCDRO C[C@H](c1ccco1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131022132 1024248436 /nfs/dbraw/zinc/24/84/36/1024248436.db2.gz KZRUBLAAGLUGAG-SNVBAGLBSA-N 1 0 310.191 3.941 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790499499 1024314736 /nfs/dbraw/zinc/31/47/36/1024314736.db2.gz XJWYOZLQAOKSLQ-MAUKXSAKSA-N 1 0 303.494 3.524 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC000790601858 1024334411 /nfs/dbraw/zinc/33/44/11/1024334411.db2.gz PYFQMOXOKHSAAE-UHFFFAOYSA-N 1 0 322.456 3.734 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000270267663 1024372611 /nfs/dbraw/zinc/37/26/11/1024372611.db2.gz XDTXVAOCYAPYCZ-OAHLLOKOSA-N 1 0 300.450 3.887 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000883331288 1024386428 /nfs/dbraw/zinc/38/64/28/1024386428.db2.gz VPCDEOXIEGAXAS-BBRMVZONSA-N 1 0 313.397 3.965 20 10 DHCDRO C[NH+](C)CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000790966512 1024409458 /nfs/dbraw/zinc/40/94/58/1024409458.db2.gz VHLBJXYHMMDRKA-AWEZNQCLSA-N 1 0 316.848 3.641 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883383299 1024418109 /nfs/dbraw/zinc/41/81/09/1024418109.db2.gz WMVZAGVPXNBWSC-WMZOPIPTSA-N 1 0 315.388 3.906 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000271439958 1024507050 /nfs/dbraw/zinc/50/70/50/1024507050.db2.gz FARHHCLJHKZEMG-YXJHDRRASA-N 1 0 304.478 3.997 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443300 1024507653 /nfs/dbraw/zinc/50/76/53/1024507653.db2.gz GVDLWOUNTKXBLE-MOPGFXCFSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000271495422 1024521870 /nfs/dbraw/zinc/52/18/70/1024521870.db2.gz LCCSZFIPLONJBM-NVXWUHKLSA-N 1 0 302.462 3.895 20 10 DHCDRO CN(C)C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000282844968 1024552919 /nfs/dbraw/zinc/55/29/19/1024552919.db2.gz CXFKSUBIKNLHCK-MRXNPFEDSA-N 1 0 322.811 3.577 20 10 DHCDRO Cc1ccc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000877064072 1033222432 /nfs/dbraw/zinc/22/24/32/1033222432.db2.gz MBLAIEADKRTSEK-UHFFFAOYSA-N 1 0 316.348 3.508 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001202619198 1024624204 /nfs/dbraw/zinc/62/42/04/1024624204.db2.gz PZXIKMAWMLJQRX-GOSISDBHSA-N 1 0 317.521 3.887 20 10 DHCDRO CCc1ccc([C@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)cc1 ZINC000792191389 1024646034 /nfs/dbraw/zinc/64/60/34/1024646034.db2.gz ZNAYRFFCXCAOFF-HXUWFJFHSA-N 1 0 311.425 3.837 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000282870132 1024654811 /nfs/dbraw/zinc/65/48/11/1024654811.db2.gz VDKBPEGBGKWKCQ-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689884966 1024696524 /nfs/dbraw/zinc/69/65/24/1024696524.db2.gz YEXPAWWJPFGTBO-NSHDSACASA-N 1 0 316.214 3.726 20 10 DHCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(C)c1O ZINC001170420789 1024793709 /nfs/dbraw/zinc/79/37/09/1024793709.db2.gz MAPPMZOIAREUMI-MRXNPFEDSA-N 1 0 313.397 3.540 20 10 DHCDRO COCCCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792944887 1024833602 /nfs/dbraw/zinc/83/36/02/1024833602.db2.gz GWBHHGNVBVHCEZ-UHFFFAOYSA-N 1 0 318.383 3.678 20 10 DHCDRO C[C@H]1COCCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000772822691 1024838172 /nfs/dbraw/zinc/83/81/72/1024838172.db2.gz INKSTJICSJGXIB-ZDUSSCGKSA-N 1 0 315.413 3.628 20 10 DHCDRO c1cc2c(cc1CN[C@H]1CC[N@@H+](C3CCCCC3)C1)CCCO2 ZINC001203181282 1033240632 /nfs/dbraw/zinc/24/06/32/1033240632.db2.gz SIFPMLZOCKHZLG-SFHVURJKSA-N 1 0 314.473 3.508 20 10 DHCDRO CS[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793021156 1024869471 /nfs/dbraw/zinc/86/94/71/1024869471.db2.gz MJBBYKUSDUELOC-JTQLQIEISA-N 1 0 306.397 3.613 20 10 DHCDRO CS[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793021158 1024870408 /nfs/dbraw/zinc/87/04/08/1024870408.db2.gz MJBBYKUSDUELOC-SNVBAGLBSA-N 1 0 306.397 3.613 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccnc2)c(C(F)(F)F)c1 ZINC000793062269 1024874017 /nfs/dbraw/zinc/87/40/17/1024874017.db2.gz QARHALIXSRVLQA-UHFFFAOYSA-N 1 0 323.362 3.798 20 10 DHCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000793216382 1024938219 /nfs/dbraw/zinc/93/82/19/1024938219.db2.gz FLRUNDTVFOOFER-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000236844561 1024950679 /nfs/dbraw/zinc/95/06/79/1024950679.db2.gz GAUGBPNGTRYHRI-IBGZPJMESA-N 1 0 312.457 3.873 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000793235291 1024952867 /nfs/dbraw/zinc/95/28/67/1024952867.db2.gz FREIZOXKHOLWBV-PMACEKPBSA-N 1 0 312.457 3.745 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1cc2ccccc2nc1OC ZINC001137206946 1024984743 /nfs/dbraw/zinc/98/47/43/1024984743.db2.gz RYPHJRPSQVRSGG-UHFFFAOYSA-N 1 0 322.408 3.971 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000120217109 1025018818 /nfs/dbraw/zinc/01/88/18/1025018818.db2.gz WEEATMKBKVLKNU-CZUORRHYSA-N 1 0 303.446 3.879 20 10 DHCDRO COc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)c(O)c1 ZINC000793387151 1025028100 /nfs/dbraw/zinc/02/81/00/1025028100.db2.gz AAANYSFWFRHQRQ-UHFFFAOYSA-N 1 0 323.795 3.916 20 10 DHCDRO CCSc1cccc(C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793389428 1025032356 /nfs/dbraw/zinc/03/23/56/1025032356.db2.gz YENBHSQCRJSAQI-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(C)c2C)cc1OC ZINC000793542769 1025085778 /nfs/dbraw/zinc/08/57/78/1025085778.db2.gz LGQCGDQIRRNRSZ-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000279624969 1025109200 /nfs/dbraw/zinc/10/92/00/1025109200.db2.gz BFNPMQNWXGIVGV-UHFFFAOYSA-N 1 0 321.424 3.887 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000793609661 1025129567 /nfs/dbraw/zinc/12/95/67/1025129567.db2.gz QYFIXSSLUXFPAN-MOPGFXCFSA-N 1 0 320.452 3.815 20 10 DHCDRO COc1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000793619525 1025134177 /nfs/dbraw/zinc/13/41/77/1025134177.db2.gz GMXRUMTZIHUSOK-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)c(O)c1 ZINC000877166959 1033263708 /nfs/dbraw/zinc/26/37/08/1033263708.db2.gz JMSHLVAASSQMIZ-INIZCTEOSA-N 1 0 301.361 3.843 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1O ZINC000279787004 1025264125 /nfs/dbraw/zinc/26/41/25/1025264125.db2.gz LYNVYIXIOJDQKO-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000108091153 1025325756 /nfs/dbraw/zinc/32/57/56/1025325756.db2.gz FDPPMTJVFPSLRK-UHFFFAOYSA-N 1 0 302.462 3.788 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000897459164 1025354793 /nfs/dbraw/zinc/35/47/93/1025354793.db2.gz IVFKBJCCCNHULV-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178605787 1025413717 /nfs/dbraw/zinc/41/37/17/1025413717.db2.gz FIADMIWYMVGYEH-KKUMJFAQSA-N 1 0 308.441 3.748 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336919 1033285692 /nfs/dbraw/zinc/28/56/92/1033285692.db2.gz QCONKIUQJYWBKG-VQIMIIECSA-N 1 0 315.388 3.850 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCOC2(CCC2)C1 ZINC000886342821 1025596345 /nfs/dbraw/zinc/59/63/45/1025596345.db2.gz KIRNUDLPFLYPFQ-MRXNPFEDSA-N 1 0 309.837 3.875 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1c([O-])cccc1F ZINC000886490060 1025649671 /nfs/dbraw/zinc/64/96/71/1025649671.db2.gz YMDFTIMDBZAAAP-AAEUAGOBSA-N 1 0 308.422 3.546 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000236923194 1025743723 /nfs/dbraw/zinc/74/37/23/1025743723.db2.gz KRUUCFVCIRQDNG-FQEVSTJZSA-N 1 0 312.457 3.530 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000886627156 1025746240 /nfs/dbraw/zinc/74/62/40/1025746240.db2.gz UZEFABHMCVRJCV-BEFAXECRSA-N 1 0 309.457 3.664 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1 ZINC000236937280 1025782571 /nfs/dbraw/zinc/78/25/71/1025782571.db2.gz RJPFDMQDRYLTCU-HXUWFJFHSA-N 1 0 312.457 3.530 20 10 DHCDRO CCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000806128300 1025792760 /nfs/dbraw/zinc/79/27/60/1025792760.db2.gz QQRQVOMBESSYDE-INIZCTEOSA-N 1 0 310.869 3.961 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000247110948 1025860043 /nfs/dbraw/zinc/86/00/43/1025860043.db2.gz PEHPJAYLFXGASB-ZHALLVOQSA-N 1 0 316.489 3.879 20 10 DHCDRO CCN(CC)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681602 1025929097 /nfs/dbraw/zinc/92/90/97/1025929097.db2.gz FGPGVOKIPPLXKP-INIZCTEOSA-N 1 0 312.457 3.879 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC000236987671 1026007558 /nfs/dbraw/zinc/00/75/58/1026007558.db2.gz QOBPNCDUKFYTAM-ROUUACIJSA-N 1 0 302.462 3.580 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1O ZINC000841746330 1026031940 /nfs/dbraw/zinc/03/19/40/1026031940.db2.gz DQGWVDIHGJBHIB-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764544461 1026092872 /nfs/dbraw/zinc/09/28/72/1026092872.db2.gz ZQGAEADFNNQJJZ-INIZCTEOSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289703532 1026139424 /nfs/dbraw/zinc/13/94/24/1026139424.db2.gz IULPBRJCEWWJHJ-QAPCUYQASA-N 1 0 317.454 3.983 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000245717939 1026160206 /nfs/dbraw/zinc/16/02/06/1026160206.db2.gz HJIQAJRQSCZMRF-SUMWQHHRSA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000289793629 1026176815 /nfs/dbraw/zinc/17/68/15/1026176815.db2.gz MESYFOQPXGRHAC-CQSZACIVSA-N 1 0 318.804 3.622 20 10 DHCDRO CN(C)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000808425437 1026273969 /nfs/dbraw/zinc/27/39/69/1026273969.db2.gz FKSWBUQQSFRTBR-INIZCTEOSA-N 1 0 322.811 3.577 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C ZINC000808437275 1026286614 /nfs/dbraw/zinc/28/66/14/1026286614.db2.gz KMPWSZVNVYIUPR-YLJYHZDGSA-N 1 0 324.468 3.762 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808453683 1026292874 /nfs/dbraw/zinc/29/28/74/1026292874.db2.gz JLJNIMYQKHTOSV-GOSISDBHSA-N 1 0 318.848 3.883 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1 ZINC000237072081 1026295339 /nfs/dbraw/zinc/29/53/39/1026295339.db2.gz OQUUFWKEJVKECQ-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1O ZINC000808679871 1026346808 /nfs/dbraw/zinc/34/68/08/1026346808.db2.gz CNTHUDWMHOERKM-ZTFRIQLXSA-N 1 0 317.816 3.663 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000894203997 1026347300 /nfs/dbraw/zinc/34/73/00/1026347300.db2.gz GYSJVGBXCFSJSY-INIZCTEOSA-N 1 0 301.361 3.625 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2CO)c1O ZINC000808680162 1026348407 /nfs/dbraw/zinc/34/84/07/1026348407.db2.gz ITLVRVXFGBMTJO-GFCCVEGCSA-N 1 0 305.805 3.697 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1O ZINC000808692763 1026348915 /nfs/dbraw/zinc/34/89/15/1026348915.db2.gz ZOZOTISERWYJRN-LLVKDONJSA-N 1 0 321.804 3.919 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808693105 1026349272 /nfs/dbraw/zinc/34/92/72/1026349272.db2.gz WCABVSIUFFWORL-MNOVXSKESA-N 1 0 307.825 3.808 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1O ZINC000808692934 1026349401 /nfs/dbraw/zinc/34/94/01/1026349401.db2.gz XBUPNBJCXASGDS-BLLLJJGKSA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cn3ccccc3n2)c1O ZINC000808672444 1026353109 /nfs/dbraw/zinc/35/31/09/1026353109.db2.gz OARWYOPUYGKWEH-GFCCVEGCSA-N 1 0 315.804 3.853 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N(C)C)CCCC2)c1O ZINC000808672622 1026354022 /nfs/dbraw/zinc/35/40/22/1026354022.db2.gz CSXPZVJDWPNWLV-ZDUSSCGKSA-N 1 0 310.869 3.879 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)N1CCCC1 ZINC000808675741 1026354470 /nfs/dbraw/zinc/35/44/70/1026354470.db2.gz QTCFFMUTUVQCPQ-HIFRSBDPSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000808677016 1026356814 /nfs/dbraw/zinc/35/68/14/1026356814.db2.gz OJTQJXRNPUXSGM-VBNZEHGJSA-N 1 0 308.853 3.631 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1O ZINC000808707721 1026359717 /nfs/dbraw/zinc/35/97/17/1026359717.db2.gz WTFIMXZSOUCTLN-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C)cc1O ZINC000279972223 1026359898 /nfs/dbraw/zinc/35/98/98/1026359898.db2.gz DAWWECXGIWMCAO-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1O ZINC000894205322 1026360788 /nfs/dbraw/zinc/36/07/88/1026360788.db2.gz XCRYOQKLBIETGJ-INIZCTEOSA-N 1 0 301.361 3.625 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)c1ccccc1 ZINC000808719406 1026366181 /nfs/dbraw/zinc/36/61/81/1026366181.db2.gz FIROLZHLGPIFDD-NCPSFGDWSA-N 1 0 315.388 3.791 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000808695964 1026373371 /nfs/dbraw/zinc/37/33/71/1026373371.db2.gz MIHSHKHVWYSEQF-XJKSGUPXSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000808695956 1026373445 /nfs/dbraw/zinc/37/34/45/1026373445.db2.gz MIHSHKHVWYSEQF-BBRMVZONSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)c1O ZINC000808696642 1026373759 /nfs/dbraw/zinc/37/37/59/1026373759.db2.gz RDVKVBIDRFTVKL-MLGOLLRUSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1O ZINC000808701614 1026375001 /nfs/dbraw/zinc/37/50/01/1026375001.db2.gz CNTHUDWMHOERKM-YMRXKLBXSA-N 1 0 317.816 3.663 20 10 DHCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@](C)([NH3+])C2)cc1Cl ZINC001204946965 1026410416 /nfs/dbraw/zinc/41/04/16/1026410416.db2.gz VNDXLSAPECNWTK-KRWDZBQOSA-N 1 0 310.869 3.656 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C)cc1O ZINC000279973695 1026441868 /nfs/dbraw/zinc/44/18/68/1026441868.db2.gz DCZOOBJZOKSWDZ-GOSISDBHSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1ccccc1C(C)(C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894225881 1026500791 /nfs/dbraw/zinc/50/07/91/1026500791.db2.gz MIWPBGFWPMQNNZ-UHFFFAOYSA-N 1 0 315.413 3.743 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1O ZINC000280066232 1026581331 /nfs/dbraw/zinc/58/13/31/1026581331.db2.gz LTLULFYMBUDHSD-NXEZZACHSA-N 1 0 316.264 3.558 20 10 DHCDRO CN(C)c1ccc(C[N@@H+](Cc2ccn(C)c2)Cc2ccco2)cc1 ZINC000809731029 1026597075 /nfs/dbraw/zinc/59/70/75/1026597075.db2.gz AGWCTYGFFUCPQN-UHFFFAOYSA-N 1 0 323.440 3.887 20 10 DHCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809702936 1026599481 /nfs/dbraw/zinc/59/94/81/1026599481.db2.gz KQAOZNGMESEDCY-YGRLFVJLSA-N 1 0 318.408 3.613 20 10 DHCDRO COc1cccc(O)c1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737382 1026609698 /nfs/dbraw/zinc/60/96/98/1026609698.db2.gz GTZGHXIFSJVJFQ-UHFFFAOYSA-N 1 0 313.397 3.519 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1F ZINC000809758489 1026617733 /nfs/dbraw/zinc/61/77/33/1026617733.db2.gz OGPIRNWUKUIANZ-RDJZCZTQSA-N 1 0 320.452 3.530 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000809757951 1026618040 /nfs/dbraw/zinc/61/80/40/1026618040.db2.gz XBSMTYDRDPQTQE-LJQANCHMSA-N 1 0 304.478 3.660 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(C)cc1O ZINC000280282318 1026626991 /nfs/dbraw/zinc/62/69/91/1026626991.db2.gz YQPUYIWKHBEMDM-NVXWUHKLSA-N 1 0 305.443 3.711 20 10 DHCDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000810163440 1026697809 /nfs/dbraw/zinc/69/78/09/1026697809.db2.gz UEPIZPMFHLPTBS-INIZCTEOSA-N 1 0 312.457 3.878 20 10 DHCDRO CC[C@H]([NH2+]CCOCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216545 1026708872 /nfs/dbraw/zinc/70/88/72/1026708872.db2.gz KMPPOQHCZNZMMW-AWEZNQCLSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217208 1026709344 /nfs/dbraw/zinc/70/93/44/1026709344.db2.gz YTJVIYBOWNPJDI-DGCLKSJQSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810226383 1026713172 /nfs/dbraw/zinc/71/31/72/1026713172.db2.gz FEODHXXCYZHEIZ-CMPLNLGQSA-N 1 0 305.365 3.957 20 10 DHCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810218078 1026710147 /nfs/dbraw/zinc/71/01/47/1026710147.db2.gz OLPJVOGDLDJRTC-VZJVUDMVSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217210 1026710328 /nfs/dbraw/zinc/71/03/28/1026710328.db2.gz YTJVIYBOWNPJDI-YPMHNXCESA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810224034 1026711779 /nfs/dbraw/zinc/71/17/79/1026711779.db2.gz RBOVRFFACYQMER-LBPRGKRZSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810221767 1026711842 /nfs/dbraw/zinc/71/18/42/1026711842.db2.gz UBDGQDPWFUBUMB-CQSZACIVSA-N 1 0 312.335 3.990 20 10 DHCDRO CC[C@H](C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O)OC ZINC000810261057 1026719853 /nfs/dbraw/zinc/71/98/53/1026719853.db2.gz SVPGPPRVLNMUDH-DGCLKSJQSA-N 1 0 305.340 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1C ZINC000810259550 1026721427 /nfs/dbraw/zinc/72/14/27/1026721427.db2.gz LRMAXJLAZBPMME-NVXWUHKLSA-N 1 0 311.425 3.972 20 10 DHCDRO CC[C@@H]([NH2+]CCOC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810236252 1026725299 /nfs/dbraw/zinc/72/52/99/1026725299.db2.gz AXVYONNQMAGRBN-CYBMUJFWSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237075 1026723581 /nfs/dbraw/zinc/72/35/81/1026723581.db2.gz DWFZSVAQBDOXGE-MFKMUULPSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810237986 1026726416 /nfs/dbraw/zinc/72/64/16/1026726416.db2.gz HCBSAXUJSBOQLJ-CYBMUJFWSA-N 1 0 317.351 3.614 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810245323 1026729955 /nfs/dbraw/zinc/72/99/55/1026729955.db2.gz YXUIZZPSDBOWNU-NFAWXSAZSA-N 1 0 308.441 3.790 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810256834 1026731707 /nfs/dbraw/zinc/73/17/07/1026731707.db2.gz DTYXAGQORDIMQQ-QLFBSQMISA-N 1 0 308.441 3.890 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894246230 1026770403 /nfs/dbraw/zinc/77/04/03/1026770403.db2.gz KGXOCYBBSTZTHI-CYBMUJFWSA-N 1 0 306.431 3.715 20 10 DHCDRO CSC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCC1 ZINC000811474967 1027014802 /nfs/dbraw/zinc/01/48/02/1027014802.db2.gz UOOMHSNILFJADU-UHFFFAOYSA-N 1 0 322.543 3.615 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000811512288 1027026458 /nfs/dbraw/zinc/02/64/58/1027026458.db2.gz KHKVXZVDTTWEPV-HXUWFJFHSA-N 1 0 309.409 3.670 20 10 DHCDRO CCc1cc(NCc2cc(OC)ccc2O)c2ccccc2[nH+]1 ZINC000811804841 1027086705 /nfs/dbraw/zinc/08/67/05/1027086705.db2.gz DFZYGHUXKIGOTI-UHFFFAOYSA-N 1 0 308.381 3.545 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1 ZINC000271848412 1027160652 /nfs/dbraw/zinc/16/06/52/1027160652.db2.gz SFNQAZNNSDYALO-KRWDZBQOSA-N 1 0 321.804 3.532 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000812769987 1027397576 /nfs/dbraw/zinc/39/75/76/1027397576.db2.gz FGOLMQRDCIGAJI-UHFFFAOYSA-N 1 0 322.456 3.709 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCCCF ZINC000812773836 1027399744 /nfs/dbraw/zinc/39/97/44/1027399744.db2.gz VGDASAKLHMSSKV-UHFFFAOYSA-N 1 0 303.377 3.811 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000423089325 1027414486 /nfs/dbraw/zinc/41/44/86/1027414486.db2.gz SCMMPVMWPCEVPM-UHFFFAOYSA-N 1 0 310.441 3.849 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000295861464 1027464307 /nfs/dbraw/zinc/46/43/07/1027464307.db2.gz BNCKJDQASDVIPG-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C2CC2)c1 ZINC000295989239 1027510932 /nfs/dbraw/zinc/51/09/32/1027510932.db2.gz KCNZNGSFVUEFSR-GFCCVEGCSA-N 1 0 311.381 3.849 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000237132339 1027611946 /nfs/dbraw/zinc/61/19/46/1027611946.db2.gz SQDSZIAGWFPUHB-HXUWFJFHSA-N 1 0 323.484 3.507 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N1CC2(CCC2)c2ccccc21 ZINC000423911867 1027630132 /nfs/dbraw/zinc/63/01/32/1027630132.db2.gz CHVGJPMFBMQLPZ-UHFFFAOYSA-N 1 0 320.436 3.531 20 10 DHCDRO C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000778984772 1027710946 /nfs/dbraw/zinc/71/09/46/1027710946.db2.gz KIECYALTLWMBOT-HKUYNNGSSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000813883847 1027750774 /nfs/dbraw/zinc/75/07/74/1027750774.db2.gz OWCQJANXOLSYAU-GXTWGEPZSA-N 1 0 318.367 3.600 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813886388 1027754788 /nfs/dbraw/zinc/75/47/88/1027754788.db2.gz AZHRSHAKRFLHDQ-CABZTGNLSA-N 1 0 304.365 3.728 20 10 DHCDRO C[C@H](N[C@H]1CCc2cccc(O)c21)c1noc(-c2ccccc2)n1 ZINC000296986525 1027771311 /nfs/dbraw/zinc/77/13/11/1027771311.db2.gz SDGNWKQZRQXKCM-WFASDCNBSA-N 1 0 321.380 3.780 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2ccnc(SCC)c2)c(O)c1 ZINC000778209406 1027877257 /nfs/dbraw/zinc/87/72/57/1027877257.db2.gz PRTCOTBPKPHULY-UHFFFAOYSA-N 1 0 318.442 3.588 20 10 DHCDRO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764365 1027886526 /nfs/dbraw/zinc/88/65/26/1027886526.db2.gz MHQKGSOPCAICCB-AUUYWEPGSA-N 1 0 307.397 3.566 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc(C)ccc1C ZINC000527817837 1027902798 /nfs/dbraw/zinc/90/27/98/1027902798.db2.gz CWFBTLPJCADJIM-INIZCTEOSA-N 1 0 313.397 3.979 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000779028827 1027925732 /nfs/dbraw/zinc/92/57/32/1027925732.db2.gz BOPODFDJZWZPJX-AWEZNQCLSA-N 1 0 321.779 3.838 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(F)n1 ZINC000747926891 1027978374 /nfs/dbraw/zinc/97/83/74/1027978374.db2.gz ZNDOTOIRATULHJ-UHFFFAOYSA-N 1 0 308.356 3.883 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000527946274 1027979644 /nfs/dbraw/zinc/97/96/44/1027979644.db2.gz HMNNARITWPBUNS-NVXWUHKLSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000528006716 1028032220 /nfs/dbraw/zinc/03/22/20/1028032220.db2.gz NRKYHXMRXUQDJI-VITBEWHZSA-N 1 0 317.351 3.874 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1O ZINC000528007316 1028034518 /nfs/dbraw/zinc/03/45/18/1028034518.db2.gz ZCSSLJZMFDYFAQ-MSOLQXFVSA-N 1 0 324.424 3.568 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1ccc(C)cc1O ZINC000366452985 1028082357 /nfs/dbraw/zinc/08/23/57/1028082357.db2.gz SESDQJHOQLTSHM-NVXWUHKLSA-N 1 0 313.445 3.824 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367297941 1028158866 /nfs/dbraw/zinc/15/88/66/1028158866.db2.gz AQAHUAOZXVOSIA-AWEZNQCLSA-N 1 0 312.413 3.736 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168105151 1028183368 /nfs/dbraw/zinc/18/33/68/1028183368.db2.gz MUQAMARBPZDTTC-DEYYWGMASA-N 1 0 303.446 3.790 20 10 DHCDRO COc1cc(C[N@H+](Cc2cccs2)C2CC2)c(O)cc1C ZINC000159753494 1028211081 /nfs/dbraw/zinc/21/10/81/1028211081.db2.gz DMRCHHVWVVPSCL-UHFFFAOYSA-N 1 0 303.427 3.935 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1O ZINC000776208302 1028221903 /nfs/dbraw/zinc/22/19/03/1028221903.db2.gz XECRRJVSZZOWTH-KRWDZBQOSA-N 1 0 311.853 3.775 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815042435 1028343836 /nfs/dbraw/zinc/34/38/36/1028343836.db2.gz PQFOAMGKOFHWMB-SFHVURJKSA-N 1 0 304.478 3.842 20 10 DHCDRO Cc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)ccc1N(C)C ZINC000815084716 1028356366 /nfs/dbraw/zinc/35/63/66/1028356366.db2.gz AJPDYPJNPVDMKD-GOSISDBHSA-N 1 0 314.477 3.672 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000160001574 1028377313 /nfs/dbraw/zinc/37/73/13/1028377313.db2.gz QFMBVCKBZGUBET-QZTJIDSGSA-N 1 0 318.486 3.763 20 10 DHCDRO CC(C)C1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000815151329 1028383205 /nfs/dbraw/zinc/38/32/05/1028383205.db2.gz MMBVCMOAGZYINE-UHFFFAOYSA-N 1 0 317.433 3.863 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000368795113 1028410616 /nfs/dbraw/zinc/41/06/16/1028410616.db2.gz DZCLNDOPFZVMGE-ZBFHGGJFSA-N 1 0 312.413 3.648 20 10 DHCDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000368814901 1028410659 /nfs/dbraw/zinc/41/06/59/1028410659.db2.gz XHRXWACQEJDRKQ-OHNRDTAOSA-N 1 0 315.388 3.960 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000368795112 1028411680 /nfs/dbraw/zinc/41/16/80/1028411680.db2.gz DZCLNDOPFZVMGE-HOCLYGCPSA-N 1 0 312.413 3.648 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCOCC1 ZINC000815562034 1028544899 /nfs/dbraw/zinc/54/48/99/1028544899.db2.gz VUYFCVRAJHXALE-LJQANCHMSA-N 1 0 311.425 3.835 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)c1O ZINC000370020189 1028555483 /nfs/dbraw/zinc/55/54/83/1028555483.db2.gz MVOUMFZHMZLIHN-GUYCJALGSA-N 1 0 317.816 3.665 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000815599746 1028563666 /nfs/dbraw/zinc/56/36/66/1028563666.db2.gz ZRPSHXRRMFDVDR-AWEZNQCLSA-N 1 0 314.385 3.811 20 10 DHCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1C ZINC000815574084 1028566273 /nfs/dbraw/zinc/56/62/73/1028566273.db2.gz DLMJPGPGBMVRMO-AWEZNQCLSA-N 1 0 301.434 3.693 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c(O)c1 ZINC000815616901 1028571957 /nfs/dbraw/zinc/57/19/57/1028571957.db2.gz AWDYSUXBRUZBAM-ZOCIIQOWSA-N 1 0 303.446 3.865 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cocn1 ZINC000815606039 1028581996 /nfs/dbraw/zinc/58/19/96/1028581996.db2.gz MBFSRPBVPLBSHA-GOSISDBHSA-N 1 0 308.381 3.844 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC001170805744 1028649548 /nfs/dbraw/zinc/64/95/48/1028649548.db2.gz WFICUHRWBCXBDZ-KDOFPFPSSA-N 1 0 303.446 3.791 20 10 DHCDRO Oc1c(CN2CC[NH+](C3CCCC3)CC2)ccc2ccccc21 ZINC000816483782 1028891430 /nfs/dbraw/zinc/89/14/30/1028891430.db2.gz DSVVXXCEKONBCX-UHFFFAOYSA-N 1 0 310.441 3.606 20 10 DHCDRO COC(=O)CC[N@@H+](Cc1ccc2ccccc2c1O)CC(C)C ZINC000816492278 1028896175 /nfs/dbraw/zinc/89/61/75/1028896175.db2.gz NOSILJFNCOBFQC-UHFFFAOYSA-N 1 0 315.413 3.567 20 10 DHCDRO CC[C@@]1(C)C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000190343897 1028903124 /nfs/dbraw/zinc/90/31/24/1028903124.db2.gz QFURPWHYBWGSLA-IBGZPJMESA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ccccc1O ZINC000372927008 1028923242 /nfs/dbraw/zinc/92/32/42/1028923242.db2.gz KHZKTXAZLZXQEW-KGLIPLIRSA-N 1 0 323.396 3.724 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H](O)c2cccc(F)c2)ccc2ccccc21 ZINC000816543770 1028926574 /nfs/dbraw/zinc/92/65/74/1028926574.db2.gz NJWNKJKRVHBFIZ-GOSISDBHSA-N 1 0 311.356 3.508 20 10 DHCDRO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548367 1028929161 /nfs/dbraw/zinc/92/91/61/1028929161.db2.gz FMFNZQYMAMSZLJ-HOTGVXAUSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[NH2+]C[C@H](O)c2ccc(F)cc2)ccc2ccccc21 ZINC000816528905 1028935531 /nfs/dbraw/zinc/93/55/31/1028935531.db2.gz XCNJEBNAPPVYQW-SFHVURJKSA-N 1 0 311.356 3.508 20 10 DHCDRO Oc1c(C[NH2+]CCc2ccc(Cl)nc2)ccc2ccccc21 ZINC000816556612 1028942504 /nfs/dbraw/zinc/94/25/04/1028942504.db2.gz ONCCLNLWKKXJRR-UHFFFAOYSA-N 1 0 312.800 3.926 20 10 DHCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816561307 1028945558 /nfs/dbraw/zinc/94/55/58/1028945558.db2.gz SLSHARYZYYOXEL-GFCCVEGCSA-N 1 0 316.848 3.785 20 10 DHCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816562277 1028946024 /nfs/dbraw/zinc/94/60/24/1028946024.db2.gz FRQLXVYGPUBICT-UHFFFAOYSA-N 1 0 308.337 3.743 20 10 DHCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816559596 1028946448 /nfs/dbraw/zinc/94/64/48/1028946448.db2.gz OVOGLOVYTTTXOA-GOSISDBHSA-N 1 0 301.430 3.678 20 10 DHCDRO COCC[N@H+](Cc1cccnc1)Cc1ccc2ccccc2c1O ZINC000816610805 1028960828 /nfs/dbraw/zinc/96/08/28/1028960828.db2.gz ZGDUJTATHNBUEA-UHFFFAOYSA-N 1 0 322.408 3.589 20 10 DHCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816610339 1028961862 /nfs/dbraw/zinc/96/18/62/1028961862.db2.gz HIXATLSRVPHSGA-UHFFFAOYSA-N 1 0 321.376 3.622 20 10 DHCDRO Oc1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816656307 1028980622 /nfs/dbraw/zinc/98/06/22/1028980622.db2.gz NIHZCQSAOXOCEB-HXUWFJFHSA-N 1 0 323.436 3.936 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(C)cc1O ZINC000373522977 1029069919 /nfs/dbraw/zinc/06/99/19/1029069919.db2.gz OGQJXFGRMMDNQK-QXAKKESOSA-N 1 0 303.446 3.947 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cccc(C)c1O ZINC000373571026 1029083246 /nfs/dbraw/zinc/08/32/46/1029083246.db2.gz BAWCDNREOWEZJY-ZDUSSCGKSA-N 1 0 302.443 3.675 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cc(C)nc(C)c2)ccc1OC ZINC000817411412 1029153038 /nfs/dbraw/zinc/15/30/38/1029153038.db2.gz RHEFVQPOVWMDPK-UHFFFAOYSA-N 1 0 314.429 3.533 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779346118 1029169419 /nfs/dbraw/zinc/16/94/19/1029169419.db2.gz UZAIMCUGTKBNAI-GOSISDBHSA-N 1 0 319.399 3.913 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817939502 1029281197 /nfs/dbraw/zinc/28/11/97/1029281197.db2.gz BXAWYCGDTJCNOE-UAOJZALGSA-N 1 0 309.457 3.591 20 10 DHCDRO CCCOc1ccc(CN2CCC[C@H]2c2nccs2)c(O)c1 ZINC000374302966 1029281600 /nfs/dbraw/zinc/28/16/00/1029281600.db2.gz REJLYOLNHGMKPA-HNNXBMFYSA-N 1 0 318.442 3.975 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938618 1029281519 /nfs/dbraw/zinc/28/15/19/1029281519.db2.gz OMGHHVTXLJIEOJ-CXAGYDPISA-N 1 0 317.502 3.727 20 10 DHCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000817939016 1029285313 /nfs/dbraw/zinc/28/53/13/1029285313.db2.gz XPOYKPQSCXNHRE-ACJLOTCBSA-N 1 0 317.864 3.757 20 10 DHCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000817942219 1029287284 /nfs/dbraw/zinc/28/72/84/1029287284.db2.gz NAJVSPOSGLGFAI-SFTDATJTSA-N 1 0 323.484 3.883 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000817943892 1029288399 /nfs/dbraw/zinc/28/83/99/1029288399.db2.gz WKNWQXXODQZVIF-FCRQHZQGSA-N 1 0 323.484 3.534 20 10 DHCDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951933 1029294867 /nfs/dbraw/zinc/29/48/67/1029294867.db2.gz BQGKLYUTBFJOPV-JTQLQIEISA-N 1 0 305.249 3.738 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000817955340 1029295173 /nfs/dbraw/zinc/29/51/73/1029295173.db2.gz VXCGXSISBKEOHC-IFXJQAMLSA-N 1 0 310.441 3.622 20 10 DHCDRO CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965454 1029304344 /nfs/dbraw/zinc/30/43/44/1029304344.db2.gz VBGRGASKEILZJH-NSHDSACASA-N 1 0 303.233 3.621 20 10 DHCDRO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817968617 1029308089 /nfs/dbraw/zinc/30/80/89/1029308089.db2.gz UVIGGEXXKXBWDM-AWEZNQCLSA-N 1 0 315.244 3.659 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966225 1029308524 /nfs/dbraw/zinc/30/85/24/1029308524.db2.gz JGJZJNIDUNKZFU-BONVTDFDSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Cl)ccc1O ZINC000817974692 1029311074 /nfs/dbraw/zinc/31/10/74/1029311074.db2.gz NRGPHVOKPWTMPL-PXAZEXFGSA-N 1 0 316.832 3.583 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000817975068 1029313355 /nfs/dbraw/zinc/31/33/55/1029313355.db2.gz IGIGBIQJIMVGFW-ZDUSSCGKSA-N 1 0 312.413 3.610 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817975052 1029314880 /nfs/dbraw/zinc/31/48/80/1029314880.db2.gz IDZYZIYABDIUOB-MLGOLLRUSA-N 1 0 312.413 3.927 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979977 1029317216 /nfs/dbraw/zinc/31/72/16/1029317216.db2.gz GUCDINSWCIWWMB-MNOVXSKESA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817984175 1029323452 /nfs/dbraw/zinc/32/34/52/1029323452.db2.gz VTAJWTLDBQJIQM-SJCJKPOMSA-N 1 0 320.383 3.801 20 10 DHCDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817985438 1029323763 /nfs/dbraw/zinc/32/37/63/1029323763.db2.gz KBQPSUFJVFEQEN-SNVBAGLBSA-N 1 0 315.244 3.659 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C/C=C/c3ccccc3)C2)cc1 ZINC000818221828 1029356412 /nfs/dbraw/zinc/35/64/12/1029356412.db2.gz UNAFGAIPXGHLSW-MTCRFPMVSA-N 1 0 322.452 3.825 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C(C)C)C3CC3)C2)cc1 ZINC000818342608 1029375495 /nfs/dbraw/zinc/37/54/95/1029375495.db2.gz SRDJFJOFPZLPIH-HNAYVOBHSA-N 1 0 302.462 3.546 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000818616141 1029420890 /nfs/dbraw/zinc/42/08/90/1029420890.db2.gz UBAPSOGQJZOHFS-ZEGGKSINSA-N 1 0 303.233 3.620 20 10 DHCDRO COc1cc(Cl)c(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000865640517 1029956184 /nfs/dbraw/zinc/95/61/84/1029956184.db2.gz KUDZZKQFORAMLF-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000120686268 1029978060 /nfs/dbraw/zinc/97/80/60/1029978060.db2.gz UOSUQCNUCBDMOW-GUXCAODWSA-N 1 0 312.457 3.915 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)c1cccc(Cl)c1 ZINC000290281891 1029980092 /nfs/dbraw/zinc/98/00/92/1029980092.db2.gz ZDTRTJHNOKANBF-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2C)c1O ZINC000120693362 1029981586 /nfs/dbraw/zinc/98/15/86/1029981586.db2.gz YCEWKRCSRKRZDP-UHFFFAOYSA-N 1 0 303.377 3.571 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000865726948 1029991559 /nfs/dbraw/zinc/99/15/59/1029991559.db2.gz WKQRVTPNGPQDKZ-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO CCOc1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c(O)c1 ZINC000865726757 1029992225 /nfs/dbraw/zinc/99/22/25/1029992225.db2.gz SJNDRMIIWVELTC-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865725847 1029992988 /nfs/dbraw/zinc/99/29/88/1029992988.db2.gz DVFDJJZFCINOND-INIZCTEOSA-N 1 0 309.837 3.875 20 10 DHCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000822455162 1030031893 /nfs/dbraw/zinc/03/18/93/1030031893.db2.gz ALCUPKGASAJHGM-ROUUACIJSA-N 1 0 304.503 3.907 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823458889 1030293352 /nfs/dbraw/zinc/29/33/52/1030293352.db2.gz JHEGJAAOVJTCBM-QGZVFWFLSA-N 1 0 316.470 3.605 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc2ccccc2c1O ZINC000866445086 1030297064 /nfs/dbraw/zinc/29/70/64/1030297064.db2.gz NAKIEQRZXDTCTE-AZPRDAFXSA-N 1 0 309.409 3.619 20 10 DHCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc2ccccc2c1O ZINC000866445087 1030298024 /nfs/dbraw/zinc/29/80/24/1030298024.db2.gz NAKIEQRZXDTCTE-FOUKNCHNSA-N 1 0 309.409 3.619 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC1([C@H]3CCCCO3)CCC1)CC2 ZINC000866480497 1030318921 /nfs/dbraw/zinc/31/89/21/1030318921.db2.gz FBOPZMSSDRFJLU-DOTOQJQBSA-N 1 0 301.430 3.709 20 10 DHCDRO COCCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823585336 1030328537 /nfs/dbraw/zinc/32/85/37/1030328537.db2.gz WWPWOBOPIWGVSK-UHFFFAOYSA-N 1 0 304.459 3.511 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2c1c(F)ccc2O ZINC000866528244 1030346626 /nfs/dbraw/zinc/34/66/26/1030346626.db2.gz CIPVXBUJULJMRO-IPYPFGDCSA-N 1 0 319.420 3.876 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1C ZINC000866529860 1030349719 /nfs/dbraw/zinc/34/97/19/1030349719.db2.gz SXRUYYBIIWRENH-HOTGVXAUSA-N 1 0 303.446 3.866 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000823702562 1030367454 /nfs/dbraw/zinc/36/74/54/1030367454.db2.gz PYLRYHWIJRQHTI-HXUWFJFHSA-N 1 0 316.489 3.564 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000823729398 1030383833 /nfs/dbraw/zinc/38/38/33/1030383833.db2.gz FQUBPJBUMVSGDZ-HNNXBMFYSA-N 1 0 316.470 3.744 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c(O)c1C ZINC000866573410 1030385808 /nfs/dbraw/zinc/38/58/08/1030385808.db2.gz KGMGJZJOZQJTHV-HNNXBMFYSA-N 1 0 323.440 3.789 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000866610060 1030400186 /nfs/dbraw/zinc/40/01/86/1030400186.db2.gz PXTSLXDJGAVHGZ-LERXQTSPSA-N 1 0 315.335 3.949 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)O1 ZINC000823837373 1030408306 /nfs/dbraw/zinc/40/83/06/1030408306.db2.gz VTAVRWXGKDMESP-GPMSIDNRSA-N 1 0 302.462 3.578 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)c1O ZINC000866621796 1030409603 /nfs/dbraw/zinc/40/96/03/1030409603.db2.gz KCZSTVZAJIGKEF-VXGBXAGGSA-N 1 0 312.369 3.954 20 10 DHCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000823843198 1030410295 /nfs/dbraw/zinc/41/02/95/1030410295.db2.gz YVIICGDXYDFOMY-CVEARBPZSA-N 1 0 308.441 3.719 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc2ccccc2c1O ZINC000866632831 1030414159 /nfs/dbraw/zinc/41/41/59/1030414159.db2.gz CFIWNQKUDNLJGE-DYVFJYSZSA-N 1 0 307.397 3.928 20 10 DHCDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824059362 1030461653 /nfs/dbraw/zinc/46/16/53/1030461653.db2.gz VTQTZNQHZUBKTI-AWEZNQCLSA-N 1 0 318.486 3.634 20 10 DHCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824081000 1030471330 /nfs/dbraw/zinc/47/13/30/1030471330.db2.gz QYIFXZGMHWJYPD-GOSISDBHSA-N 1 0 318.486 3.635 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1F ZINC000824583769 1030594784 /nfs/dbraw/zinc/59/47/84/1030594784.db2.gz QIOBCSNSXNABAU-GOSISDBHSA-N 1 0 308.441 3.530 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824695765 1030613051 /nfs/dbraw/zinc/61/30/51/1030613051.db2.gz CJRNXQCDICPTJG-ZACQAIPSSA-N 1 0 323.864 3.870 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000824894552 1030660553 /nfs/dbraw/zinc/66/05/53/1030660553.db2.gz HOHHWAFXYSRFRZ-HNNXBMFYSA-N 1 0 322.880 3.518 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H](C)O ZINC000824921300 1030671527 /nfs/dbraw/zinc/67/15/27/1030671527.db2.gz IOJIYJUYQVCVFF-RDTXWAMCSA-N 1 0 318.486 3.634 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000824921081 1030674622 /nfs/dbraw/zinc/67/46/22/1030674622.db2.gz DXKJHEONZGBIMQ-ICCXJUOJSA-N 1 0 305.340 3.611 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N(C)C)cc1 ZINC000122430387 1030702704 /nfs/dbraw/zinc/70/27/04/1030702704.db2.gz ZARYCLFYUYHMJX-CQSZACIVSA-N 1 0 315.436 3.809 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(CC)COC2)cc1 ZINC000825072207 1030717264 /nfs/dbraw/zinc/71/72/64/1030717264.db2.gz CSFDMHUYFGGAOH-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1Cl ZINC000825077846 1030720351 /nfs/dbraw/zinc/72/03/51/1030720351.db2.gz JZZPTAZPYRLXKV-AWEZNQCLSA-N 1 0 318.804 3.622 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1Cl ZINC000825085520 1030720818 /nfs/dbraw/zinc/72/08/18/1030720818.db2.gz YKXYYJGWJMJXRT-HNNXBMFYSA-N 1 0 324.877 3.808 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825144941 1030733307 /nfs/dbraw/zinc/73/33/07/1030733307.db2.gz SWCVNPYIISENCV-UHFFFAOYSA-N 1 0 305.752 3.686 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000291997153 1030748299 /nfs/dbraw/zinc/74/82/99/1030748299.db2.gz XIDVNRYNDONCJL-MRXNPFEDSA-N 1 0 301.434 3.852 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)cc1 ZINC000825188998 1030754254 /nfs/dbraw/zinc/75/42/54/1030754254.db2.gz VLLMGWQCXCLZKD-UHFFFAOYSA-N 1 0 324.468 3.634 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)C1(O)CCCC1 ZINC000825239651 1030756173 /nfs/dbraw/zinc/75/61/73/1030756173.db2.gz AIFCIGCCEIZDCK-UHFFFAOYSA-N 1 0 313.441 3.966 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000825228699 1030756898 /nfs/dbraw/zinc/75/68/98/1030756898.db2.gz ZOZHEUIUXWRKCQ-UHFFFAOYSA-N 1 0 318.214 3.934 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000825232045 1030756955 /nfs/dbraw/zinc/75/69/55/1030756955.db2.gz LLYSPSFZCZSZQB-LEWSCRJBSA-N 1 0 317.351 3.613 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N(C)C)c2)cc1Cl ZINC000825241323 1030758785 /nfs/dbraw/zinc/75/87/85/1030758785.db2.gz QPKVRTZLEHPVMJ-UHFFFAOYSA-N 1 0 304.821 3.710 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC000825279873 1030763867 /nfs/dbraw/zinc/76/38/67/1030763867.db2.gz ZEBKVEDEVMIORA-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1c(C)nn(C)c1C ZINC000825325447 1030774237 /nfs/dbraw/zinc/77/42/37/1030774237.db2.gz FEANKZMNLMLKLA-OAHLLOKOSA-N 1 0 321.852 3.945 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1c(C)nn(C)c1C ZINC000825325446 1030775753 /nfs/dbraw/zinc/77/57/53/1030775753.db2.gz FEANKZMNLMLKLA-HNNXBMFYSA-N 1 0 321.852 3.945 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926594939 1030815821 /nfs/dbraw/zinc/81/58/21/1030815821.db2.gz FNSIRGAUHOZDBX-MKKMNNAKSA-N 1 0 316.489 3.539 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1Cl ZINC000825489014 1030824091 /nfs/dbraw/zinc/82/40/91/1030824091.db2.gz BHSDSEVRWHHTPB-AWEZNQCLSA-N 1 0 309.837 3.603 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122782151 1030867068 /nfs/dbraw/zinc/86/70/68/1030867068.db2.gz RUNVJRPKYSYUNO-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000926918335 1030992235 /nfs/dbraw/zinc/99/22/35/1030992235.db2.gz ZVVSOKOROREZBR-SLEUVZQESA-N 1 0 317.351 3.851 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cccc3[nH]ccc32)n1 ZINC000123144555 1031007516 /nfs/dbraw/zinc/00/75/16/1031007516.db2.gz FYOOLWUKJNWMKN-UHFFFAOYSA-N 1 0 303.456 3.896 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2O ZINC000926949753 1031012136 /nfs/dbraw/zinc/01/21/36/1031012136.db2.gz NSRCGPNFKCGLEK-LOKLDPHHSA-N 1 0 303.299 3.868 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(C)cc1O ZINC000926960343 1031018492 /nfs/dbraw/zinc/01/84/92/1031018492.db2.gz FMCMECFMADWRJM-DZGCQCFKSA-N 1 0 318.383 3.624 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](CC)c3ccccc3O)C2)n1 ZINC000927053188 1031050998 /nfs/dbraw/zinc/05/09/98/1031050998.db2.gz OPDKBOZNYLGLCW-VNHYZAJKSA-N 1 0 315.417 3.715 20 10 DHCDRO CC(C)Oc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000844321705 1031067012 /nfs/dbraw/zinc/06/70/12/1031067012.db2.gz HFGDXIAQUDAFRH-OAHLLOKOSA-N 1 0 313.445 3.786 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1OCCc3ccccc31)CC2 ZINC000927113235 1031097972 /nfs/dbraw/zinc/09/79/72/1031097972.db2.gz XUUKSHQOTBCGCZ-IEBWSBKVSA-N 1 0 309.409 3.673 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000927115164 1031100605 /nfs/dbraw/zinc/10/06/05/1031100605.db2.gz JEBLBGNYGXPXCQ-YJYMSZOUSA-N 1 0 315.388 3.886 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927137660 1031112669 /nfs/dbraw/zinc/11/26/69/1031112669.db2.gz AGOWSQAXMXQABZ-ZANVPECISA-N 1 0 304.365 3.728 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000292726904 1031145944 /nfs/dbraw/zinc/14/59/44/1031145944.db2.gz FYGXFGNSOIEANZ-PXAZEXFGSA-N 1 0 303.427 3.554 20 10 DHCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(Cl)cc(OC)c2O)o1 ZINC000292757644 1031158453 /nfs/dbraw/zinc/15/84/53/1031158453.db2.gz JDRZOHGTIGARMN-UHFFFAOYSA-N 1 0 324.808 3.593 20 10 DHCDRO Cc1c(O)cccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001144119128 1031258139 /nfs/dbraw/zinc/25/81/39/1031258139.db2.gz VFCXUOIEZIXJSK-UHFFFAOYSA-N 1 0 310.441 3.933 20 10 DHCDRO Oc1cccc2c1CN(Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144134324 1031269456 /nfs/dbraw/zinc/26/94/56/1031269456.db2.gz KSBLFXAOYNOYSB-UHFFFAOYSA-N 1 0 309.743 3.882 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732730 1031320901 /nfs/dbraw/zinc/32/09/01/1031320901.db2.gz RILFYYCZEFEQPC-UKRRQHHQSA-N 1 0 315.413 3.553 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1C ZINC000293107277 1031331063 /nfs/dbraw/zinc/33/10/63/1031331063.db2.gz YHGNIMHLPXYNFX-UHFFFAOYSA-N 1 0 324.346 3.755 20 10 DHCDRO Oc1cccc2c1C[N@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251354 1031393076 /nfs/dbraw/zinc/39/30/76/1031393076.db2.gz FHWJEIXYVFYLPK-UHFFFAOYSA-N 1 0 304.393 3.741 20 10 DHCDRO Cc1ccoc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000293288268 1031411401 /nfs/dbraw/zinc/41/14/01/1031411401.db2.gz DEHBEVBGADBREH-JTQLQIEISA-N 1 0 310.191 3.907 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc2ccccc2c1O ZINC000872111652 1031502832 /nfs/dbraw/zinc/50/28/32/1031502832.db2.gz FNVKOTSLEGHRFJ-HIFRSBDPSA-N 1 0 313.397 3.539 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293658037 1031556730 /nfs/dbraw/zinc/55/67/30/1031556730.db2.gz IIVOXWGEGXHEME-GFCCVEGCSA-N 1 0 314.429 3.981 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260405 1031564993 /nfs/dbraw/zinc/56/49/93/1031564993.db2.gz PSMDERGAMPMJSU-INIZCTEOSA-N 1 0 309.837 3.969 20 10 DHCDRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000872757742 1031654774 /nfs/dbraw/zinc/65/47/74/1031654774.db2.gz KADLNRWPQJMEOC-ZXFUBFMLSA-N 1 0 311.425 3.671 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1C ZINC000873043419 1031698980 /nfs/dbraw/zinc/69/89/80/1031698980.db2.gz NXQIUOMTZWCGLJ-AWEZNQCLSA-N 1 0 301.434 3.677 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1C ZINC000873079151 1031703297 /nfs/dbraw/zinc/70/32/97/1031703297.db2.gz DBGRIYGBUJNFGW-KRWDZBQOSA-N 1 0 303.446 3.975 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000845971829 1031789289 /nfs/dbraw/zinc/78/92/89/1031789289.db2.gz NFPODQYMYLKZGZ-NSHDSACASA-N 1 0 318.442 3.587 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000845972469 1031789952 /nfs/dbraw/zinc/78/99/52/1031789952.db2.gz QUFRAJWKQYKZDY-XUWVNRHRSA-N 1 0 319.445 3.647 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2scnc2C2CC2)c1 ZINC000845973085 1031790153 /nfs/dbraw/zinc/79/01/53/1031790153.db2.gz WWKQDHZAMCELQA-JTQLQIEISA-N 1 0 304.415 3.586 20 10 DHCDRO CC[C@@H](OCC[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000846018154 1031807990 /nfs/dbraw/zinc/80/79/90/1031807990.db2.gz JADXGSVBIAMJBF-QGZVFWFLSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054243 1031847072 /nfs/dbraw/zinc/84/70/72/1031847072.db2.gz ITAJUEJUDBOAOO-UHFFFAOYSA-N 1 0 317.763 3.675 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111821 1031860275 /nfs/dbraw/zinc/86/02/75/1031860275.db2.gz NWZCHDQTMPSNKE-IYBDPMFKSA-N 1 0 301.336 3.756 20 10 DHCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000846111463 1031863327 /nfs/dbraw/zinc/86/33/27/1031863327.db2.gz PKGIGBNLVALDFA-OAHLLOKOSA-N 1 0 318.486 3.587 20 10 DHCDRO ClC1(Cl)C[C@H]1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846103447 1031876339 /nfs/dbraw/zinc/87/63/39/1031876339.db2.gz XRCRGFWKWYHOGL-CYBMUJFWSA-N 1 0 300.229 3.685 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846105389 1031879873 /nfs/dbraw/zinc/87/98/73/1031879873.db2.gz TVHIVPBSWWRJFR-RCFWFJCLSA-N 1 0 306.400 3.887 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104145 1031880043 /nfs/dbraw/zinc/88/00/43/1031880043.db2.gz FKQXNDFVYPRDHZ-AWEZNQCLSA-N 1 0 301.764 3.975 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1O ZINC000846149401 1031881816 /nfs/dbraw/zinc/88/18/16/1031881816.db2.gz YXDAVSJLXRQXSL-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO CC1(C)CC2(CC([NH2+]Cc3ccc4ccccc4c3O)C2)CO1 ZINC000897970104 1031884427 /nfs/dbraw/zinc/88/44/27/1031884427.db2.gz FNURTHXCBFTHNU-UHFFFAOYSA-N 1 0 311.425 3.983 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c(C)c1 ZINC000846152758 1031885316 /nfs/dbraw/zinc/88/53/16/1031885316.db2.gz DACBADHTDRBALL-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1O ZINC000846150274 1031886596 /nfs/dbraw/zinc/88/65/96/1031886596.db2.gz CSEPXAABAVJREE-ABAIWWIYSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCC2Cc3ccccc3C2)c1O ZINC000846157017 1031888714 /nfs/dbraw/zinc/88/87/14/1031888714.db2.gz IAVAHECGTXACKC-CQSZACIVSA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000846157889 1031889081 /nfs/dbraw/zinc/88/90/81/1031889081.db2.gz YMDJVMLZEUMSOU-ZIAGYGMSSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1O ZINC000846167701 1031893599 /nfs/dbraw/zinc/89/35/99/1031893599.db2.gz BHRYIDGRKOWFPK-DIOULYMOSA-N 1 0 301.361 3.747 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1O ZINC000846163631 1031895575 /nfs/dbraw/zinc/89/55/75/1031895575.db2.gz CFJONHFXFOOXON-GJZGRUSLSA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2nc(C)cs2)c1O ZINC000846166388 1031895591 /nfs/dbraw/zinc/89/55/91/1031895591.db2.gz WLEMTEUNJMWVQN-CMPLNLGQSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000846170238 1031897134 /nfs/dbraw/zinc/89/71/34/1031897134.db2.gz MTJLCZSCVBOLJQ-XJKCOSOUSA-N 1 0 313.397 3.964 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000846169491 1031897946 /nfs/dbraw/zinc/89/79/46/1031897946.db2.gz RFYWQVMXWZRHSI-GRDNDAEWSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000846169591 1031897969 /nfs/dbraw/zinc/89/79/69/1031897969.db2.gz IFMKPFZKGCGFSK-OLZOCXBDSA-N 1 0 315.438 3.941 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000846171426 1031898661 /nfs/dbraw/zinc/89/86/61/1031898661.db2.gz GPURJCJMXSSONQ-OLZOCXBDSA-N 1 0 307.459 3.585 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1O ZINC000846136559 1031900653 /nfs/dbraw/zinc/90/06/53/1031900653.db2.gz JYCYRKPKDLKDDU-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc3cccnc32)c1O ZINC000846138251 1031900948 /nfs/dbraw/zinc/90/09/48/1031900948.db2.gz JCCNODNGAGBZEV-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c1O ZINC000846140636 1031901313 /nfs/dbraw/zinc/90/13/13/1031901313.db2.gz BURPAXJMQPSXPQ-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CSc3ccccc32)c1O ZINC000846142751 1031903973 /nfs/dbraw/zinc/90/39/73/1031903973.db2.gz CHGHAKXRQMXECN-FZMZJTMJSA-N 1 0 301.411 3.898 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2Cl)c1O ZINC000846141513 1031904394 /nfs/dbraw/zinc/90/43/94/1031904394.db2.gz KRCPGJNKAVASBW-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2F)c1O ZINC000846142188 1031904723 /nfs/dbraw/zinc/90/47/23/1031904723.db2.gz DCNOYBPLKKLORK-CHWSQXEVSA-N 1 0 303.377 3.822 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1O ZINC000846145543 1031906313 /nfs/dbraw/zinc/90/63/13/1031906313.db2.gz LHYLEDWDOIVACP-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1O ZINC000846145909 1031906731 /nfs/dbraw/zinc/90/67/31/1031906731.db2.gz OPUMUTBPYIYKBI-UONOGXRCSA-N 1 0 313.397 3.618 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2csc(C(C)C)n2)c1O ZINC000846145311 1031907666 /nfs/dbraw/zinc/90/76/66/1031907666.db2.gz MXIARBGELKPYBI-LBPRGKRZSA-N 1 0 320.458 3.874 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)c1O ZINC000846146249 1031909210 /nfs/dbraw/zinc/90/92/10/1031909210.db2.gz OUCUYNBWIYGKIA-CHWSQXEVSA-N 1 0 305.443 3.992 20 10 DHCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000846211131 1031910843 /nfs/dbraw/zinc/91/08/43/1031910843.db2.gz TVBFDBAJJKWAKY-LLVKDONJSA-N 1 0 317.351 3.614 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1O ZINC000846146274 1031910914 /nfs/dbraw/zinc/91/09/14/1031910914.db2.gz OVSIPIUENUDZQV-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897986069 1031914714 /nfs/dbraw/zinc/91/47/14/1031914714.db2.gz WAEOCGOMGZIXGA-UHFFFAOYSA-N 1 0 315.505 3.639 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2O ZINC000846187090 1031919833 /nfs/dbraw/zinc/91/98/33/1031919833.db2.gz IEZQUWQOJSPUFA-PRIMNGNOSA-N 1 0 319.420 3.874 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187711 1031922635 /nfs/dbraw/zinc/92/26/35/1031922635.db2.gz MFERGRXLLPHWAN-PMACEKPBSA-N 1 0 316.489 3.999 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000898320948 1032020538 /nfs/dbraw/zinc/02/05/38/1032020538.db2.gz OQRNYYTYXRFWNY-WUUFJKRQSA-N 1 0 307.441 3.902 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C2CC(C)(C)OC(C)(C)C2)cc1 ZINC001172659658 1033310982 /nfs/dbraw/zinc/31/09/82/1033310982.db2.gz FRZIMHOSLHCQGJ-UHFFFAOYSA-N 1 0 304.478 3.921 20 10 DHCDRO OC1CCN(c2ccc(C[NH+](C3CCC3)C3CCC3)cc2)CC1 ZINC000877547676 1033348802 /nfs/dbraw/zinc/34/88/02/1033348802.db2.gz GOGFEIQUYOOHIH-UHFFFAOYSA-N 1 0 314.473 3.555 20 10 DHCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001172776524 1033364901 /nfs/dbraw/zinc/36/49/01/1033364901.db2.gz LDMAEMFASQTXPI-UAGQMJEPSA-N 1 0 318.461 3.525 20 10 DHCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000877612017 1033382062 /nfs/dbraw/zinc/38/20/62/1033382062.db2.gz AWMCSJPHKWNKNW-GIPWTMENSA-N 1 0 319.769 3.858 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672699 1033406801 /nfs/dbraw/zinc/40/68/01/1033406801.db2.gz KXWDLWPCIRPNRY-RTBURBONSA-N 1 0 311.425 3.653 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)c(O)c1 ZINC000877674534 1033407878 /nfs/dbraw/zinc/40/78/78/1033407878.db2.gz RKCHDLPRNMOASR-UHFFFAOYSA-N 1 0 302.443 3.612 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877674336 1033408570 /nfs/dbraw/zinc/40/85/70/1033408570.db2.gz UBMLINZMECPMNT-SFTDATJTSA-N 1 0 324.468 3.759 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000877685334 1033412829 /nfs/dbraw/zinc/41/28/29/1033412829.db2.gz VEKCLSZFCGEHFO-MRVPVSSYSA-N 1 0 312.822 3.670 20 10 DHCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)cc1O ZINC001172855593 1033424533 /nfs/dbraw/zinc/42/45/33/1033424533.db2.gz DTSOIRWWMSNIPZ-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1N(C)C)c1ccccc1O ZINC000877755568 1033431177 /nfs/dbraw/zinc/43/11/77/1033431177.db2.gz FRENRLUGPYLYCX-LLVKDONJSA-N 1 0 306.356 3.587 20 10 DHCDRO CCOCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000877757169 1033434559 /nfs/dbraw/zinc/43/45/59/1033434559.db2.gz KTTFVQADFFCUOS-AWEZNQCLSA-N 1 0 301.386 3.616 20 10 DHCDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877796469 1033454084 /nfs/dbraw/zinc/45/40/84/1033454084.db2.gz NVRJYFOJPVSNSM-GOSISDBHSA-N 1 0 316.489 3.660 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000877812298 1033462639 /nfs/dbraw/zinc/46/26/39/1033462639.db2.gz LYWDDJNHWYICFF-AWEZNQCLSA-N 1 0 303.324 3.565 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172918530 1033467052 /nfs/dbraw/zinc/46/70/52/1033467052.db2.gz RWLJQXVHXAGFQR-IEBWSBKVSA-N 1 0 302.462 3.724 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000877814633 1033467577 /nfs/dbraw/zinc/46/75/77/1033467577.db2.gz VQZHTIZBBSLBNL-HNNXBMFYSA-N 1 0 302.443 3.709 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2C)c1 ZINC000878360166 1033673697 /nfs/dbraw/zinc/67/36/97/1033673697.db2.gz IGXFBZRSCDYQKO-CYBMUJFWSA-N 1 0 300.402 3.572 20 10 DHCDRO Cc1cc(C)c(C[NH2+]C2Cc3cc(F)c(F)cc3C2)c(O)c1 ZINC001173476625 1033739250 /nfs/dbraw/zinc/73/92/50/1033739250.db2.gz QPZNPWAWCLKUOJ-UHFFFAOYSA-N 1 0 303.352 3.544 20 10 DHCDRO CCCC[N@H+](Cc1nccn1CC(F)F)Cc1ccccc1O ZINC000878566018 1033753554 /nfs/dbraw/zinc/75/35/54/1033753554.db2.gz YOLSCZFQOZPFSR-UHFFFAOYSA-N 1 0 323.387 3.656 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000862211141 1033779394 /nfs/dbraw/zinc/77/93/94/1033779394.db2.gz CRRDUMMDOPAEQJ-CQSZACIVSA-N 1 0 321.218 3.820 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2n[nH]cc21 ZINC000862212430 1033779928 /nfs/dbraw/zinc/77/99/28/1033779928.db2.gz RQJMRQVDQIBRFM-UHFFFAOYSA-N 1 0 308.429 3.651 20 10 DHCDRO C[C@@H](c1ccco1)N(C)Cc1c(O)cccc1Br ZINC000862219498 1033784642 /nfs/dbraw/zinc/78/46/42/1033784642.db2.gz HMQCHDMDYWHQLT-JTQLQIEISA-N 1 0 310.191 3.941 20 10 DHCDRO CSCC[C@@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000862246744 1033792842 /nfs/dbraw/zinc/79/28/42/1033792842.db2.gz BZRLLPAGWQFHHH-SNVBAGLBSA-N 1 0 318.280 3.728 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000862275325 1033806581 /nfs/dbraw/zinc/80/65/81/1033806581.db2.gz QWTBREFGUIMMKY-KBPBESRZSA-N 1 0 324.415 3.608 20 10 DHCDRO CN(C)c1cc(F)c(CN2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000862347587 1033822320 /nfs/dbraw/zinc/82/23/20/1033822320.db2.gz HODHXHAOXCJMER-JTQLQIEISA-N 1 0 322.321 3.805 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927131866 1034028777 /nfs/dbraw/zinc/02/87/77/1034028777.db2.gz ZEBMVHVQDFKYHV-UONOGXRCSA-N 1 0 305.418 3.543 20 10 DHCDRO C[N@H+](CCCCCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000175741609 1034041146 /nfs/dbraw/zinc/04/11/46/1034041146.db2.gz XWXKORJNXXOMFF-UHFFFAOYSA-N 1 0 304.478 3.661 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000879649657 1034071751 /nfs/dbraw/zinc/07/17/51/1034071751.db2.gz RTQKCVVDSJJASA-OLZOCXBDSA-N 1 0 316.376 3.518 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(C)cc1 ZINC000879650223 1034075715 /nfs/dbraw/zinc/07/57/15/1034075715.db2.gz QJHDIRWPYGSJEC-PBHICJAKSA-N 1 0 312.413 3.769 20 10 DHCDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000777308243 1034088886 /nfs/dbraw/zinc/08/88/86/1034088886.db2.gz BWXIYSYAIYQLIA-VDZJLULYSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120467 1034118596 /nfs/dbraw/zinc/11/85/96/1034118596.db2.gz DQFDUNOOXGACKG-RDJZCZTQSA-N 1 0 317.816 3.662 20 10 DHCDRO O=C(c1ccncc1)c1ccccc1Nc1ccc2[nH+]ccn2c1 ZINC001174279620 1034242871 /nfs/dbraw/zinc/24/28/71/1034242871.db2.gz DVDGDAFDQDOFAP-UHFFFAOYSA-N 1 0 314.348 3.704 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880321140 1034296648 /nfs/dbraw/zinc/29/66/48/1034296648.db2.gz NLPVEMXXNQXFRJ-OAHLLOKOSA-N 1 0 301.459 3.589 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183345479 1034377709 /nfs/dbraw/zinc/37/77/09/1034377709.db2.gz XOHSTVZLQYGUHD-WMZOPIPTSA-N 1 0 302.462 3.897 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccccc1O ZINC000183382277 1034381267 /nfs/dbraw/zinc/38/12/67/1034381267.db2.gz JBYCQURRSSXYBN-CQSZACIVSA-N 1 0 309.413 3.791 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183448701 1034387331 /nfs/dbraw/zinc/38/73/31/1034387331.db2.gz PWNUROAUNBZBFZ-AWEZNQCLSA-N 1 0 300.402 3.817 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000183513224 1034393230 /nfs/dbraw/zinc/39/32/30/1034393230.db2.gz NXPQUYMAZKUNKS-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183512924 1034393796 /nfs/dbraw/zinc/39/37/96/1034393796.db2.gz ZJBNOQFXDPKUKP-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183501864 1034394967 /nfs/dbraw/zinc/39/49/67/1034394967.db2.gz NFKYPOBIUYLBIK-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183518134 1034395617 /nfs/dbraw/zinc/39/56/17/1034395617.db2.gz SOFOLKSRIJLRLL-KUHUBIRLSA-N 1 0 315.413 3.564 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794801104 1034473138 /nfs/dbraw/zinc/47/31/38/1034473138.db2.gz HCVDLHFLEAMGPV-QGZVFWFLSA-N 1 0 303.377 3.959 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Br)cc1O ZINC000184845971 1034504183 /nfs/dbraw/zinc/50/41/83/1034504183.db2.gz KLWOQJWIARPEAX-MNOVXSKESA-N 1 0 321.218 3.962 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794809712 1034509078 /nfs/dbraw/zinc/50/90/78/1034509078.db2.gz IROIVKPDQKXPAB-QRTARXTBSA-N 1 0 303.402 3.847 20 10 DHCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000185002080 1034518346 /nfs/dbraw/zinc/51/83/46/1034518346.db2.gz QUOUMHNBAZCFCK-CHWSQXEVSA-N 1 0 313.445 3.725 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1O ZINC000794813441 1034519607 /nfs/dbraw/zinc/51/96/07/1034519607.db2.gz DSFREBNJLXUIQD-OALUTQOASA-N 1 0 310.441 3.928 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000184984344 1034519714 /nfs/dbraw/zinc/51/97/14/1034519714.db2.gz PUJSEVILVFAFJC-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c(O)c1 ZINC000185046299 1034525120 /nfs/dbraw/zinc/52/51/20/1034525120.db2.gz CIOHDPXLNJACRQ-CQSZACIVSA-N 1 0 300.402 3.734 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815846 1034526774 /nfs/dbraw/zinc/52/67/74/1034526774.db2.gz PTMFGOAUFUWNCX-GXTWGEPZSA-N 1 0 305.340 3.709 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000185548179 1034557705 /nfs/dbraw/zinc/55/77/05/1034557705.db2.gz LCDQWQPRTYHNLP-WBMJQRKESA-N 1 0 319.401 3.595 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000185548461 1034557848 /nfs/dbraw/zinc/55/78/48/1034557848.db2.gz WAFKCFGQRQOVIN-XJKSGUPXSA-N 1 0 303.402 3.894 20 10 DHCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000794834042 1034565332 /nfs/dbraw/zinc/56/53/32/1034565332.db2.gz WPQPONMEAHMAQU-HUUCEWRRSA-N 1 0 300.446 3.926 20 10 DHCDRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000185739061 1034569757 /nfs/dbraw/zinc/56/97/57/1034569757.db2.gz ZFFVSBSMLMTRBH-OFQRWUPVSA-N 1 0 317.404 3.737 20 10 DHCDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185840663 1034580253 /nfs/dbraw/zinc/58/02/53/1034580253.db2.gz KEXDXIKBPLYUFZ-ZIBATOQPSA-N 1 0 309.406 3.756 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1 ZINC000186040899 1034592392 /nfs/dbraw/zinc/59/23/92/1034592392.db2.gz IWTIEZFFTPMRJJ-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354865 1034624138 /nfs/dbraw/zinc/62/41/38/1034624138.db2.gz FZRQREJQATUFLP-BODMPHMZSA-N 1 0 301.430 3.699 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000186355068 1034624639 /nfs/dbraw/zinc/62/46/39/1034624639.db2.gz JORVAEMCUIDHKX-SIUPPRGNSA-N 1 0 301.430 3.699 20 10 DHCDRO C[N@@H+]1CCC=C(Nc2ccc(CCc3ccc(N)cc3)cc2)C1 ZINC001175580003 1035048899 /nfs/dbraw/zinc/04/88/99/1035048899.db2.gz TWZYMVKHTOOPAY-UHFFFAOYSA-N 1 0 307.441 3.685 20 10 DHCDRO Cc1cc(C[N@H+](C)CCCC(=O)OC(C)(C)C)ccc1N(C)C ZINC001176787596 1035327971 /nfs/dbraw/zinc/32/79/71/1035327971.db2.gz FOHPTXGDTIDYHY-UHFFFAOYSA-N 1 0 320.477 3.615 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)CN2CCC[C@H](C)C2)cc1C ZINC001177476195 1035371209 /nfs/dbraw/zinc/37/12/09/1035371209.db2.gz YXAQIHRHEYPHBL-WMZOPIPTSA-N 1 0 318.505 3.994 20 10 DHCDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483464 1035372646 /nfs/dbraw/zinc/37/26/46/1035372646.db2.gz SRUJNKMBBLPHGA-RTBURBONSA-N 1 0 316.489 3.828 20 10 DHCDRO CCO[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001177967862 1035400241 /nfs/dbraw/zinc/40/02/41/1035400241.db2.gz REEFJFDMFYHNMK-LJQANCHMSA-N 1 0 322.468 3.967 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000773766728 1035443218 /nfs/dbraw/zinc/44/32/18/1035443218.db2.gz UXHKTCCFZNNQKD-LJQANCHMSA-N 1 0 312.461 3.522 20 10 DHCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179082401 1035464588 /nfs/dbraw/zinc/46/45/88/1035464588.db2.gz YICSWRDDOUIDQX-GUYCJALGSA-N 1 0 323.477 3.585 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCCC23COC3)c2ccccc21 ZINC001204242397 1035473646 /nfs/dbraw/zinc/47/36/46/1035473646.db2.gz OYZMKBRTYHTNAX-UHFFFAOYSA-N 1 0 310.441 3.661 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001179521290 1035480747 /nfs/dbraw/zinc/48/07/47/1035480747.db2.gz YGLUWLPCKNKNMP-UEDWGHLCSA-N 1 0 320.436 3.627 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCO1 ZINC001179699752 1035490853 /nfs/dbraw/zinc/49/08/53/1035490853.db2.gz IFGDDVGZHOSMBE-IBGZPJMESA-N 1 0 302.462 3.726 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCO1 ZINC001179699753 1035491114 /nfs/dbraw/zinc/49/11/14/1035491114.db2.gz IFGDDVGZHOSMBE-LJQANCHMSA-N 1 0 302.462 3.726 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773825151 1035498623 /nfs/dbraw/zinc/49/86/23/1035498623.db2.gz WVZXDAQJZAVDIN-OALUTQOASA-N 1 0 316.489 3.781 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1c(C)nn(C)c1C ZINC000773833434 1035511624 /nfs/dbraw/zinc/51/16/24/1035511624.db2.gz DDMJNTTWBRQDDA-SFHVURJKSA-N 1 0 314.477 3.734 20 10 DHCDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001179979268 1035554682 /nfs/dbraw/zinc/55/46/82/1035554682.db2.gz DYYHFWOMZSUPRT-UHFFFAOYSA-N 1 0 315.388 3.878 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC001179967135 1035561709 /nfs/dbraw/zinc/56/17/09/1035561709.db2.gz ZDDICDPVYHSVPS-LJQANCHMSA-N 1 0 316.489 3.966 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1OC ZINC000078913753 1035604940 /nfs/dbraw/zinc/60/49/40/1035604940.db2.gz NZMPYKVTBIJRJH-UHFFFAOYSA-N 1 0 315.413 3.701 20 10 DHCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000905720277 1035624149 /nfs/dbraw/zinc/62/41/49/1035624149.db2.gz CBZGDGVKIUIAQP-INIZCTEOSA-N 1 0 321.424 3.659 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(O)c1 ZINC001180213504 1035624285 /nfs/dbraw/zinc/62/42/85/1035624285.db2.gz VHHNLZUIRGOMFV-INIZCTEOSA-N 1 0 311.381 3.766 20 10 DHCDRO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000905742424 1035639508 /nfs/dbraw/zinc/63/95/08/1035639508.db2.gz QIQQWOIEVUDUQY-GOSISDBHSA-N 1 0 307.397 3.616 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001180359945 1035652561 /nfs/dbraw/zinc/65/25/61/1035652561.db2.gz ZFCFBQARCLSLGW-IEBWSBKVSA-N 1 0 316.489 3.781 20 10 DHCDRO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(O)c1 ZINC001204270335 1035687831 /nfs/dbraw/zinc/68/78/31/1035687831.db2.gz LPRLFPJWWBAIKM-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO Oc1ccc(C[NH+]2CCC(CCc3ccccc3)CC2)c(O)c1 ZINC001204275512 1035729517 /nfs/dbraw/zinc/72/95/17/1035729517.db2.gz UNKWEBVWHRLQIS-UHFFFAOYSA-N 1 0 311.425 3.943 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(Cl)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC001180664781 1035738800 /nfs/dbraw/zinc/73/88/00/1035738800.db2.gz JMBVSLAVSGIJOB-UHFFFAOYSA-N 1 0 320.776 3.979 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000153123706 1035754159 /nfs/dbraw/zinc/75/41/59/1035754159.db2.gz WEWAFTBZWYQIKI-LPHOPBHVSA-N 1 0 302.462 3.897 20 10 DHCDRO Oc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)c(O)c1 ZINC001204279150 1035754497 /nfs/dbraw/zinc/75/44/97/1035754497.db2.gz RPUIKYQFPRYLBK-UHFFFAOYSA-N 1 0 315.388 3.692 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC001181163996 1035863589 /nfs/dbraw/zinc/86/35/89/1035863589.db2.gz VBMCFVUNLOZXRQ-LJQANCHMSA-N 1 0 313.441 3.599 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525780 1035932738 /nfs/dbraw/zinc/93/27/38/1035932738.db2.gz OUHDYXOQJKJFNA-HUUCEWRRSA-N 1 0 323.864 3.993 20 10 DHCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001181526226 1035936293 /nfs/dbraw/zinc/93/62/93/1035936293.db2.gz VKYNBMIHMBVCCT-KGLIPLIRSA-N 1 0 309.837 3.684 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525782 1035936872 /nfs/dbraw/zinc/93/68/72/1035936872.db2.gz OUHDYXOQJKJFNA-LSDHHAIUSA-N 1 0 323.864 3.993 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000226583556 1035974548 /nfs/dbraw/zinc/97/45/48/1035974548.db2.gz OCTWMJUCMKJMSG-CQSZACIVSA-N 1 0 307.365 3.997 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC001181809361 1035998164 /nfs/dbraw/zinc/99/81/64/1035998164.db2.gz YYZWQJKIFJCRMB-FZMZJTMJSA-N 1 0 312.251 3.845 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000227437189 1036084224 /nfs/dbraw/zinc/08/42/24/1036084224.db2.gz XHCMGFXMUAPSMQ-CYBMUJFWSA-N 1 0 322.202 3.915 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000775646536 1036199393 /nfs/dbraw/zinc/19/93/93/1036199393.db2.gz ZHGDHEIBQNIDRP-QGZVFWFLSA-N 1 0 301.361 3.877 20 10 DHCDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000774160084 1036207693 /nfs/dbraw/zinc/20/76/93/1036207693.db2.gz CJSASBIKFCVZMY-GOSISDBHSA-N 1 0 324.380 3.697 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cccc3nccn32)C2CC2)cc1 ZINC000775649881 1036231981 /nfs/dbraw/zinc/23/19/81/1036231981.db2.gz UPQZCSKLGLRPAT-UHFFFAOYSA-N 1 0 320.440 3.565 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)C(C)C)c1 ZINC000775652806 1036243682 /nfs/dbraw/zinc/24/36/82/1036243682.db2.gz UWQYDGGZXDFDHZ-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO COCC[N@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775657322 1036257619 /nfs/dbraw/zinc/25/76/19/1036257619.db2.gz ZGUWZEOVYHPXRR-UHFFFAOYSA-N 1 0 319.832 3.737 20 10 DHCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccccc1 ZINC000775657212 1036258480 /nfs/dbraw/zinc/25/84/80/1036258480.db2.gz YKPVOGMOIKXXBH-HNNXBMFYSA-N 1 0 315.413 3.610 20 10 DHCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2ccoc2)c1O ZINC000775662700 1036287900 /nfs/dbraw/zinc/28/79/00/1036287900.db2.gz GASGMPWJNICINE-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000774379120 1036308058 /nfs/dbraw/zinc/30/80/58/1036308058.db2.gz RWYGORXKFZRVSC-VQIMIIECSA-N 1 0 312.457 3.794 20 10 DHCDRO CCC[N@H+](Cc1nc2c(s1)CCC2)Cc1ccccc1O ZINC000775667490 1036311788 /nfs/dbraw/zinc/31/17/88/1036311788.db2.gz JHVDURBOMASXBK-UHFFFAOYSA-N 1 0 302.443 3.750 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1O ZINC000775669102 1036319638 /nfs/dbraw/zinc/31/96/38/1036319638.db2.gz FIIGROWJQVICEZ-ICSRJNTNSA-N 1 0 311.425 3.789 20 10 DHCDRO CCc1cccc(C[N@H+](CC2CC2)[C@](C)(CC)C(=O)OC)c1O ZINC001182481000 1036367574 /nfs/dbraw/zinc/36/75/74/1036367574.db2.gz YDLNMTZKYHRHSI-LJQANCHMSA-N 1 0 319.445 3.508 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc2ccncc2s1 ZINC001182686184 1036426613 /nfs/dbraw/zinc/42/66/13/1036426613.db2.gz YMPLYMNWRQOHPQ-UHFFFAOYSA-N 1 0 304.802 3.945 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000775686022 1036433581 /nfs/dbraw/zinc/43/35/81/1036433581.db2.gz BOQNBQORWQYEKN-ZDUSSCGKSA-N 1 0 301.361 3.529 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC1(C)C ZINC001182856110 1036470854 /nfs/dbraw/zinc/47/08/54/1036470854.db2.gz SAQJTXIKZHZLKZ-OLMNPRSZSA-N 1 0 302.462 3.688 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001182968710 1036490212 /nfs/dbraw/zinc/49/02/12/1036490212.db2.gz DWPXPQLQMHVDQX-PXAZEXFGSA-N 1 0 313.388 3.760 20 10 DHCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001183065843 1036516066 /nfs/dbraw/zinc/51/60/66/1036516066.db2.gz QGYYDXPAIZHUSI-HKUYNNGSSA-N 1 0 319.445 3.727 20 10 DHCDRO COC1(C)CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000774639563 1036608567 /nfs/dbraw/zinc/60/85/67/1036608567.db2.gz KXPAKGLNDACTBK-UHFFFAOYSA-N 1 0 305.462 3.999 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(Cl)cc1O)[C@H](O)c1ccccc1 ZINC001183498505 1036609277 /nfs/dbraw/zinc/60/92/77/1036609277.db2.gz GGGRWKNAYPMUII-MRXNPFEDSA-N 1 0 305.805 3.647 20 10 DHCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000153523533 1036716657 /nfs/dbraw/zinc/71/66/57/1036716657.db2.gz JJFIFKNJBMLRAP-KRWDZBQOSA-N 1 0 323.436 3.879 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2ccc(F)cc2)c1O ZINC000754727085 1036761196 /nfs/dbraw/zinc/76/11/96/1036761196.db2.gz NTTBUUPRIGDTBX-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000774832205 1037045179 /nfs/dbraw/zinc/04/51/79/1037045179.db2.gz LASAEJNJAWVJLE-XLIONFOSSA-N 1 0 311.425 3.964 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC001198572359 1037061826 /nfs/dbraw/zinc/06/18/26/1037061826.db2.gz FTPYVFALBHFELD-INIZCTEOSA-N 1 0 315.486 3.664 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC001198686054 1037109421 /nfs/dbraw/zinc/10/94/21/1037109421.db2.gz QNUZCXAAZNRGBR-RBUKOAKNSA-N 1 0 302.462 3.595 20 10 DHCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000915793603 1037179439 /nfs/dbraw/zinc/17/94/39/1037179439.db2.gz AMRDKBIZZUXRRM-HNNXBMFYSA-N 1 0 319.445 3.599 20 10 DHCDRO Clc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199000365 1037180826 /nfs/dbraw/zinc/18/08/26/1037180826.db2.gz GZXULYDDMYSQBD-UHFFFAOYSA-N 1 0 317.816 3.834 20 10 DHCDRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199059937 1037190587 /nfs/dbraw/zinc/19/05/87/1037190587.db2.gz JZBMZKZGDREMMC-GOSISDBHSA-N 1 0 317.521 3.887 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000775943469 1037220144 /nfs/dbraw/zinc/22/01/44/1037220144.db2.gz YOJKNDFAHHPLPK-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000776001799 1037295704 /nfs/dbraw/zinc/29/57/04/1037295704.db2.gz BOJIDLZYHNUEFP-IAGOWNOFSA-N 1 0 311.425 3.992 20 10 DHCDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776013175 1037297625 /nfs/dbraw/zinc/29/76/25/1037297625.db2.gz LAINGGNPSGNZGW-IUODEOHRSA-N 1 0 300.368 3.915 20 10 DHCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2c(O)cccc2Cl)C1 ZINC000776005987 1037301092 /nfs/dbraw/zinc/30/10/92/1037301092.db2.gz FRULDVLEYJOUQS-OKILXGFUSA-N 1 0 310.869 3.503 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000776015642 1037307453 /nfs/dbraw/zinc/30/74/53/1037307453.db2.gz WCKRZJFGNVTTQT-YPMHNXCESA-N 1 0 317.351 3.954 20 10 DHCDRO COc1c([O-])c(C[NH2+]CC(C)(C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000775033274 1037443141 /nfs/dbraw/zinc/44/31/41/1037443141.db2.gz LEAJQVFVNVBGLF-UHFFFAOYSA-N 1 0 322.405 3.615 20 10 DHCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152705349 1037519986 /nfs/dbraw/zinc/51/99/86/1037519986.db2.gz KPZXJWRLPLJOPO-CABCVRRESA-N 1 0 308.441 3.892 20 10 DHCDRO CN1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC001203657018 1037609365 /nfs/dbraw/zinc/60/93/65/1037609365.db2.gz BYBXROQHCRTZLO-KRWDZBQOSA-N 1 0 316.832 3.534 20 10 DHCDRO COc1ccccc1OCCC[NH2+]Cc1c(O)cccc1Cl ZINC000776171151 1037674762 /nfs/dbraw/zinc/67/47/62/1037674762.db2.gz YKPSPXHASWWXLR-UHFFFAOYSA-N 1 0 321.804 3.613 20 10 DHCDRO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775131954 1037676025 /nfs/dbraw/zinc/67/60/25/1037676025.db2.gz ZYQLYHWIAMANGX-LLVKDONJSA-N 1 0 301.777 3.544 20 10 DHCDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)CO1 ZINC000924852595 1037687634 /nfs/dbraw/zinc/68/76/34/1037687634.db2.gz HSQIAVNHJAQLDS-PPDQVPDSSA-N 1 0 314.473 3.724 20 10 DHCDRO CCCN(Cc1ccc(-n2ccnc2)cc1)c1ccc(C[NH3+])cc1 ZINC000775151240 1037749804 /nfs/dbraw/zinc/74/98/04/1037749804.db2.gz ZJTQKVKCJASJRB-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151182138 1037750511 /nfs/dbraw/zinc/75/05/11/1037750511.db2.gz KPADLYCHPHCECC-WMZOPIPTSA-N 1 0 304.478 3.735 20 10 DHCDRO CCOCCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001201600918 1037803613 /nfs/dbraw/zinc/80/36/13/1037803613.db2.gz QQRULJFANIYJJZ-UHFFFAOYSA-N 1 0 302.462 3.583 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000154100079 1037819154 /nfs/dbraw/zinc/81/91/54/1037819154.db2.gz PKDZJOUOHORAIY-MSOLQXFVSA-N 1 0 315.461 3.689 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1O ZINC000776219926 1037924056 /nfs/dbraw/zinc/92/40/56/1037924056.db2.gz QSGQKDMFKLBEDW-SFHVURJKSA-N 1 0 321.424 3.508 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000776219878 1037928260 /nfs/dbraw/zinc/92/82/60/1037928260.db2.gz JITGRSFTXWCOSA-UHFFFAOYSA-N 1 0 313.825 3.566 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000776230150 1037971244 /nfs/dbraw/zinc/97/12/44/1037971244.db2.gz HALQVUIEZKHMDP-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000776232152 1038003259 /nfs/dbraw/zinc/00/32/59/1038003259.db2.gz SJQRYVQOHIQJKU-YPMHNXCESA-N 1 0 317.351 3.859 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000163911264 1038024915 /nfs/dbraw/zinc/02/49/15/1038024915.db2.gz ZQFRXKYBDKYAKV-UHFFFAOYSA-N 1 0 307.340 3.619 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000776253671 1038072743 /nfs/dbraw/zinc/07/27/43/1038072743.db2.gz NRNPJNAHZTZIET-KRWDZBQOSA-N 1 0 316.832 3.630 20 10 DHCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000164195465 1038103990 /nfs/dbraw/zinc/10/39/90/1038103990.db2.gz OOEAZNMXFKJLII-HNNXBMFYSA-N 1 0 320.452 3.772 20 10 DHCDRO CC[N@H+](CCCc1ccc(C)nc1)Cc1ccc(N(C)C)cc1 ZINC000776263374 1038116054 /nfs/dbraw/zinc/11/60/54/1038116054.db2.gz BCEWYTDSOKEBIY-UHFFFAOYSA-N 1 0 311.473 3.911 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000156467715 1038121525 /nfs/dbraw/zinc/12/15/25/1038121525.db2.gz STGVCEYUBDFJQI-MRXNPFEDSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1O ZINC000156571339 1038140116 /nfs/dbraw/zinc/14/01/16/1038140116.db2.gz FSDLDKOTKAJXKD-QGZVFWFLSA-N 1 0 318.461 3.520 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1O ZINC000164473486 1038203009 /nfs/dbraw/zinc/20/30/09/1038203009.db2.gz MIKWNZJYNUCDAF-HOCLYGCPSA-N 1 0 307.459 3.569 20 10 DHCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164595945 1038231716 /nfs/dbraw/zinc/23/17/16/1038231716.db2.gz GEXFHBNDXUBZEU-INIZCTEOSA-N 1 0 319.445 3.564 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000775365149 1038275315 /nfs/dbraw/zinc/27/53/15/1038275315.db2.gz UUMCYHTWWQZTNB-OAHLLOKOSA-N 1 0 320.440 3.994 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)ccc2OC)c1 ZINC000775375154 1038304136 /nfs/dbraw/zinc/30/41/36/1038304136.db2.gz JBBMIEZLFFSEQC-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001190436877 1038314979 /nfs/dbraw/zinc/31/49/79/1038314979.db2.gz NEQHTNCQBCSMSK-PMACEKPBSA-N 1 0 316.489 3.921 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCc2cccnc2)C2CC2)cc1 ZINC001190437194 1038317877 /nfs/dbraw/zinc/31/78/77/1038317877.db2.gz UKEQLQGHXXLNCH-UHFFFAOYSA-N 1 0 309.457 3.745 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775507056 1038598136 /nfs/dbraw/zinc/59/81/36/1038598136.db2.gz GWIYHKRQOJCGML-DOTOQJQBSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000775503670 1038598358 /nfs/dbraw/zinc/59/83/58/1038598358.db2.gz LZIQBYXFPHVROO-GOEBONIOSA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775507939 1038599092 /nfs/dbraw/zinc/59/90/92/1038599092.db2.gz PTAXHTFHFCRDQX-RNODOKPDSA-N 1 0 317.882 3.634 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1O ZINC000775525911 1038652992 /nfs/dbraw/zinc/65/29/92/1038652992.db2.gz OTMHKLFKBBPQGP-XNISGKROSA-N 1 0 309.500 3.813 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760896620 1039037369 /nfs/dbraw/zinc/03/73/69/1039037369.db2.gz HIHKIHBKKHEVFE-GOSISDBHSA-N 1 0 322.456 3.880 20 10 DHCDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000157924325 1039684714 /nfs/dbraw/zinc/68/47/14/1039684714.db2.gz WRQJKWYGDPFYSR-LBPRGKRZSA-N 1 0 303.475 3.719 20 10 DHCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000230698481 1039958735 /nfs/dbraw/zinc/95/87/35/1039958735.db2.gz AZPGBVUPLYDSDS-VXGBXAGGSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(C)(C)C ZINC000227120956 1040089115 /nfs/dbraw/zinc/08/91/15/1040089115.db2.gz VPLWSQHFUDLYMF-JTQLQIEISA-N 1 0 300.240 3.927 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccsc1 ZINC000227436063 1040263374 /nfs/dbraw/zinc/26/33/74/1040263374.db2.gz SOAJAQPRVMRDNJ-UHFFFAOYSA-N 1 0 312.232 3.549 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000761183842 1040476592 /nfs/dbraw/zinc/47/65/92/1040476592.db2.gz BPRDJAXHQGGPGV-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO COc1ccccc1C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000761226938 1040820928 /nfs/dbraw/zinc/82/09/28/1040820928.db2.gz SQLGMVWEFGUDIU-UHFFFAOYSA-N 1 0 315.388 3.751 20 10 DHCDRO CCOCc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083551676 192372296 /nfs/dbraw/zinc/37/22/96/192372296.db2.gz MYNRNCVHEAEESP-UHFFFAOYSA-N 1 0 305.805 3.872 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000093365101 193239550 /nfs/dbraw/zinc/23/95/50/193239550.db2.gz CUCQKHFATGSUFT-AWEZNQCLSA-N 1 0 318.442 3.675 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)c1O ZINC000272217090 130008917 /nfs/dbraw/zinc/00/89/17/130008917.db2.gz DEKHVNBRARDYBC-OAHLLOKOSA-N 1 0 319.401 3.560 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c(O)c1C ZINC000273297219 130103670 /nfs/dbraw/zinc/10/36/70/130103670.db2.gz AIKJDBBRBVOQRO-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(F)ccc1O ZINC000273405870 130117340 /nfs/dbraw/zinc/11/73/40/130117340.db2.gz OIZICCNWZKPEHP-XHDPSFHLSA-N 1 0 308.422 3.546 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1C ZINC000273423064 130119539 /nfs/dbraw/zinc/11/95/39/130119539.db2.gz SNFDHOYVPKKCIM-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273452855 130123941 /nfs/dbraw/zinc/12/39/41/130123941.db2.gz GKHYSHRBVMPBCK-OFQRWUPVSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc2c(cc1O)CCCC2 ZINC000273527081 130132079 /nfs/dbraw/zinc/13/20/79/130132079.db2.gz VNHPKJGONPXUMW-PXAZEXFGSA-N 1 0 311.429 3.722 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273532210 130133339 /nfs/dbraw/zinc/13/33/39/130133339.db2.gz WRQGGUPRQUMEHZ-QLFBSQMISA-N 1 0 303.446 3.737 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563839 130137479 /nfs/dbraw/zinc/13/74/79/130137479.db2.gz IVZPOJOTDOYPMB-GOEBONIOSA-N 1 0 303.402 3.949 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)cn2c1 ZINC000273590422 130142200 /nfs/dbraw/zinc/14/22/00/130142200.db2.gz OZNIWALYOWYGNB-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1C ZINC000273598736 130142520 /nfs/dbraw/zinc/14/25/20/130142520.db2.gz RNGOZXZTBHWQFM-OAHLLOKOSA-N 1 0 312.413 3.688 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273608743 130142867 /nfs/dbraw/zinc/14/28/67/130142867.db2.gz VCTKPEGUWMVMMS-KGLIPLIRSA-N 1 0 324.424 3.631 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cc(Br)ccc1O ZINC000273621539 130145360 /nfs/dbraw/zinc/14/53/60/130145360.db2.gz ZFAIVLGIQRLRRH-ONGXEEELSA-N 1 0 316.264 3.701 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CCO2 ZINC000274387720 130231277 /nfs/dbraw/zinc/23/12/77/130231277.db2.gz NVYKXVPDJGBYSE-GUYCJALGSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccccc1O ZINC000274958733 130276700 /nfs/dbraw/zinc/27/67/00/130276700.db2.gz WJVQVWZVLUEMPF-IWEFOYFVSA-N 1 0 303.377 3.694 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1O ZINC000280108724 130783398 /nfs/dbraw/zinc/78/33/98/130783398.db2.gz NNLMXBUDLYMQPZ-HNNXBMFYSA-N 1 0 300.358 3.850 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1 ZINC000284069383 131046166 /nfs/dbraw/zinc/04/61/66/131046166.db2.gz LEVCVHYVOZVHME-SUMWQHHRSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000285237131 131150501 /nfs/dbraw/zinc/15/05/01/131150501.db2.gz PMDHHEBQAPJTHT-DAYGRLMNSA-N 1 0 321.486 3.714 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000285407181 131165087 /nfs/dbraw/zinc/16/50/87/131165087.db2.gz XMNIHOPMZZZXGR-LLVKDONJSA-N 1 0 323.330 3.577 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000293748314 131764747 /nfs/dbraw/zinc/76/47/47/131764747.db2.gz NZHZUOFTHMQDTN-MJGOQNOKSA-N 1 0 311.425 3.692 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000297229023 132005136 /nfs/dbraw/zinc/00/51/36/132005136.db2.gz HSTRIKOUSBVDPZ-NEPJUHHUSA-N 1 0 305.340 3.709 20 10 DHCDRO COc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297654492 132027658 /nfs/dbraw/zinc/02/76/58/132027658.db2.gz KIUWENWKYJZKKW-CQSZACIVSA-N 1 0 303.789 3.831 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000297863975 132037147 /nfs/dbraw/zinc/03/71/47/132037147.db2.gz UEHBYKVZNVMTDU-LSDHHAIUSA-N 1 0 301.386 3.512 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000119637841 132134730 /nfs/dbraw/zinc/13/47/30/132134730.db2.gz ZPZAFFGSRQISAR-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO C[C@H]([NH2+]C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551022 134648060 /nfs/dbraw/zinc/64/80/60/134648060.db2.gz RZKWWJMJEZAOEP-AWEZNQCLSA-N 1 0 306.425 3.646 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1O ZINC000294090021 335120311 /nfs/dbraw/zinc/12/03/11/335120311.db2.gz ZMMMILUZLNYRRJ-IBGZPJMESA-N 1 0 311.425 3.694 20 10 DHCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294305041 335120813 /nfs/dbraw/zinc/12/08/13/335120813.db2.gz QCUKOKKOQYVGAI-SNVBAGLBSA-N 1 0 309.768 3.528 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000185405103 333208361 /nfs/dbraw/zinc/20/83/61/333208361.db2.gz SGAVBXPXZOUWII-UONOGXRCSA-N 1 0 313.397 3.618 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185605705 333370431 /nfs/dbraw/zinc/37/04/31/333370431.db2.gz OXZNEEIXSDTLSY-GJZGRUSLSA-N 1 0 301.430 3.995 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)c1O ZINC000296042275 335140784 /nfs/dbraw/zinc/14/07/84/335140784.db2.gz OCCYZBOOTIJGOY-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296643799 335145361 /nfs/dbraw/zinc/14/53/61/335145361.db2.gz YGEJPOWYSHNUIY-INMHGKMJSA-N 1 0 320.452 3.628 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)c2ccccc2)cc1OC ZINC000271913615 334028764 /nfs/dbraw/zinc/02/87/64/334028764.db2.gz YNCNGCBZBCTIDR-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000282801631 334137297 /nfs/dbraw/zinc/13/72/97/334137297.db2.gz RZLQSWHXQQVJKO-HNNXBMFYSA-N 1 0 309.837 3.793 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(F)ccc1O ZINC000289802815 334167904 /nfs/dbraw/zinc/16/79/04/334167904.db2.gz OBICEHQREPUDFK-DIFFPNOSSA-N 1 0 321.417 3.732 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367056900 335607495 /nfs/dbraw/zinc/60/74/95/335607495.db2.gz CVTODJYPRWSQQX-WMLDXEAASA-N 1 0 312.413 3.612 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000192915844 336284299 /nfs/dbraw/zinc/28/42/99/336284299.db2.gz XIRCCXZTWIGWEO-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccccc1C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000361269112 336747887 /nfs/dbraw/zinc/74/78/87/336747887.db2.gz PGRRFBSKQMLCRM-UHFFFAOYSA-N 1 0 309.409 3.666 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)c1 ZINC000362035639 336782746 /nfs/dbraw/zinc/78/27/46/336782746.db2.gz DHYWPXXCMTWYSY-SUMWQHHRSA-N 1 0 303.427 3.530 20 10 DHCDRO CCOC(=O)C1(C)CC[NH+]([C@H](CC)c2ccccc2O)CC1 ZINC000368808912 336853088 /nfs/dbraw/zinc/85/30/88/336853088.db2.gz DDXGPMFIYQLYSJ-OAHLLOKOSA-N 1 0 305.418 3.509 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000371869748 336915225 /nfs/dbraw/zinc/91/52/25/336915225.db2.gz KEOUWNQXRLDQCK-GUYCJALGSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c(O)c1 ZINC000373253502 336954530 /nfs/dbraw/zinc/95/45/30/336954530.db2.gz ANRRJVUWVPUHED-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccccc1O ZINC000373461062 336961191 /nfs/dbraw/zinc/96/11/91/336961191.db2.gz UFJOVAUYZZABLF-JKSUJKDBSA-N 1 0 313.397 3.965 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305750356 337035542 /nfs/dbraw/zinc/03/55/42/337035542.db2.gz ZHUKPQQIOQOBHJ-SJLPKXTDSA-N 1 0 315.413 3.854 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(c2ccnn2CC)CC1 ZINC000377618269 337056331 /nfs/dbraw/zinc/05/63/31/337056331.db2.gz CAIXNOHKWBJTMS-KRWDZBQOSA-N 1 0 313.445 3.939 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377624131 337056667 /nfs/dbraw/zinc/05/66/67/337056667.db2.gz GFPAGTLFAJWMSD-SFHVURJKSA-N 1 0 311.429 3.815 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377629787 337056800 /nfs/dbraw/zinc/05/68/00/337056800.db2.gz QAIKDMHZHRRLTH-UHFFFAOYSA-N 1 0 317.820 3.517 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377696814 337058932 /nfs/dbraw/zinc/05/89/32/337058932.db2.gz NPQSZUCXRLMYQA-AYBZRNKSSA-N 1 0 319.445 3.503 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000377869623 337063019 /nfs/dbraw/zinc/06/30/19/337063019.db2.gz PYPQBBGZXFFSEP-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000378637690 337077279 /nfs/dbraw/zinc/07/72/79/337077279.db2.gz ODZVTVJMTMIHIA-CQSZACIVSA-N 1 0 302.805 3.505 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000179553146 337170071 /nfs/dbraw/zinc/17/00/71/337170071.db2.gz BWIYZWBRFOETDP-UHFFFAOYSA-N 1 0 308.381 3.913 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000179938102 337172723 /nfs/dbraw/zinc/17/27/23/337172723.db2.gz FSQOPVMUSGYYTF-CQSZACIVSA-N 1 0 305.809 3.804 20 10 DHCDRO CN1CCc2cc(C[NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)ccc21 ZINC000192374395 337304786 /nfs/dbraw/zinc/30/47/86/337304786.db2.gz UVPLJCFBVIFSOM-FPOVZHCZSA-N 1 0 322.452 3.546 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192376101 337304883 /nfs/dbraw/zinc/30/48/83/337304883.db2.gz JEUDGRUSFGHTOH-KSSFIOAISA-N 1 0 317.816 3.913 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121199857 337396256 /nfs/dbraw/zinc/39/62/56/337396256.db2.gz YVKLKACWTRLNDQ-OAHLLOKOSA-N 1 0 307.397 3.648 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c(O)c1 ZINC000359972215 337441126 /nfs/dbraw/zinc/44/11/26/337441126.db2.gz FHNZOSCKNAUXMR-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C2CC2)cn1 ZINC000528043821 337785642 /nfs/dbraw/zinc/78/56/42/337785642.db2.gz QIFWZUYQKVJXGM-ORAYPTAESA-N 1 0 312.413 3.906 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCOCC1 ZINC000530360351 340789294 /nfs/dbraw/zinc/78/92/94/340789294.db2.gz MLMKAQDJWIHLLD-QGZVFWFLSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000551281822 341337003 /nfs/dbraw/zinc/33/70/03/341337003.db2.gz JFDASJHIRIETKC-HNNXBMFYSA-N 1 0 318.424 3.985 20 10 DHCDRO CCCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(O)c1 ZINC000188268992 520348609 /nfs/dbraw/zinc/34/86/09/520348609.db2.gz MNCMWGOTXOOCBF-IBGZPJMESA-N 1 0 319.445 3.572 20 10 DHCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179288 520630688 /nfs/dbraw/zinc/63/06/88/520630688.db2.gz RZULGWVDCYQGTM-OLZOCXBDSA-N 1 0 314.420 3.832 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000174536263 520667955 /nfs/dbraw/zinc/66/79/55/520667955.db2.gz REXCNXMXUUCDNA-QRVBRYPASA-N 1 0 314.473 3.580 20 10 DHCDRO CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000267836260 520733059 /nfs/dbraw/zinc/73/30/59/520733059.db2.gz YNAUWXBMAQLTJV-UHFFFAOYSA-N 1 0 311.425 3.966 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(SCC)c2)c1 ZINC000189594042 521152444 /nfs/dbraw/zinc/15/24/44/521152444.db2.gz NVQHQMLFMANXHY-UHFFFAOYSA-N 1 0 318.442 3.588 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000364998495 521353971 /nfs/dbraw/zinc/35/39/71/521353971.db2.gz FVRDDBDVJGXKQN-INIZCTEOSA-N 1 0 312.413 3.695 20 10 DHCDRO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccccc1O ZINC000288436497 534588290 /nfs/dbraw/zinc/58/82/90/534588290.db2.gz LLNRFTTUJISEJV-UHFFFAOYSA-N 1 0 314.429 3.892 20 10 DHCDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000157069755 522285880 /nfs/dbraw/zinc/28/58/80/522285880.db2.gz PXLJAWRXJSJJHZ-CYBMUJFWSA-N 1 0 303.475 3.665 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268982724 522630717 /nfs/dbraw/zinc/63/07/17/522630717.db2.gz DOJOBVJHEUSRMV-IRXDYDNUSA-N 1 0 304.459 3.588 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000156231583 522632370 /nfs/dbraw/zinc/63/23/70/522632370.db2.gz VUESBMJBWKSLIM-CJNGLKHVSA-N 1 0 310.397 3.559 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccccc1O ZINC000156408760 522705874 /nfs/dbraw/zinc/70/58/74/522705874.db2.gz VWINWMIWAZZQSK-ROUUACIJSA-N 1 0 315.413 3.565 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000155864510 522746598 /nfs/dbraw/zinc/74/65/98/522746598.db2.gz RMIZYWDCSMQJAV-YJBOKZPZSA-N 1 0 324.424 3.518 20 10 DHCDRO COCCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178107048 523178123 /nfs/dbraw/zinc/17/81/23/523178123.db2.gz GKPGZYVSITUGME-OAHLLOKOSA-N 1 0 308.441 3.893 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1O ZINC000181128382 524433173 /nfs/dbraw/zinc/43/31/73/524433173.db2.gz BIBFPWZQJSOXLM-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1O ZINC000181376493 524435455 /nfs/dbraw/zinc/43/54/55/524435455.db2.gz KPHGZYRNZPQTMY-INIZCTEOSA-N 1 0 303.402 3.797 20 10 DHCDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000266968518 525167069 /nfs/dbraw/zinc/16/70/69/525167069.db2.gz NCLFGYUDONSTSL-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000266592087 525446691 /nfs/dbraw/zinc/44/66/91/525446691.db2.gz NHTBDSKCYFWFBV-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191193014 525457159 /nfs/dbraw/zinc/45/71/59/525457159.db2.gz UKDLHEXDDOLJHB-LBPRGKRZSA-N 1 0 320.383 3.583 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1O ZINC000157591620 525508178 /nfs/dbraw/zinc/50/81/78/525508178.db2.gz ZMUDOIZLLBGOSK-PXAZEXFGSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1O ZINC000186355221 525590786 /nfs/dbraw/zinc/59/07/86/525590786.db2.gz PLYMYSPTHOBIDY-BHADISHBSA-N 1 0 305.393 3.530 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960253 525625048 /nfs/dbraw/zinc/62/50/48/525625048.db2.gz FNLZTRDQGFLKHP-UZLBHIALSA-N 1 0 312.457 3.917 20 10 DHCDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266159546 525708401 /nfs/dbraw/zinc/70/84/01/525708401.db2.gz NELKVUUVXVGMSN-HNNXBMFYSA-N 1 0 313.441 3.946 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cnn1C(C)C ZINC000191240327 525920841 /nfs/dbraw/zinc/92/08/41/525920841.db2.gz BHSZHUPRLHQIMG-ZDUSSCGKSA-N 1 0 318.440 3.828 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1O ZINC000367718814 526032327 /nfs/dbraw/zinc/03/23/27/526032327.db2.gz GDQRSRGIYRWIJH-RHSMWYFYSA-N 1 0 312.413 3.612 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000165950665 526032681 /nfs/dbraw/zinc/03/26/81/526032681.db2.gz QCNMKFNLSLFEGX-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c2n1CCCC2 ZINC000364902935 526893013 /nfs/dbraw/zinc/89/30/13/526893013.db2.gz DSUBVBARXRUGQV-CQSZACIVSA-N 1 0 313.445 3.701 20 10 DHCDRO CC1(CO)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000273826128 535162033 /nfs/dbraw/zinc/16/20/33/535162033.db2.gz DYDZNZJMFLQDCA-UHFFFAOYSA-N 1 0 311.425 3.654 20 10 DHCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297534147 535492488 /nfs/dbraw/zinc/49/24/88/535492488.db2.gz PKVGKLYRVXAENR-MRXNPFEDSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120287591 535805962 /nfs/dbraw/zinc/80/59/62/535805962.db2.gz KFHOVRLZNBCWFE-GOSISDBHSA-N 1 0 313.401 3.902 20 10 DHCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273620008 535981650 /nfs/dbraw/zinc/98/16/50/535981650.db2.gz YTDNLUGIOWKLEY-LMGVVVSRSA-N 1 0 323.502 3.739 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2CCC(OC(C)C)CC2)c1O ZINC000894356160 1013073321 /nfs/dbraw/zinc/07/33/21/1013073321.db2.gz HTCVQJOOLXFRDR-UHFFFAOYSA-N 1 0 307.434 3.535 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000293872249 1013113723 /nfs/dbraw/zinc/11/37/23/1013113723.db2.gz YHNOYOXRZZUIOD-ZDUSSCGKSA-N 1 0 301.434 3.852 20 10 DHCDRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167107636 1013148402 /nfs/dbraw/zinc/14/84/02/1013148402.db2.gz FPXJDDRKZQCFRH-NRFANRHFSA-N 1 0 324.468 3.759 20 10 DHCDRO CCn1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000155247645 1013323988 /nfs/dbraw/zinc/32/39/88/1013323988.db2.gz UQAOSBQSDYQGHI-UHFFFAOYSA-N 1 0 312.461 3.525 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2CCC(CSC)CC2)c1O ZINC000894881461 1013584728 /nfs/dbraw/zinc/58/47/28/1013584728.db2.gz PHYQBQGATXBSKE-UHFFFAOYSA-N 1 0 309.475 3.721 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1O ZINC000894907935 1013728003 /nfs/dbraw/zinc/72/80/03/1013728003.db2.gz AMEDRIOXOPCHDC-AWEZNQCLSA-N 1 0 318.244 3.773 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167311544 1013802989 /nfs/dbraw/zinc/80/29/89/1013802989.db2.gz PPWSJWCDRSNABE-UHFFFAOYSA-N 1 0 316.408 3.892 20 10 DHCDRO CCOC[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000177635328 1013828864 /nfs/dbraw/zinc/82/88/64/1013828864.db2.gz RDVUWPSOAMDBNZ-HNNXBMFYSA-N 1 0 305.462 3.857 20 10 DHCDRO C[N@H+](CCCNCc1c(O)cccc1Cl)C1CCCCC1 ZINC000083551655 1013985463 /nfs/dbraw/zinc/98/54/63/1013985463.db2.gz RRNHMOPOWSRQCF-UHFFFAOYSA-N 1 0 310.869 3.790 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000160442480 1014072117 /nfs/dbraw/zinc/07/21/17/1014072117.db2.gz XXPBTRPLAXCLIU-POAQFYNOSA-N 1 0 316.489 3.879 20 10 DHCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@H](CCO)c1ccccc1 ZINC000126893495 1014501706 /nfs/dbraw/zinc/50/17/06/1014501706.db2.gz IGXZMIUBYJHTKF-MRXNPFEDSA-N 1 0 305.805 3.601 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895580520 1015216211 /nfs/dbraw/zinc/21/62/11/1015216211.db2.gz BLOKHZOLUPQEBV-MJSXRHKHSA-N 1 0 313.470 3.712 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788066 1015302596 /nfs/dbraw/zinc/30/25/96/1015302596.db2.gz FFQJGZCHQYRACL-NHYWBVRUSA-N 1 0 315.335 3.565 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000895856387 1015333943 /nfs/dbraw/zinc/33/39/43/1015333943.db2.gz YSXBAPIWVVIMCZ-HNNXBMFYSA-N 1 0 321.779 3.970 20 10 DHCDRO CCN(CC)c1ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000320246195 1015468411 /nfs/dbraw/zinc/46/84/11/1015468411.db2.gz ZHRPBUUHLFQNHU-FQEVSTJZSA-N 1 0 317.521 3.743 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(N2CCCC2)n1 ZINC000783533702 1015488112 /nfs/dbraw/zinc/48/81/12/1015488112.db2.gz VKKBZZFAUHKXAY-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCCCC2)cc1 ZINC000178309823 1015585543 /nfs/dbraw/zinc/58/55/43/1015585543.db2.gz ANTMTNGGRQEDPJ-AXUOBQJMSA-N 1 0 300.446 3.647 20 10 DHCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000780497582 1015782051 /nfs/dbraw/zinc/78/20/51/1015782051.db2.gz MJXDYHLAOBZIFR-OAHLLOKOSA-N 1 0 317.351 3.552 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1F ZINC000281006613 1015819120 /nfs/dbraw/zinc/81/91/20/1015819120.db2.gz WJOMBVHSGATJFR-UHFFFAOYSA-N 1 0 318.440 3.739 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c1 ZINC000184967747 1016468560 /nfs/dbraw/zinc/46/85/60/1016468560.db2.gz QWOUFQVSXQFPNJ-MRXNPFEDSA-N 1 0 321.424 3.780 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000184963535 1016468918 /nfs/dbraw/zinc/46/89/18/1016468918.db2.gz BMDOPFMDXYUODT-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000185032456 1016504855 /nfs/dbraw/zinc/50/48/55/1016504855.db2.gz XHICAHRVYVXMRX-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO C[C@H]([NH2+]CCCOCCc1ccccc1)c1cc(F)ccc1O ZINC000185080775 1016535334 /nfs/dbraw/zinc/53/53/34/1016535334.db2.gz QBCPSHIXXRDEHC-HNNXBMFYSA-N 1 0 317.404 3.831 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c(O)c1 ZINC000185091725 1016548840 /nfs/dbraw/zinc/54/88/40/1016548840.db2.gz QJGISTZSNSJANB-AEFFLSMTSA-N 1 0 312.457 3.524 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079791 1016545661 /nfs/dbraw/zinc/54/56/61/1016545661.db2.gz LBCACYGIKWOJOG-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC000185165476 1016690648 /nfs/dbraw/zinc/69/06/48/1016690648.db2.gz MMTKAODPCWMXAK-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO CC(C)Oc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000113323152 1016905664 /nfs/dbraw/zinc/90/56/64/1016905664.db2.gz DXEHXKCSOYCXFO-UHFFFAOYSA-N 1 0 306.793 3.518 20 10 DHCDRO CCc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000108927903 1016908183 /nfs/dbraw/zinc/90/81/83/1016908183.db2.gz GMCWJILSJOGRHX-UONOGXRCSA-N 1 0 305.462 3.861 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000072925107 1016996458 /nfs/dbraw/zinc/99/64/58/1016996458.db2.gz JGQIUEXZDFFMTJ-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)c1 ZINC000185555845 1017002985 /nfs/dbraw/zinc/00/29/85/1017002985.db2.gz ZRGFXVDZEHLXMN-QWHCGFSZSA-N 1 0 305.443 3.992 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(C)c2)c1 ZINC000185568550 1017014178 /nfs/dbraw/zinc/01/41/78/1017014178.db2.gz DRSZVIMOPYKELX-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1 ZINC000185576244 1017020641 /nfs/dbraw/zinc/02/06/41/1017020641.db2.gz WFQSPAWNOPFDQW-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185574745 1017025210 /nfs/dbraw/zinc/02/52/10/1017025210.db2.gz BAZMTISYEHKMMK-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185579952 1017030542 /nfs/dbraw/zinc/03/05/42/1017030542.db2.gz MIUVIYQNSQWBBU-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000192790257 1017059909 /nfs/dbraw/zinc/05/99/09/1017059909.db2.gz VRGYJTJUVVJVSJ-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000934560216 1017065264 /nfs/dbraw/zinc/06/52/64/1017065264.db2.gz BWLKVMLLLHOFJY-HNNXBMFYSA-N 1 0 313.445 3.851 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660510 1017076474 /nfs/dbraw/zinc/07/64/74/1017076474.db2.gz TWPAHQRLDRTZAG-CYBMUJFWSA-N 1 0 322.449 3.655 20 10 DHCDRO C[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1O ZINC000091956806 1032466057 /nfs/dbraw/zinc/46/60/57/1032466057.db2.gz XLZWAFDNWBNICX-UHFFFAOYSA-N 1 0 311.360 3.553 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000185672282 1017091579 /nfs/dbraw/zinc/09/15/79/1017091579.db2.gz CJEOJMHLHDMPBJ-OFQRWUPVSA-N 1 0 310.441 3.821 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012205 1032527237 /nfs/dbraw/zinc/52/72/37/1032527237.db2.gz VXIYJHAJMDFLQB-RTBURBONSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1ccc(N(C)C)cc1 ZINC000773043176 1032537344 /nfs/dbraw/zinc/53/73/44/1032537344.db2.gz MAJOPVUQEKYWBO-GOSISDBHSA-N 1 0 312.461 3.609 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNc2cccc(C)n2)cc1 ZINC000773043897 1032538750 /nfs/dbraw/zinc/53/87/50/1032538750.db2.gz NMSQTTXCDTUIND-MRXNPFEDSA-N 1 0 312.461 3.609 20 10 DHCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773047403 1032540433 /nfs/dbraw/zinc/54/04/33/1032540433.db2.gz PHESUPGLLNXOBL-WDYCEAGBSA-N 1 0 304.478 3.854 20 10 DHCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773052202 1032542092 /nfs/dbraw/zinc/54/20/92/1032542092.db2.gz WZIYGHHGYXCXPS-CJNGLKHVSA-N 1 0 304.459 3.507 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(N(C)C)cc1 ZINC000773065744 1032545504 /nfs/dbraw/zinc/54/55/04/1032545504.db2.gz QSTKDYDHLNIVPS-VJICWTENSA-N 1 0 306.453 3.989 20 10 DHCDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000773073678 1032549690 /nfs/dbraw/zinc/54/96/90/1032549690.db2.gz ZWJFJLBEMRCJMC-KRWDZBQOSA-N 1 0 316.489 3.880 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000773101317 1032560359 /nfs/dbraw/zinc/56/03/59/1032560359.db2.gz BIBVUVFOVIIMQA-VQIMIIECSA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192851019 1017107921 /nfs/dbraw/zinc/10/79/21/1017107921.db2.gz USTVVTIGGXDYLL-OLZOCXBDSA-N 1 0 313.401 3.603 20 10 DHCDRO Cc1ccc([C@H](C)CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001208170602 1012319852 /nfs/dbraw/zinc/31/98/52/1012319852.db2.gz XVQYQOOGVYTTFS-CYBMUJFWSA-N 1 0 315.413 3.941 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773264112 1032664324 /nfs/dbraw/zinc/66/43/24/1032664324.db2.gz QPXKMCLAXPCERU-IAGOWNOFSA-N 1 0 303.446 3.648 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773264114 1032665490 /nfs/dbraw/zinc/66/54/90/1032665490.db2.gz QPXKMCLAXPCERU-SJORKVTESA-N 1 0 303.446 3.648 20 10 DHCDRO c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000366683291 1012986491 /nfs/dbraw/zinc/98/64/91/1012986491.db2.gz RTPHQMJEXNRCGK-MXVIHJGJSA-N 1 0 322.452 3.559 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC000776967625 1032677881 /nfs/dbraw/zinc/67/78/81/1032677881.db2.gz MMVWXTZIVIKAKR-UHFFFAOYSA-N 1 0 322.452 3.943 20 10 DHCDRO CC[N@H+](CCCC(C)(C)OC(C)=O)Cc1ccc(N(C)C)cc1 ZINC001209157360 1013041560 /nfs/dbraw/zinc/04/15/60/1013041560.db2.gz IYSXYJCNPSJMLG-UHFFFAOYSA-N 1 0 320.477 3.696 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000115629534 1032683270 /nfs/dbraw/zinc/68/32/70/1032683270.db2.gz XMNCMZGVXKSMCM-UHFFFAOYSA-N 1 0 308.425 3.627 20 10 DHCDRO Cc1ccc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1O ZINC001279234307 1017195430 /nfs/dbraw/zinc/19/54/30/1017195430.db2.gz DAMFDTJOIMTVLU-HDICACEKSA-N 1 0 314.473 3.600 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716287107 1032691748 /nfs/dbraw/zinc/69/17/48/1032691748.db2.gz CTVDQSJOAMZWDR-IEBWSBKVSA-N 1 0 310.441 3.707 20 10 DHCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000897301292 1017348575 /nfs/dbraw/zinc/34/85/75/1017348575.db2.gz FPIJBRPIYMQSCD-CQSZACIVSA-N 1 0 302.443 3.530 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933410 1017511292 /nfs/dbraw/zinc/51/12/92/1017511292.db2.gz FHMVQCCLANLFPQ-UHFFFAOYSA-N 1 0 311.473 3.725 20 10 DHCDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178668331 1017652265 /nfs/dbraw/zinc/65/22/65/1017652265.db2.gz JUCFPVUWPZDESE-CABCVRRESA-N 1 0 308.441 3.749 20 10 DHCDRO Fc1cc2c(cc1F)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001171454587 1032715588 /nfs/dbraw/zinc/71/55/88/1032715588.db2.gz VDCMLQKVWFQQRF-INIZCTEOSA-N 1 0 315.363 3.547 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCSCC1 ZINC000186996682 1017766779 /nfs/dbraw/zinc/76/67/79/1017766779.db2.gz DBYFVEYFIAGCAC-HNNXBMFYSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000186143548 1017932789 /nfs/dbraw/zinc/93/27/89/1017932789.db2.gz UBWORYCDCYDUQF-HIFRSBDPSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000122726327 1018011536 /nfs/dbraw/zinc/01/15/36/1018011536.db2.gz PVBGOLWPYKCNIJ-CYBMUJFWSA-N 1 0 303.837 3.694 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000701920907 1018122367 /nfs/dbraw/zinc/12/23/67/1018122367.db2.gz TYMCBAQYNSUCPO-ZFWWWQNUSA-N 1 0 322.449 3.688 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000701921662 1018123326 /nfs/dbraw/zinc/12/33/26/1018123326.db2.gz ZKZKSQXBIYFDIH-KGLIPLIRSA-N 1 0 322.449 3.607 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701921892 1018123706 /nfs/dbraw/zinc/12/37/06/1018123706.db2.gz AOKYGPZUHRSWQC-KGLIPLIRSA-N 1 0 322.449 3.607 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1O ZINC000764111291 1018156994 /nfs/dbraw/zinc/15/69/94/1018156994.db2.gz BNCYGRPNZKHFPD-UHFFFAOYSA-N 1 0 318.442 3.643 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)cnn1C ZINC000263646402 1032746335 /nfs/dbraw/zinc/74/63/35/1032746335.db2.gz BWVIWWIOCHOXQN-AWEZNQCLSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000764434264 1018281179 /nfs/dbraw/zinc/28/11/79/1018281179.db2.gz WBKAZSSEZUXZNW-NHAYFPRASA-N 1 0 316.489 3.999 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)cc1C ZINC000728560337 1018289748 /nfs/dbraw/zinc/28/97/48/1018289748.db2.gz PEPWKAUHPSNJCC-UHFFFAOYSA-N 1 0 322.408 3.889 20 10 DHCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764593728 1018324873 /nfs/dbraw/zinc/32/48/73/1018324873.db2.gz FMJPUCFDCWBUNM-XLIONFOSSA-N 1 0 315.505 3.812 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000764669396 1018343598 /nfs/dbraw/zinc/34/35/98/1018343598.db2.gz NMGHCDRAMZMRDQ-INIZCTEOSA-N 1 0 312.457 3.963 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCC3CCCC3)CC2)cc1 ZINC000764742875 1018359627 /nfs/dbraw/zinc/35/96/27/1018359627.db2.gz CCLQJBTWBRBEQT-UHFFFAOYSA-N 1 0 302.462 3.834 20 10 DHCDRO C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000765102961 1018475722 /nfs/dbraw/zinc/47/57/22/1018475722.db2.gz CZEWPOHPTZEZGA-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO Cc1cc(C[NH2+]Cc2snnc2C)c(C)n1-c1ccccc1 ZINC000384293909 1018475829 /nfs/dbraw/zinc/47/58/29/1018475829.db2.gz WPWYLYGARJNFPZ-UHFFFAOYSA-N 1 0 312.442 3.544 20 10 DHCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000858133384 1032778775 /nfs/dbraw/zinc/77/87/75/1032778775.db2.gz UQDAQQALKHIIAC-MRXNPFEDSA-N 1 0 321.484 3.634 20 10 DHCDRO CC(F)(F)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706831622 1018763161 /nfs/dbraw/zinc/76/31/61/1018763161.db2.gz IQLXLNWEJVSSSE-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000765394102 1018773467 /nfs/dbraw/zinc/77/34/67/1018773467.db2.gz NAUURNUPVFNLJW-KBPBESRZSA-N 1 0 322.880 3.873 20 10 DHCDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000186483282 1018836329 /nfs/dbraw/zinc/83/63/29/1018836329.db2.gz LDLZJWXWKLNTMB-KRWDZBQOSA-N 1 0 316.489 3.880 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000858180068 1032793766 /nfs/dbraw/zinc/79/37/66/1032793766.db2.gz ZXYFSGZZQSWNAU-CQSZACIVSA-N 1 0 317.864 3.830 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000282529644 1018914537 /nfs/dbraw/zinc/91/45/37/1018914537.db2.gz VFCREGWGSMDHEY-KSSFIOAISA-N 1 0 312.461 3.604 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921836642 1018929117 /nfs/dbraw/zinc/92/91/17/1018929117.db2.gz BVENAVJFSPLVDK-SFHVURJKSA-N 1 0 309.409 3.797 20 10 DHCDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000765610954 1019001455 /nfs/dbraw/zinc/00/14/55/1019001455.db2.gz ZLQZUALILISPSZ-LLVKDONJSA-N 1 0 302.443 3.800 20 10 DHCDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000765610669 1019001574 /nfs/dbraw/zinc/00/15/74/1019001574.db2.gz WWPIOACWKZFKNF-AWEZNQCLSA-N 1 0 314.454 3.808 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765665689 1019030146 /nfs/dbraw/zinc/03/01/46/1019030146.db2.gz CCPLRKXXXSCCSL-HNNXBMFYSA-N 1 0 313.445 3.624 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c(O)c1 ZINC000736648076 1019041217 /nfs/dbraw/zinc/04/12/17/1019041217.db2.gz NPEYJBQRDVLERJ-UHFFFAOYSA-N 1 0 320.458 3.889 20 10 DHCDRO CSCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134922377 1019051074 /nfs/dbraw/zinc/05/10/74/1019051074.db2.gz PXULXLQIYSSJDS-VIFPVBQESA-N 1 0 304.253 3.558 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765953761 1019088817 /nfs/dbraw/zinc/08/88/17/1019088817.db2.gz ILJRHPAHRCZOCM-WWNBULGVSA-N 1 0 316.489 3.999 20 10 DHCDRO CN1CCCc2cc(CNCc3nc(C(C)(C)C)co3)ccc21 ZINC000921625265 1019297828 /nfs/dbraw/zinc/29/78/28/1019297828.db2.gz JAMQKKWGIYBCQR-UHFFFAOYSA-N 1 0 313.445 3.644 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@]1(C)O ZINC001143103489 1019370252 /nfs/dbraw/zinc/37/02/52/1019370252.db2.gz DRXWZSIACMJQAK-AUUYWEPGSA-N 1 0 305.462 3.673 20 10 DHCDRO CCCCN(Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000825788850 1032835063 /nfs/dbraw/zinc/83/50/63/1032835063.db2.gz KRGZFVCBFKMYQQ-UHFFFAOYSA-N 1 0 314.433 3.511 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186188871 1019649725 /nfs/dbraw/zinc/64/97/25/1019649725.db2.gz KVEBKNSDNUJDQS-ZAAXVRCTSA-N 1 0 310.441 3.797 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccns2)ccc1OC ZINC000858317377 1032845043 /nfs/dbraw/zinc/84/50/43/1032845043.db2.gz MRBMJVBUMGXEAW-LBPRGKRZSA-N 1 0 306.431 3.539 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc2ccccc2c1O ZINC000186515229 1019768802 /nfs/dbraw/zinc/76/88/02/1019768802.db2.gz JIVPECIXNQQHQS-GUYCJALGSA-N 1 0 311.381 3.913 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C ZINC000765773555 1019860738 /nfs/dbraw/zinc/86/07/38/1019860738.db2.gz DQIAKQULVCUOAB-SJORKVTESA-N 1 0 303.494 3.668 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4cnccc4c3)ccc21 ZINC000785441137 1019892816 /nfs/dbraw/zinc/89/28/16/1019892816.db2.gz IUGBHBCXSCUSLM-UHFFFAOYSA-N 1 0 317.436 3.907 20 10 DHCDRO CCc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000929294496 1020020637 /nfs/dbraw/zinc/02/06/37/1020020637.db2.gz DPAGTVGOEDWDTQ-UHFFFAOYSA-N 1 0 301.434 3.714 20 10 DHCDRO CC(C)[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765991205 1020102686 /nfs/dbraw/zinc/10/26/86/1020102686.db2.gz BMOAHDFFZHDISP-BBRMVZONSA-N 1 0 310.869 3.644 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922681741 1020204940 /nfs/dbraw/zinc/20/49/40/1020204940.db2.gz SHHRWPRMFTTYSR-TVQRCGJNSA-N 1 0 323.742 3.635 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922676489 1020209303 /nfs/dbraw/zinc/20/93/03/1020209303.db2.gz AAWPLTVOHFONRZ-DZGCQCFKSA-N 1 0 317.351 3.593 20 10 DHCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732231455 1020214541 /nfs/dbraw/zinc/21/45/41/1020214541.db2.gz XXQKQRODMCRLCN-FQEVSTJZSA-N 1 0 313.441 3.946 20 10 DHCDRO CC(C)O[C@H]1C[C@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000765806759 1020282349 /nfs/dbraw/zinc/28/23/49/1020282349.db2.gz ZPIDFOYHYHIFTB-STQMWFEESA-N 1 0 314.520 3.807 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c(O)c1 ZINC000922844998 1020306645 /nfs/dbraw/zinc/30/66/45/1020306645.db2.gz JMTQQKYAVFARAX-CQSZACIVSA-N 1 0 307.459 3.699 20 10 DHCDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000732980285 1020309941 /nfs/dbraw/zinc/30/99/41/1020309941.db2.gz WPUUCEUXIGOKSS-LJQANCHMSA-N 1 0 313.397 3.950 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CCCC3)CC2)cc1 ZINC000766006111 1020336854 /nfs/dbraw/zinc/33/68/54/1020336854.db2.gz ZNAZVSKIBQRKRO-OAHLLOKOSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325656 1020372757 /nfs/dbraw/zinc/37/27/57/1020372757.db2.gz ROUYDCFJQBOKJC-ZDUSSCGKSA-N 1 0 304.384 3.752 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000733327437 1020373372 /nfs/dbraw/zinc/37/33/72/1020373372.db2.gz XIPWBDIXXPHDHT-QFBILLFUSA-N 1 0 310.441 3.626 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccccc1O ZINC000858442590 1032897365 /nfs/dbraw/zinc/89/73/65/1032897365.db2.gz KAPUWAICOWTUJT-MJGOQNOKSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000282567553 1020460322 /nfs/dbraw/zinc/46/03/22/1020460322.db2.gz YQEODEMKHNVKMQ-ROUUACIJSA-N 1 0 312.461 3.604 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029519 1020489420 /nfs/dbraw/zinc/48/94/20/1020489420.db2.gz MXMBKFKVPXWLMH-LJQANCHMSA-N 1 0 310.441 3.847 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000529636845 1020504138 /nfs/dbraw/zinc/50/41/38/1020504138.db2.gz JDZDWCRLGPVEPF-UHFFFAOYSA-N 1 0 301.361 3.575 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C(C)C ZINC000765870921 1020537547 /nfs/dbraw/zinc/53/75/47/1020537547.db2.gz ARCSLLAKZSTYQG-IBGZPJMESA-N 1 0 304.478 3.684 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765876999 1020538723 /nfs/dbraw/zinc/53/87/23/1020538723.db2.gz MLCOZAUTGTWIRU-HRAATJIYSA-N 1 0 324.468 3.627 20 10 DHCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CCO)c1ccco1 ZINC001116643934 1020595356 /nfs/dbraw/zinc/59/53/56/1020595356.db2.gz WCJOHJNODTXBIG-MCIONIFRSA-N 1 0 301.386 3.555 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CCc2cccc(F)c2)c1O ZINC000734509028 1020617068 /nfs/dbraw/zinc/61/70/68/1020617068.db2.gz GFXAUTPZBGZTGE-ZDUSSCGKSA-N 1 0 303.377 3.651 20 10 DHCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000735323984 1020718582 /nfs/dbraw/zinc/71/85/82/1020718582.db2.gz KCBAUAJVJASIHV-GOSISDBHSA-N 1 0 313.441 3.946 20 10 DHCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCCO1 ZINC000738062440 1020861306 /nfs/dbraw/zinc/86/13/06/1020861306.db2.gz YTGUCGJDGLAIKU-CQSZACIVSA-N 1 0 311.381 3.902 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1C(C)C ZINC000738159019 1020862170 /nfs/dbraw/zinc/86/21/70/1020862170.db2.gz QBZWNJGEANMGLY-KRWDZBQOSA-N 1 0 313.445 3.858 20 10 DHCDRO CCS[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226259 1020864974 /nfs/dbraw/zinc/86/49/74/1020864974.db2.gz GAHQLBSRKYYPSC-QGZVFWFLSA-N 1 0 305.487 3.989 20 10 DHCDRO O=C1C=CC(=NNc2ccc(O[C@@H]3CC[NH2+]C[C@@H]3F)cc2)C=C1 ZINC001218068370 1020908430 /nfs/dbraw/zinc/90/84/30/1020908430.db2.gz DXFIOTPPKPPYCN-DLBZAZTESA-N 1 0 315.348 3.886 20 10 DHCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000174023630 1020950519 /nfs/dbraw/zinc/95/05/19/1020950519.db2.gz SZCWRIFJLFZYTH-LBPRGKRZSA-N 1 0 309.413 3.747 20 10 DHCDRO CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001171940344 1032947668 /nfs/dbraw/zinc/94/76/68/1032947668.db2.gz RELZPIYRYOULMZ-VNSJNIRKSA-N 1 0 305.418 3.555 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000742163237 1021092903 /nfs/dbraw/zinc/09/29/03/1021092903.db2.gz RUQMACYUAZDNHJ-HXUWFJFHSA-N 1 0 311.425 3.891 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)c(O)c1 ZINC000742380923 1021108682 /nfs/dbraw/zinc/10/86/82/1021108682.db2.gz SINYFJYTJDDLQU-ZDUSSCGKSA-N 1 0 303.402 3.803 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C12CCC2 ZINC000742373400 1021114816 /nfs/dbraw/zinc/11/48/16/1021114816.db2.gz BIRRSCSRRPLGJV-RBUKOAKNSA-N 1 0 316.489 3.970 20 10 DHCDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000742379641 1021115297 /nfs/dbraw/zinc/11/52/97/1021115297.db2.gz ZBVFPGMQVMVIEY-CYBMUJFWSA-N 1 0 305.805 3.911 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000858584708 1032957906 /nfs/dbraw/zinc/95/79/06/1032957906.db2.gz VVXJZJTWCYGYIZ-GVXVVHGQSA-N 1 0 303.324 3.629 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(F)ccc1O ZINC000176986290 1021192136 /nfs/dbraw/zinc/19/21/36/1021192136.db2.gz XJYJMOXLKJNEFD-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO c1ccc2cc(OCC[NH2+]Cc3ccc4c(c3)CCO4)ccc2c1 ZINC000917393751 1021249275 /nfs/dbraw/zinc/24/92/75/1021249275.db2.gz MJKYIYLCRZDNRG-UHFFFAOYSA-N 1 0 319.404 3.943 20 10 DHCDRO CCCC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000303068754 1021269197 /nfs/dbraw/zinc/26/91/97/1021269197.db2.gz ZMXVNKYHQXLYKQ-UHFFFAOYSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000743499051 1021306406 /nfs/dbraw/zinc/30/64/06/1021306406.db2.gz GLANBTQEBDTYSO-GDBMZVCRSA-N 1 0 310.457 3.559 20 10 DHCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743839864 1021373316 /nfs/dbraw/zinc/37/33/16/1021373316.db2.gz FVKHILLQBOKYLJ-FQEVSTJZSA-N 1 0 312.457 3.617 20 10 DHCDRO COc1cc(C[NH2+]Cc2cccc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850039735 1021402001 /nfs/dbraw/zinc/40/20/01/1021402001.db2.gz LGCYYRDHHNUDEJ-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850233990 1021450274 /nfs/dbraw/zinc/45/02/74/1021450274.db2.gz NXWPKLLAPOJCBT-AGGWBTHJSA-N 1 0 321.461 3.744 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850238746 1021452061 /nfs/dbraw/zinc/45/20/61/1021452061.db2.gz AMFCHDSAPQYRLR-ZIAGYGMSSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850238745 1021452352 /nfs/dbraw/zinc/45/23/52/1021452352.db2.gz AMFCHDSAPQYRLR-UONOGXRCSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850237063 1021452545 /nfs/dbraw/zinc/45/25/45/1021452545.db2.gz XHRBPEFGFWAKOZ-DYVFJYSZSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3C)C2)cc1 ZINC000850347766 1021480775 /nfs/dbraw/zinc/48/07/75/1021480775.db2.gz WZUZSPPZVXIDGE-KRWDZBQOSA-N 1 0 314.404 3.511 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4ccccc4o3)C2)cc1 ZINC000850345779 1021481263 /nfs/dbraw/zinc/48/12/63/1021481263.db2.gz KGVWCFDLIPUSCM-INIZCTEOSA-N 1 0 322.408 3.810 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)sc3C)C2)cc1 ZINC000850346257 1021481550 /nfs/dbraw/zinc/48/15/50/1021481550.db2.gz DGRSNAOFHFRMOI-MRXNPFEDSA-N 1 0 316.470 3.742 20 10 DHCDRO CSCC1(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000850355842 1021483416 /nfs/dbraw/zinc/48/34/16/1021483416.db2.gz LOKKPDLVLAWPCR-PLNGDYQASA-N 1 0 304.503 3.889 20 10 DHCDRO COc1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1C ZINC000850355202 1021483740 /nfs/dbraw/zinc/48/37/40/1021483740.db2.gz AMHJTKHMYSCBPB-UHFFFAOYSA-N 1 0 306.409 3.884 20 10 DHCDRO CSCC1(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000850355843 1021483921 /nfs/dbraw/zinc/48/39/21/1021483921.db2.gz LOKKPDLVLAWPCR-SNAWJCMRSA-N 1 0 304.503 3.889 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1C ZINC000850365390 1021489893 /nfs/dbraw/zinc/48/98/93/1021489893.db2.gz NJTCSZJLHUOATG-UHFFFAOYSA-N 1 0 315.388 3.979 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850374977 1021497132 /nfs/dbraw/zinc/49/71/32/1021497132.db2.gz OWQGLNBBXMELNF-XSXCZSQGSA-N 1 0 308.425 3.534 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC3(CCCO3)CC2)c(Cl)c1 ZINC001140925736 1021504874 /nfs/dbraw/zinc/50/48/74/1021504874.db2.gz VIYJKIBQUYIJTF-UHFFFAOYSA-N 1 0 308.853 3.551 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(O)c1 ZINC000850389397 1021506216 /nfs/dbraw/zinc/50/62/16/1021506216.db2.gz WHJYNDWEMJGJRS-SJORKVTESA-N 1 0 319.445 3.617 20 10 DHCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406212 1021514057 /nfs/dbraw/zinc/51/40/57/1021514057.db2.gz XMTCITXLRVNLLD-QGZVFWFLSA-N 1 0 316.489 3.706 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCC1SCCS1 ZINC000850407763 1021515192 /nfs/dbraw/zinc/51/51/92/1021515192.db2.gz PTEGUGVGYRWZPG-UHFFFAOYSA-N 1 0 322.543 3.963 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000850408869 1021515297 /nfs/dbraw/zinc/51/52/97/1021515297.db2.gz HJOZFJZDSPPRHB-JKFJTQCBSA-N 1 0 322.427 3.833 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc2cnccc2o1 ZINC000850430552 1021527931 /nfs/dbraw/zinc/52/79/31/1021527931.db2.gz MRUONJOKBUEQEA-GFCCVEGCSA-N 1 0 313.376 3.884 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000850430020 1021528000 /nfs/dbraw/zinc/52/80/00/1021528000.db2.gz LCYMGBCDHIGNOI-GOSISDBHSA-N 1 0 300.446 3.586 20 10 DHCDRO C[N@H+](CCC1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000744384239 1021528456 /nfs/dbraw/zinc/52/84/56/1021528456.db2.gz KBEOVRUOMCOEPL-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850434851 1021531635 /nfs/dbraw/zinc/53/16/35/1021531635.db2.gz DDUVPYJMVZTREZ-OAHLLOKOSA-N 1 0 320.477 3.519 20 10 DHCDRO COC1CC(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000850482663 1021556127 /nfs/dbraw/zinc/55/61/27/1021556127.db2.gz QOJSATZVDHCIQB-CBCUQQMYSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccn1 ZINC000850483375 1021558349 /nfs/dbraw/zinc/55/83/49/1021558349.db2.gz WQQCQBRJCDAQRK-LALPHHSUSA-N 1 0 300.377 3.868 20 10 DHCDRO C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccn1 ZINC000850483377 1021559609 /nfs/dbraw/zinc/55/96/09/1021559609.db2.gz WQQCQBRJCDAQRK-ZOWXZIJZSA-N 1 0 300.377 3.868 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3CCCF)C2)cc1 ZINC000850489576 1021561276 /nfs/dbraw/zinc/56/12/76/1021561276.db2.gz YPHCURVPPNKPQO-TXPKVOOTSA-N 1 0 320.452 3.782 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3CCCF)C2)cc1 ZINC000850489572 1021561978 /nfs/dbraw/zinc/56/19/78/1021561978.db2.gz YPHCURVPPNKPQO-GJYPPUQNSA-N 1 0 320.452 3.782 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(C)cc1O ZINC000850504884 1021565330 /nfs/dbraw/zinc/56/53/30/1021565330.db2.gz HMBWYAUDBVPDSH-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850513715 1021571290 /nfs/dbraw/zinc/57/12/90/1021571290.db2.gz BNKSZOHULZLTGC-GJZGRUSLSA-N 1 0 320.452 3.628 20 10 DHCDRO C[NH2+]CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000070188926 1021579945 /nfs/dbraw/zinc/57/99/45/1021579945.db2.gz YCNBYFFNMGTWNA-UHFFFAOYSA-N 1 0 317.260 3.521 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529812 1021583490 /nfs/dbraw/zinc/58/34/90/1021583490.db2.gz UBKJDGIWLGWYQO-UFYCRDLUSA-N 1 0 310.441 3.972 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)ccc1O ZINC000850531356 1021584941 /nfs/dbraw/zinc/58/49/41/1021584941.db2.gz JIFXOBQCHOYPLB-KMFMINBZSA-N 1 0 315.388 3.755 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000850533977 1021587308 /nfs/dbraw/zinc/58/73/08/1021587308.db2.gz HSMSARVREFCOBE-ZACQAIPSSA-N 1 0 324.415 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000850535683 1021589568 /nfs/dbraw/zinc/58/95/68/1021589568.db2.gz ZFPPRTBONASOBY-NSHDSACASA-N 1 0 319.836 3.816 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892742050 1021589614 /nfs/dbraw/zinc/58/96/14/1021589614.db2.gz TXQJGKFAVDTLAI-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(Cl)cc1O ZINC000850549848 1021597293 /nfs/dbraw/zinc/59/72/93/1021597293.db2.gz KNAPBTHVZHPGMJ-NSHDSACASA-N 1 0 319.836 3.897 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850567402 1021610868 /nfs/dbraw/zinc/61/08/68/1021610868.db2.gz BNQMITBMYANSHK-GQIGUUNPSA-N 1 0 316.489 3.562 20 10 DHCDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568065 1021610904 /nfs/dbraw/zinc/61/09/04/1021610904.db2.gz OTTXGRPGUFHNNP-SJORKVTESA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850567405 1021611044 /nfs/dbraw/zinc/61/10/44/1021611044.db2.gz BNQMITBMYANSHK-QINHECLXSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000850567339 1021611274 /nfs/dbraw/zinc/61/12/74/1021611274.db2.gz AAECJFKRSFRYCD-GQIGUUNPSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566940 1021611346 /nfs/dbraw/zinc/61/13/46/1021611346.db2.gz VACUVYULYFLWLW-HZPDHXFCSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850566558 1021611506 /nfs/dbraw/zinc/61/15/06/1021611506.db2.gz PMOKMUIMCDDXIL-KRWDZBQOSA-N 1 0 324.468 3.807 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1F ZINC000763521171 1021612915 /nfs/dbraw/zinc/61/29/15/1021612915.db2.gz LBYKGNWDTLILMZ-ZDUSSCGKSA-N 1 0 300.368 3.949 20 10 DHCDRO C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000850572643 1021615354 /nfs/dbraw/zinc/61/53/54/1021615354.db2.gz FRPVBZMXMMJNBL-ZDUSSCGKSA-N 1 0 305.418 3.555 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(O)c1C ZINC000850573129 1021616109 /nfs/dbraw/zinc/61/61/09/1021616109.db2.gz JIQOIAHRCYPLID-TXPKVOOTSA-N 1 0 313.441 3.824 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC)c2C)c1 ZINC000850579295 1021620987 /nfs/dbraw/zinc/62/09/87/1021620987.db2.gz TYKJKZFBCLATJQ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850583243 1021622759 /nfs/dbraw/zinc/62/27/59/1021622759.db2.gz KCFUWMZWVGXIKJ-PRXAMGSTSA-N 1 0 305.805 3.818 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000182371455 1021623512 /nfs/dbraw/zinc/62/35/12/1021623512.db2.gz RHGXFDHICWDJGA-SNVBAGLBSA-N 1 0 316.332 3.532 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178307636 1021626562 /nfs/dbraw/zinc/62/65/62/1021626562.db2.gz IOZDVEZIBHMLSU-MRXNPFEDSA-N 1 0 319.468 3.562 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000379646475 1021656904 /nfs/dbraw/zinc/65/69/04/1021656904.db2.gz JEYVYTQYAOOPBX-LPHOPBHVSA-N 1 0 310.441 3.535 20 10 DHCDRO C[N@H+](Cc1ccc(Br)s1)Cc1ccccc1O ZINC000109773773 1021745746 /nfs/dbraw/zinc/74/57/46/1021745746.db2.gz WEMWTXIGGHMXKM-UHFFFAOYSA-N 1 0 312.232 3.848 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000746026315 1021826522 /nfs/dbraw/zinc/82/65/22/1021826522.db2.gz GLXPPZOAXKMOOP-UHFFFAOYSA-N 1 0 317.360 3.671 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccnc1Cl ZINC000122696492 1021952495 /nfs/dbraw/zinc/95/24/95/1021952495.db2.gz JQZXXMGXSDKOQU-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO CO[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000851716766 1021970509 /nfs/dbraw/zinc/97/05/09/1021970509.db2.gz QTZHRLYEYXVTRD-OALUTQOASA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(SC)c2)c1 ZINC000851900729 1022036352 /nfs/dbraw/zinc/03/63/52/1022036352.db2.gz XNKVTANGRVHMRN-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)CC2=Cc3ccccc3OC2)cc1 ZINC000155195634 1022057724 /nfs/dbraw/zinc/05/77/24/1022057724.db2.gz WLIMKGLZRWHYJL-UHFFFAOYSA-N 1 0 308.425 3.660 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cccc(F)c2)c1O ZINC000179582090 1022068164 /nfs/dbraw/zinc/06/81/64/1022068164.db2.gz CMVLAMJHQIMEPD-UHFFFAOYSA-N 1 0 319.351 3.898 20 10 DHCDRO COc1ccc(OCC[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756360596 1022070744 /nfs/dbraw/zinc/07/07/44/1022070744.db2.gz UMRRSHXSKYCEFO-GFCCVEGCSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H]2SCCc3ccccc32)c1O ZINC000749300219 1022082517 /nfs/dbraw/zinc/08/25/17/1022082517.db2.gz XIAPWFGMXYEZEP-QGZVFWFLSA-N 1 0 315.438 3.521 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000766381455 1022084957 /nfs/dbraw/zinc/08/49/57/1022084957.db2.gz JGGBTTAAUSHKOB-OAHLLOKOSA-N 1 0 320.477 3.915 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401441 1022093333 /nfs/dbraw/zinc/09/33/33/1022093333.db2.gz QRSVQWJBKHQJEZ-UXHICEINSA-N 1 0 312.457 3.835 20 10 DHCDRO COc1ccccc1C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179926017 1022094239 /nfs/dbraw/zinc/09/42/39/1022094239.db2.gz QPKZTIBRLOCLRW-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401444 1022094943 /nfs/dbraw/zinc/09/49/43/1022094943.db2.gz QRSVQWJBKHQJEZ-WOJBJXKFSA-N 1 0 312.457 3.835 20 10 DHCDRO c1csc(SCCCNc2cc[nH+]c3ccccc23)n1 ZINC000746461198 1022117773 /nfs/dbraw/zinc/11/77/73/1022117773.db2.gz UGWHBORUULXEPL-UHFFFAOYSA-N 1 0 301.440 3.708 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCNc2ccccn2)cc1 ZINC000766516408 1022159108 /nfs/dbraw/zinc/15/91/08/1022159108.db2.gz YBMLAVFMVMEMDT-MRXNPFEDSA-N 1 0 312.461 3.691 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1O ZINC000183514550 1022169923 /nfs/dbraw/zinc/16/99/23/1022169923.db2.gz XDQJTURKJWKINN-WBMJQRKESA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]CCN2CCCCCC2)c2c1c(F)ccc2O ZINC000756378488 1022170452 /nfs/dbraw/zinc/17/04/52/1022170452.db2.gz FRHMDSUGTUFEKF-ZFWWWQNUSA-N 1 0 306.425 3.545 20 10 DHCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000852820416 1022180765 /nfs/dbraw/zinc/18/07/65/1022180765.db2.gz VRWIIRCFCQPLSF-UHFFFAOYSA-N 1 0 322.452 3.906 20 10 DHCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc(-c2ccccc2)cc1 ZINC000852846158 1022182920 /nfs/dbraw/zinc/18/29/20/1022182920.db2.gz DFKMXQSFVYQBRF-UHFFFAOYSA-N 1 0 306.409 3.626 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183556546 1022190083 /nfs/dbraw/zinc/19/00/83/1022190083.db2.gz QUBLQUXQRGDIBP-SOLBZPMBSA-N 1 0 310.441 3.706 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1O ZINC000853094530 1022221397 /nfs/dbraw/zinc/22/13/97/1022221397.db2.gz FELOSZHIRGISGR-ZDUSSCGKSA-N 1 0 313.397 3.577 20 10 DHCDRO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(F)ccc1O ZINC000853240553 1022242081 /nfs/dbraw/zinc/24/20/81/1022242081.db2.gz HVLRQNWUEZTIEA-VIFPVBQESA-N 1 0 314.282 3.796 20 10 DHCDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000853239576 1022242946 /nfs/dbraw/zinc/24/29/46/1022242946.db2.gz IFYMYKJFTIPPQT-INIZCTEOSA-N 1 0 312.461 3.744 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccccc1 ZINC000111232827 1022252347 /nfs/dbraw/zinc/25/23/47/1022252347.db2.gz SVPDNIRZAUHWHU-HXUWFJFHSA-N 1 0 323.392 3.721 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(c2ccon2)CC1 ZINC000853592812 1022296677 /nfs/dbraw/zinc/29/66/77/1022296677.db2.gz FHIJDYQRVYWSLP-UHFFFAOYSA-N 1 0 308.381 3.913 20 10 DHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)CCC2 ZINC000363859372 1022343574 /nfs/dbraw/zinc/34/35/74/1022343574.db2.gz FTZFIONDRDPPKH-HOTGVXAUSA-N 1 0 313.445 3.742 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3nc(C)sc32)c1 ZINC000363868241 1022359280 /nfs/dbraw/zinc/35/92/80/1022359280.db2.gz MYXUVDWLQBQXDL-YGRLFVJLSA-N 1 0 318.442 3.894 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC001169463511 1022423681 /nfs/dbraw/zinc/42/36/81/1022423681.db2.gz WTFCXAWUXVRHMK-MAUKXSAKSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000237541191 1022429591 /nfs/dbraw/zinc/42/95/91/1022429591.db2.gz KKQAFOYKWQODBY-HNNXBMFYSA-N 1 0 320.452 3.721 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2cccc(F)c2)c1 ZINC000756476824 1022430420 /nfs/dbraw/zinc/43/04/20/1022430420.db2.gz VLCLHTAPNRHZTC-STQMWFEESA-N 1 0 303.377 3.994 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]CCCC(F)(F)F ZINC000691426973 1022530324 /nfs/dbraw/zinc/53/03/24/1022530324.db2.gz ARSLQVMPXKOHNB-UHFFFAOYSA-N 1 0 312.129 3.587 20 10 DHCDRO COc1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c1O ZINC000185230388 1022467640 /nfs/dbraw/zinc/46/76/40/1022467640.db2.gz HHHWXHQEQASCIP-UHFFFAOYSA-N 1 0 315.388 3.795 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000179583977 1022475771 /nfs/dbraw/zinc/47/57/71/1022475771.db2.gz YRUJUUFZIKOGOB-LJQANCHMSA-N 1 0 311.425 3.616 20 10 DHCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185442897 1022489052 /nfs/dbraw/zinc/48/90/52/1022489052.db2.gz SENMOSMNPYQHFK-HNNXBMFYSA-N 1 0 308.441 3.838 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000179683362 1022508554 /nfs/dbraw/zinc/50/85/54/1022508554.db2.gz UNYNELUAXVMVHA-UHFFFAOYSA-N 1 0 301.386 3.939 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000185660674 1022511402 /nfs/dbraw/zinc/51/14/02/1022511402.db2.gz QXDGPTJIPWCNSH-ZDUSSCGKSA-N 1 0 322.449 3.655 20 10 DHCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000180001409 1022607784 /nfs/dbraw/zinc/60/77/84/1022607784.db2.gz BIDORXZSNRTQOK-JKSUJKDBSA-N 1 0 320.452 3.618 20 10 DHCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC000180196984 1022658893 /nfs/dbraw/zinc/65/88/93/1022658893.db2.gz COPWKSNBCSFFEG-IBGZPJMESA-N 1 0 324.468 3.655 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000767195671 1022660667 /nfs/dbraw/zinc/66/06/67/1022660667.db2.gz PGIDMKKJCBBNTQ-PMACEKPBSA-N 1 0 316.489 3.828 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1 ZINC000767417963 1022712753 /nfs/dbraw/zinc/71/27/53/1022712753.db2.gz SMYRVIWIYKTSPD-UHFFFAOYSA-N 1 0 313.445 3.615 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2cc(C)c(C)cc2O)c(C)n1 ZINC000767427055 1022714921 /nfs/dbraw/zinc/71/49/21/1022714921.db2.gz OPBYIWUTRDKMLF-UHFFFAOYSA-N 1 0 315.461 3.994 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776882027 1022799099 /nfs/dbraw/zinc/79/90/99/1022799099.db2.gz FKPFNAVZQUOBAT-KBPBESRZSA-N 1 0 306.425 3.502 20 10 DHCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]3c3ccccc3)cc2)CC1 ZINC000876512585 1033082441 /nfs/dbraw/zinc/08/24/41/1033082441.db2.gz SPFAKVZFOHOWFM-OAQYLSRUSA-N 1 0 322.452 3.595 20 10 DHCDRO COc1cccc(C[N@H+](C)CCOc2cccc(Cl)c2)c1O ZINC000768211672 1022916125 /nfs/dbraw/zinc/91/61/25/1022916125.db2.gz BXNNDPBFBXRZOB-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO COc1cccc(O)c1C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000768214057 1022927121 /nfs/dbraw/zinc/92/71/21/1022927121.db2.gz GXJFMHOTIJDJDG-UHFFFAOYSA-N 1 0 309.409 3.999 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000768227617 1022929386 /nfs/dbraw/zinc/92/93/86/1022929386.db2.gz SBABAKCXKPGEOB-MRXNPFEDSA-N 1 0 301.361 3.877 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)c(O)c1 ZINC000768234243 1022930210 /nfs/dbraw/zinc/93/02/10/1022930210.db2.gz YYIMQCWJWZWEHN-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO COc1cccc(O)c1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000768269171 1022935860 /nfs/dbraw/zinc/93/58/60/1022935860.db2.gz GBWLGFHEJPURPS-UHFFFAOYSA-N 1 0 301.386 3.939 20 10 DHCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768243086 1022939294 /nfs/dbraw/zinc/93/92/94/1022939294.db2.gz DDCOWDNEZVGBEV-FQEVSTJZSA-N 1 0 315.505 3.593 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1O ZINC000768319573 1022950160 /nfs/dbraw/zinc/95/01/60/1022950160.db2.gz QWECFPBCDVXNJX-SFHVURJKSA-N 1 0 311.425 3.998 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1OC ZINC000768439444 1022968714 /nfs/dbraw/zinc/96/87/14/1022968714.db2.gz LZPULRBAHVYRPB-NUEKZKHPSA-N 1 0 319.445 3.810 20 10 DHCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000768478098 1022969744 /nfs/dbraw/zinc/96/97/44/1022969744.db2.gz HJLGCRCQIMIUDL-UHFFFAOYSA-N 1 0 308.441 3.530 20 10 DHCDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464020 1022972455 /nfs/dbraw/zinc/97/24/55/1022972455.db2.gz YZVPWDIUGBLWOV-OAHLLOKOSA-N 1 0 307.434 3.954 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000768527898 1022980449 /nfs/dbraw/zinc/98/04/49/1022980449.db2.gz CFGJFQBPQHDAAN-UHFFFAOYSA-N 1 0 310.441 3.796 20 10 DHCDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000768541268 1022986163 /nfs/dbraw/zinc/98/61/63/1022986163.db2.gz MGTJVICNUMHIME-AWEZNQCLSA-N 1 0 311.853 3.993 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295923580 1023000941 /nfs/dbraw/zinc/00/09/41/1023000941.db2.gz JXKLWUGUKSRILG-BLLLJJGKSA-N 1 0 313.397 3.748 20 10 DHCDRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000123431826 1023039069 /nfs/dbraw/zinc/03/90/69/1023039069.db2.gz ACAHWLDEMUNSME-GOSISDBHSA-N 1 0 324.468 3.807 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363704 1023088693 /nfs/dbraw/zinc/08/86/93/1023088693.db2.gz OBEWZDVNMOMVNV-ICSRJNTNSA-N 1 0 321.424 3.956 20 10 DHCDRO CCC[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccccc1O ZINC000769201303 1023101184 /nfs/dbraw/zinc/10/11/84/1023101184.db2.gz RHYPQKSDQGQCKH-UHFFFAOYSA-N 1 0 313.376 3.591 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000769209348 1023102064 /nfs/dbraw/zinc/10/20/64/1023102064.db2.gz SHUNJVOAERNUHT-UHFFFAOYSA-N 1 0 314.429 3.656 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1C ZINC000769232859 1023103790 /nfs/dbraw/zinc/10/37/90/1023103790.db2.gz OPRDNMRQQJUYRX-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000769244243 1023107943 /nfs/dbraw/zinc/10/79/43/1023107943.db2.gz MPKLCYJFFWCQGR-GOSISDBHSA-N 1 0 310.441 3.751 20 10 DHCDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001172372716 1033106250 /nfs/dbraw/zinc/10/62/50/1033106250.db2.gz GTKIGNGSMKRMKK-MBOZVWFJSA-N 1 0 316.489 3.780 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769311582 1023119360 /nfs/dbraw/zinc/11/93/60/1023119360.db2.gz NDLBELOPYIFSHN-IBGZPJMESA-N 1 0 312.461 3.566 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000769340757 1023128146 /nfs/dbraw/zinc/12/81/46/1023128146.db2.gz XUITVVNUUDVOBN-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769390606 1023139917 /nfs/dbraw/zinc/13/99/17/1023139917.db2.gz ZZBMGYXLNQHYTG-AWEZNQCLSA-N 1 0 316.420 3.660 20 10 DHCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000769463897 1023158941 /nfs/dbraw/zinc/15/89/41/1023158941.db2.gz SICAUCLAOVOXHW-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000769469752 1023161602 /nfs/dbraw/zinc/16/16/02/1023161602.db2.gz DSKSWNQFBNUTDG-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(O)cccc2OC)s1 ZINC000769471973 1023163672 /nfs/dbraw/zinc/16/36/72/1023163672.db2.gz ZOFOKPIBBBGYFK-GFCCVEGCSA-N 1 0 320.458 3.921 20 10 DHCDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2O)cc1F ZINC000769495380 1023167183 /nfs/dbraw/zinc/16/71/83/1023167183.db2.gz PKTRRCXZLITBMU-CYBMUJFWSA-N 1 0 303.377 3.508 20 10 DHCDRO Oc1cccc(Cl)c1CN1CCOC[C@H]1c1ccccc1 ZINC000769504329 1023169100 /nfs/dbraw/zinc/16/91/00/1023169100.db2.gz UHUHTUMGZMQBFK-INIZCTEOSA-N 1 0 303.789 3.619 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000769557737 1023179282 /nfs/dbraw/zinc/17/92/82/1023179282.db2.gz ADSJTLRTYLRCER-CYBMUJFWSA-N 1 0 303.352 3.968 20 10 DHCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000769871626 1023234404 /nfs/dbraw/zinc/23/44/04/1023234404.db2.gz YTFHKABIGGUTLN-CQSZACIVSA-N 1 0 313.445 3.996 20 10 DHCDRO CCc1noc(C)c1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000769873467 1023237903 /nfs/dbraw/zinc/23/79/03/1023237903.db2.gz ILGDHBZHGDZMCC-JTQLQIEISA-N 1 0 311.476 3.835 20 10 DHCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000769932675 1023250983 /nfs/dbraw/zinc/25/09/83/1023250983.db2.gz IAEARQUEUWVVOE-GOSISDBHSA-N 1 0 316.470 3.562 20 10 DHCDRO OCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000769935792 1023251348 /nfs/dbraw/zinc/25/13/48/1023251348.db2.gz RMTYDKPNNZSCAM-UHFFFAOYSA-N 1 0 311.425 3.702 20 10 DHCDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876683148 1033122943 /nfs/dbraw/zinc/12/29/43/1033122943.db2.gz QAIXNWAEFQBFNT-LJQANCHMSA-N 1 0 316.489 3.658 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000770293492 1023292840 /nfs/dbraw/zinc/29/28/40/1023292840.db2.gz PFFJIZAJANLCMR-HKUYNNGSSA-N 1 0 302.462 3.534 20 10 DHCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000770324352 1023296761 /nfs/dbraw/zinc/29/67/61/1023296761.db2.gz JGNSZLUHIWISAT-HXUWFJFHSA-N 1 0 316.489 3.924 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)c1 ZINC000770353842 1023304682 /nfs/dbraw/zinc/30/46/82/1023304682.db2.gz VIQRLSVGCPIBJS-MSOLQXFVSA-N 1 0 319.445 3.570 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)c1 ZINC000770353848 1023304727 /nfs/dbraw/zinc/30/47/27/1023304727.db2.gz VIQRLSVGCPIBJS-ZWKOTPCHSA-N 1 0 319.445 3.570 20 10 DHCDRO Oc1ccccc1C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000770506112 1023316454 /nfs/dbraw/zinc/31/64/54/1023316454.db2.gz SSNYWTFIMPHMHI-UHFFFAOYSA-N 1 0 320.795 3.507 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000770746614 1023346957 /nfs/dbraw/zinc/34/69/57/1023346957.db2.gz OBFLQQHRSYCNMP-AUUYWEPGSA-N 1 0 316.420 3.758 20 10 DHCDRO COc1cccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1O ZINC000770742713 1023347026 /nfs/dbraw/zinc/34/70/26/1023347026.db2.gz UWPKHZXSJLNMPM-UHFFFAOYSA-N 1 0 315.388 3.652 20 10 DHCDRO CC(C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000236708700 1023395655 /nfs/dbraw/zinc/39/56/55/1023395655.db2.gz QCCMBCVOLTZRNM-UHFFFAOYSA-N 1 0 307.478 3.848 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000785513879 1023585981 /nfs/dbraw/zinc/58/59/81/1023585981.db2.gz SUEKKWBMKYQANP-UHFFFAOYSA-N 1 0 321.461 3.785 20 10 DHCDRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000785545810 1023589088 /nfs/dbraw/zinc/58/90/88/1023589088.db2.gz WUDVDJGPDSYPRK-QGZVFWFLSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@@H](CC(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172407132 1033156648 /nfs/dbraw/zinc/15/66/48/1033156648.db2.gz NGTNYOHDPVFEML-SFHVURJKSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000786950023 1023740487 /nfs/dbraw/zinc/74/04/87/1023740487.db2.gz NIROAQRZZHWBRX-CABCVRRESA-N 1 0 318.383 3.761 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCCOc2cccc(C)c2C)c1 ZINC000787314896 1023786934 /nfs/dbraw/zinc/78/69/34/1023786934.db2.gz PQZZNXONJSBNLG-UHFFFAOYSA-N 1 0 315.413 3.576 20 10 DHCDRO CC[NH+](CC)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000788008000 1023836378 /nfs/dbraw/zinc/83/63/78/1023836378.db2.gz KFDJPQFFCJZXKM-UHFFFAOYSA-N 1 0 304.415 3.548 20 10 DHCDRO c1csc(SCCC[NH2+]C2CCC3(CCCO3)CC2)n1 ZINC000788245077 1023864315 /nfs/dbraw/zinc/86/43/15/1023864315.db2.gz ATNHXGAUOIMJCQ-UHFFFAOYSA-N 1 0 312.504 3.707 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1C ZINC000788260017 1023866212 /nfs/dbraw/zinc/86/62/12/1023866212.db2.gz QWNGDSATSROLFZ-RDJZCZTQSA-N 1 0 315.461 3.833 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000788502816 1023896658 /nfs/dbraw/zinc/89/66/58/1023896658.db2.gz LDHYVIDBRBIGDE-AWEZNQCLSA-N 1 0 313.397 3.631 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](Cn2cccn2)C(C)C)cc1 ZINC000788550484 1023904511 /nfs/dbraw/zinc/90/45/11/1023904511.db2.gz ZFAVNKJPDYNDHE-LJQANCHMSA-N 1 0 314.477 3.544 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)c(O)c1 ZINC000788527208 1023905124 /nfs/dbraw/zinc/90/51/24/1023905124.db2.gz IGMXWTLGXMRLPN-JQFCIGGWSA-N 1 0 304.478 3.780 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000788611241 1023907953 /nfs/dbraw/zinc/90/79/53/1023907953.db2.gz PQNHPFLJXZYDNC-INIZCTEOSA-N 1 0 316.489 3.736 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)ccc21 ZINC000788584748 1023909897 /nfs/dbraw/zinc/90/98/97/1023909897.db2.gz QAOJDYAGERKGJF-HXUWFJFHSA-N 1 0 322.452 3.942 20 10 DHCDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788589890 1023910021 /nfs/dbraw/zinc/91/00/21/1023910021.db2.gz DPVPLRHKUWYUQP-CYBMUJFWSA-N 1 0 304.459 3.976 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000788603259 1023912542 /nfs/dbraw/zinc/91/25/42/1023912542.db2.gz ACKREITTYANDRD-GOSISDBHSA-N 1 0 316.489 3.736 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000788621571 1023915123 /nfs/dbraw/zinc/91/51/23/1023915123.db2.gz MEVWDWPAEZZOJF-FASAQXTFSA-N 1 0 317.404 3.940 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000788621569 1023915473 /nfs/dbraw/zinc/91/54/73/1023915473.db2.gz MEVWDWPAEZZOJF-AGRHKRQWSA-N 1 0 317.404 3.940 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c(O)c1 ZINC000788736476 1023932451 /nfs/dbraw/zinc/93/24/51/1023932451.db2.gz GEQPKONJCHIIAJ-FUHWJXTLSA-N 1 0 313.441 3.653 20 10 DHCDRO CCOC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)C ZINC000788985745 1023958662 /nfs/dbraw/zinc/95/86/62/1023958662.db2.gz QVJVQRFWDSEQGA-KSSFIOAISA-N 1 0 305.462 3.983 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000788989015 1023960455 /nfs/dbraw/zinc/96/04/55/1023960455.db2.gz TVZPSUAWCLQJPJ-APWZRJJASA-N 1 0 314.473 3.897 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1F ZINC000788988511 1023960915 /nfs/dbraw/zinc/96/09/15/1023960915.db2.gz RLGQFHSSLWUMGI-XYJFISCASA-N 1 0 320.452 3.577 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000789511424 1024106086 /nfs/dbraw/zinc/10/60/86/1024106086.db2.gz ZYLJHFPHQDIIAI-RDJZCZTQSA-N 1 0 319.445 3.539 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000789584867 1024120775 /nfs/dbraw/zinc/12/07/75/1024120775.db2.gz SFZFTSCTFUORMS-OAHLLOKOSA-N 1 0 319.832 3.735 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268784827 1024160364 /nfs/dbraw/zinc/16/03/64/1024160364.db2.gz BXVMEXXEWGAWAJ-INIZCTEOSA-N 1 0 314.458 3.703 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789769316 1024161534 /nfs/dbraw/zinc/16/15/34/1024161534.db2.gz OBIIJSCDPPRDAT-HNNXBMFYSA-N 1 0 314.404 3.538 20 10 DHCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000162653748 1024192875 /nfs/dbraw/zinc/19/28/75/1024192875.db2.gz CZGWGNHZHMMJHH-GOSISDBHSA-N 1 0 321.424 3.788 20 10 DHCDRO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882986209 1024193903 /nfs/dbraw/zinc/19/39/03/1024193903.db2.gz MGXRFBMYRLRXMU-MRXNPFEDSA-N 1 0 319.351 3.846 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000269005637 1024218865 /nfs/dbraw/zinc/21/88/65/1024218865.db2.gz WBFVWPBUDIQKMR-OAHLLOKOSA-N 1 0 322.468 3.875 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000130862086 1024226875 /nfs/dbraw/zinc/22/68/75/1024226875.db2.gz RAJGQPDWZRYKDV-KRWDZBQOSA-N 1 0 312.413 3.722 20 10 DHCDRO CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000883126884 1024249957 /nfs/dbraw/zinc/24/99/57/1024249957.db2.gz DBECDGMKJWODDP-UHFFFAOYSA-N 1 0 322.311 3.604 20 10 DHCDRO CSC(C)(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986641 1033197151 /nfs/dbraw/zinc/19/71/51/1033197151.db2.gz JVLCRXMUGXDGGP-HNNXBMFYSA-N 1 0 322.518 3.706 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000790473535 1024306979 /nfs/dbraw/zinc/30/69/79/1024306979.db2.gz PWFBXCUWOJYUAI-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000883258774 1024328791 /nfs/dbraw/zinc/32/87/91/1024328791.db2.gz PGNBPYVGAGCFFQ-UHFFFAOYSA-N 1 0 310.441 3.928 20 10 DHCDRO CC(C)=CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000790682629 1024364347 /nfs/dbraw/zinc/36/43/47/1024364347.db2.gz FLRJJWDMMGJMPX-OAHLLOKOSA-N 1 0 306.425 3.669 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000105491799 1024393366 /nfs/dbraw/zinc/39/33/66/1024393366.db2.gz JSHJIIOOUKMOFJ-OAHLLOKOSA-N 1 0 318.214 3.932 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000883352681 1024397736 /nfs/dbraw/zinc/39/77/36/1024397736.db2.gz GHWGTHDTNHYOGM-NZBPQXDJSA-N 1 0 307.409 3.874 20 10 DHCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000883354012 1024398960 /nfs/dbraw/zinc/39/89/60/1024398960.db2.gz IZVAOYFMTUZBMD-CTMIRSMHSA-N 1 0 302.462 3.561 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883379581 1024411852 /nfs/dbraw/zinc/41/18/52/1024411852.db2.gz HBMKFJOFDKWZTI-HNNXBMFYSA-N 1 0 302.462 3.753 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1F ZINC000790996548 1024415530 /nfs/dbraw/zinc/41/55/30/1024415530.db2.gz UVRXGAJZOWZXQU-KRWDZBQOSA-N 1 0 310.457 3.557 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383034 1024415605 /nfs/dbraw/zinc/41/56/05/1024415605.db2.gz RSHUWMYFPQDVIF-IEBWSBKVSA-N 1 0 315.388 3.906 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1F ZINC000790995234 1024415665 /nfs/dbraw/zinc/41/56/65/1024415665.db2.gz IIFHUBBMQAPVKR-KRWDZBQOSA-N 1 0 314.404 3.765 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(C)cc2)c1O ZINC000314985881 1024421058 /nfs/dbraw/zinc/42/10/58/1024421058.db2.gz GCUVHHWNEASFQB-UHFFFAOYSA-N 1 0 301.361 3.674 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccns3)cc2)CC1 ZINC000877024774 1033210311 /nfs/dbraw/zinc/21/03/11/1033210311.db2.gz NXNCTRSMKFYCLE-UHFFFAOYSA-N 1 0 301.459 3.669 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000132147651 1024455975 /nfs/dbraw/zinc/45/59/75/1024455975.db2.gz MGRIMJSKVGDTKK-NSHDSACASA-N 1 0 323.443 3.884 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000132202892 1024461892 /nfs/dbraw/zinc/46/18/92/1024461892.db2.gz XWZSFMFYYWSALL-DNVCBOLYSA-N 1 0 302.462 3.832 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C ZINC000271249741 1024478019 /nfs/dbraw/zinc/47/80/19/1024478019.db2.gz ICOFHCCFGSXIAV-SJLPKXTDSA-N 1 0 315.413 3.690 20 10 DHCDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000271339549 1024491704 /nfs/dbraw/zinc/49/17/04/1024491704.db2.gz GMBABBKRRNGSRF-JKSUJKDBSA-N 1 0 311.425 3.964 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000271436496 1024505799 /nfs/dbraw/zinc/50/57/99/1024505799.db2.gz DURNDSGGROLMPJ-KGLIPLIRSA-N 1 0 316.424 3.951 20 10 DHCDRO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1cc(F)ccc1O ZINC000317500306 1024549734 /nfs/dbraw/zinc/54/97/34/1024549734.db2.gz GHUHNUBUERDWSB-AWEZNQCLSA-N 1 0 302.393 3.708 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)cc2F)c1O ZINC000228672725 1024603210 /nfs/dbraw/zinc/60/32/10/1024603210.db2.gz ZWYKJIJWWMZMNT-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000193891574 1024609606 /nfs/dbraw/zinc/60/96/06/1024609606.db2.gz BETQUWTUKMTUJR-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c(O)c1 ZINC000877065041 1033224719 /nfs/dbraw/zinc/22/47/19/1033224719.db2.gz WEKFKGFVCRBIJM-UHFFFAOYSA-N 1 0 315.388 3.635 20 10 DHCDRO Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000282868356 1024652962 /nfs/dbraw/zinc/65/29/62/1024652962.db2.gz VCHHMKFLDMOSKZ-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877068475 1033227977 /nfs/dbraw/zinc/22/79/77/1033227977.db2.gz XAAPOJDQSPAEIR-HZPDHXFCSA-N 1 0 304.478 3.562 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c(O)c1 ZINC000877066231 1033224027 /nfs/dbraw/zinc/22/40/27/1033224027.db2.gz HFEIGBYHLHPLQN-SFHVURJKSA-N 1 0 321.424 3.508 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073460 1033229688 /nfs/dbraw/zinc/22/96/88/1033229688.db2.gz KZDSDMNTPXFDHY-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO CC[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001170225027 1024711354 /nfs/dbraw/zinc/71/13/54/1024711354.db2.gz WVWXXJBNONHNAR-OALUTQOASA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCCc3sccc32)c(O)c1OC ZINC000893639384 1024734677 /nfs/dbraw/zinc/73/46/77/1024734677.db2.gz YNDRJLOZQWQLDZ-ZDUSSCGKSA-N 1 0 319.426 3.638 20 10 DHCDRO COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000792820415 1024799237 /nfs/dbraw/zinc/79/92/37/1024799237.db2.gz NOGSLVWGFDDJFY-UHFFFAOYSA-N 1 0 319.445 3.726 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000279221500 1024800665 /nfs/dbraw/zinc/80/06/65/1024800665.db2.gz ZBXQWIZENIKDFO-IAGOWNOFSA-N 1 0 304.478 3.879 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000792894576 1024828344 /nfs/dbraw/zinc/82/83/44/1024828344.db2.gz ZPQRQSNVRJEJFI-FOIQADDNSA-N 1 0 312.457 3.651 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000792920385 1024839906 /nfs/dbraw/zinc/83/99/06/1024839906.db2.gz WVJPAUSCTAXAFB-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000877116644 1033244669 /nfs/dbraw/zinc/24/46/69/1033244669.db2.gz SDHHCRLPNJKPRR-SFHVURJKSA-N 1 0 313.441 3.593 20 10 DHCDRO CCc1cccc(F)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000792938415 1024849245 /nfs/dbraw/zinc/84/92/45/1024849245.db2.gz DCLGLFNSKVXYAW-UHFFFAOYSA-N 1 0 304.384 3.883 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000825933973 1033240828 /nfs/dbraw/zinc/24/08/28/1033240828.db2.gz CZSCGIPZCNVVFW-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CSC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993574 1024861414 /nfs/dbraw/zinc/86/14/14/1024861414.db2.gz VOYPKCRAGYAPKE-SNVBAGLBSA-N 1 0 306.397 3.613 20 10 DHCDRO Cc1cc(O)c(C[N@H+](Cc2ccccn2)C2CC2)cc1Cl ZINC000825935389 1033246555 /nfs/dbraw/zinc/24/65/55/1033246555.db2.gz SAZCKLVZWBAYNG-UHFFFAOYSA-N 1 0 302.805 3.914 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000793230085 1024945644 /nfs/dbraw/zinc/94/56/44/1024945644.db2.gz DXPOFWQOCXJKTC-MFKMUULPSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2SC)c1 ZINC000793232275 1024949371 /nfs/dbraw/zinc/94/93/71/1024949371.db2.gz KZLKKLXJJIRFDV-UHFFFAOYSA-N 1 0 303.427 3.755 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](O)c1ccccc1 ZINC000793235906 1024949575 /nfs/dbraw/zinc/94/95/75/1024949575.db2.gz HLXRBWKSKVNPJD-QUCCMNQESA-N 1 0 313.441 3.996 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232522 1024949908 /nfs/dbraw/zinc/94/99/08/1024949908.db2.gz XBIPCXPGDHDARO-GZMMTYOYSA-N 1 0 323.742 3.827 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)c(O)c1 ZINC000793269958 1024971371 /nfs/dbraw/zinc/97/13/71/1024971371.db2.gz RZVPLIOVQMGBOG-UHFFFAOYSA-N 1 0 308.381 3.629 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2)c(O)c1 ZINC000793387496 1025028885 /nfs/dbraw/zinc/02/88/85/1025028885.db2.gz FQNCXCKRFCYHMI-CYBMUJFWSA-N 1 0 303.377 3.651 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1O ZINC000793565557 1025104802 /nfs/dbraw/zinc/10/48/02/1025104802.db2.gz CDNNMHOVZYQRPF-LLVKDONJSA-N 1 0 315.804 3.815 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000279643237 1025119986 /nfs/dbraw/zinc/11/99/86/1025119986.db2.gz DCLVITAZGYQMSS-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793609676 1025128437 /nfs/dbraw/zinc/12/84/37/1025128437.db2.gz RCWSPMFTUBYZKR-LJQANCHMSA-N 1 0 316.489 3.804 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1C(C)C ZINC000884483363 1025136128 /nfs/dbraw/zinc/13/61/28/1025136128.db2.gz RINXOFHVHNQEPZ-DNVCBOLYSA-N 1 0 303.446 3.825 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc2O1 ZINC000793766043 1025156503 /nfs/dbraw/zinc/15/65/03/1025156503.db2.gz FUHNTQHHDKNEBB-AWEZNQCLSA-N 1 0 320.392 3.724 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2cnc(C)cn2)cc1 ZINC000794257984 1025242755 /nfs/dbraw/zinc/24/27/55/1025242755.db2.gz PKBGEYCKDBISJA-MRXNPFEDSA-N 1 0 312.461 3.824 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCCC2 ZINC000236879172 1025353719 /nfs/dbraw/zinc/35/37/19/1025353719.db2.gz QIYKNGAEJWHXEZ-QZTJIDSGSA-N 1 0 319.445 3.618 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000825949533 1033278357 /nfs/dbraw/zinc/27/83/57/1033278357.db2.gz WSVPFVLDYMQIAW-DLBZAZTESA-N 1 0 321.848 3.888 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000236845889 1025426715 /nfs/dbraw/zinc/42/67/15/1025426715.db2.gz KWWBVZHCHCYZDN-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(C)cc1O ZINC000279933174 1025512646 /nfs/dbraw/zinc/51/26/46/1025512646.db2.gz AWHMHYXNNHQRIP-AEFFLSMTSA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCOC2(CCC2)C1 ZINC000886344805 1025597288 /nfs/dbraw/zinc/59/72/88/1025597288.db2.gz LRXDTZCWBDTWHW-MRXNPFEDSA-N 1 0 309.837 3.875 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(OC3CCCC3)CC2)cc1C ZINC000129055196 1025603958 /nfs/dbraw/zinc/60/39/58/1025603958.db2.gz NVRDCIQLZXAXFW-UHFFFAOYSA-N 1 0 303.446 3.933 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000355105348 1025603887 /nfs/dbraw/zinc/60/38/87/1025603887.db2.gz AAOQKCLLVVGEAT-ATZDWAIDSA-N 1 0 310.441 3.534 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805749235 1025657440 /nfs/dbraw/zinc/65/74/40/1025657440.db2.gz WWTGLVQNWVSVPO-WBVHZDCISA-N 1 0 319.832 3.690 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886506510 1025661057 /nfs/dbraw/zinc/66/10/57/1025661057.db2.gz VWPZVEBJULVNJY-IBGZPJMESA-N 1 0 314.477 3.753 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000886627158 1025747108 /nfs/dbraw/zinc/74/71/08/1025747108.db2.gz UZEFABHMCVRJCV-HNAYVOBHSA-N 1 0 309.457 3.664 20 10 DHCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000806132510 1025778820 /nfs/dbraw/zinc/77/88/20/1025778820.db2.gz WYFWVGUXHOCHHJ-KMCQBPLKSA-N 1 0 320.452 3.718 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Cl)c2OC)c1 ZINC000897481335 1025803851 /nfs/dbraw/zinc/80/38/51/1025803851.db2.gz CUZCBIWZSCIPOJ-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000806179384 1025834638 /nfs/dbraw/zinc/83/46/38/1025834638.db2.gz CEXKOLXHFUZDFQ-WCQYABFASA-N 1 0 323.795 3.611 20 10 DHCDRO CC1(C)Cc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2O1 ZINC000729679687 1025934834 /nfs/dbraw/zinc/93/48/34/1025934834.db2.gz ONPFQJZIKAMHJD-UHFFFAOYSA-N 1 0 309.409 3.625 20 10 DHCDRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886825029 1025949179 /nfs/dbraw/zinc/94/91/79/1025949179.db2.gz LBJCQXSHYWPZBO-AWEZNQCLSA-N 1 0 318.436 3.646 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245541282 1026064153 /nfs/dbraw/zinc/06/41/53/1026064153.db2.gz NXKCXBGIRSSWCL-ORAYPTAESA-N 1 0 313.397 3.602 20 10 DHCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090763112 1026084567 /nfs/dbraw/zinc/08/45/67/1026084567.db2.gz YNEOLQBPBBVMBF-CHWSQXEVSA-N 1 0 301.434 3.812 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1F ZINC000894154126 1026199086 /nfs/dbraw/zinc/19/90/86/1026199086.db2.gz SHZKXDFVDCGVRO-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000290002529 1026276589 /nfs/dbraw/zinc/27/65/89/1026276589.db2.gz ZGTJZACMTGJANR-SCLBCKFNSA-N 1 0 317.454 3.901 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290010017 1026280372 /nfs/dbraw/zinc/28/03/72/1026280372.db2.gz DPLQRGOGJVHRCB-HWPZZCPQSA-N 1 0 319.788 3.666 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(c3ccc(F)cc3F)C2)c(O)c1 ZINC000894186774 1026335231 /nfs/dbraw/zinc/33/52/31/1026335231.db2.gz YRSCKYOZWLVNIM-UHFFFAOYSA-N 1 0 319.351 3.715 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1O ZINC000808682831 1026347099 /nfs/dbraw/zinc/34/70/99/1026347099.db2.gz WUOGXVVSVYCNFV-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808679896 1026347321 /nfs/dbraw/zinc/34/73/21/1026347321.db2.gz DORVKZFPRMATEZ-DLBZAZTESA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1O ZINC000808692936 1026349921 /nfs/dbraw/zinc/34/99/21/1026349921.db2.gz XBUPNBJCXASGDS-LRDDRELGSA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)c1O ZINC000808703018 1026356051 /nfs/dbraw/zinc/35/60/51/1026356051.db2.gz RDVKVBIDRFTVKL-WBMJQRKESA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)c1O ZINC000808707008 1026358127 /nfs/dbraw/zinc/35/81/27/1026358127.db2.gz YQNIZRDWSAKZQA-MLGOLLRUSA-N 1 0 311.853 3.946 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1O ZINC000894205324 1026361553 /nfs/dbraw/zinc/36/15/53/1026361553.db2.gz XCRYOQKLBIETGJ-MRXNPFEDSA-N 1 0 301.361 3.625 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c1O ZINC000808695959 1026373888 /nfs/dbraw/zinc/37/38/88/1026373888.db2.gz QIDOURYFHOFSRH-YBTHPKLGSA-N 1 0 317.882 3.552 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC000808729996 1026381658 /nfs/dbraw/zinc/38/16/58/1026381658.db2.gz RCXRWPIJQXPMDH-GUYCJALGSA-N 1 0 314.404 3.546 20 10 DHCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@@](C)([NH3+])C2)cc1Cl ZINC001204946968 1026410508 /nfs/dbraw/zinc/41/05/08/1026410508.db2.gz VNDXLSAPECNWTK-QGZVFWFLSA-N 1 0 310.869 3.656 20 10 DHCDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N(C)C)cc3)c21 ZINC000237124326 1026540027 /nfs/dbraw/zinc/54/00/27/1026540027.db2.gz TXSAJJKJJUITKZ-UHFFFAOYSA-N 1 0 307.441 3.875 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)CC(C)C)CC2)cc1 ZINC000809612780 1026563457 /nfs/dbraw/zinc/56/34/57/1026563457.db2.gz ZZQNTRZUAFGARM-INIZCTEOSA-N 1 0 304.478 3.936 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(C)cc1O ZINC000279997914 1026571636 /nfs/dbraw/zinc/57/16/36/1026571636.db2.gz FRSMGNXRPXWDOA-YOEHRIQHSA-N 1 0 301.434 3.583 20 10 DHCDRO CCN(CC)c1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1 ZINC000809632987 1026578659 /nfs/dbraw/zinc/57/86/59/1026578659.db2.gz ZJKPURHTCJZBLV-UHFFFAOYSA-N 1 0 321.428 3.726 20 10 DHCDRO CCN(CC)c1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000809703298 1026599700 /nfs/dbraw/zinc/59/97/00/1026599700.db2.gz HSANNGNWJYMCIJ-FXAWDEMLSA-N 1 0 315.505 3.591 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000809713569 1026601125 /nfs/dbraw/zinc/60/11/25/1026601125.db2.gz UAQGPRSJYVOABS-KBPBESRZSA-N 1 0 310.235 3.823 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)[C@@H](C)CO)cc1 ZINC000809743134 1026613271 /nfs/dbraw/zinc/61/32/71/1026613271.db2.gz RIRZHEJZSXSOTA-KRWDZBQOSA-N 1 0 312.457 3.526 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1O ZINC000809749004 1026614013 /nfs/dbraw/zinc/61/40/13/1026614013.db2.gz IHYVRGATEKQLPR-UHFFFAOYSA-N 1 0 313.445 3.590 20 10 DHCDRO C[N@H+](CCCn1ccnc1)Cc1cc(-c2ccccc2)ccc1O ZINC000809752496 1026615550 /nfs/dbraw/zinc/61/55/50/1026615550.db2.gz FDCXGHRSFCLYOO-UHFFFAOYSA-N 1 0 321.424 3.778 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000809765814 1026619953 /nfs/dbraw/zinc/61/99/53/1026619953.db2.gz RLEKRBVOGMUYLO-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809765521 1026621025 /nfs/dbraw/zinc/62/10/25/1026621025.db2.gz NSEGANLEUGTAJA-OXQOHEQNSA-N 1 0 324.468 3.831 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(C)cc1O ZINC000280249573 1026624259 /nfs/dbraw/zinc/62/42/59/1026624259.db2.gz WNNKDOVTWFRQNV-CYGHRXIMSA-N 1 0 301.430 3.699 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1O ZINC000894239627 1026628839 /nfs/dbraw/zinc/62/88/39/1026628839.db2.gz KVLMKAOTXFVFLP-MRXNPFEDSA-N 1 0 301.361 3.625 20 10 DHCDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000809933032 1026641511 /nfs/dbraw/zinc/64/15/11/1026641511.db2.gz NXYQOTWPTYFPHG-UHFFFAOYSA-N 1 0 313.445 3.914 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810214851 1026707998 /nfs/dbraw/zinc/70/79/98/1026707998.db2.gz KDNAPBCQPPKGFL-OCCSQVGLSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218865 1026710110 /nfs/dbraw/zinc/71/01/10/1026710110.db2.gz DUYNTHWJQIRRQP-UONOGXRCSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227791 1026712675 /nfs/dbraw/zinc/71/26/75/1026712675.db2.gz JMZQYWVRYJZMMZ-TZMCWYRMSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226800 1026713121 /nfs/dbraw/zinc/71/31/21/1026713121.db2.gz LOJZZVIOKUDXKL-UONOGXRCSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810208440 1026718171 /nfs/dbraw/zinc/71/81/71/1026718171.db2.gz VHDHZGKDUFRBGR-DGCLKSJQSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810212126 1026718841 /nfs/dbraw/zinc/71/88/41/1026718841.db2.gz MFEJNFUSNVEXAJ-ZWNOBZJWSA-N 1 0 305.340 3.734 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1C ZINC000810259551 1026720228 /nfs/dbraw/zinc/72/02/28/1026720228.db2.gz LRMAXJLAZBPMME-RDJZCZTQSA-N 1 0 311.425 3.972 20 10 DHCDRO CC[C@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237073 1026724234 /nfs/dbraw/zinc/72/42/34/1026724234.db2.gz DWFZSVAQBDOXGE-GWCFXTLKSA-N 1 0 305.340 3.613 20 10 DHCDRO CCOc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001170624965 1026922121 /nfs/dbraw/zinc/92/21/21/1026922121.db2.gz PGGYCLPPJIRUCP-UHFFFAOYSA-N 1 0 314.473 3.819 20 10 DHCDRO CC1(C2CC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000811514390 1027029285 /nfs/dbraw/zinc/02/92/85/1027029285.db2.gz JGXJOVPIEFEIAC-UHFFFAOYSA-N 1 0 314.473 3.535 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@@H]1[C@@H]1CCCO1 ZINC000811777974 1027081545 /nfs/dbraw/zinc/08/15/45/1027081545.db2.gz WHHGIZISJKUMSN-RBUKOAKNSA-N 1 0 315.457 3.660 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811784025 1027090497 /nfs/dbraw/zinc/09/04/97/1027090497.db2.gz LWRGIBFRDIHBMY-IBGZPJMESA-N 1 0 322.452 3.646 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000811793251 1027094348 /nfs/dbraw/zinc/09/43/48/1027094348.db2.gz UVSDJPNQKIASQE-WMZOPIPTSA-N 1 0 301.430 3.543 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000271839471 1027156879 /nfs/dbraw/zinc/15/68/79/1027156879.db2.gz QORMKUDRSHBKQF-JTQLQIEISA-N 1 0 323.339 3.538 20 10 DHCDRO Cc1c([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccccc32)cnn1C ZINC000362431357 1027199202 /nfs/dbraw/zinc/19/92/02/1027199202.db2.gz HOVSDIUMVNGTIW-IBGZPJMESA-N 1 0 321.424 3.924 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1C ZINC000016877843 1027288978 /nfs/dbraw/zinc/28/89/78/1027288978.db2.gz POVLPTDZIASGJR-UHFFFAOYSA-N 1 0 321.424 3.827 20 10 DHCDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Cl)ccc1O ZINC000812736974 1027382586 /nfs/dbraw/zinc/38/25/86/1027382586.db2.gz KUSPYUKRVDXSHO-LLVKDONJSA-N 1 0 319.836 3.509 20 10 DHCDRO COc1cccc(C[NH2+]CCc2ccc(Cl)c(C)c2)c1O ZINC000812772831 1027398460 /nfs/dbraw/zinc/39/84/60/1027398460.db2.gz JXCCYZWKMFHTLL-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295816761 1027442989 /nfs/dbraw/zinc/44/29/89/1027442989.db2.gz DBOATQYNVMPVCX-QGZVFWFLSA-N 1 0 324.424 3.908 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1nccs1 ZINC000894281227 1027527489 /nfs/dbraw/zinc/52/74/89/1027527489.db2.gz SHYWIDMFVMVCCP-MRXNPFEDSA-N 1 0 306.431 3.581 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000363157787 1027541582 /nfs/dbraw/zinc/54/15/82/1027541582.db2.gz NJBDFYWSZNEHCT-GFCCVEGCSA-N 1 0 310.388 3.645 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000296238708 1027583325 /nfs/dbraw/zinc/58/33/25/1027583325.db2.gz ASQBCTCDADRXHO-NEPJUHHUSA-N 1 0 305.340 3.709 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C\c2ccccc2OC)c1 ZINC000813331775 1027608858 /nfs/dbraw/zinc/60/88/58/1027608858.db2.gz USNNRPNFEBXRHF-IQCBXXCUSA-N 1 0 313.397 3.773 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000813331770 1027609165 /nfs/dbraw/zinc/60/91/65/1027609165.db2.gz UMQQHLSEQZDVPB-VIFPVBQESA-N 1 0 311.303 3.669 20 10 DHCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000158688330 1027612541 /nfs/dbraw/zinc/61/25/41/1027612541.db2.gz OCWFUXCLXMUHSI-UHFFFAOYSA-N 1 0 310.441 3.545 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(OC)CCCCC2)ccc1OC ZINC000187438833 1027654733 /nfs/dbraw/zinc/65/47/33/1027654733.db2.gz LGYHKQDRASGPPE-UHFFFAOYSA-N 1 0 321.461 3.671 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000296525473 1027660650 /nfs/dbraw/zinc/66/06/50/1027660650.db2.gz RIFHVFJXAODJBY-ZHALLVOQSA-N 1 0 309.409 3.889 20 10 DHCDRO CCSc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccn1 ZINC000296568708 1027672253 /nfs/dbraw/zinc/67/22/53/1027672253.db2.gz UXCQBOZSFLVCJU-AWEZNQCLSA-N 1 0 300.427 3.676 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813886389 1027754105 /nfs/dbraw/zinc/75/41/05/1027754105.db2.gz AZHRSHAKRFLHDQ-JOYOIKCWSA-N 1 0 304.365 3.728 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000779020632 1027853011 /nfs/dbraw/zinc/85/30/11/1027853011.db2.gz NSKLWRNNSLNVSV-AWEZNQCLSA-N 1 0 303.352 3.735 20 10 DHCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000779021054 1027871899 /nfs/dbraw/zinc/87/18/99/1027871899.db2.gz QPIPGKHTCDUGFE-GOSISDBHSA-N 1 0 314.404 3.632 20 10 DHCDRO Cc1ccoc1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000814174779 1027910706 /nfs/dbraw/zinc/91/07/06/1027910706.db2.gz JSEVNJHDRUDIEW-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814179008 1027916648 /nfs/dbraw/zinc/91/66/48/1027916648.db2.gz MRRUWAJXIRDLOE-OAHLLOKOSA-N 1 0 303.406 3.569 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)C1)OCO2 ZINC000814226408 1027963322 /nfs/dbraw/zinc/96/33/22/1027963322.db2.gz WMXJNWGCNPERDW-HNNXBMFYSA-N 1 0 311.381 3.501 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614511 1027983633 /nfs/dbraw/zinc/98/36/33/1027983633.db2.gz UMLMTZRKEKHVDW-ZFWWWQNUSA-N 1 0 305.809 3.640 20 10 DHCDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000814300404 1028002656 /nfs/dbraw/zinc/00/26/56/1028002656.db2.gz LUFBPWGWBMYTEX-JCNLHEQBSA-N 1 0 320.452 3.721 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(F)cc1[O-] ZINC000527960651 1028004491 /nfs/dbraw/zinc/00/44/91/1028004491.db2.gz CPVOIDAPNUHZIT-MRXNPFEDSA-N 1 0 313.376 3.659 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(F)cc1[O-] ZINC000527960650 1028006248 /nfs/dbraw/zinc/00/62/48/1028006248.db2.gz CPVOIDAPNUHZIT-INIZCTEOSA-N 1 0 313.376 3.659 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527965256 1028008248 /nfs/dbraw/zinc/00/82/48/1028008248.db2.gz LURRVRMBKFDGPT-ORAYPTAESA-N 1 0 312.413 3.988 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccccc1O ZINC000528043640 1028059393 /nfs/dbraw/zinc/05/93/93/1028059393.db2.gz OSLXLJAVASXHQE-VQIMIIECSA-N 1 0 312.413 3.988 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C2CC2)cn1 ZINC000528044192 1028073687 /nfs/dbraw/zinc/07/36/87/1028073687.db2.gz RYRNYXVOINNNSQ-YJYMSZOUSA-N 1 0 312.413 3.906 20 10 DHCDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1ccc(F)cn1 ZINC000779063878 1028136606 /nfs/dbraw/zinc/13/66/06/1028136606.db2.gz BKTWBXIIVKGROB-GFCCVEGCSA-N 1 0 311.451 3.900 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000779087372 1028221521 /nfs/dbraw/zinc/22/15/21/1028221521.db2.gz LBDVSUILGPMSOF-OAVHHTNSSA-N 1 0 301.361 3.574 20 10 DHCDRO CC(C)Oc1ncccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000048760465 1028235295 /nfs/dbraw/zinc/23/52/95/1028235295.db2.gz XNRGYPVHLJWHGM-UHFFFAOYSA-N 1 0 306.793 3.518 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1OCCc2sccc21 ZINC000368370190 1028346023 /nfs/dbraw/zinc/34/60/23/1028346023.db2.gz NPZLNDAGYSHHDP-MGPLVRAMSA-N 1 0 323.845 3.899 20 10 DHCDRO Cc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)ccc1N(C)C ZINC000815062441 1028345837 /nfs/dbraw/zinc/34/58/37/1028345837.db2.gz UFKNDCHPEFFCPU-MRXNPFEDSA-N 1 0 312.457 3.830 20 10 DHCDRO Cc1cc(C[NH+]2CCC(c3cccnc3)CC2)ccc1N(C)C ZINC000815081101 1028354862 /nfs/dbraw/zinc/35/48/62/1028354862.db2.gz SASDYGLKSQLKPS-UHFFFAOYSA-N 1 0 309.457 3.836 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2conc2C)c(C)n1-c1ccccc1 ZINC000815113088 1028360035 /nfs/dbraw/zinc/36/00/35/1028360035.db2.gz NTZKEMIDINFMTN-UHFFFAOYSA-N 1 0 309.413 3.723 20 10 DHCDRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815118967 1028365125 /nfs/dbraw/zinc/36/51/25/1028365125.db2.gz NWROIWXOJDAMLI-MOPGFXCFSA-N 1 0 314.473 3.595 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000815093790 1028375690 /nfs/dbraw/zinc/37/56/90/1028375690.db2.gz SVLNGLZJXPTZFO-KBXCAEBGSA-N 1 0 324.424 3.883 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000815108919 1028382106 /nfs/dbraw/zinc/38/21/06/1028382106.db2.gz QBFAKQPUXCEHGH-SWLSCSKDSA-N 1 0 300.368 3.915 20 10 DHCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815162536 1028389252 /nfs/dbraw/zinc/38/92/52/1028389252.db2.gz HAAHOZMDWNKLDI-MRXNPFEDSA-N 1 0 320.452 3.578 20 10 DHCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000815147426 1028402055 /nfs/dbraw/zinc/40/20/55/1028402055.db2.gz AABDYKGHUUKXDC-FQEVSTJZSA-N 1 0 316.489 3.708 20 10 DHCDRO COc1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1C ZINC000815149104 1028402792 /nfs/dbraw/zinc/40/27/92/1028402792.db2.gz ZOOGNKWXESAWPW-UHFFFAOYSA-N 1 0 324.346 3.750 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000368798714 1028410328 /nfs/dbraw/zinc/41/03/28/1028410328.db2.gz SQCHVCQFJPKZAZ-CHWSQXEVSA-N 1 0 318.442 3.798 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000368798717 1028410835 /nfs/dbraw/zinc/41/08/35/1028410835.db2.gz SQCHVCQFJPKZAZ-STQMWFEESA-N 1 0 318.442 3.798 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000188694117 1028524911 /nfs/dbraw/zinc/52/49/11/1028524911.db2.gz GKFHEDSVXCXKQS-UHFFFAOYSA-N 1 0 303.427 3.842 20 10 DHCDRO COC[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815566379 1028545691 /nfs/dbraw/zinc/54/56/91/1028545691.db2.gz RPXPWDSQUGKGJC-LPHOPBHVSA-N 1 0 313.441 3.938 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000369928992 1028547708 /nfs/dbraw/zinc/54/77/08/1028547708.db2.gz GFCAPGQSFIOAQB-DOTOQJQBSA-N 1 0 303.427 3.978 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cc[nH]n1 ZINC000815576944 1028551667 /nfs/dbraw/zinc/55/16/67/1028551667.db2.gz CCCAPZHVWZXMFE-GOSISDBHSA-N 1 0 307.397 3.579 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815582691 1028554537 /nfs/dbraw/zinc/55/45/37/1028554537.db2.gz MXOFFTSHSZFCNY-HKUYNNGSSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000815595944 1028561789 /nfs/dbraw/zinc/56/17/89/1028561789.db2.gz GQOOLVXZRHUSOQ-FPTDNZKUSA-N 1 0 317.454 3.597 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000815599747 1028564627 /nfs/dbraw/zinc/56/46/27/1028564627.db2.gz ZRPSHXRRMFDVDR-CQSZACIVSA-N 1 0 314.385 3.811 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815574520 1028566286 /nfs/dbraw/zinc/56/62/86/1028566286.db2.gz SXCCNQNIXZLEAK-OAHLLOKOSA-N 1 0 314.429 3.880 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c(O)c1 ZINC000815623482 1028574823 /nfs/dbraw/zinc/57/48/23/1028574823.db2.gz YTHLVSRNLXDYSY-FUHWJXTLSA-N 1 0 313.441 3.653 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625188 1028577298 /nfs/dbraw/zinc/57/72/98/1028577298.db2.gz WVEAOSKVFHDRLH-KXBFYZLASA-N 1 0 313.441 3.956 20 10 DHCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000815628884 1028578900 /nfs/dbraw/zinc/57/89/00/1028578900.db2.gz MWHVRGIOYZTNEW-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)cc3)C2)cc1 ZINC000076360740 1028586910 /nfs/dbraw/zinc/58/69/10/1028586910.db2.gz ITZAJNWWAZOLAF-GOSISDBHSA-N 1 0 310.441 3.620 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(N2CCOCC2)cc1Cl ZINC000815645479 1028589488 /nfs/dbraw/zinc/58/94/88/1028589488.db2.gz HAOIWUQMBVQHEO-QWHCGFSZSA-N 1 0 314.832 3.575 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815641137 1028589515 /nfs/dbraw/zinc/58/95/15/1028589515.db2.gz QOAWFPGVHHYHIP-XPTSAGLGSA-N 1 0 304.365 3.728 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000815651150 1028595887 /nfs/dbraw/zinc/59/58/87/1028595887.db2.gz LKMHKSJIIXAPIX-LIRRHRJNSA-N 1 0 320.452 3.892 20 10 DHCDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000189739738 1028676664 /nfs/dbraw/zinc/67/66/64/1028676664.db2.gz LTVPIYSLFTWKIB-GOSISDBHSA-N 1 0 302.462 3.724 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371326623 1028690065 /nfs/dbraw/zinc/69/00/65/1028690065.db2.gz JORIOCGVDQNCKM-OALUTQOASA-N 1 0 314.473 3.535 20 10 DHCDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371332666 1028693104 /nfs/dbraw/zinc/69/31/04/1028693104.db2.gz AQGBSPFVWAOPRI-YOFSQIOKSA-N 1 0 314.473 3.555 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000779202604 1028703432 /nfs/dbraw/zinc/70/34/32/1028703432.db2.gz PZBXTZGOVMVFOR-SFHVURJKSA-N 1 0 304.478 3.660 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000372603339 1028873399 /nfs/dbraw/zinc/87/33/99/1028873399.db2.gz ZZKAZLGJAOFRQW-KRWDZBQOSA-N 1 0 311.429 3.821 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000372965006 1028927851 /nfs/dbraw/zinc/92/78/51/1028927851.db2.gz AUKXYNBTCDMJEK-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO CO[C@H](CC[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816588698 1028938101 /nfs/dbraw/zinc/93/81/01/1028938101.db2.gz VZIQCJXGUSGEDD-CQSZACIVSA-N 1 0 313.319 3.602 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000816592282 1028938356 /nfs/dbraw/zinc/93/83/56/1028938356.db2.gz FSEPNJLCLDLTJS-MRVPVSSYSA-N 1 0 311.706 3.959 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCSc1nccs1 ZINC000816553066 1028940531 /nfs/dbraw/zinc/94/05/31/1028940531.db2.gz HSEIRBPJGHBWCS-LBPRGKRZSA-N 1 0 308.472 3.552 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C12CCC2 ZINC000816551751 1028941363 /nfs/dbraw/zinc/94/13/63/1028941363.db2.gz NVAQXCIIVPEQSB-ZWKOTPCHSA-N 1 0 311.425 3.983 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000373112562 1028956568 /nfs/dbraw/zinc/95/65/68/1028956568.db2.gz MCIYPQAVMDQTOY-UHFFFAOYSA-N 1 0 315.388 3.713 20 10 DHCDRO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816610051 1028958890 /nfs/dbraw/zinc/95/88/90/1028958890.db2.gz WKUOGVJKJDFBCF-KXBFYZLASA-N 1 0 310.441 3.604 20 10 DHCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816603684 1028960486 /nfs/dbraw/zinc/96/04/86/1028960486.db2.gz NIHDFLSYUVSKRG-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO CCc1ccc([C@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000816619855 1028967974 /nfs/dbraw/zinc/96/79/74/1028967974.db2.gz YHZGDOYNVADHEL-KRWDZBQOSA-N 1 0 311.425 3.953 20 10 DHCDRO CCOCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000816639632 1028968099 /nfs/dbraw/zinc/96/80/99/1028968099.db2.gz ZFIADZZOKHHUIE-UHFFFAOYSA-N 1 0 318.383 3.676 20 10 DHCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000816644079 1028973066 /nfs/dbraw/zinc/97/30/66/1028973066.db2.gz BPSBTJRNZWUOPY-UHFFFAOYSA-N 1 0 314.832 3.540 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)Cc1ccccc1O ZINC000373594310 1029091511 /nfs/dbraw/zinc/09/15/11/1029091511.db2.gz NVDCJZGERKRUIF-AWEZNQCLSA-N 1 0 302.443 3.709 20 10 DHCDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817413277 1029152896 /nfs/dbraw/zinc/15/28/96/1029152896.db2.gz VNFLLCQQTPOTMC-JKSUJKDBSA-N 1 0 311.425 3.510 20 10 DHCDRO COC1([C@H](C)[NH2+]CCCSc2nccs2)CCCC1 ZINC000817577164 1029204742 /nfs/dbraw/zinc/20/47/42/1029204742.db2.gz FGINXPMNOZQRDL-LBPRGKRZSA-N 1 0 300.493 3.563 20 10 DHCDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000817586033 1029214009 /nfs/dbraw/zinc/21/40/09/1029214009.db2.gz KZSZVAPIPYKLLD-AWEZNQCLSA-N 1 0 303.446 3.617 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000817589856 1029216767 /nfs/dbraw/zinc/21/67/67/1029216767.db2.gz QKHPSKKDZLDWPL-HOCLYGCPSA-N 1 0 304.503 3.937 20 10 DHCDRO CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1O ZINC000155327476 1029223846 /nfs/dbraw/zinc/22/38/46/1029223846.db2.gz MTEJGFPJNWGKAL-HNNXBMFYSA-N 1 0 309.413 3.942 20 10 DHCDRO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000817900452 1029269122 /nfs/dbraw/zinc/26/91/22/1029269122.db2.gz SRSWYMAMQIVEBU-PMACEKPBSA-N 1 0 307.441 3.521 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnccc1N ZINC000817902691 1029271789 /nfs/dbraw/zinc/27/17/89/1029271789.db2.gz XCSPJSZYXGXEBX-MRXNPFEDSA-N 1 0 324.472 3.581 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnccc1N ZINC000817902690 1029272958 /nfs/dbraw/zinc/27/29/58/1029272958.db2.gz XCSPJSZYXGXEBX-INIZCTEOSA-N 1 0 324.472 3.581 20 10 DHCDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938502 1029281033 /nfs/dbraw/zinc/28/10/33/1029281033.db2.gz LTSSXHXXEBSJJO-OXJNMPFZSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1ccc([C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000817942818 1029281663 /nfs/dbraw/zinc/28/16/63/1029281663.db2.gz RBPHIVKOXQIFMW-LEWJYISDSA-N 1 0 323.484 3.802 20 10 DHCDRO CCC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817941172 1029282134 /nfs/dbraw/zinc/28/21/34/1029282134.db2.gz JGUMAPNTGRGUMD-ZWKOTPCHSA-N 1 0 317.502 3.945 20 10 DHCDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940004 1029284232 /nfs/dbraw/zinc/28/42/32/1029284232.db2.gz DTOJPNWGEQWTLM-AUUYWEPGSA-N 1 0 315.436 3.551 20 10 DHCDRO CCC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817941163 1029285050 /nfs/dbraw/zinc/28/50/50/1029285050.db2.gz JGUMAPNTGRGUMD-MSOLQXFVSA-N 1 0 317.502 3.945 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000817942201 1029288486 /nfs/dbraw/zinc/28/84/86/1029288486.db2.gz MVNCWRUIXJZQKS-QKNQBKEWSA-N 1 0 323.484 3.678 20 10 DHCDRO CC[NH2+]CCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942871 1029288780 /nfs/dbraw/zinc/28/87/80/1029288780.db2.gz GWIPYIHDXDECIH-CYBMUJFWSA-N 1 0 305.249 3.739 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817943320 1029288975 /nfs/dbraw/zinc/28/89/75/1029288975.db2.gz UJKSWHIAKNWGRI-RTBURBONSA-N 1 0 315.436 3.632 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000817942206 1029289079 /nfs/dbraw/zinc/28/90/79/1029289079.db2.gz MVNCWRUIXJZQKS-SVFBPWRDSA-N 1 0 323.484 3.678 20 10 DHCDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000817952280 1029292784 /nfs/dbraw/zinc/29/27/84/1029292784.db2.gz DGVBHLFYZITFNF-ROUUACIJSA-N 1 0 310.441 3.793 20 10 DHCDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCc1ccc(N)cc1 ZINC000817956717 1029297587 /nfs/dbraw/zinc/29/75/87/1029297587.db2.gz BBWWJLXQNUOCBC-CYBMUJFWSA-N 1 0 304.384 3.700 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959423 1029301111 /nfs/dbraw/zinc/30/11/11/1029301111.db2.gz REMFYFNMXMUJNE-RYUDHWBXSA-N 1 0 305.249 3.723 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969274 1029307336 /nfs/dbraw/zinc/30/73/36/1029307336.db2.gz AREHRDQWZUGILQ-IIMNLJJBSA-N 1 0 317.260 3.738 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1C ZINC000817975228 1029314330 /nfs/dbraw/zinc/31/43/30/1029314330.db2.gz RPTQSYFURASTOA-BEFAXECRSA-N 1 0 310.441 3.547 20 10 DHCDRO CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984119 1029322971 /nfs/dbraw/zinc/32/29/71/1029322971.db2.gz NKIUVDIGHSZQNZ-CQSZACIVSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccsc3C)C2)cc1 ZINC000818222516 1029356254 /nfs/dbraw/zinc/35/62/54/1029356254.db2.gz UKKWXMVYJWTYMC-HNNXBMFYSA-N 1 0 316.470 3.681 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000818222487 1029356932 /nfs/dbraw/zinc/35/69/32/1029356932.db2.gz YBCTWQFFKSQZDG-KRWDZBQOSA-N 1 0 302.462 3.691 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000818341755 1029373531 /nfs/dbraw/zinc/37/35/31/1029373531.db2.gz FWRDQOHNCFMFMU-YSGRDPCXSA-N 1 0 314.473 3.690 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342234 1029373780 /nfs/dbraw/zinc/37/37/80/1029373780.db2.gz NMLQVHATKVHABB-MDZRGWNJSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000320819492 1029388328 /nfs/dbraw/zinc/38/83/28/1029388328.db2.gz FBTXWNAMRCOEDX-ABAIWWIYSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094413 1029472272 /nfs/dbraw/zinc/47/22/72/1029472272.db2.gz GFMPMHNZOKGWAV-OAQYLSRUSA-N 1 0 322.452 3.503 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(OC)c1OC ZINC000865758489 1030006167 /nfs/dbraw/zinc/00/61/67/1030006167.db2.gz IMVJATUTNJERKN-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC=C(C)CC3)C2)cc1 ZINC000822494185 1030029290 /nfs/dbraw/zinc/02/92/90/1030029290.db2.gz IQRXFZDHPVGWQM-IAGOWNOFSA-N 1 0 300.446 3.610 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1 ZINC000865855350 1030062135 /nfs/dbraw/zinc/06/21/35/1030062135.db2.gz YTFAORXMFSVYJH-LBPRGKRZSA-N 1 0 312.369 3.783 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924575312 1030126277 /nfs/dbraw/zinc/12/62/77/1030126277.db2.gz UQDDZTADKHSQOI-QGZVFWFLSA-N 1 0 315.848 3.968 20 10 DHCDRO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCCC4)cc3)C2)CO1 ZINC000924648820 1030150234 /nfs/dbraw/zinc/15/02/34/1030150234.db2.gz OCXNUJUSPFLJMH-UHFFFAOYSA-N 1 0 314.473 3.724 20 10 DHCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000924650424 1030153108 /nfs/dbraw/zinc/15/31/08/1030153108.db2.gz YDWCBJFCIHHNAS-HNNXBMFYSA-N 1 0 311.429 3.541 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000822870000 1030155116 /nfs/dbraw/zinc/15/51/16/1030155116.db2.gz PGHBZQQHEBDIDO-YPMHNXCESA-N 1 0 301.261 3.987 20 10 DHCDRO C[C@@H](CCc1cccnc1)[NH2+]CCCSc1nccs1 ZINC000866268944 1030193545 /nfs/dbraw/zinc/19/35/45/1030193545.db2.gz AVWUVQUUYLTJGY-ZDUSSCGKSA-N 1 0 307.488 3.631 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925077809 1030265698 /nfs/dbraw/zinc/26/56/98/1030265698.db2.gz CJCKUQNMTWTAOP-OAHLLOKOSA-N 1 0 312.461 3.833 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925077808 1030267261 /nfs/dbraw/zinc/26/72/61/1030267261.db2.gz CJCKUQNMTWTAOP-HNNXBMFYSA-N 1 0 312.461 3.833 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H](O)C(F)(F)F ZINC000866464736 1030308199 /nfs/dbraw/zinc/30/81/99/1030308199.db2.gz YKIMUBOFQPOMEF-WMFXKJRFSA-N 1 0 313.319 3.508 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c(O)c1C ZINC000866479471 1030316280 /nfs/dbraw/zinc/31/62/80/1030316280.db2.gz UIYMZSILPVRJBR-HNNXBMFYSA-N 1 0 311.425 3.933 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485264 1030320645 /nfs/dbraw/zinc/32/06/45/1030320645.db2.gz HSLVNMAOPMAACQ-YGRLFVJLSA-N 1 0 310.353 3.577 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000866513614 1030340323 /nfs/dbraw/zinc/34/03/23/1030340323.db2.gz WVBZYWUUOFUTAP-XTQGRXLLSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2O ZINC000866538261 1030357849 /nfs/dbraw/zinc/35/78/49/1030357849.db2.gz PWENHZQQIHSLQB-DSRCVFDASA-N 1 0 319.420 3.732 20 10 DHCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000823756911 1030390486 /nfs/dbraw/zinc/39/04/86/1030390486.db2.gz FFIBNMCZQRUNJO-IBGZPJMESA-N 1 0 302.462 3.832 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000823789708 1030402386 /nfs/dbraw/zinc/40/23/86/1030402386.db2.gz PZBPMQFXPBSLSZ-INIZCTEOSA-N 1 0 316.470 3.653 20 10 DHCDRO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000823837371 1030408252 /nfs/dbraw/zinc/40/82/52/1030408252.db2.gz VTAVRWXGKDMESP-FRQCXROJSA-N 1 0 302.462 3.578 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)c1O ZINC000866621793 1030409842 /nfs/dbraw/zinc/40/98/42/1030409842.db2.gz KCZSTVZAJIGKEF-NEPJUHHUSA-N 1 0 312.369 3.954 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634948 1030416446 /nfs/dbraw/zinc/41/64/46/1030416446.db2.gz WDALFBQHPBMXFT-UONOGXRCSA-N 1 0 305.809 3.818 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000121644525 1030455230 /nfs/dbraw/zinc/45/52/30/1030455230.db2.gz BYLJDSFFXNZPCH-KRWDZBQOSA-N 1 0 322.452 3.594 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824695762 1030613205 /nfs/dbraw/zinc/61/32/05/1030613205.db2.gz CJRNXQCDICPTJG-BBWFWOEESA-N 1 0 323.864 3.870 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000824690790 1030614251 /nfs/dbraw/zinc/61/42/51/1030614251.db2.gz LYWLBSOCJDFPFG-QGZVFWFLSA-N 1 0 319.832 3.828 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824798898 1030640634 /nfs/dbraw/zinc/64/06/34/1030640634.db2.gz IPLBXDUZQIZCAG-XJKSGUPXSA-N 1 0 311.853 3.895 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926811 1030674565 /nfs/dbraw/zinc/67/45/65/1030674565.db2.gz HKQBZJPCJVZJTC-BLLLJJGKSA-N 1 0 319.836 3.634 20 10 DHCDRO CCOc1cccc(C[NH2+]CCCOC2CCCCC2)c1O ZINC000074337032 1030688393 /nfs/dbraw/zinc/68/83/93/1030688393.db2.gz YOMHSCOCKYIHFK-UHFFFAOYSA-N 1 0 307.434 3.620 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC000824988628 1030694177 /nfs/dbraw/zinc/69/41/77/1030694177.db2.gz PSPLSCCZZPAYHT-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000825046747 1030706250 /nfs/dbraw/zinc/70/62/50/1030706250.db2.gz XIWVADBMUIBZJP-OAHLLOKOSA-N 1 0 321.424 3.514 20 10 DHCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000825098384 1030711440 /nfs/dbraw/zinc/71/14/40/1030711440.db2.gz HXSSBYGRDKRXTA-VLIAUNLRSA-N 1 0 311.425 3.962 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133920 1030729529 /nfs/dbraw/zinc/72/95/29/1030729529.db2.gz QDSJDLSPNUPAEU-HXUWFJFHSA-N 1 0 314.473 3.679 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000825133258 1030734718 /nfs/dbraw/zinc/73/47/18/1030734718.db2.gz AYBREEIRXKUWGS-LJQANCHMSA-N 1 0 302.462 3.535 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825252878 1030758415 /nfs/dbraw/zinc/75/84/15/1030758415.db2.gz AFAACCXWKCTNOM-ICSRJNTNSA-N 1 0 314.473 3.580 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825252883 1030759351 /nfs/dbraw/zinc/75/93/51/1030759351.db2.gz AFAACCXWKCTNOM-UYAOXDASSA-N 1 0 314.473 3.580 20 10 DHCDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825366269 1030790521 /nfs/dbraw/zinc/79/05/21/1030790521.db2.gz UUQFXRGKAIEKLB-JTQLQIEISA-N 1 0 308.809 3.852 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccsc1)OCO2 ZINC000054513361 1030980958 /nfs/dbraw/zinc/98/09/58/1030980958.db2.gz IINHQHRJWYQSLP-ZDUSSCGKSA-N 1 0 303.383 3.520 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000926918337 1030992141 /nfs/dbraw/zinc/99/21/41/1030992141.db2.gz ZVVSOKOROREZBR-ZOWXZIJZSA-N 1 0 317.351 3.851 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c(O)c1 ZINC000926930620 1031001916 /nfs/dbraw/zinc/00/19/16/1031001916.db2.gz JBMDRMVVROKALD-GFCCVEGCSA-N 1 0 302.443 3.539 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000927036424 1031043872 /nfs/dbraw/zinc/04/38/72/1031043872.db2.gz BXGVKHNZYVBPAE-LVIIFESRSA-N 1 0 324.415 3.728 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000927070272 1031069783 /nfs/dbraw/zinc/06/97/83/1031069783.db2.gz RGVQNEYJZAEIAP-UHCFXLPNSA-N 1 0 319.420 3.874 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc(Cl)ccc1O ZINC000927090314 1031079945 /nfs/dbraw/zinc/07/99/45/1031079945.db2.gz KWDFJEABOYJURB-LLVKDONJSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2O ZINC000927090182 1031082661 /nfs/dbraw/zinc/08/26/61/1031082661.db2.gz JJCSLEJIUVHMLJ-XHDPSFHLSA-N 1 0 313.372 3.804 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1O ZINC000927107942 1031095611 /nfs/dbraw/zinc/09/56/11/1031095611.db2.gz NOECPRKOBGYDDV-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c(O)c1C ZINC000927139542 1031114451 /nfs/dbraw/zinc/11/44/51/1031114451.db2.gz MLBAXBRPHYLSLI-KYNGSXCRSA-N 1 0 311.425 3.708 20 10 DHCDRO Cc1ccc(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000123434463 1031117470 /nfs/dbraw/zinc/11/74/70/1031117470.db2.gz KJKFQYZTEJUKSV-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1O ZINC000292859478 1031219666 /nfs/dbraw/zinc/21/96/66/1031219666.db2.gz ZYSPHERFHGFQSU-KOMQPUFPSA-N 1 0 301.361 3.576 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144187937 1031322402 /nfs/dbraw/zinc/32/24/02/1031322402.db2.gz PLBDLURQVLUJDW-UHFFFAOYSA-N 1 0 308.429 3.651 20 10 DHCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144308092 1031459148 /nfs/dbraw/zinc/45/91/48/1031459148.db2.gz OKQVDBIXXKDGBO-ZDUSSCGKSA-N 1 0 316.214 3.914 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2CC(Nc3ccccc3)C2)c1O ZINC000872132849 1031525752 /nfs/dbraw/zinc/52/57/52/1031525752.db2.gz IARRMMMNVXLYIO-JEYLPNPQSA-N 1 0 312.413 3.695 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1O ZINC000872260077 1031565553 /nfs/dbraw/zinc/56/55/53/1031565553.db2.gz IBYBYOFFOVYSFT-QGZVFWFLSA-N 1 0 319.445 3.715 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000124049133 1031588375 /nfs/dbraw/zinc/58/83/75/1031588375.db2.gz DXDMGVMYCDGJAN-LJQANCHMSA-N 1 0 310.441 3.928 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c(O)c1 ZINC000293842764 1031652731 /nfs/dbraw/zinc/65/27/31/1031652731.db2.gz SYCNMFIEMYCTTJ-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000293912891 1031693862 /nfs/dbraw/zinc/69/38/62/1031693862.db2.gz LWPGCYLVHZNYOV-HNNXBMFYSA-N 1 0 306.768 3.917 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ncc(C)s3)C2)c1 ZINC000361048229 1031697243 /nfs/dbraw/zinc/69/72/43/1031697243.db2.gz KODCJZTUPBZMLH-ZDUSSCGKSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)nc1 ZINC000873185484 1031748212 /nfs/dbraw/zinc/74/82/12/1031748212.db2.gz VUJIHBLUEXKKFM-LLVKDONJSA-N 1 0 322.330 3.886 20 10 DHCDRO CCc1cccc(F)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845973279 1031787922 /nfs/dbraw/zinc/78/79/22/1031787922.db2.gz YEHOBTOIRHIDEX-LBPRGKRZSA-N 1 0 303.377 3.953 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1O ZINC000845992505 1031796084 /nfs/dbraw/zinc/79/60/84/1031796084.db2.gz NABHPLQNDMQDIP-HNNXBMFYSA-N 1 0 300.358 3.850 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019099 1031810617 /nfs/dbraw/zinc/81/06/17/1031810617.db2.gz XQDKQKPJZPORFS-BDJLRTHQSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1ccccc1C1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000845995674 1031814616 /nfs/dbraw/zinc/81/46/16/1031814616.db2.gz ZLJMQTRLWLRWSO-UHFFFAOYSA-N 1 0 311.381 3.598 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000846057296 1031816936 /nfs/dbraw/zinc/81/69/36/1031816936.db2.gz GLNKDCGDMUWTJK-AWEZNQCLSA-N 1 0 324.833 3.643 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c(O)c1 ZINC000846031845 1031822542 /nfs/dbraw/zinc/82/25/42/1031822542.db2.gz CPIMRHZMQPXTJY-GJZGRUSLSA-N 1 0 301.789 3.585 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000846118827 1031865357 /nfs/dbraw/zinc/86/53/57/1031865357.db2.gz ZODMWMAWAJFZJK-MRXNPFEDSA-N 1 0 312.379 3.903 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000294200210 1031867018 /nfs/dbraw/zinc/86/70/18/1031867018.db2.gz KSXDUOHVWFAAJN-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846105383 1031879828 /nfs/dbraw/zinc/87/98/28/1031879828.db2.gz TVHIVPBSWWRJFR-IVZVJUQRSA-N 1 0 306.400 3.887 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)c1O ZINC000846150002 1031882287 /nfs/dbraw/zinc/88/22/87/1031882287.db2.gz VZXDVWPBNQXUSP-BZNIZROVSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)c1O ZINC000846151519 1031884972 /nfs/dbraw/zinc/88/49/72/1031884972.db2.gz ZLUDQEGPVUHGKV-RHSMWYFYSA-N 1 0 314.429 3.886 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1Cl ZINC000846153564 1031885191 /nfs/dbraw/zinc/88/51/91/1031885191.db2.gz JZPYWJKBUBJDNZ-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1O ZINC000846152442 1031885210 /nfs/dbraw/zinc/88/52/10/1031885210.db2.gz AZVTVXNPMZWFQC-JTQLQIEISA-N 1 0 304.415 3.586 20 10 DHCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000897971337 1031885130 /nfs/dbraw/zinc/88/51/30/1031885130.db2.gz XUNGOQVSYHXAJZ-KRWDZBQOSA-N 1 0 309.457 3.793 20 10 DHCDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C[C@@H]1OC ZINC000846153155 1031886084 /nfs/dbraw/zinc/88/60/84/1031886084.db2.gz GRCMQNWJOVMEIG-MAZHCROVSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c1O ZINC000846152997 1031886336 /nfs/dbraw/zinc/88/63/36/1031886336.db2.gz WIVHIYAEBSVOMR-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C[C@H]1OC ZINC000846153151 1031886581 /nfs/dbraw/zinc/88/65/81/1031886581.db2.gz GRCMQNWJOVMEIG-APHBMKBZSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)Nc2ccc(C[NH+](C)C)c(F)c2)c1O ZINC000846162164 1031890993 /nfs/dbraw/zinc/89/09/93/1031890993.db2.gz IHLLQMRXQAYOIS-LBPRGKRZSA-N 1 0 318.392 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1O ZINC000846167702 1031893257 /nfs/dbraw/zinc/89/32/57/1031893257.db2.gz BHRYIDGRKOWFPK-HZUKXOBISA-N 1 0 301.361 3.747 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000846169590 1031896397 /nfs/dbraw/zinc/89/63/97/1031896397.db2.gz IFMKPFZKGCGFSK-CHWSQXEVSA-N 1 0 315.438 3.941 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)c1O ZINC000846168354 1031896599 /nfs/dbraw/zinc/89/65/99/1031896599.db2.gz SRROTGVPCHEDMF-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000846171428 1031897656 /nfs/dbraw/zinc/89/76/56/1031897656.db2.gz GPURJCJMXSSONQ-QWHCGFSZSA-N 1 0 307.459 3.585 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2ccccc2)c1O ZINC000846137623 1031899669 /nfs/dbraw/zinc/89/96/69/1031899669.db2.gz UOPPMLIQMOSGPZ-AWEZNQCLSA-N 1 0 301.386 3.521 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC)c1O ZINC000846135596 1031900268 /nfs/dbraw/zinc/90/02/68/1031900268.db2.gz DQAUNVCQCFMOFZ-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000846141956 1031900701 /nfs/dbraw/zinc/90/07/01/1031900701.db2.gz ORDPVAWODBOCPB-MEDUHNTESA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000846138236 1031901262 /nfs/dbraw/zinc/90/12/62/1031901262.db2.gz JBWKSHKRENATBT-NEPJUHHUSA-N 1 0 315.369 3.541 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(Cl)c2)c1O ZINC000846136509 1031901423 /nfs/dbraw/zinc/90/14/23/1031901423.db2.gz JKSWTBYLTAVXAU-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1O ZINC000846141228 1031902996 /nfs/dbraw/zinc/90/29/96/1031902996.db2.gz GGKLEPZYQUVNOV-XJKSGUPXSA-N 1 0 313.397 3.884 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cc(F)ccc2F)c1O ZINC000846143993 1031903545 /nfs/dbraw/zinc/90/35/45/1031903545.db2.gz FFKHLDYHSYIAAN-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)COc2ccc(C)cc2)c1O ZINC000846141101 1031903786 /nfs/dbraw/zinc/90/37/86/1031903786.db2.gz DJRQFIVCQCGFOU-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO CCC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142811 1031904175 /nfs/dbraw/zinc/90/41/75/1031904175.db2.gz BHDLCULQAWRMER-CZUORRHYSA-N 1 0 300.402 3.988 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1O ZINC000846141286 1031904781 /nfs/dbraw/zinc/90/47/81/1031904781.db2.gz HOZMWJRDDRTTIN-CJNGLKHVSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c1O ZINC000846144449 1031905775 /nfs/dbraw/zinc/90/57/75/1031905775.db2.gz DKODIWFOAXHXJK-ZQIUZPCESA-N 1 0 315.413 3.564 20 10 DHCDRO COCc1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)ccc1F ZINC000846145104 1031906292 /nfs/dbraw/zinc/90/62/92/1031906292.db2.gz MVXNKRFPELROPW-LBPRGKRZSA-N 1 0 319.376 3.537 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2ccccc2C)c1O ZINC000846146068 1031907448 /nfs/dbraw/zinc/90/74/48/1031907448.db2.gz PWVDAMDOVPQJBP-HNNXBMFYSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187022 1031920008 /nfs/dbraw/zinc/92/00/08/1031920008.db2.gz GXSLZFYZITVOGZ-AUUYWEPGSA-N 1 0 302.462 3.608 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000846188720 1031921032 /nfs/dbraw/zinc/92/10/32/1031921032.db2.gz OSWKOGPWBJZKSP-RZQQEMMASA-N 1 0 312.457 3.699 20 10 DHCDRO CCCN(Cc1c(C2CCC2)cnn1C)c1ccc(C[NH3+])cc1 ZINC000825710583 1031965106 /nfs/dbraw/zinc/96/51/06/1031965106.db2.gz UTLFIXIRCSTLGJ-UHFFFAOYSA-N 1 0 312.461 3.563 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124842999 1031980679 /nfs/dbraw/zinc/98/06/79/1031980679.db2.gz NYWQKMJWFJMWFE-OALUTQOASA-N 1 0 316.420 3.666 20 10 DHCDRO Cc1ccc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c(O)c1 ZINC000877470001 1033311525 /nfs/dbraw/zinc/31/15/25/1033311525.db2.gz CJGKSYRQISRIPG-CQSZACIVSA-N 1 0 323.396 3.525 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c(O)c1 ZINC000877538981 1033344418 /nfs/dbraw/zinc/34/44/18/1033344418.db2.gz HVTSTLZQSVLAKE-HXUWFJFHSA-N 1 0 323.436 3.884 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c(O)c1 ZINC000877576029 1033366802 /nfs/dbraw/zinc/36/68/02/1033366802.db2.gz CTHRQWYZNRAHBM-MRXNPFEDSA-N 1 0 305.443 3.612 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c(O)c1 ZINC000877607519 1033380210 /nfs/dbraw/zinc/38/02/10/1033380210.db2.gz HCRMSMPTBUDFFB-FQEVSTJZSA-N 1 0 323.436 3.860 20 10 DHCDRO Oc1ccc(C[NH2+]C2CCC(Cc3ccccc3)CC2)c(O)c1 ZINC001172819215 1033380679 /nfs/dbraw/zinc/38/06/79/1033380679.db2.gz CTICGHTWNLUMIH-UHFFFAOYSA-N 1 0 311.425 3.989 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000877637564 1033390629 /nfs/dbraw/zinc/39/06/29/1033390629.db2.gz WHXIJEPSWAAXDX-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000151075117 1033423903 /nfs/dbraw/zinc/42/39/03/1033423903.db2.gz QZRQTIYLRHGFEK-KRWDZBQOSA-N 1 0 310.441 3.682 20 10 DHCDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000151075089 1033423952 /nfs/dbraw/zinc/42/39/52/1033423952.db2.gz QZRQTIYLRHGFEK-QGZVFWFLSA-N 1 0 310.441 3.682 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1O ZINC000877755940 1033433225 /nfs/dbraw/zinc/43/32/25/1033433225.db2.gz UCQPBAINTAALEE-LLVKDONJSA-N 1 0 306.356 3.587 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000877812331 1033463307 /nfs/dbraw/zinc/46/33/07/1033463307.db2.gz MXPPLQCTRNSIFA-CQSZACIVSA-N 1 0 303.324 3.565 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000877814406 1033466919 /nfs/dbraw/zinc/46/69/19/1033466919.db2.gz YKDNKEKNWJEWPY-AWEZNQCLSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000927067153 1033493927 /nfs/dbraw/zinc/49/39/27/1033493927.db2.gz NRNMPLRDCOASPN-YJLNNSPDSA-N 1 0 302.462 3.608 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC001172951542 1033494327 /nfs/dbraw/zinc/49/43/27/1033494327.db2.gz SYRHZAQERMOIPQ-UONOGXRCSA-N 1 0 322.449 3.688 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001173219662 1033599925 /nfs/dbraw/zinc/59/99/25/1033599925.db2.gz OYXZHTIFEKZVAQ-QWHCGFSZSA-N 1 0 300.358 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1Cl ZINC000826029893 1033617952 /nfs/dbraw/zinc/61/79/52/1033617952.db2.gz LYCYEOBCNVJESP-UHFFFAOYSA-N 1 0 323.864 3.871 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc1Cl ZINC000878455016 1033713832 /nfs/dbraw/zinc/71/38/32/1033713832.db2.gz MSXOPSJWZKQPMB-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC000862369994 1033834365 /nfs/dbraw/zinc/83/43/65/1033834365.db2.gz GLHDQGCEOPFFCW-SECBINFHSA-N 1 0 320.177 3.632 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862398126 1033839332 /nfs/dbraw/zinc/83/93/32/1033839332.db2.gz YIMHGWPKZKZHLQ-KGLIPLIRSA-N 1 0 324.415 3.545 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000862442028 1033855185 /nfs/dbraw/zinc/85/51/85/1033855185.db2.gz GDIJTWZYQFOJLC-NXEZZACHSA-N 1 0 319.779 3.777 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482562 1033865014 /nfs/dbraw/zinc/86/50/14/1033865014.db2.gz JVOGUKHSVKBPFG-GOSISDBHSA-N 1 0 317.816 3.529 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CC)c2nc(C)cs2)c1 ZINC000174498435 1033939149 /nfs/dbraw/zinc/93/91/49/1033939149.db2.gz CQEJSOHEAKCKPA-QGZVFWFLSA-N 1 0 320.458 3.971 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000863295521 1034058105 /nfs/dbraw/zinc/05/81/05/1034058105.db2.gz WZNSDUANVWWUMF-CABCVRRESA-N 1 0 321.486 3.865 20 10 DHCDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879649351 1034072299 /nfs/dbraw/zinc/07/22/99/1034072299.db2.gz QTXJJACFGILQQK-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651783 1034075356 /nfs/dbraw/zinc/07/53/56/1034075356.db2.gz KOHBIYANCFZDLT-UONOGXRCSA-N 1 0 312.413 3.632 20 10 DHCDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000879651953 1034075626 /nfs/dbraw/zinc/07/56/26/1034075626.db2.gz QTXJJACFGILQQK-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)cc1Cl ZINC000826130591 1034154362 /nfs/dbraw/zinc/15/43/62/1034154362.db2.gz JSJBUCDIELKBDP-ZDUSSCGKSA-N 1 0 311.878 3.977 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(N(C)C)cc1 ZINC000178059182 1034205009 /nfs/dbraw/zinc/20/50/09/1034205009.db2.gz PNVMUHBZKWJSKI-LJQANCHMSA-N 1 0 322.456 3.950 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000119746597 1034232149 /nfs/dbraw/zinc/23/21/49/1034232149.db2.gz HXHPCGNCASSHEU-INIZCTEOSA-N 1 0 308.441 3.530 20 10 DHCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000864018416 1034259084 /nfs/dbraw/zinc/25/90/84/1034259084.db2.gz SFLDKSKYZAVSAX-UHFFFAOYSA-N 1 0 309.457 3.667 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)nc1 ZINC000179116293 1034286343 /nfs/dbraw/zinc/28/63/43/1034286343.db2.gz FOHSRTQJHSAXPK-LLVKDONJSA-N 1 0 307.800 3.791 20 10 DHCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000794663716 1034319663 /nfs/dbraw/zinc/31/96/63/1034319663.db2.gz VDFDRAFSPCZBRD-YGRLFVJLSA-N 1 0 310.319 3.713 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000183382260 1034380538 /nfs/dbraw/zinc/38/05/38/1034380538.db2.gz JBYCQURRSSXYBN-AWEZNQCLSA-N 1 0 309.413 3.791 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000183439872 1034384963 /nfs/dbraw/zinc/38/49/63/1034384963.db2.gz XQJBBTIHEBQUTL-XJKSGUPXSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183501844 1034393557 /nfs/dbraw/zinc/39/35/57/1034393557.db2.gz NFKYPOBIUYLBIK-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183597695 1034401549 /nfs/dbraw/zinc/40/15/49/1034401549.db2.gz SJCWTXLBFZQNTB-YOEHRIQHSA-N 1 0 313.397 3.737 20 10 DHCDRO Cc1c[nH+]ccc1Nc1c(Cl)ccc(Br)c1O ZINC001174538810 1034453829 /nfs/dbraw/zinc/45/38/29/1034453829.db2.gz RNRMRDITUPIRMK-UHFFFAOYSA-N 1 0 313.582 3.677 20 10 DHCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001202514647 1034455410 /nfs/dbraw/zinc/45/54/10/1034455410.db2.gz YORZEWDSQDHRER-PMACEKPBSA-N 1 0 318.505 3.666 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794791260 1034464113 /nfs/dbraw/zinc/46/41/13/1034464113.db2.gz HHNBCWVRMZXRBF-GOSISDBHSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800891 1034471887 /nfs/dbraw/zinc/47/18/87/1034471887.db2.gz FEIOYOGAWLTZCY-PKOBYXMFSA-N 1 0 313.441 3.593 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800888 1034471945 /nfs/dbraw/zinc/47/19/45/1034471945.db2.gz FEIOYOGAWLTZCY-IEBWSBKVSA-N 1 0 313.441 3.593 20 10 DHCDRO CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C)cc1O ZINC000794807303 1034492564 /nfs/dbraw/zinc/49/25/64/1034492564.db2.gz YDTDDKUAYJDGTB-IBGZPJMESA-N 1 0 310.441 3.757 20 10 DHCDRO CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794807224 1034493387 /nfs/dbraw/zinc/49/33/87/1034493387.db2.gz LBBFEYHFZMRPML-HNNXBMFYSA-N 1 0 322.449 3.656 20 10 DHCDRO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C)cc1O ZINC000794806701 1034497519 /nfs/dbraw/zinc/49/75/19/1034497519.db2.gz VIFQRDVEAITLPK-INIZCTEOSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000184840084 1034504473 /nfs/dbraw/zinc/50/44/73/1034504473.db2.gz YCNAZFUXMKLOEQ-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(C)cc1O ZINC000794813100 1034521276 /nfs/dbraw/zinc/52/12/76/1034521276.db2.gz BXTNLSJNXKDJTC-CABCVRRESA-N 1 0 305.443 3.845 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1OC ZINC000185077056 1034526861 /nfs/dbraw/zinc/52/68/61/1034526861.db2.gz QVWIPVUDZYKKHQ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C)cc1O ZINC000794816124 1034527864 /nfs/dbraw/zinc/52/78/64/1034527864.db2.gz KQKZIYHCLKEZSX-HKUYNNGSSA-N 1 0 313.441 3.735 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185143340 1034530130 /nfs/dbraw/zinc/53/01/30/1034530130.db2.gz WYSWXUSXGFCPHK-AWEZNQCLSA-N 1 0 300.402 3.735 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1O ZINC000185119529 1034530773 /nfs/dbraw/zinc/53/07/73/1034530773.db2.gz ZJWDPYREIOLPGY-NEPJUHHUSA-N 1 0 305.805 3.950 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1O ZINC000185207659 1034536329 /nfs/dbraw/zinc/53/63/29/1034536329.db2.gz DAXSZYJZHNOXBG-KRWDZBQOSA-N 1 0 311.429 3.628 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817744 1034539663 /nfs/dbraw/zinc/53/96/63/1034539663.db2.gz VLFIVGYFOMSOTI-QGZVFWFLSA-N 1 0 323.440 3.871 20 10 DHCDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000185318978 1034540192 /nfs/dbraw/zinc/54/01/92/1034540192.db2.gz ZMXIBGRHVCBKLU-LBPRGKRZSA-N 1 0 308.422 3.970 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C)cc1O ZINC000794829524 1034547318 /nfs/dbraw/zinc/54/73/18/1034547318.db2.gz TYEKQXRLDQAOJY-FUHWJXTLSA-N 1 0 302.462 3.758 20 10 DHCDRO Cc1cccc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000794828392 1034549069 /nfs/dbraw/zinc/54/90/69/1034549069.db2.gz OGVOIMAGSKTLOM-OAHLLOKOSA-N 1 0 310.441 3.868 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185501225 1034551199 /nfs/dbraw/zinc/55/11/99/1034551199.db2.gz KIAAKSXOPVQQNN-VHSXEESVSA-N 1 0 308.809 3.932 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000185532314 1034554129 /nfs/dbraw/zinc/55/41/29/1034554129.db2.gz UHTSEZLKPXVJCF-RDTXWAMCSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839710 1034577950 /nfs/dbraw/zinc/57/79/50/1034577950.db2.gz PBGDQWPWDJUWQK-WQGACYEGSA-N 1 0 321.442 3.625 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000185840222 1034579000 /nfs/dbraw/zinc/57/90/00/1034579000.db2.gz SHGSMHZEXFNHBK-IOASZLSFSA-N 1 0 305.443 3.925 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794836058 1034591708 /nfs/dbraw/zinc/59/17/08/1034591708.db2.gz RTUXABDDCJCAED-APWZRJJASA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c1 ZINC000186521090 1034639254 /nfs/dbraw/zinc/63/92/54/1034639254.db2.gz QINCPCVQJACKKH-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747061 1034727435 /nfs/dbraw/zinc/72/74/35/1034727435.db2.gz FVOMCROLOXQAJM-LBPRGKRZSA-N 1 0 324.415 3.728 20 10 DHCDRO COc1cc2c(cc1F)CN(Cc1c(O)cccc1Cl)CC2 ZINC000777440006 1034739683 /nfs/dbraw/zinc/73/96/83/1034739683.db2.gz CETKNYQGIBWUAK-UHFFFAOYSA-N 1 0 321.779 3.752 20 10 DHCDRO Cc1ccc(OCC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001177171101 1035351064 /nfs/dbraw/zinc/35/10/64/1035351064.db2.gz VYVURDKAXUIFLT-UHFFFAOYSA-N 1 0 310.441 3.764 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1F ZINC001177733184 1035390037 /nfs/dbraw/zinc/39/00/37/1035390037.db2.gz HFEHAPKBQZCBTK-CYBMUJFWSA-N 1 0 318.440 3.565 20 10 DHCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2c(c1)NCCC2 ZINC000904354340 1035403552 /nfs/dbraw/zinc/40/35/52/1035403552.db2.gz FUHDACGSGRGHCX-UHFFFAOYSA-N 1 0 308.425 3.660 20 10 DHCDRO CN(C)c1ccc(CNc2ccc(C(C)(C)[NH3+])cc2)cc1F ZINC000904471092 1035418735 /nfs/dbraw/zinc/41/87/35/1035418735.db2.gz WXCJKZWCCDHBRI-UHFFFAOYSA-N 1 0 301.409 3.698 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(Cl)c1 ZINC001178773645 1035448986 /nfs/dbraw/zinc/44/89/86/1035448986.db2.gz BEXUBUGXBFHYIK-PBHICJAKSA-N 1 0 313.869 3.733 20 10 DHCDRO COc1cc(C[NH2+]CC2(OC)CCCC2)c(O)c(C(C)(C)C)c1 ZINC001178823813 1035450042 /nfs/dbraw/zinc/45/00/42/1035450042.db2.gz MQSDWFKXBZXKKZ-UHFFFAOYSA-N 1 0 321.461 3.747 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)cc2)[C@@H]1SC ZINC001179020406 1035458570 /nfs/dbraw/zinc/45/85/70/1035458570.db2.gz CPRDSTKZNFFWGA-KURKYZTESA-N 1 0 322.518 3.531 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)cc1C ZINC001179148649 1035467322 /nfs/dbraw/zinc/46/73/22/1035467322.db2.gz QHHZPYQQOQRDAV-SFHVURJKSA-N 1 0 318.505 3.994 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1c2ccccc2CN1C ZINC001179385528 1035476668 /nfs/dbraw/zinc/47/66/68/1035476668.db2.gz AUGOYHVJBDKSFR-OAQYLSRUSA-N 1 0 319.452 3.763 20 10 DHCDRO CC1(C)C(C)(C)C1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179739620 1035496080 /nfs/dbraw/zinc/49/60/80/1035496080.db2.gz FCPBJROABRGTBR-UHFFFAOYSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180042988 1035572387 /nfs/dbraw/zinc/57/23/87/1035572387.db2.gz NQJIOXOWLZKFFU-VBQJREDUSA-N 1 0 322.880 3.883 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001180077784 1035585781 /nfs/dbraw/zinc/58/57/81/1035585781.db2.gz VJAISQNBKQOBMC-QGZVFWFLSA-N 1 0 311.425 3.774 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC001193247835 1035593857 /nfs/dbraw/zinc/59/38/57/1035593857.db2.gz AMLLGETVDJYYPA-SJLPKXTDSA-N 1 0 316.489 3.746 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC001193247836 1035594497 /nfs/dbraw/zinc/59/44/97/1035594497.db2.gz AMLLGETVDJYYPA-WMZOPIPTSA-N 1 0 316.489 3.746 20 10 DHCDRO COc1cc(C)c(C[N@H+](Cc2ccc(C)o2)C2CC2)c(O)c1 ZINC001180403405 1035663056 /nfs/dbraw/zinc/66/30/56/1035663056.db2.gz KHDXEZCXMCEECF-UHFFFAOYSA-N 1 0 301.386 3.775 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC001180372398 1035667988 /nfs/dbraw/zinc/66/79/88/1035667988.db2.gz TTWZRHVLSOVJPX-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)CO1 ZINC001193838304 1035735958 /nfs/dbraw/zinc/73/59/58/1035735958.db2.gz ITSCSCQECXMJBM-KRWDZBQOSA-N 1 0 303.446 3.954 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(C(C)C)ccc2O)cc1 ZINC001181655125 1035957678 /nfs/dbraw/zinc/95/76/78/1035957678.db2.gz IQEMRAYANPFGJM-HXUWFJFHSA-N 1 0 313.441 3.901 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000226583561 1035975075 /nfs/dbraw/zinc/97/50/75/1035975075.db2.gz OCTWMJUCMKJMSG-AWEZNQCLSA-N 1 0 307.365 3.997 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1O ZINC001181785664 1035987835 /nfs/dbraw/zinc/98/78/35/1035987835.db2.gz GWUGEEHGAPDUTB-UHFFFAOYSA-N 1 0 315.388 3.713 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)cc1Cl ZINC001181934886 1036051535 /nfs/dbraw/zinc/05/15/35/1036051535.db2.gz WHAJZIUSYMNSIS-INIZCTEOSA-N 1 0 324.896 3.954 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000227437198 1036086155 /nfs/dbraw/zinc/08/61/55/1036086155.db2.gz XHCMGFXMUAPSMQ-ZDUSSCGKSA-N 1 0 322.202 3.915 20 10 DHCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(OC)ccc1O ZINC000775654314 1036242609 /nfs/dbraw/zinc/24/26/09/1036242609.db2.gz YCZBLHDQAQDDHP-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(N(CC)CC)c(F)c1 ZINC001203223705 1036268153 /nfs/dbraw/zinc/26/81/53/1036268153.db2.gz ZMJDLSSIWNGQNV-UHFFFAOYSA-N 1 0 323.500 3.882 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000775659631 1036273097 /nfs/dbraw/zinc/27/30/97/1036273097.db2.gz ZRXGHSFQODKJAC-AWEZNQCLSA-N 1 0 319.832 3.737 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000192951078 1036340137 /nfs/dbraw/zinc/34/01/37/1036340137.db2.gz ZKPONPOFLNSTOB-AWEZNQCLSA-N 1 0 307.434 3.791 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC001182616275 1036412948 /nfs/dbraw/zinc/41/29/48/1036412948.db2.gz MXXKSHGWKJSWCY-GOSISDBHSA-N 1 0 320.477 3.517 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1 ZINC001182684549 1036421632 /nfs/dbraw/zinc/42/16/32/1036421632.db2.gz NDYSLAPMBUZUGA-YWZLYKJASA-N 1 0 313.441 3.901 20 10 DHCDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](CCO)c1ccccc1 ZINC000775698702 1036473622 /nfs/dbraw/zinc/47/36/22/1036473622.db2.gz QXYSAAGPTUCXOR-MRXNPFEDSA-N 1 0 323.795 3.740 20 10 DHCDRO CCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000090219747 1036483722 /nfs/dbraw/zinc/48/37/22/1036483722.db2.gz JZIDMAPZQNIWNC-AWEZNQCLSA-N 1 0 306.425 3.503 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC001183171438 1036534108 /nfs/dbraw/zinc/53/41/08/1036534108.db2.gz SZIOADOLBWQGKA-UHFFFAOYSA-N 1 0 318.779 3.998 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC001183238553 1036547130 /nfs/dbraw/zinc/54/71/30/1036547130.db2.gz NZJGPPSVNMADSX-SFHVURJKSA-N 1 0 302.462 3.622 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000775725345 1036564571 /nfs/dbraw/zinc/56/45/71/1036564571.db2.gz LKECVGJXWNHWFX-UHFFFAOYSA-N 1 0 323.864 3.993 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1O ZINC000775737517 1036587751 /nfs/dbraw/zinc/58/77/51/1036587751.db2.gz JFEIEHSBRWJTDI-OAHLLOKOSA-N 1 0 319.445 3.644 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CC(CC3CCOCC3)C2)cc1Cl ZINC001183560731 1036619164 /nfs/dbraw/zinc/61/91/64/1036619164.db2.gz GHKLLNPIBLDATA-UHFFFAOYSA-N 1 0 309.837 3.603 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1ccccc1O ZINC001197003001 1036666463 /nfs/dbraw/zinc/66/64/63/1036666463.db2.gz FNGODIUQZCOXGM-NSHDSACASA-N 1 0 321.323 3.607 20 10 DHCDRO COc1ccccc1-c1nc(C[NH2+][C@@H](C)c2ccccc2O)co1 ZINC001197004499 1036666670 /nfs/dbraw/zinc/66/66/70/1036666670.db2.gz UIIJECDCZTWXMN-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C(C)C)C2CC2)c1O ZINC000915202703 1036696994 /nfs/dbraw/zinc/69/69/94/1036696994.db2.gz MLCQRQFYKAIHJV-UHFFFAOYSA-N 1 0 313.397 3.705 20 10 DHCDRO C[C@]1([NH2+]Cc2ccc(Cl)cc2O)CCOc2ccccc21 ZINC001183958236 1036717128 /nfs/dbraw/zinc/71/71/28/1036717128.db2.gz KLCPWPMYZXFGDY-KRWDZBQOSA-N 1 0 303.789 3.833 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001184154791 1036747085 /nfs/dbraw/zinc/74/70/85/1036747085.db2.gz VSKLBGHVMDMFIO-IAGOWNOFSA-N 1 0 311.425 3.759 20 10 DHCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC001184219519 1036776048 /nfs/dbraw/zinc/77/60/48/1036776048.db2.gz WCJGVPVNUIQQQY-MVJPYGJCSA-N 1 0 315.505 3.524 20 10 DHCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)N(C)C)cc1 ZINC001184219521 1036776246 /nfs/dbraw/zinc/77/62/46/1036776246.db2.gz WCJGVPVNUIQQQY-QLIIJSOBSA-N 1 0 315.505 3.524 20 10 DHCDRO CCOc1ccc(CC[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC001184229289 1036781786 /nfs/dbraw/zinc/78/17/86/1036781786.db2.gz QSROBHKSOUJOJL-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000762484325 1036790051 /nfs/dbraw/zinc/79/00/51/1036790051.db2.gz CXIWSABIZDPTSD-VQIMIIECSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000762647094 1036893575 /nfs/dbraw/zinc/89/35/75/1036893575.db2.gz CQYLDMRLTMWCHY-JTDSTZFVSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000762647092 1036895266 /nfs/dbraw/zinc/89/52/66/1036895266.db2.gz CQYLDMRLTMWCHY-GJYPPUQNSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1O ZINC000236955221 1036986448 /nfs/dbraw/zinc/98/64/48/1036986448.db2.gz MACYTOJISFUFGQ-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1O ZINC000236954190 1036986521 /nfs/dbraw/zinc/98/65/21/1036986521.db2.gz HGBVAIHBHFNKJW-AWEZNQCLSA-N 1 0 315.413 3.607 20 10 DHCDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834680 1036992582 /nfs/dbraw/zinc/99/25/82/1036992582.db2.gz CFSFNCFHHHSFKR-CQSZACIVSA-N 1 0 308.429 3.560 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1O ZINC000237423958 1037011725 /nfs/dbraw/zinc/01/17/25/1037011725.db2.gz IHEHNACUNNBGAB-AWEZNQCLSA-N 1 0 319.401 3.867 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C2CCCCC2)N(C)C)cc1C ZINC000915684545 1037132609 /nfs/dbraw/zinc/13/26/09/1037132609.db2.gz SXEOVZBTLMTYAJ-SFHVURJKSA-N 1 0 304.478 3.604 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000775915559 1037151979 /nfs/dbraw/zinc/15/19/79/1037151979.db2.gz BTSCJZCSIYHRHU-LLVKDONJSA-N 1 0 324.218 3.777 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN(C)c2ccccc2)cc1 ZINC001199014742 1037174994 /nfs/dbraw/zinc/17/49/94/1037174994.db2.gz VCULGCWBYWLXDG-CLFYSBASSA-N 1 0 323.484 3.882 20 10 DHCDRO C[C@H]1C[NH+](Cc2cc3oc4ccccc4c3cc2O)C[C@H](C)O1 ZINC000915789554 1037186377 /nfs/dbraw/zinc/18/63/77/1037186377.db2.gz QUSNYRYEMQHLQE-STQMWFEESA-N 1 0 311.381 3.901 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014804 1037299072 /nfs/dbraw/zinc/29/90/72/1037299072.db2.gz QNZSIFISLYBBKV-IBGZPJMESA-N 1 0 313.372 3.553 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000776013868 1037304694 /nfs/dbraw/zinc/30/46/94/1037304694.db2.gz JOQFIEJVXJRRJJ-HXUWFJFHSA-N 1 0 309.409 3.722 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000776012127 1037305686 /nfs/dbraw/zinc/30/56/86/1037305686.db2.gz CZCFQLNVGUGONW-SMDDNHRTSA-N 1 0 317.351 3.954 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC001199830761 1037347989 /nfs/dbraw/zinc/34/79/89/1037347989.db2.gz SHMGOLKWEXHZPS-QZTJIDSGSA-N 1 0 302.462 3.506 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000761571945 1037376304 /nfs/dbraw/zinc/37/63/04/1037376304.db2.gz KEERYPYSYKXUHK-UHFFFAOYSA-N 1 0 305.425 3.821 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1F ZINC001200971319 1037480079 /nfs/dbraw/zinc/48/00/79/1037480079.db2.gz JYQFDKJMFGPDLT-SZVBFZGTSA-N 1 0 320.452 3.719 20 10 DHCDRO CCCN(Cc1cc(OC)cc(OC)c1)c1ccc(C[NH3+])cc1 ZINC000775140643 1037703809 /nfs/dbraw/zinc/70/38/09/1037703809.db2.gz OEASOHOSRWPNRM-UHFFFAOYSA-N 1 0 314.429 3.579 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000075759851 1037752726 /nfs/dbraw/zinc/75/27/26/1037752726.db2.gz YQGLDHLLLFIZMV-UHFFFAOYSA-N 1 0 322.456 3.513 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC12CCOCC2 ZINC000775156611 1037767198 /nfs/dbraw/zinc/76/71/98/1037767198.db2.gz GAPDGPGBVJXINH-UHFFFAOYSA-N 1 0 309.409 3.814 20 10 DHCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001201842999 1037917001 /nfs/dbraw/zinc/91/70/01/1037917001.db2.gz WHPYJOCIFJVBJA-LJQANCHMSA-N 1 0 318.505 3.810 20 10 DHCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001201842998 1037918354 /nfs/dbraw/zinc/91/83/54/1037918354.db2.gz WHPYJOCIFJVBJA-IBGZPJMESA-N 1 0 318.505 3.810 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201872744 1037923020 /nfs/dbraw/zinc/92/30/20/1037923020.db2.gz LTLALLUIIJRKPS-UWJYYQICSA-N 1 0 324.468 3.889 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccc(F)cc1 ZINC000776221535 1037925251 /nfs/dbraw/zinc/92/52/51/1037925251.db2.gz WMIYOKVKAVUKBL-NSHDSACASA-N 1 0 309.768 3.742 20 10 DHCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163906078 1038023531 /nfs/dbraw/zinc/02/35/31/1038023531.db2.gz INBYQHFEUCQEPB-BXWFABGCSA-N 1 0 304.478 3.735 20 10 DHCDRO Oc1cc(Br)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000691677460 1038052695 /nfs/dbraw/zinc/05/26/95/1038052695.db2.gz NKVPYJZGQKFROU-UHFFFAOYSA-N 1 0 320.177 3.632 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC001202158524 1038076410 /nfs/dbraw/zinc/07/64/10/1038076410.db2.gz MWKIFRCWVMMWPU-SFHVURJKSA-N 1 0 304.478 3.564 20 10 DHCDRO COc1ccc(OCC[N@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000917066449 1038157728 /nfs/dbraw/zinc/15/77/28/1038157728.db2.gz GZVZKZWFRWHDMI-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000917089661 1038187373 /nfs/dbraw/zinc/18/73/73/1038187373.db2.gz BRWFQDMARDLDNZ-UHFFFAOYSA-N 1 0 310.441 3.716 20 10 DHCDRO CCCc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000775305400 1038207889 /nfs/dbraw/zinc/20/78/89/1038207889.db2.gz IGOJBULCIZDGKC-UHFFFAOYSA-N 1 0 324.468 3.766 20 10 DHCDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000775365622 1038279935 /nfs/dbraw/zinc/27/99/35/1038279935.db2.gz VKVGOGPHFCVBEN-TXPKVOOTSA-N 1 0 304.478 3.854 20 10 DHCDRO CCC[N@H+](CCN(C)Cc1ccccc1)Cc1ccccc1O ZINC001191289472 1038481659 /nfs/dbraw/zinc/48/16/59/1038481659.db2.gz NALJIHFFFXRWFS-UHFFFAOYSA-N 1 0 312.457 3.736 20 10 DHCDRO CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1cc(Cl)ccc1O ZINC000775482877 1038548716 /nfs/dbraw/zinc/54/87/16/1038548716.db2.gz FIHOUVAVJAFEKZ-INIZCTEOSA-N 1 0 321.852 3.990 20 10 DHCDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1O ZINC000775491258 1038560374 /nfs/dbraw/zinc/56/03/74/1038560374.db2.gz GWRMTPDNTXOLSA-HNNXBMFYSA-N 1 0 307.825 3.763 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000165726347 1038562385 /nfs/dbraw/zinc/56/23/85/1038562385.db2.gz LXAMSZQLWORVFT-XJKSGUPXSA-N 1 0 310.532 3.642 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O ZINC000775491863 1038565163 /nfs/dbraw/zinc/56/51/63/1038565163.db2.gz IJPHFDOIZXESFK-HNNXBMFYSA-N 1 0 319.836 3.748 20 10 DHCDRO COC[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C(C)C ZINC001192014510 1038579930 /nfs/dbraw/zinc/57/99/30/1038579930.db2.gz SSVLPYVFYMPIMY-QGZVFWFLSA-N 1 0 317.429 3.906 20 10 DHCDRO CC[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1O ZINC000775509745 1038601888 /nfs/dbraw/zinc/60/18/88/1038601888.db2.gz QCAKWFHBDDPMMJ-LJQANCHMSA-N 1 0 324.468 3.532 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775514242 1038604515 /nfs/dbraw/zinc/60/45/15/1038604515.db2.gz STNKKCVBHQQZQS-BLLLJJGKSA-N 1 0 323.820 3.531 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000775522715 1038633840 /nfs/dbraw/zinc/63/38/40/1038633840.db2.gz YMVCSTBJLBIRHV-UONOGXRCSA-N 1 0 305.809 3.887 20 10 DHCDRO CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1cc(Cl)ccc1O ZINC000775528011 1038646284 /nfs/dbraw/zinc/64/62/84/1038646284.db2.gz XIDRRWGPAPCNKW-OAHLLOKOSA-N 1 0 319.836 3.902 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3)o2)c1 ZINC001192781329 1038698441 /nfs/dbraw/zinc/69/84/41/1038698441.db2.gz UVYKHYHYPPOCPO-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC(F)(F)F)CC2)cc1 ZINC000157451824 1038981326 /nfs/dbraw/zinc/98/13/26/1038981326.db2.gz AIKLHFBLQGMDAT-LBPRGKRZSA-N 1 0 316.367 3.595 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000157516012 1039027987 /nfs/dbraw/zinc/02/79/87/1039027987.db2.gz AZRDNDRZIOBPCA-QUCCMNQESA-N 1 0 316.489 3.828 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000157523836 1039030364 /nfs/dbraw/zinc/03/03/64/1039030364.db2.gz ABIFKLQRYKOOHC-KRWDZBQOSA-N 1 0 316.489 3.828 20 10 DHCDRO CCOCc1cc(C[NH2+]C2CCC(F)(F)CC2)ccc1OC ZINC000761336095 1039115536 /nfs/dbraw/zinc/11/55/36/1039115536.db2.gz UWPCVIUTCNPQQY-UHFFFAOYSA-N 1 0 313.388 3.899 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000129815390 1039727364 /nfs/dbraw/zinc/72/73/64/1039727364.db2.gz BNSCJFJQLYASKS-KRWDZBQOSA-N 1 0 317.816 3.649 20 10 DHCDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000230698495 1039958577 /nfs/dbraw/zinc/95/85/77/1039958577.db2.gz AZPGBVUPLYDSDS-RYUDHWBXSA-N 1 0 316.264 3.528 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000761203785 1040577481 /nfs/dbraw/zinc/57/74/81/1040577481.db2.gz MGRPVKLFYPFLLL-AWEZNQCLSA-N 1 0 315.866 3.628 20 10 DHCDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371144 1040606339 /nfs/dbraw/zinc/60/63/39/1040606339.db2.gz SJBNZULRHMIMCQ-SJCJKPOMSA-N 1 0 304.821 3.788 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000174480478 1040647478 /nfs/dbraw/zinc/64/74/78/1040647478.db2.gz DGQJRRFVASCSOB-CQSZACIVSA-N 1 0 309.793 3.678 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnccc2C)c1O ZINC000761214673 1040653026 /nfs/dbraw/zinc/65/30/26/1040653026.db2.gz DXBGLWOEVBRXRA-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO CN(Cc1ccc(Cl)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761224401 1040815318 /nfs/dbraw/zinc/81/53/18/1040815318.db2.gz ZPLLCFDNDGOTHD-UHFFFAOYSA-N 1 0 308.809 3.510 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000228793412 1041177966 /nfs/dbraw/zinc/17/79/66/1041177966.db2.gz OBXKQSABUGMOLL-ZFWWWQNUSA-N 1 0 322.449 3.592 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000092758999 185338597 /nfs/dbraw/zinc/33/85/97/185338597.db2.gz FNUCSTDRAUHSQS-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1O ZINC000092758749 185338824 /nfs/dbraw/zinc/33/88/24/185338824.db2.gz YXAAINGSDQUVNS-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CCOCc1ccccc1C[NH2+]Cc1cccc(OCC)c1O ZINC000236990577 202111296 /nfs/dbraw/zinc/11/12/96/202111296.db2.gz CINIEATUFRSSBK-UHFFFAOYSA-N 1 0 315.413 3.617 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C)ccc1O)CCC2 ZINC000093365151 193240131 /nfs/dbraw/zinc/24/01/31/193240131.db2.gz HEVPZJLPMPYMNR-HNNXBMFYSA-N 1 0 302.443 3.975 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000020145997 182192667 /nfs/dbraw/zinc/19/26/67/182192667.db2.gz YRKFTTRNYBSRON-UHFFFAOYSA-N 1 0 319.246 3.805 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c1O ZINC000272217087 130008537 /nfs/dbraw/zinc/00/85/37/130008537.db2.gz DEKHVNBRARDYBC-HNNXBMFYSA-N 1 0 319.401 3.560 20 10 DHCDRO COCC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000272306716 130018870 /nfs/dbraw/zinc/01/88/70/130018870.db2.gz OFOUPCICCXGDFZ-INIZCTEOSA-N 1 0 303.402 3.778 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc([S@](C)=O)cc1 ZINC000272859716 130069849 /nfs/dbraw/zinc/06/98/49/130069849.db2.gz MKEMBTNUNALLJM-BYVOGVQKSA-N 1 0 303.427 3.541 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc([S@@](C)=O)cc1 ZINC000272859722 130070121 /nfs/dbraw/zinc/07/01/21/130070121.db2.gz MKEMBTNUNALLJM-OYMPBJRDSA-N 1 0 303.427 3.541 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343775 130109163 /nfs/dbraw/zinc/10/91/63/130109163.db2.gz AFKMKBFYFAKZLO-LSDHHAIUSA-N 1 0 319.445 3.933 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c(O)c1 ZINC000273365943 130113085 /nfs/dbraw/zinc/11/30/85/130113085.db2.gz FCBVAXDDTKPGDU-XJKSGUPXSA-N 1 0 304.459 3.716 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273387962 130115991 /nfs/dbraw/zinc/11/59/91/130115991.db2.gz KANIFIIYRWORIB-MRXNPFEDSA-N 1 0 301.434 3.563 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273386943 130116137 /nfs/dbraw/zinc/11/61/37/130116137.db2.gz JSGHDPPJZQFBAB-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1 ZINC000273391062 130116486 /nfs/dbraw/zinc/11/64/86/130116486.db2.gz KQROHUYWUTWXTN-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000273399569 130117219 /nfs/dbraw/zinc/11/72/19/130117219.db2.gz MUECHDKBYMRWRJ-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1C ZINC000273423060 130118985 /nfs/dbraw/zinc/11/89/85/130118985.db2.gz SNFDHOYVPKKCIM-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000273484314 130126202 /nfs/dbraw/zinc/12/62/02/130126202.db2.gz MWHXYMNWVKMHOS-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273482564 130126239 /nfs/dbraw/zinc/12/62/39/130126239.db2.gz MKPIVZTVKJCDOJ-BMIGLBTASA-N 1 0 313.319 3.509 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000273491767 130128136 /nfs/dbraw/zinc/12/81/36/130128136.db2.gz OJGUBLZLUGGBBD-BONVTDFDSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527034 130132111 /nfs/dbraw/zinc/13/21/11/130132111.db2.gz VMXMTMKTHLTGMW-STQMWFEESA-N 1 0 302.422 3.662 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000273543117 130134911 /nfs/dbraw/zinc/13/49/11/130134911.db2.gz YXDIGUBCJOJLNF-MNOVXSKESA-N 1 0 304.321 3.851 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000273562271 130136211 /nfs/dbraw/zinc/13/62/11/130136211.db2.gz IKEOZXUIHULBFE-UONOGXRCSA-N 1 0 324.424 3.631 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)nc2c1 ZINC000273563866 130137526 /nfs/dbraw/zinc/13/75/26/130137526.db2.gz IYFATOYASLYRIK-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCCNc2ccccn2)c(O)c1C ZINC000273587807 130140944 /nfs/dbraw/zinc/14/09/44/130140944.db2.gz OFDOYICBKVQFPK-MRXNPFEDSA-N 1 0 313.445 3.947 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273608740 130143915 /nfs/dbraw/zinc/14/39/15/130143915.db2.gz VCTKPEGUWMVMMS-KBPBESRZSA-N 1 0 324.424 3.631 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000273623204 130146817 /nfs/dbraw/zinc/14/68/17/130146817.db2.gz ZTENZXPWBITLMY-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1O ZINC000283691598 131013712 /nfs/dbraw/zinc/01/37/12/131013712.db2.gz AHFUJRYMKGZCHB-CYBMUJFWSA-N 1 0 301.386 3.574 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000284176088 131055775 /nfs/dbraw/zinc/05/57/75/131055775.db2.gz QUNRICQYXPECAF-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO C[C@@]12CC[N@H+](Cc3cc(F)ccc3O)C[C@@H]1C2(Cl)Cl ZINC000284381861 131075713 /nfs/dbraw/zinc/07/57/13/131075713.db2.gz OKZDVAUNNXPPBI-QWHCGFSZSA-N 1 0 304.192 3.547 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC000288686965 131335174 /nfs/dbraw/zinc/33/51/74/131335174.db2.gz XSEPLADUKMNHEU-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cc(F)ccc1O ZINC000296625769 131977460 /nfs/dbraw/zinc/97/74/60/131977460.db2.gz XCKMWSBFYCXCBL-VIFPVBQESA-N 1 0 314.282 3.796 20 10 DHCDRO CC(C)COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297831613 132035912 /nfs/dbraw/zinc/03/59/12/132035912.db2.gz RXZDQMDTRKJKPR-HOTGVXAUSA-N 1 0 315.413 3.976 20 10 DHCDRO COCc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccc1F ZINC000185495978 333209219 /nfs/dbraw/zinc/20/92/19/333209219.db2.gz FCHSZCTYLABHFT-LLVKDONJSA-N 1 0 307.340 3.668 20 10 DHCDRO C[C@@H](CCCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294817339 335127837 /nfs/dbraw/zinc/12/78/37/335127837.db2.gz QEMFVTIPXANOOU-LPHOPBHVSA-N 1 0 313.441 3.817 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)C(F)F ZINC000295048384 335130214 /nfs/dbraw/zinc/13/02/14/335130214.db2.gz NHORGQBVLWRPBT-NVXWUHKLSA-N 1 0 321.367 3.553 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000295140152 335132578 /nfs/dbraw/zinc/13/25/78/335132578.db2.gz PRTCVBVVBLWNKJ-AWEZNQCLSA-N 1 0 319.788 3.537 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC(C)=C(C)C3)cc2)CC1 ZINC000295849689 335140091 /nfs/dbraw/zinc/14/00/91/335140091.db2.gz BCTFKKYKHNLQIL-UHFFFAOYSA-N 1 0 314.473 3.844 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271362397 334021459 /nfs/dbraw/zinc/02/14/59/334021459.db2.gz NPNMQTASPHGNMK-ZBFHGGJFSA-N 1 0 303.427 3.542 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc2ccccc2c1O ZINC000278983496 334104691 /nfs/dbraw/zinc/10/46/91/334104691.db2.gz PCWJDWKURIMRIA-HUUCEWRRSA-N 1 0 321.424 3.655 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(F)ccc1O ZINC000289802828 334167937 /nfs/dbraw/zinc/16/79/37/334167937.db2.gz OBICEHQREPUDFK-PIGZYNQJSA-N 1 0 321.417 3.732 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccn1-c1ccccc1 ZINC000290225027 334171787 /nfs/dbraw/zinc/17/17/87/334171787.db2.gz XPLBGNLAFKJJHD-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(C)cc1O ZINC000296348967 334232728 /nfs/dbraw/zinc/23/27/28/334232728.db2.gz IEWVOGDGOHYZGW-OAHLLOKOSA-N 1 0 320.820 3.999 20 10 DHCDRO Cc1cc(N(C)Cc2ccccc2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302692150 336365112 /nfs/dbraw/zinc/36/51/12/336365112.db2.gz ZVEGJQIFBVLQIH-UHFFFAOYSA-N 1 0 323.352 3.793 20 10 DHCDRO CCn1nc(C)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c1C ZINC000355138044 336496156 /nfs/dbraw/zinc/49/61/56/336496156.db2.gz RBYZDFXOCVZCHA-UHFFFAOYSA-N 1 0 310.445 3.610 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCCS3)CC2)cc1 ZINC000120440061 336912011 /nfs/dbraw/zinc/91/20/11/336912011.db2.gz RBRRRBUEBXARQP-GOSISDBHSA-N 1 0 320.502 3.539 20 10 DHCDRO c1cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)ccn1 ZINC000371762494 336912345 /nfs/dbraw/zinc/91/23/45/336912345.db2.gz KFQOJGDUCBVJJY-UHFFFAOYSA-N 1 0 316.404 3.973 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccccc1O ZINC000373461060 336961195 /nfs/dbraw/zinc/96/11/95/336961195.db2.gz UFJOVAUYZZABLF-HZPDHXFCSA-N 1 0 313.397 3.965 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000374495187 336990550 /nfs/dbraw/zinc/99/05/50/336990550.db2.gz HOQOXIFDKRGILB-PXNSSMCTSA-N 1 0 311.425 3.876 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)n1 ZINC000375239596 337006486 /nfs/dbraw/zinc/00/64/86/337006486.db2.gz UZQSNQNNTJRRHU-LRVUVFPRSA-N 1 0 315.417 3.769 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1 ZINC000375531017 337012905 /nfs/dbraw/zinc/01/29/05/337012905.db2.gz YQSVPCQJJPXCPG-YQVWRLOYSA-N 1 0 303.446 3.606 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375854392 337021580 /nfs/dbraw/zinc/02/15/80/337021580.db2.gz TWOIDZSVRHPJMG-IBGZPJMESA-N 1 0 324.472 3.813 20 10 DHCDRO c1nc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c[nH]1 ZINC000376492263 337034889 /nfs/dbraw/zinc/03/48/89/337034889.db2.gz PHNVNDCYUNQFJW-UHFFFAOYSA-N 1 0 324.472 3.780 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000377398066 337051879 /nfs/dbraw/zinc/05/18/79/337051879.db2.gz LLDPSXSRFFMCJA-BBATYDOGSA-N 1 0 317.360 3.542 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631069 337056903 /nfs/dbraw/zinc/05/69/03/337056903.db2.gz SLSNMOQQJSVHPC-UKRRQHHQSA-N 1 0 317.351 3.623 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377697529 337058895 /nfs/dbraw/zinc/05/88/95/337058895.db2.gz NPQSZUCXRLMYQA-SUMDDJOVSA-N 1 0 319.445 3.503 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835784 337062175 /nfs/dbraw/zinc/06/21/75/337062175.db2.gz WLVGGUYVJYCQJA-JYJNAYRXSA-N 1 0 319.445 3.600 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cccc(Cl)c32)c1 ZINC000377883745 337063254 /nfs/dbraw/zinc/06/32/54/337063254.db2.gz KVWYFUPPTQLBCI-HZMBPMFUSA-N 1 0 319.788 3.839 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406249 337071997 /nfs/dbraw/zinc/07/19/97/337071997.db2.gz UPSCRCBYJBDWNV-MGPUTAFESA-N 1 0 309.457 3.590 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2ccc(C)o2)c1 ZINC000378445161 337072870 /nfs/dbraw/zinc/07/28/70/337072870.db2.gz SHZIIEDUUDCAOJ-HNNXBMFYSA-N 1 0 319.426 3.592 20 10 DHCDRO COc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1O ZINC000360078041 337085054 /nfs/dbraw/zinc/08/50/54/337085054.db2.gz FVFAENXZIHATOS-KRWDZBQOSA-N 1 0 315.438 3.691 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3F)CC2)cc1 ZINC000102432734 337386220 /nfs/dbraw/zinc/38/62/20/337386220.db2.gz AJCDAMZLJCEYIJ-UHFFFAOYSA-N 1 0 314.404 3.593 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000121139244 337396297 /nfs/dbraw/zinc/39/62/97/337396297.db2.gz PQPBYNGWYNGIFE-QGZVFWFLSA-N 1 0 320.392 3.594 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(F)ccc1O ZINC000248517770 337564271 /nfs/dbraw/zinc/56/42/71/337564271.db2.gz PLYMYSPTHOBIDY-XYZKALLWSA-N 1 0 305.393 3.530 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000092618270 337907060 /nfs/dbraw/zinc/90/70/60/337907060.db2.gz UISRDVGUUJRAFK-UHFFFAOYSA-N 1 0 312.461 3.566 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000475199569 339441231 /nfs/dbraw/zinc/44/12/31/339441231.db2.gz WKXXPGNFETVCBW-AWEZNQCLSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000479458526 339536105 /nfs/dbraw/zinc/53/61/05/339536105.db2.gz VRIDMGBSTMDNLA-QGZVFWFLSA-N 1 0 300.446 3.922 20 10 DHCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000554377903 341452575 /nfs/dbraw/zinc/45/25/75/341452575.db2.gz WPVIUXKPGLDWNW-GOSISDBHSA-N 1 0 308.425 3.964 20 10 DHCDRO CC[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(C(F)(F)F)cc1O ZINC000527983596 517826179 /nfs/dbraw/zinc/82/61/79/517826179.db2.gz WSCPOAVGZRMLEY-IQYSWEBNSA-N 1 0 315.335 3.631 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)c(C)c1 ZINC000187981039 520368732 /nfs/dbraw/zinc/36/87/32/520368732.db2.gz XBCQZUNUZGRGLV-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CC[NH+](CC)Cc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000191556348 520753738 /nfs/dbraw/zinc/75/37/38/520753738.db2.gz SHSGTIJFVSYVOO-UHFFFAOYSA-N 1 0 314.429 3.855 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000266269859 522637371 /nfs/dbraw/zinc/63/73/71/522637371.db2.gz BMYIFPDMCSPUGO-MAUKXSAKSA-N 1 0 321.367 3.581 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1O ZINC000156789987 522655628 /nfs/dbraw/zinc/65/56/28/522655628.db2.gz PVCSRPRXHNXYAP-INIZCTEOSA-N 1 0 313.397 3.794 20 10 DHCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)c1 ZINC000124240319 524178094 /nfs/dbraw/zinc/17/80/94/524178094.db2.gz CZVZOAAQHRPAOV-QGZVFWFLSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000180545843 524405422 /nfs/dbraw/zinc/40/54/22/524405422.db2.gz XFHAZDSCKUFOEO-CJNGLKHVSA-N 1 0 303.427 3.724 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1c(O)cccc1Cl ZINC000131120388 524646023 /nfs/dbraw/zinc/64/60/23/524646023.db2.gz WFJLQAPDYDKTNW-YGRLFVJLSA-N 1 0 311.834 3.709 20 10 DHCDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177778879 525279347 /nfs/dbraw/zinc/27/93/47/525279347.db2.gz WANISZRSQBIEQI-ZDUSSCGKSA-N 1 0 318.436 3.502 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354890 525365325 /nfs/dbraw/zinc/36/53/25/525365325.db2.gz FZRQREJQATUFLP-USJZOSNVSA-N 1 0 301.430 3.699 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)c1O ZINC000131579114 525916831 /nfs/dbraw/zinc/91/68/31/525916831.db2.gz CRHGXMMKYQGYER-LLVKDONJSA-N 1 0 307.340 3.872 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(OC)cc1 ZINC000122034549 535805653 /nfs/dbraw/zinc/80/56/53/535805653.db2.gz HRNIPAJBRILNFC-QGZVFWFLSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287765930 535893878 /nfs/dbraw/zinc/89/38/78/535893878.db2.gz RFENSLUFGHQCOL-INIZCTEOSA-N 1 0 310.869 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000296028811 1013198089 /nfs/dbraw/zinc/19/80/89/1013198089.db2.gz PYVQKRHMAVNWIN-GOSISDBHSA-N 1 0 316.470 3.826 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000247048982 1013324374 /nfs/dbraw/zinc/32/43/74/1013324374.db2.gz OSKDIOSGNDMSOB-AUUYWEPGSA-N 1 0 316.420 3.666 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(CSC)c2)c1O ZINC000894532270 1013408953 /nfs/dbraw/zinc/40/89/53/1013408953.db2.gz DIEXUAIZCKCDHB-UHFFFAOYSA-N 1 0 317.454 3.862 20 10 DHCDRO CCO[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894575801 1013423104 /nfs/dbraw/zinc/42/31/04/1013423104.db2.gz LFOWTOVAHOOUCE-GOSISDBHSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1O ZINC000894756577 1013478356 /nfs/dbraw/zinc/47/83/56/1013478356.db2.gz BSDHTUIWIUZONZ-UHFFFAOYSA-N 1 0 310.397 3.789 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925082053 1013504305 /nfs/dbraw/zinc/50/43/05/1013504305.db2.gz UDXCDXRXNWGFLA-OAHLLOKOSA-N 1 0 312.461 3.833 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CC(C)(CCOC)C2)cc1F ZINC000839143635 1013569002 /nfs/dbraw/zinc/56/90/02/1013569002.db2.gz RHCRXABCSQRRCM-UHFFFAOYSA-N 1 0 308.441 3.530 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000894881917 1013584889 /nfs/dbraw/zinc/58/48/89/1013584889.db2.gz SRBHZKYQFOBRKD-CZUORRHYSA-N 1 0 313.397 3.711 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000113325836 1018383382 /nfs/dbraw/zinc/38/33/82/1018383382.db2.gz XBHIRRYAJCNFRC-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1O ZINC000155510133 1013886128 /nfs/dbraw/zinc/88/61/28/1013886128.db2.gz QUUFUQHKENKLBK-KRWDZBQOSA-N 1 0 312.413 3.817 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnccc2C)cc1F ZINC000280811353 1014228167 /nfs/dbraw/zinc/22/81/67/1014228167.db2.gz IBWKBNRKUINRQD-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000728301190 1014234054 /nfs/dbraw/zinc/23/40/54/1014234054.db2.gz KYLVIECUPKYJEC-ICSRJNTNSA-N 1 0 316.489 3.972 20 10 DHCDRO CC(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000846803413 1032086761 /nfs/dbraw/zinc/08/67/61/1032086761.db2.gz CGOZFZWWFQILPX-UHFFFAOYSA-N 1 0 314.385 3.528 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000160628759 1014337624 /nfs/dbraw/zinc/33/76/24/1014337624.db2.gz DSSMQWZZWRDOFJ-UHFFFAOYSA-N 1 0 307.340 3.934 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000307882995 1014630165 /nfs/dbraw/zinc/63/01/65/1014630165.db2.gz VNOPWLPCACTUKA-UHFFFAOYSA-N 1 0 305.752 3.531 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000067506117 1014679517 /nfs/dbraw/zinc/67/95/17/1014679517.db2.gz PEFVZSNSPSLJQL-SFHVURJKSA-N 1 0 315.461 3.518 20 10 DHCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCOC1)C1CCCCC1 ZINC000783506775 1014776813 /nfs/dbraw/zinc/77/68/13/1014776813.db2.gz OTTBRSFMCAUYNZ-INIZCTEOSA-N 1 0 303.446 3.954 20 10 DHCDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000834881622 1014933511 /nfs/dbraw/zinc/93/35/11/1014933511.db2.gz CBALYVCWXJEBNP-QMTHXVAHSA-N 1 0 316.239 3.620 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)CC)cc2)C1(C)C ZINC001167474151 1015056378 /nfs/dbraw/zinc/05/63/78/1015056378.db2.gz PYYOFLGPJOKZQR-ZWKOTPCHSA-N 1 0 304.478 3.778 20 10 DHCDRO Cc1cc(C[NH2+]Cc2c(C)ccnc2N)c(C)n1-c1ccccc1 ZINC000895405023 1015135817 /nfs/dbraw/zinc/13/58/17/1015135817.db2.gz IMFUXQYGQRKAIE-UHFFFAOYSA-N 1 0 320.440 3.670 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000895585451 1015212749 /nfs/dbraw/zinc/21/27/49/1015212749.db2.gz XRTRHMOJNZTHJJ-LLVKDONJSA-N 1 0 308.834 3.800 20 10 DHCDRO Oc1c(C[NH2+]Cc2nc3c(s2)CCC3)ccc2ccccc21 ZINC000896287437 1015536796 /nfs/dbraw/zinc/53/67/96/1015536796.db2.gz IDPFCESSRNKENS-UHFFFAOYSA-N 1 0 310.422 3.780 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCSCC(F)(F)F)cc1 ZINC000835043060 1015702843 /nfs/dbraw/zinc/70/28/43/1015702843.db2.gz ZVLGRLBWBQOGOZ-ONEGZZNKSA-N 1 0 318.408 3.651 20 10 DHCDRO CCc1cccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896808443 1015753141 /nfs/dbraw/zinc/75/31/41/1015753141.db2.gz FEEHNXNEPISRPQ-KBPBESRZSA-N 1 0 317.351 3.544 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281292965 1016451914 /nfs/dbraw/zinc/45/19/14/1016451914.db2.gz QQIXWSPTBFIUJU-SFHVURJKSA-N 1 0 317.383 3.667 20 10 DHCDRO Cc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)ccc1N(C)C ZINC001167558573 1016535093 /nfs/dbraw/zinc/53/50/93/1016535093.db2.gz PEVSMZQAHBLIES-MSOLQXFVSA-N 1 0 304.503 3.921 20 10 DHCDRO COc1ccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185127237 1016597805 /nfs/dbraw/zinc/59/78/05/1016597805.db2.gz PLFMEKKCVBSQLJ-CYBMUJFWSA-N 1 0 319.376 3.660 20 10 DHCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185442919 1016922424 /nfs/dbraw/zinc/92/24/24/1016922424.db2.gz SENMOSMNPYQHFK-OAHLLOKOSA-N 1 0 308.441 3.838 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000185488874 1016943025 /nfs/dbraw/zinc/94/30/25/1016943025.db2.gz GNPSUMSIXGYECZ-DEYYWGMASA-N 1 0 321.461 3.893 20 10 DHCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178605774 1016976069 /nfs/dbraw/zinc/97/60/69/1016976069.db2.gz FIADMIWYMVGYEH-ZNMIVQPWSA-N 1 0 308.441 3.748 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185574497 1017025531 /nfs/dbraw/zinc/02/55/31/1017025531.db2.gz BRVVUOCVTYMBIN-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185580310 1017029090 /nfs/dbraw/zinc/02/90/90/1017029090.db2.gz MIKCYWFQCVSOAJ-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185580456 1017029641 /nfs/dbraw/zinc/02/96/41/1017029641.db2.gz WMVXXNQKYTXGLQ-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000897080255 1017041269 /nfs/dbraw/zinc/04/12/69/1017041269.db2.gz RSVDJOFWSFNCKD-INIZCTEOSA-N 1 0 307.825 3.574 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000192785207 1017058641 /nfs/dbraw/zinc/05/86/41/1017058641.db2.gz WJBJYXLXJNNDCU-KGLIPLIRSA-N 1 0 313.397 3.884 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)CCC3CC3)cc2)CC1 ZINC000294851044 1032180867 /nfs/dbraw/zinc/18/08/67/1032180867.db2.gz BCBOKVNFUDZRPV-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@]2(C)c2cccs2)c1 ZINC000362035638 1032203886 /nfs/dbraw/zinc/20/38/86/1032203886.db2.gz DHYWPXXCMTWYSY-GUYCJALGSA-N 1 0 303.427 3.530 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@]2(C)c2cccs2)c1 ZINC000362035637 1032204569 /nfs/dbraw/zinc/20/45/69/1032204569.db2.gz DHYWPXXCMTWYSY-DYVFJYSZSA-N 1 0 303.427 3.530 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc2c(cc1O)CCCC2 ZINC000185670148 1017090123 /nfs/dbraw/zinc/09/01/23/1017090123.db2.gz GUJPDKPVQVXSBD-SWLSCSKDSA-N 1 0 323.527 3.770 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)c(O)c1 ZINC001171356240 1032514193 /nfs/dbraw/zinc/51/41/93/1032514193.db2.gz YPRMSUKWBMMOLY-OAHLLOKOSA-N 1 0 317.379 3.934 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1C ZINC001171353615 1032512114 /nfs/dbraw/zinc/51/21/14/1032512114.db2.gz HSLYGRFPTAONNK-MRXNPFEDSA-N 1 0 317.379 3.929 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773030300 1032534269 /nfs/dbraw/zinc/53/42/69/1032534269.db2.gz MZGIJDQNBGZXMW-UKRRQHHQSA-N 1 0 308.466 3.972 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2sccc2C)cc1 ZINC000773043534 1032536609 /nfs/dbraw/zinc/53/66/09/1032536609.db2.gz CPXUYKJDWYZLQP-WMLDXEAASA-N 1 0 318.486 3.897 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773038744 1032537077 /nfs/dbraw/zinc/53/70/77/1032537077.db2.gz BOHQVUKCDMGDFN-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)cc1C ZINC000237281610 1017320155 /nfs/dbraw/zinc/32/01/55/1017320155.db2.gz NKABHMGLEJJXKS-SFHVURJKSA-N 1 0 324.428 3.533 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108378 1032562174 /nfs/dbraw/zinc/56/21/74/1032562174.db2.gz XAACTEMVYBGURO-KKSFZXQISA-N 1 0 323.484 3.980 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773145011 1032575752 /nfs/dbraw/zinc/57/57/52/1032575752.db2.gz HIRHGSHGOBBEHT-GDBMZVCRSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(N(C)C)cc1 ZINC000773142441 1032574054 /nfs/dbraw/zinc/57/40/54/1032574054.db2.gz ZPDHBXCSILDXPM-NKKGCODLSA-N 1 0 322.543 3.783 20 10 DHCDRO Cc1cc(NC2CC2)nc(NCc2cc3ccccc3cc2O)[nH+]1 ZINC001171397997 1032583057 /nfs/dbraw/zinc/58/30/57/1032583057.db2.gz SCRLILUYSQYIRP-UHFFFAOYSA-N 1 0 320.396 3.830 20 10 DHCDRO CCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160185663 1011952809 /nfs/dbraw/zinc/95/28/09/1011952809.db2.gz MTTSVJHTFHKSMQ-KRWDZBQOSA-N 1 0 315.413 3.729 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000237133705 1012009910 /nfs/dbraw/zinc/00/99/10/1012009910.db2.gz SQDSZIAGWFPUHB-FQEVSTJZSA-N 1 0 323.484 3.507 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192850975 1017107195 /nfs/dbraw/zinc/10/71/95/1017107195.db2.gz USTVVTIGGXDYLL-QWHCGFSZSA-N 1 0 313.401 3.603 20 10 DHCDRO COc1ccc(C[N@H+](C)C(C)(C)c2ccccc2)c(O)c1OC ZINC000894295175 1012204309 /nfs/dbraw/zinc/20/43/09/1012204309.db2.gz PEQLHZUPAFJVOQ-UHFFFAOYSA-N 1 0 315.413 3.777 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1C ZINC000729852090 1032658312 /nfs/dbraw/zinc/65/83/12/1032658312.db2.gz NSVUJDNWLIWGRF-HXUWFJFHSA-N 1 0 311.425 3.973 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1C ZINC000773256177 1032660987 /nfs/dbraw/zinc/66/09/87/1032660987.db2.gz BFYJGAWEQRCGSU-DLBZAZTESA-N 1 0 303.446 3.648 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2nc(C(C)C)cs2)c1O ZINC000894349690 1013007726 /nfs/dbraw/zinc/00/77/26/1013007726.db2.gz HAKNHPJJGRGIRB-UHFFFAOYSA-N 1 0 306.431 3.579 20 10 DHCDRO Cc1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000857761209 1032676123 /nfs/dbraw/zinc/67/61/23/1032676123.db2.gz HXVBKNRVLFVNDH-UHFFFAOYSA-N 1 0 309.413 3.723 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000163229519 1017278071 /nfs/dbraw/zinc/27/80/71/1017278071.db2.gz WXQRNYZIAVUYRH-WOJBJXKFSA-N 1 0 312.457 3.835 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000163229149 1017278317 /nfs/dbraw/zinc/27/83/17/1017278317.db2.gz WXQRNYZIAVUYRH-PMACEKPBSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000186033960 1017649404 /nfs/dbraw/zinc/64/94/04/1017649404.db2.gz SMIXGAVMUSVHFI-LLVKDONJSA-N 1 0 320.433 3.760 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915378 1032727402 /nfs/dbraw/zinc/72/74/02/1032727402.db2.gz KQGOQSFDCSWOTQ-OSAQELSMSA-N 1 0 317.351 3.933 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926915831 1032732634 /nfs/dbraw/zinc/73/26/34/1032732634.db2.gz MAWFGJDFIHPCEB-SLEUVZQESA-N 1 0 317.351 3.851 20 10 DHCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000701054819 1017989898 /nfs/dbraw/zinc/98/98/98/1017989898.db2.gz FFMVHCAFZMJTTI-ZETCQYMHSA-N 1 0 312.129 3.585 20 10 DHCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000701054812 1017990687 /nfs/dbraw/zinc/99/06/87/1017990687.db2.gz FFMVHCAFZMJTTI-SSDOTTSWSA-N 1 0 312.129 3.585 20 10 DHCDRO COc1cc(Cl)cc(CNc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841029189 1018026908 /nfs/dbraw/zinc/02/69/08/1018026908.db2.gz VKZRBZBSXJAHQO-JTQLQIEISA-N 1 0 306.793 3.686 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000766085976 1018222852 /nfs/dbraw/zinc/22/28/52/1018222852.db2.gz XIKDGHLHJWPSFL-INIZCTEOSA-N 1 0 312.461 3.949 20 10 DHCDRO Cc1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000741806240 1018274072 /nfs/dbraw/zinc/27/40/72/1018274072.db2.gz QKDKHMHLMMOYJD-UHFFFAOYSA-N 1 0 315.486 3.991 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764431174 1018280504 /nfs/dbraw/zinc/28/05/04/1018280504.db2.gz BTRWGHYASHJULN-MPGHIAIKSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764431177 1018280781 /nfs/dbraw/zinc/28/07/81/1018280781.db2.gz BTRWGHYASHJULN-RLFYNMQTSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000764590486 1018325997 /nfs/dbraw/zinc/32/59/97/1018325997.db2.gz FBMROOALLGVQEH-CQSZACIVSA-N 1 0 302.393 3.621 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764716713 1018355433 /nfs/dbraw/zinc/35/54/33/1018355433.db2.gz JWPYTXYDFVJKOC-APWZRJJASA-N 1 0 312.457 3.651 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764760295 1018365987 /nfs/dbraw/zinc/36/59/87/1018365987.db2.gz HZEJAGHOOIVEGT-RDTXWAMCSA-N 1 0 317.502 3.768 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764760292 1018366452 /nfs/dbraw/zinc/36/64/52/1018366452.db2.gz HZEJAGHOOIVEGT-KDOFPFPSSA-N 1 0 317.502 3.768 20 10 DHCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756468997 1018380260 /nfs/dbraw/zinc/38/02/60/1018380260.db2.gz HEMAQDCSFSSWMZ-NSHDSACASA-N 1 0 317.351 3.501 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nc(C)cs2)cc1 ZINC000764878567 1018413327 /nfs/dbraw/zinc/41/33/27/1018413327.db2.gz CXLDPOOOLSBHSU-CQSZACIVSA-N 1 0 303.475 3.801 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922895994 1018439426 /nfs/dbraw/zinc/43/94/26/1018439426.db2.gz IDHPMNHTMZJKEX-BEBWJMSYSA-N 1 0 314.473 3.561 20 10 DHCDRO C[C@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)[C@@H]1C ZINC000765099783 1018476174 /nfs/dbraw/zinc/47/61/74/1018476174.db2.gz KEWGZLSTKRQTLS-CHWSQXEVSA-N 1 0 311.381 3.901 20 10 DHCDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280839 1018744062 /nfs/dbraw/zinc/74/40/62/1018744062.db2.gz CSEDQNAKDVINKH-QFBILLFUSA-N 1 0 304.478 3.828 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCc2occc21 ZINC000706828469 1018761776 /nfs/dbraw/zinc/76/17/76/1018761776.db2.gz FCKVIBZDEMQOAM-ZDUSSCGKSA-N 1 0 322.202 3.915 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000765394113 1018772373 /nfs/dbraw/zinc/77/23/73/1018772373.db2.gz NAUURNUPVFNLJW-UONOGXRCSA-N 1 0 322.880 3.873 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765423946 1018780959 /nfs/dbraw/zinc/78/09/59/1018780959.db2.gz KIKZRBIUUJRMNN-IUODEOHRSA-N 1 0 318.383 3.761 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000765433101 1018782619 /nfs/dbraw/zinc/78/26/19/1018782619.db2.gz VYVPWWVGOWDLPK-CRAIPNDOSA-N 1 0 310.441 3.797 20 10 DHCDRO CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942872 1018804136 /nfs/dbraw/zinc/80/41/36/1018804136.db2.gz GWIPYIHDXDECIH-ZDUSSCGKSA-N 1 0 305.249 3.739 20 10 DHCDRO CSCC1(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858187954 1032795526 /nfs/dbraw/zinc/79/55/26/1032795526.db2.gz NFUZVYCANUNBGJ-UHFFFAOYSA-N 1 0 314.445 3.654 20 10 DHCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765945025 1018950776 /nfs/dbraw/zinc/95/07/76/1018950776.db2.gz OUFRCEWITNPREA-APWZRJJASA-N 1 0 304.478 3.879 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@]2(C)CC2(F)F)cc1F ZINC000858192589 1032797329 /nfs/dbraw/zinc/79/73/29/1032797329.db2.gz NPVBJBKTFZRPRE-CQSZACIVSA-N 1 0 304.331 3.556 20 10 DHCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765946124 1018956210 /nfs/dbraw/zinc/95/62/10/1018956210.db2.gz NSEZHJKMBQDHNA-KHYOSLBOSA-N 1 0 322.468 3.874 20 10 DHCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921545946 1018978378 /nfs/dbraw/zinc/97/83/78/1018978378.db2.gz BJHHQHKNCLNSSD-UHFFFAOYSA-N 1 0 324.424 3.650 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1N(C)C ZINC000765609554 1018999190 /nfs/dbraw/zinc/99/91/90/1018999190.db2.gz QDKHFVAATRDIMQ-ZDUSSCGKSA-N 1 0 314.404 3.677 20 10 DHCDRO COc1cccc(C[NH2+]Cc2c(Cl)cccc2Cl)c1O ZINC000711331620 1019007721 /nfs/dbraw/zinc/00/77/21/1019007721.db2.gz ZGSXXABRLPZZJP-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000134633187 1019027891 /nfs/dbraw/zinc/02/78/91/1019027891.db2.gz LSHLUSPWJOSHDG-ZIFCJYIRSA-N 1 0 314.473 3.655 20 10 DHCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C3CCOCC3)cc2Cl)C1 ZINC000800275387 1019052327 /nfs/dbraw/zinc/05/23/27/1019052327.db2.gz BDFCYFVYLBLUFI-CQSZACIVSA-N 1 0 322.880 3.845 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCSCC1 ZINC000187118464 1019066615 /nfs/dbraw/zinc/06/66/15/1019066615.db2.gz XCOCNBCNUQNCEG-AWEZNQCLSA-N 1 0 304.503 3.690 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167151 1019098654 /nfs/dbraw/zinc/09/86/54/1019098654.db2.gz SFNBUTQWFHCCRZ-ZIFCJYIRSA-N 1 0 315.505 3.810 20 10 DHCDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239317 1032811891 /nfs/dbraw/zinc/81/18/91/1032811891.db2.gz LRXDXHOOTKVRJP-DOTOQJQBSA-N 1 0 319.445 3.692 20 10 DHCDRO CCC([NH2+]Cc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 ZINC000858230192 1032810597 /nfs/dbraw/zinc/81/05/97/1032810597.db2.gz RLBUZMJMCPXICT-UHFFFAOYSA-N 1 0 314.473 3.582 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2C2CCCCC2)c1 ZINC000858238786 1032812017 /nfs/dbraw/zinc/81/20/17/1032812017.db2.gz CWUSUZPFJAGJQJ-UHFFFAOYSA-N 1 0 313.445 3.772 20 10 DHCDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922015688 1019313124 /nfs/dbraw/zinc/31/31/24/1019313124.db2.gz RXURIWJDBQNWCZ-HNNXBMFYSA-N 1 0 312.461 3.600 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000766185599 1019428870 /nfs/dbraw/zinc/42/88/70/1019428870.db2.gz FBHKAYPLTDLMDV-WQANXHIZSA-N 1 0 316.489 3.997 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000766185588 1019432186 /nfs/dbraw/zinc/43/21/86/1019432186.db2.gz FBHKAYPLTDLMDV-FZDIXFNVSA-N 1 0 316.489 3.997 20 10 DHCDRO Cc1cnn(C)c1C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858293559 1032831628 /nfs/dbraw/zinc/83/16/28/1032831628.db2.gz NNPCJDMKZIBFDL-UHFFFAOYSA-N 1 0 322.456 3.734 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858299215 1032836597 /nfs/dbraw/zinc/83/65/97/1032836597.db2.gz RHBZBMOSLMXEAW-AWEZNQCLSA-N 1 0 320.795 3.553 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000187593056 1019755754 /nfs/dbraw/zinc/75/57/54/1019755754.db2.gz OGPHEZLAUMRMSU-LBPRGKRZSA-N 1 0 319.351 3.669 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C ZINC000765773551 1019861994 /nfs/dbraw/zinc/86/19/94/1019861994.db2.gz DQIAKQULVCUOAB-IAGOWNOFSA-N 1 0 303.494 3.668 20 10 DHCDRO CO[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000728049922 1019867660 /nfs/dbraw/zinc/86/76/60/1019867660.db2.gz NRPLUIJMUPNBMF-AWEZNQCLSA-N 1 0 311.381 3.902 20 10 DHCDRO COc1ccccc1C1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922210402 1019877266 /nfs/dbraw/zinc/87/72/66/1019877266.db2.gz RGQUWJUKBNZECL-UHFFFAOYSA-N 1 0 309.409 3.799 20 10 DHCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)C(=O)Nc1ccccc1 ZINC000731041801 1020059992 /nfs/dbraw/zinc/05/99/92/1020059992.db2.gz WZBJKASCBIVCQJ-UHFFFAOYSA-N 1 0 318.804 3.553 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922467628 1020087914 /nfs/dbraw/zinc/08/79/14/1020087914.db2.gz ZFHPFMDINDOLJO-UHFFFAOYSA-N 1 0 302.805 3.609 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(O)c1 ZINC001171734872 1032874873 /nfs/dbraw/zinc/87/48/73/1032874873.db2.gz QSMWOJCEASBZOE-MJGOQNOKSA-N 1 0 324.468 3.762 20 10 DHCDRO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000922505087 1020107894 /nfs/dbraw/zinc/10/78/94/1020107894.db2.gz QKSNCXUGMJHTSG-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922681739 1020205298 /nfs/dbraw/zinc/20/52/98/1020205298.db2.gz SHHRWPRMFTTYSR-NOZJJQNGSA-N 1 0 323.742 3.635 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCCCC3)C1)OCO2 ZINC000732191449 1020205440 /nfs/dbraw/zinc/20/54/40/1020205440.db2.gz YFHXVKKZKKAINL-UHFFFAOYSA-N 1 0 303.402 3.667 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000186302844 1020222118 /nfs/dbraw/zinc/22/21/18/1020222118.db2.gz YBRDJSNQUDFFKH-NLWGTHIKSA-N 1 0 310.441 3.878 20 10 DHCDRO CC(C)CCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000179332110 1020264876 /nfs/dbraw/zinc/26/48/76/1020264876.db2.gz QGYJMOAITZQSTM-UHFFFAOYSA-N 1 0 304.478 3.780 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCS[C@H](C)C3)CC2)cc1 ZINC000922836408 1020293256 /nfs/dbraw/zinc/29/32/56/1020293256.db2.gz BDIQSWVSIDQROX-ZBFHGGJFSA-N 1 0 320.502 3.538 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCS[C@@H](C)C2)ccc1OC ZINC000922842523 1020298564 /nfs/dbraw/zinc/29/85/64/1020298564.db2.gz MUFNLQWGULAGHP-BBRMVZONSA-N 1 0 309.475 3.605 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(O)c1OC ZINC000892431517 1020304150 /nfs/dbraw/zinc/30/41/50/1020304150.db2.gz RMCVZMUTVWZVNU-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccc(OCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733327844 1020375187 /nfs/dbraw/zinc/37/51/87/1020375187.db2.gz YCBNZMPLLPULAA-UHFFFAOYSA-N 1 0 316.420 3.759 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(N(C)C)cc1 ZINC000765902148 1020549398 /nfs/dbraw/zinc/54/93/98/1020549398.db2.gz AIXSFUVASVFAAR-MOPGFXCFSA-N 1 0 303.494 3.668 20 10 DHCDRO CCCC[N@H+](Cc1nccn1C(C)C)Cc1ccccc1O ZINC000282474415 1020573642 /nfs/dbraw/zinc/57/36/42/1020573642.db2.gz ODRXNNPCKMMCRW-UHFFFAOYSA-N 1 0 301.434 3.972 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1O ZINC001116648558 1020602715 /nfs/dbraw/zinc/60/27/15/1020602715.db2.gz YIHLKMCIMQUOBD-ZUZCIYMTSA-N 1 0 307.825 3.889 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000858486874 1032914430 /nfs/dbraw/zinc/91/44/30/1032914430.db2.gz SUJUUPBTSVPHIS-UGSOOPFHSA-N 1 0 312.413 3.988 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnn(CC)c2)cc1 ZINC000735675986 1020762775 /nfs/dbraw/zinc/76/27/75/1020762775.db2.gz CJGPZLMOZLZRLI-UHFFFAOYSA-N 1 0 314.477 3.819 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000187594055 1020806354 /nfs/dbraw/zinc/80/63/54/1020806354.db2.gz LJPNEKJRMJRNCL-GFCCVEGCSA-N 1 0 319.351 3.669 20 10 DHCDRO CCc1cc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000738160316 1020863447 /nfs/dbraw/zinc/86/34/47/1020863447.db2.gz IKTLCBQNIGZJHV-CQSZACIVSA-N 1 0 305.462 3.863 20 10 DHCDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738244047 1020867819 /nfs/dbraw/zinc/86/78/19/1020867819.db2.gz ULQCKVOMLQTEDX-MRXNPFEDSA-N 1 0 311.381 3.630 20 10 DHCDRO Cc1cccc(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000738298935 1020871050 /nfs/dbraw/zinc/87/10/50/1020871050.db2.gz JGKGFEDJDSUCON-UHFFFAOYSA-N 1 0 324.468 3.772 20 10 DHCDRO CCc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)[nH]n1 ZINC000738431772 1020875914 /nfs/dbraw/zinc/87/59/14/1020875914.db2.gz XSVPVMVXXKKDRW-UHFFFAOYSA-N 1 0 307.397 3.635 20 10 DHCDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546267 1032940548 /nfs/dbraw/zinc/94/05/48/1032940548.db2.gz QSNWULPPVVVYBG-CVAIRZPRSA-N 1 0 314.473 3.895 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1F ZINC000740000316 1020923299 /nfs/dbraw/zinc/92/32/99/1020923299.db2.gz ARTAVUCCEOHPRB-UHFFFAOYSA-N 1 0 321.484 3.636 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2CCSCC2)cc1F ZINC000740005782 1020923705 /nfs/dbraw/zinc/92/37/05/1020923705.db2.gz DPQIAMYOUKEUNZ-UHFFFAOYSA-N 1 0 310.482 3.905 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000858562051 1032946630 /nfs/dbraw/zinc/94/66/30/1032946630.db2.gz BGIBLHSZTPKZKS-HNNXBMFYSA-N 1 0 311.429 3.628 20 10 DHCDRO COc1cccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c1O ZINC000264514028 1032947012 /nfs/dbraw/zinc/94/70/12/1032947012.db2.gz ZYSPHERFHGFQSU-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO COc1cc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1C ZINC000741255206 1020994209 /nfs/dbraw/zinc/99/42/09/1020994209.db2.gz LVQPLJBEMILLBT-UHFFFAOYSA-N 1 0 316.420 3.541 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1C ZINC000926962743 1032949355 /nfs/dbraw/zinc/94/93/55/1032949355.db2.gz LWGVUWGFHLNLKX-JSGCOSHPSA-N 1 0 318.383 3.542 20 10 DHCDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742382912 1021109844 /nfs/dbraw/zinc/10/98/44/1021109844.db2.gz MQDNBRFOJREDSV-YJBOKZPZSA-N 1 0 320.452 3.721 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCCC2 ZINC000742390997 1021110528 /nfs/dbraw/zinc/11/05/28/1021110528.db2.gz YOHMQGNUAFLVGY-HZPDHXFCSA-N 1 0 309.837 3.873 20 10 DHCDRO Oc1ccccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000742372904 1021113406 /nfs/dbraw/zinc/11/34/06/1021113406.db2.gz KYGUUXHJNFKSSB-UHFFFAOYSA-N 1 0 317.816 3.841 20 10 DHCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCCC2)cc1 ZINC000180434133 1021113923 /nfs/dbraw/zinc/11/39/23/1021113923.db2.gz QBKMVSVUYCBJAP-QGZVFWFLSA-N 1 0 312.461 3.614 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000742375628 1021114488 /nfs/dbraw/zinc/11/44/88/1021114488.db2.gz SRFYMWWKYLFNRA-BEFAXECRSA-N 1 0 310.441 3.632 20 10 DHCDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000742380113 1021115406 /nfs/dbraw/zinc/11/54/06/1021115406.db2.gz HRRKKMOFBOLBNQ-HNNXBMFYSA-N 1 0 316.420 3.757 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1cccc(F)c1 ZINC000742380029 1021115616 /nfs/dbraw/zinc/11/56/16/1021115616.db2.gz KAOJSFXDPIZXMZ-CYBMUJFWSA-N 1 0 320.383 3.588 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742379350 1021116356 /nfs/dbraw/zinc/11/63/56/1021116356.db2.gz WFSJAKISJSSOMW-GUDVDZBRSA-N 1 0 314.473 3.582 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000858584709 1032957057 /nfs/dbraw/zinc/95/70/57/1032957057.db2.gz VVXJZJTWCYGYIZ-NQBHXWOUSA-N 1 0 303.324 3.629 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001140850995 1021248377 /nfs/dbraw/zinc/24/83/77/1021248377.db2.gz XTGJZSAUPZVZKI-SFHVURJKSA-N 1 0 308.441 3.953 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1)OCO2 ZINC000917477799 1021272105 /nfs/dbraw/zinc/27/21/05/1021272105.db2.gz JHSGXJXAKVLIHU-OAHLLOKOSA-N 1 0 303.402 3.666 20 10 DHCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000743394074 1021281262 /nfs/dbraw/zinc/28/12/62/1021281262.db2.gz CINLEZHZRJXFSH-KRWDZBQOSA-N 1 0 304.478 3.740 20 10 DHCDRO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)S1 ZINC000743378269 1021283609 /nfs/dbraw/zinc/28/36/09/1021283609.db2.gz UXZSRULNLWAZQI-TXEJJXNPSA-N 1 0 309.475 3.721 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154543958 1021373468 /nfs/dbraw/zinc/37/34/68/1021373468.db2.gz WDPYYKZNLNMCHB-QFBILLFUSA-N 1 0 304.478 3.879 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC1CCC1 ZINC000743840580 1021374594 /nfs/dbraw/zinc/37/45/94/1021374594.db2.gz GDNAEUXTNPYONZ-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccnc2C)cc1F ZINC000109016083 1021385727 /nfs/dbraw/zinc/38/57/27/1021385727.db2.gz UXUDDWRTUHGIBD-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO CCCn1nccc1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000850128852 1021423236 /nfs/dbraw/zinc/42/32/36/1021423236.db2.gz LEUKRTXFSIUPIQ-UHFFFAOYSA-N 1 0 318.440 3.568 20 10 DHCDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236605659 1021424579 /nfs/dbraw/zinc/42/45/79/1021424579.db2.gz SLMQSGVXMUWYPH-UXHICEINSA-N 1 0 316.489 3.828 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1 ZINC000154618618 1021424811 /nfs/dbraw/zinc/42/48/11/1021424811.db2.gz BVTJIOOOUKAHKX-SJORKVTESA-N 1 0 306.494 3.838 20 10 DHCDRO COc1cc(C[NH2+]CCC2CC(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000850341375 1021478564 /nfs/dbraw/zinc/47/85/64/1021478564.db2.gz ILTBVBDDNCHLRZ-UHFFFAOYSA-N 1 0 321.461 3.603 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2ccnc3ccccc23)cc1C ZINC000850356015 1021483693 /nfs/dbraw/zinc/48/36/93/1021483693.db2.gz NWWSUPGYPXBFBE-UHFFFAOYSA-N 1 0 306.409 3.890 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386955 1021503326 /nfs/dbraw/zinc/50/33/26/1021503326.db2.gz NHORKDJZOVJXBX-WUUFJKRQSA-N 1 0 308.425 3.749 20 10 DHCDRO C[C@H]([NH2+]CCCCCCO)c1ccc(N2CCCCC2)cc1 ZINC000182148701 1021505766 /nfs/dbraw/zinc/50/57/66/1021505766.db2.gz SLDKNSFRTYVKDG-KRWDZBQOSA-N 1 0 304.478 3.880 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394852 1021507114 /nfs/dbraw/zinc/50/71/14/1021507114.db2.gz GPIZQLPMNKMLHI-VQTJNVASSA-N 1 0 313.441 3.857 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H](OC)C2CCCC2)ccc1OC ZINC000850400139 1021509324 /nfs/dbraw/zinc/50/93/24/1021509324.db2.gz ACHDLSMEWBCOAY-LJQANCHMSA-N 1 0 321.461 3.527 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H](OC)C2CCCC2)ccc1OC ZINC000850400138 1021510048 /nfs/dbraw/zinc/51/00/48/1021510048.db2.gz ACHDLSMEWBCOAY-IBGZPJMESA-N 1 0 321.461 3.527 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000695087648 1021512707 /nfs/dbraw/zinc/51/27/07/1021512707.db2.gz KGFOWIYJLUTVGT-NSHDSACASA-N 1 0 305.752 3.722 20 10 DHCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406447 1021513842 /nfs/dbraw/zinc/51/38/42/1021513842.db2.gz GXJZQRPNPRTEOB-WMZOPIPTSA-N 1 0 316.489 3.564 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414396 1021518909 /nfs/dbraw/zinc/51/89/09/1021518909.db2.gz ZRGLPYRRBZRZHR-ROUUACIJSA-N 1 0 319.832 3.893 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850433988 1021530541 /nfs/dbraw/zinc/53/05/41/1021530541.db2.gz SZCBPUJIQLDDQW-GOSISDBHSA-N 1 0 314.473 3.724 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(C)oc3C)C2)cc1 ZINC000850486980 1021560321 /nfs/dbraw/zinc/56/03/21/1021560321.db2.gz DWUVXXRPJSRSEX-GDBMZVCRSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)s3)C2)cc1 ZINC000850488222 1021561658 /nfs/dbraw/zinc/56/16/58/1021561658.db2.gz LYBVWGQUYXZZNW-GJZGRUSLSA-N 1 0 316.470 3.995 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850495272 1021563046 /nfs/dbraw/zinc/56/30/46/1021563046.db2.gz ZHXVIFLDOQIZOM-BZPMIXESSA-N 1 0 306.425 3.542 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1O ZINC000850505062 1021566433 /nfs/dbraw/zinc/56/64/33/1021566433.db2.gz LZLFXKWLFSIIEE-ABAIWWIYSA-N 1 0 317.351 3.933 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000850514318 1021570304 /nfs/dbraw/zinc/57/03/04/1021570304.db2.gz DTEUWRJUWILVQP-SJORKVTESA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850515488 1021573002 /nfs/dbraw/zinc/57/30/02/1021573002.db2.gz LOQLAXAAQGLZNB-ZWNOBZJWSA-N 1 0 317.351 3.613 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1O ZINC000850521030 1021575620 /nfs/dbraw/zinc/57/56/20/1021575620.db2.gz MTODXQAIPPSRLA-GFCCVEGCSA-N 1 0 301.361 3.923 20 10 DHCDRO CCCSC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728885 1021580279 /nfs/dbraw/zinc/58/02/79/1021580279.db2.gz GKZIMMKZUQQALY-JKSUJKDBSA-N 1 0 322.518 3.706 20 10 DHCDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(Cl)cc1O ZINC000850534031 1021586808 /nfs/dbraw/zinc/58/68/08/1021586808.db2.gz FPMPKLIZQBCTNZ-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850535777 1021589814 /nfs/dbraw/zinc/58/98/14/1021589814.db2.gz BIXGBPMSXIFOFW-PRHODGIISA-N 1 0 320.177 3.851 20 10 DHCDRO CC[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536846 1021591146 /nfs/dbraw/zinc/59/11/46/1021591146.db2.gz KHWJOQQWZRXLBN-ZBFHGGJFSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1C ZINC000850550785 1021598488 /nfs/dbraw/zinc/59/84/88/1021598488.db2.gz OIFNUQCCGUIICU-CQSZACIVSA-N 1 0 313.445 3.861 20 10 DHCDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000850551819 1021600771 /nfs/dbraw/zinc/60/07/71/1021600771.db2.gz VOPKWTFFXZMGIL-KRWDZBQOSA-N 1 0 324.472 3.669 20 10 DHCDRO CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(C)cc1O ZINC000850565975 1021608840 /nfs/dbraw/zinc/60/88/40/1021608840.db2.gz ITMFOTRGUZKPCO-AWEZNQCLSA-N 1 0 313.388 3.682 20 10 DHCDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566629 1021610807 /nfs/dbraw/zinc/61/08/07/1021610807.db2.gz QECBDKQXAYKDRX-QGZVFWFLSA-N 1 0 316.489 3.872 20 10 DHCDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568062 1021610969 /nfs/dbraw/zinc/61/09/69/1021610969.db2.gz OTTXGRPGUFHNNP-DLBZAZTESA-N 1 0 318.505 3.952 20 10 DHCDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568167 1021611171 /nfs/dbraw/zinc/61/11/71/1021611171.db2.gz QOSZGLNMNUSZPY-RBUKOAKNSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850567403 1021611530 /nfs/dbraw/zinc/61/15/30/1021611530.db2.gz BNQMITBMYANSHK-GUXCAODWSA-N 1 0 316.489 3.562 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC2SCCS2)cc1 ZINC000850571372 1021614452 /nfs/dbraw/zinc/61/44/52/1021614452.db2.gz UPHSGCKROXKNGG-CYBMUJFWSA-N 1 0 310.532 3.990 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573062 1021616651 /nfs/dbraw/zinc/61/66/51/1021616651.db2.gz TZWNQFLKYTVPOW-JKSUJKDBSA-N 1 0 312.461 3.822 20 10 DHCDRO CCCSC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000892812317 1021635061 /nfs/dbraw/zinc/63/50/61/1021635061.db2.gz LCLPNFBBLSGDDW-OAHLLOKOSA-N 1 0 322.518 3.785 20 10 DHCDRO CCCC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001236138459 1021662891 /nfs/dbraw/zinc/66/28/91/1021662891.db2.gz IEJXHOQKVKWONQ-CYBMUJFWSA-N 1 0 317.260 3.663 20 10 DHCDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000236655682 1021665303 /nfs/dbraw/zinc/66/53/03/1021665303.db2.gz VIIJUBBZZFJXLM-UHFFFAOYSA-N 1 0 311.425 3.946 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892973911 1021751830 /nfs/dbraw/zinc/75/18/30/1021751830.db2.gz YJFFFZQKIAEIDG-LJQANCHMSA-N 1 0 315.413 3.824 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1 ZINC000776522080 1021819578 /nfs/dbraw/zinc/81/95/78/1021819578.db2.gz ZIXVAJAUYCJADG-QGZVFWFLSA-N 1 0 312.457 3.526 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)CC(C)C ZINC000155021619 1021819560 /nfs/dbraw/zinc/81/95/60/1021819560.db2.gz OEDCIXGOROQAOA-ZBFHGGJFSA-N 1 0 322.449 3.594 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000155052257 1021848581 /nfs/dbraw/zinc/84/85/81/1021848581.db2.gz NQMFXWBLSQSWRB-LJQANCHMSA-N 1 0 321.424 3.861 20 10 DHCDRO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000851716769 1021972912 /nfs/dbraw/zinc/97/29/12/1021972912.db2.gz QTZHRLYEYXVTRD-RTBURBONSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000851950426 1022049600 /nfs/dbraw/zinc/04/96/00/1022049600.db2.gz OXVJJOWGDOYBOX-LBPRGKRZSA-N 1 0 317.364 3.651 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000179683262 1022076569 /nfs/dbraw/zinc/07/65/69/1022076569.db2.gz OHBQKBOOSRINAA-LLVKDONJSA-N 1 0 307.340 3.872 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)c1cccc(OC)c1 ZINC000179723312 1022078131 /nfs/dbraw/zinc/07/81/31/1022078131.db2.gz FJMWTSVILAHXJZ-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO CN(C)c1ccc(CN2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852115265 1022079393 /nfs/dbraw/zinc/07/93/93/1022079393.db2.gz DPUVSWVOVCHRNR-UHFFFAOYSA-N 1 0 323.484 3.507 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000766368534 1022084805 /nfs/dbraw/zinc/08/48/05/1022084805.db2.gz IOJNAFUUTHONHY-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000766437505 1022113258 /nfs/dbraw/zinc/11/32/58/1022113258.db2.gz OINUHJDRPRKYLR-OTWHNJEPSA-N 1 0 304.478 3.735 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)CC(F)(F)F)ccc1OC ZINC000766480480 1022129668 /nfs/dbraw/zinc/12/96/68/1022129668.db2.gz WFQAKQCZDSBSAM-LLVKDONJSA-N 1 0 305.340 3.662 20 10 DHCDRO COc1cccc(C[NH2+]CCc2c(C)oc3ccccc32)c1O ZINC000766479968 1022129055 /nfs/dbraw/zinc/12/90/55/1022129055.db2.gz QUIJHXPUPOFADU-UHFFFAOYSA-N 1 0 311.381 3.788 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccccc1O ZINC000183428277 1022143090 /nfs/dbraw/zinc/14/30/90/1022143090.db2.gz KPYWZRIXGJFLGM-AWEZNQCLSA-N 1 0 312.413 3.959 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1O ZINC000110737193 1022150049 /nfs/dbraw/zinc/15/00/49/1022150049.db2.gz MRNBNJCLJSMVAE-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO C[C@@H](CC[NH2+][C@@H](C)c1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000183541022 1022180771 /nfs/dbraw/zinc/18/07/71/1022180771.db2.gz QMDWPXZUOFGKRC-IRXDYDNUSA-N 1 0 312.457 3.953 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000071408323 1022181250 /nfs/dbraw/zinc/18/12/50/1022181250.db2.gz DMIGPDWLKKNNKK-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183556530 1022189384 /nfs/dbraw/zinc/18/93/84/1022189384.db2.gz QUBLQUXQRGDIBP-BQFCYCMXSA-N 1 0 310.441 3.706 20 10 DHCDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183633007 1022218132 /nfs/dbraw/zinc/21/81/32/1022218132.db2.gz VEEMCNKRFAMQFF-CABCVRRESA-N 1 0 315.413 3.767 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)CC(F)(F)F)c1 ZINC000853096396 1022220535 /nfs/dbraw/zinc/22/05/35/1022220535.db2.gz ZXRFQPIACDUDMK-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1C ZINC000853095369 1022220978 /nfs/dbraw/zinc/22/09/78/1022220978.db2.gz LQEUXZSUWLPPKW-UHFFFAOYSA-N 1 0 310.319 3.707 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239123 1022240341 /nfs/dbraw/zinc/24/03/41/1022240341.db2.gz AKDOHSUEZDQAOY-DZGCQCFKSA-N 1 0 322.880 3.818 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766574939 1022241475 /nfs/dbraw/zinc/24/14/75/1022241475.db2.gz WHUVDEBDKAQBGE-IIDMSEBBSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241902 1022242785 /nfs/dbraw/zinc/24/27/85/1022242785.db2.gz YSFTWMVCEBYGTK-CRAIPNDOSA-N 1 0 320.452 3.694 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O ZINC000853240157 1022243078 /nfs/dbraw/zinc/24/30/78/1022243078.db2.gz GZRAWZCFXPWAGU-CJNGLKHVSA-N 1 0 319.445 3.801 20 10 DHCDRO Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3ccccc3O)cc2)n1 ZINC000111236423 1022253032 /nfs/dbraw/zinc/25/30/32/1022253032.db2.gz DNOKMMILEAKFFO-UHFFFAOYSA-N 1 0 321.424 3.827 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000183671868 1022262560 /nfs/dbraw/zinc/26/25/60/1022262560.db2.gz APCCHODENFUAJY-LSDHHAIUSA-N 1 0 305.418 3.509 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CSc3ccccc3C2)cc1 ZINC001172210179 1033043609 /nfs/dbraw/zinc/04/36/09/1033043609.db2.gz VSUBTCUBXBFPOQ-GOSISDBHSA-N 1 0 312.482 3.901 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1ccco1 ZINC000183132863 1022329330 /nfs/dbraw/zinc/32/93/30/1022329330.db2.gz JQGNXBXHCBMCEK-UHFFFAOYSA-N 1 0 309.365 3.854 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000183226169 1022336563 /nfs/dbraw/zinc/33/65/63/1022336563.db2.gz HOMGBOBQOKPZLT-OKYOBFRVSA-N 1 0 314.473 3.751 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccncc2)cc1F ZINC000183747526 1022348028 /nfs/dbraw/zinc/34/80/28/1022348028.db2.gz XLBTUKLQWZMERL-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000179562110 1022470845 /nfs/dbraw/zinc/47/08/45/1022470845.db2.gz BATRLOLZBSVKLR-UHFFFAOYSA-N 1 0 311.425 3.616 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468292 1022493259 /nfs/dbraw/zinc/49/32/59/1022493259.db2.gz IASXXIUWVRWHRS-LXIYXOSZSA-N 1 0 303.377 3.612 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000179696080 1022506113 /nfs/dbraw/zinc/50/61/13/1022506113.db2.gz ZAMVEEXIHYLABI-UHFFFAOYSA-N 1 0 310.397 3.683 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000179679325 1022507252 /nfs/dbraw/zinc/50/72/52/1022507252.db2.gz LEWOPAPJNAZWCF-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1OC ZINC000179682166 1022507405 /nfs/dbraw/zinc/50/74/05/1022507405.db2.gz GYIRHIXMMOMECL-CQSZACIVSA-N 1 0 315.413 3.911 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cc(F)ccc2F)c1 ZINC000185633752 1022507845 /nfs/dbraw/zinc/50/78/45/1022507845.db2.gz JHGXHEBOOPAKQP-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1O ZINC000179721369 1022512336 /nfs/dbraw/zinc/51/23/36/1022512336.db2.gz YOVYFWXGGKHPPC-UHFFFAOYSA-N 1 0 310.397 3.685 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000273303806 1022534314 /nfs/dbraw/zinc/53/43/14/1022534314.db2.gz CEMSWKBNCDNJKD-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000179876094 1022563321 /nfs/dbraw/zinc/56/33/21/1022563321.db2.gz HOJJSZJEXGOEOE-OAHLLOKOSA-N 1 0 312.413 3.607 20 10 DHCDRO C[N@@H+](Cc1cc(F)ccc1O)Cc1ccccc1N1CCCC1 ZINC000179890670 1022565967 /nfs/dbraw/zinc/56/59/67/1022565967.db2.gz WDWXLUNRACDMMP-UHFFFAOYSA-N 1 0 314.404 3.764 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000697824515 1033065037 /nfs/dbraw/zinc/06/50/37/1033065037.db2.gz PIUPDKMSWWJUOJ-DZGCQCFKSA-N 1 0 322.449 3.594 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000179938075 1022584365 /nfs/dbraw/zinc/58/43/65/1022584365.db2.gz HXANKWIHIADPON-UHFFFAOYSA-N 1 0 301.361 3.575 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2OC(F)(F)F)c1 ZINC000113316585 1022626366 /nfs/dbraw/zinc/62/63/66/1022626366.db2.gz SDKMJKNJUJBEQN-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001141159215 1022650408 /nfs/dbraw/zinc/65/04/08/1022650408.db2.gz CHBNTKCQRXWRJZ-LBPRGKRZSA-N 1 0 303.789 3.741 20 10 DHCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000763650288 1022682282 /nfs/dbraw/zinc/68/22/82/1022682282.db2.gz YOBLBNIKIDTMDK-LLVKDONJSA-N 1 0 310.235 3.919 20 10 DHCDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000188063325 1022739183 /nfs/dbraw/zinc/73/91/83/1022739183.db2.gz LBXGDHDMVDLEKE-OAHLLOKOSA-N 1 0 320.452 3.629 20 10 DHCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172321781 1033087588 /nfs/dbraw/zinc/08/75/88/1033087588.db2.gz OXTYTKVOBBUTEX-SJORKVTESA-N 1 0 304.478 3.970 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000876558508 1033090801 /nfs/dbraw/zinc/09/08/01/1033090801.db2.gz QCWSJAFAYMWGSJ-UHFFFAOYSA-N 1 0 309.409 3.796 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000768162342 1022907177 /nfs/dbraw/zinc/90/71/77/1022907177.db2.gz BSSANNQAIYCKQF-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2cccc(C)c2)c1 ZINC000768212604 1022923679 /nfs/dbraw/zinc/92/36/79/1022923679.db2.gz MSHVIGJEAXIKHU-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c1c(F)ccc2O ZINC000768239274 1022925628 /nfs/dbraw/zinc/92/56/28/1022925628.db2.gz IKXATOWMMCLITE-IDCBMKOBSA-N 1 0 317.404 3.627 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2ccccc2C)c1 ZINC000768213775 1022927873 /nfs/dbraw/zinc/92/78/73/1022927873.db2.gz SRVUOFIZGNWSOG-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000181068999 1022928436 /nfs/dbraw/zinc/92/84/36/1022928436.db2.gz BQWHNDCIWIRTHN-SNRMKQJTSA-N 1 0 302.462 3.631 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c(O)c1 ZINC000768235876 1022930172 /nfs/dbraw/zinc/93/01/72/1022930172.db2.gz AJWHWLJIRUSXSA-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C2CC2)o1 ZINC000768257524 1022932287 /nfs/dbraw/zinc/93/22/87/1022932287.db2.gz KPMAYGFBVPBYPZ-UHFFFAOYSA-N 1 0 302.393 3.958 20 10 DHCDRO CCCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000768256318 1022934029 /nfs/dbraw/zinc/93/40/29/1022934029.db2.gz BVDOBZGWSGNHRQ-UHFFFAOYSA-N 1 0 312.461 3.524 20 10 DHCDRO C[C@H]1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859616 1022934981 /nfs/dbraw/zinc/93/49/81/1022934981.db2.gz LURLKFMQEXLPTQ-WMLDXEAASA-N 1 0 301.386 3.555 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(C)C)c1O ZINC000768268333 1022935106 /nfs/dbraw/zinc/93/51/06/1022935106.db2.gz HWVNUAINNAIOCB-SNVBAGLBSA-N 1 0 316.239 3.640 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000768258960 1022935452 /nfs/dbraw/zinc/93/54/52/1022935452.db2.gz ZYNBMOYOXYPWMT-UHFFFAOYSA-N 1 0 301.386 3.857 20 10 DHCDRO CCOc1cccc(C[NH+]2CC(Cc3ccsc3)C2)c1O ZINC000857067680 1022940614 /nfs/dbraw/zinc/94/06/14/1022940614.db2.gz DLMAQVFRQSDNFZ-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000857080595 1022945128 /nfs/dbraw/zinc/94/51/28/1022945128.db2.gz JESMDEOHNKSLEK-IUCAKERBSA-N 1 0 320.177 3.851 20 10 DHCDRO CCC[C@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000768338695 1022947448 /nfs/dbraw/zinc/94/74/48/1022947448.db2.gz OHJXFBTWHWSPIN-JTQLQIEISA-N 1 0 316.239 3.784 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1OC ZINC000768440942 1022967055 /nfs/dbraw/zinc/96/70/55/1022967055.db2.gz BDTCXEYUKKRFMA-MRXNPFEDSA-N 1 0 319.445 3.954 20 10 DHCDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462956 1022973531 /nfs/dbraw/zinc/97/35/31/1022973531.db2.gz PGKWZPVSURMDFA-UKRRQHHQSA-N 1 0 307.434 3.810 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](CC)CCc2cccs2)c1 ZINC000768758283 1023023098 /nfs/dbraw/zinc/02/30/98/1023023098.db2.gz MVFWIORELOUOEA-UHFFFAOYSA-N 1 0 305.443 3.917 20 10 DHCDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876572467 1033095481 /nfs/dbraw/zinc/09/54/81/1033095481.db2.gz DUIKUAITTULBCV-APWZRJJASA-N 1 0 316.489 3.658 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000123430183 1023038668 /nfs/dbraw/zinc/03/86/68/1023038668.db2.gz CQHLBTYPRWBJJQ-IRXDYDNUSA-N 1 0 300.446 3.530 20 10 DHCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1ccc(F)cc1 ZINC000768911386 1023052897 /nfs/dbraw/zinc/05/28/97/1023052897.db2.gz NJDRGOSAJPQDLS-GFCCVEGCSA-N 1 0 317.360 3.843 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000769106889 1023085840 /nfs/dbraw/zinc/08/58/40/1023085840.db2.gz RLMIDRMLSQXTSF-GOSISDBHSA-N 1 0 313.397 3.834 20 10 DHCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000769122445 1023087521 /nfs/dbraw/zinc/08/75/21/1023087521.db2.gz ZGJHDTUREGRNGN-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769188237 1023099003 /nfs/dbraw/zinc/09/90/03/1023099003.db2.gz GLENMHJSPQUPIM-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC ZINC000769319692 1023121660 /nfs/dbraw/zinc/12/16/60/1023121660.db2.gz WZCAVIYXAQBULU-INIZCTEOSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001172372714 1033106648 /nfs/dbraw/zinc/10/66/48/1033106648.db2.gz GTKIGNGSMKRMKK-FUHIMQAGSA-N 1 0 316.489 3.780 20 10 DHCDRO COc1ccccc1CC[N@H+](C)Cc1c(O)cccc1Cl ZINC000769333766 1023124759 /nfs/dbraw/zinc/12/47/59/1023124759.db2.gz KXSNBOZACWALJI-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000769330521 1023125304 /nfs/dbraw/zinc/12/53/04/1023125304.db2.gz OPPXUXVKIGPMHA-HXUWFJFHSA-N 1 0 315.505 3.593 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000184811895 1023130041 /nfs/dbraw/zinc/13/00/41/1023130041.db2.gz ICWANQILHSGFNJ-HXUWFJFHSA-N 1 0 309.409 3.640 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769390607 1023138956 /nfs/dbraw/zinc/13/89/56/1023138956.db2.gz ZZBMGYXLNQHYTG-CQSZACIVSA-N 1 0 316.420 3.660 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1)c1cc(Br)ccc1O ZINC000020140970 1023143939 /nfs/dbraw/zinc/14/39/39/1023143939.db2.gz XLHHLINCMLZWDP-AWEZNQCLSA-N 1 0 321.218 3.791 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000769442980 1023150485 /nfs/dbraw/zinc/15/04/85/1023150485.db2.gz NZISXSBLJJOKGS-UHFFFAOYSA-N 1 0 303.406 3.569 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000769446131 1023154141 /nfs/dbraw/zinc/15/41/41/1023154141.db2.gz NXSHCRJORPJFGW-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000769497793 1023166359 /nfs/dbraw/zinc/16/63/59/1023166359.db2.gz BHULPBXEVHQXMB-NVXWUHKLSA-N 1 0 311.425 3.854 20 10 DHCDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769503401 1023168218 /nfs/dbraw/zinc/16/82/18/1023168218.db2.gz JYGSESKJBYRNMF-QGZVFWFLSA-N 1 0 302.462 3.535 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000769532178 1023173731 /nfs/dbraw/zinc/17/37/31/1023173731.db2.gz HSEVBNJHSYIAEH-SFHVURJKSA-N 1 0 304.478 3.781 20 10 DHCDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769537050 1023175401 /nfs/dbraw/zinc/17/54/01/1023175401.db2.gz HCQSIOZKZVJDNR-HNNXBMFYSA-N 1 0 308.441 3.530 20 10 DHCDRO CCCN(Cc1csc([N+](=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC000194977592 1023202435 /nfs/dbraw/zinc/20/24/35/1023202435.db2.gz NOCDHDARBTUQSP-UHFFFAOYSA-N 1 0 305.403 3.532 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1C ZINC000769924437 1023249184 /nfs/dbraw/zinc/24/91/84/1023249184.db2.gz RXEZHKDVTBLSJC-UHFFFAOYSA-N 1 0 323.440 3.915 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1F ZINC000769934777 1023250184 /nfs/dbraw/zinc/25/01/84/1023250184.db2.gz PAYRSTKCHAGGNA-MRXNPFEDSA-N 1 0 322.449 3.557 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc2ccccc2c1O ZINC000769988124 1023257937 /nfs/dbraw/zinc/25/79/37/1023257937.db2.gz NCWIIGSQTVFESL-YVEFUNNKSA-N 1 0 313.422 3.991 20 10 DHCDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876683147 1033119172 /nfs/dbraw/zinc/11/91/72/1033119172.db2.gz QAIXNWAEFQBFNT-IBGZPJMESA-N 1 0 316.489 3.658 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000770305314 1023295449 /nfs/dbraw/zinc/29/54/49/1023295449.db2.gz SJYFTUQVFDLPMS-NRFANRHFSA-N 1 0 324.468 3.586 20 10 DHCDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000770324348 1023297007 /nfs/dbraw/zinc/29/70/07/1023297007.db2.gz JGNSZLUHIWISAT-FQEVSTJZSA-N 1 0 316.489 3.924 20 10 DHCDRO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)c(O)c1 ZINC000770352452 1023304240 /nfs/dbraw/zinc/30/42/40/1023304240.db2.gz NWRKERXYBLFSIP-MSOLQXFVSA-N 1 0 319.445 3.570 20 10 DHCDRO CC(C)(C)C1=CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000770387137 1023309687 /nfs/dbraw/zinc/30/96/87/1023309687.db2.gz WYXUGBNNXSOMPH-UHFFFAOYSA-N 1 0 314.473 3.701 20 10 DHCDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000770510040 1023316731 /nfs/dbraw/zinc/31/67/31/1023316731.db2.gz VURWMPZSMLUGSI-VQIMIIECSA-N 1 0 302.462 3.534 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749988 1023347411 /nfs/dbraw/zinc/34/74/11/1023347411.db2.gz ZIQMTPHUOPFENT-ORAYPTAESA-N 1 0 315.388 3.626 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C)cc1O)CCC2 ZINC000876732531 1033128480 /nfs/dbraw/zinc/12/84/80/1033128480.db2.gz YGFFUSSSPVFHCS-HNNXBMFYSA-N 1 0 302.443 3.975 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000771380043 1023424483 /nfs/dbraw/zinc/42/44/83/1023424483.db2.gz DZFABWJNSCWPQF-IBGZPJMESA-N 1 0 312.457 3.795 20 10 DHCDRO CC[C@@H](C)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771842447 1023474208 /nfs/dbraw/zinc/47/42/08/1023474208.db2.gz NQFTZQGIDYRAIH-ZIAGYGMSSA-N 1 0 312.404 3.893 20 10 DHCDRO CC[C@@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000771823500 1023476569 /nfs/dbraw/zinc/47/65/69/1023476569.db2.gz GCRJZRZWGKFCPX-KFWWJZLASA-N 1 0 308.441 3.575 20 10 DHCDRO CC[C@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000771823503 1023476830 /nfs/dbraw/zinc/47/68/30/1023476830.db2.gz GCRJZRZWGKFCPX-SOUVJXGZSA-N 1 0 308.441 3.575 20 10 DHCDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000771924210 1023485489 /nfs/dbraw/zinc/48/54/89/1023485489.db2.gz DGGLUCMQEANQNA-UHFFFAOYSA-N 1 0 324.468 3.934 20 10 DHCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000785554271 1023589418 /nfs/dbraw/zinc/58/94/18/1023589418.db2.gz PEOXSVMPDKIDGI-RDJZCZTQSA-N 1 0 320.452 3.721 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000785604847 1023593894 /nfs/dbraw/zinc/59/38/94/1023593894.db2.gz AFGPTSQNPSUFBJ-UHFFFAOYSA-N 1 0 316.489 3.972 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000876804188 1033147689 /nfs/dbraw/zinc/14/76/89/1033147689.db2.gz NJHKSAXROSNMEX-NVXWUHKLSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876805391 1033148263 /nfs/dbraw/zinc/14/82/63/1033148263.db2.gz ZQPSIWDTOJEIQX-YOEHRIQHSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000785990252 1023648859 /nfs/dbraw/zinc/64/88/59/1023648859.db2.gz ZYVZEUSUWVPKRL-HLIPFELVSA-N 1 0 316.489 3.658 20 10 DHCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c(C)cccc2C)c1 ZINC000756757432 1023702569 /nfs/dbraw/zinc/70/25/69/1023702569.db2.gz BXENBBCLVJKEHV-AWEZNQCLSA-N 1 0 313.397 3.646 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCSC1 ZINC000787041878 1023752503 /nfs/dbraw/zinc/75/25/03/1023752503.db2.gz LXCSYTMJAFDXKY-AWEZNQCLSA-N 1 0 303.427 3.741 20 10 DHCDRO COc1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1C ZINC000788069696 1023848022 /nfs/dbraw/zinc/84/80/22/1023848022.db2.gz CGOLFXIEVUHTQS-UHFFFAOYSA-N 1 0 321.367 3.937 20 10 DHCDRO Cc1cccc(O)c1CNc1ccc(OCCC[NH+](C)C)cc1 ZINC000876857667 1033168090 /nfs/dbraw/zinc/16/80/90/1033168090.db2.gz GSBDVCNTGABRHR-UHFFFAOYSA-N 1 0 314.429 3.643 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788260193 1023867592 /nfs/dbraw/zinc/86/75/92/1023867592.db2.gz VQXCLLMQLNXBRJ-GOEBONIOSA-N 1 0 301.434 3.525 20 10 DHCDRO Cc1ccc(CNc2cccc(OCCC[NH+](C)C)c2)c(O)c1 ZINC000876860543 1033168298 /nfs/dbraw/zinc/16/82/98/1033168298.db2.gz DEOSTIQWFYDHJG-UHFFFAOYSA-N 1 0 314.429 3.643 20 10 DHCDRO CCCCCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172382280 1033170013 /nfs/dbraw/zinc/17/00/13/1033170013.db2.gz KVVQFBYNTKNFQM-MAUKXSAKSA-N 1 0 309.450 3.860 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000788544181 1023902618 /nfs/dbraw/zinc/90/26/18/1023902618.db2.gz CZGPYFRCKDOGOR-FQEVSTJZSA-N 1 0 310.441 3.894 20 10 DHCDRO Cc1ccc(O)c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000788533464 1023906983 /nfs/dbraw/zinc/90/69/83/1023906983.db2.gz YVMPPEXYGRKQBG-QGZVFWFLSA-N 1 0 312.413 3.698 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000788611242 1023907675 /nfs/dbraw/zinc/90/76/75/1023907675.db2.gz PQNHPFLJXZYDNC-MRXNPFEDSA-N 1 0 316.489 3.736 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1C ZINC000788611172 1023908039 /nfs/dbraw/zinc/90/80/39/1023908039.db2.gz NGDWNIRTZCWJQM-HNNXBMFYSA-N 1 0 303.446 3.602 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cn2ccccc2n1 ZINC000788585522 1023909940 /nfs/dbraw/zinc/90/99/40/1023909940.db2.gz VRTLMDXJQNOCID-HNNXBMFYSA-N 1 0 320.440 3.568 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c(O)c1 ZINC000788669897 1023922826 /nfs/dbraw/zinc/92/28/26/1023922826.db2.gz GIBZRIJMHPPQOT-CQSZACIVSA-N 1 0 311.429 3.570 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1 ZINC000788752361 1023929363 /nfs/dbraw/zinc/92/93/63/1023929363.db2.gz VMRKNYMGRRUNLR-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788795568 1023934405 /nfs/dbraw/zinc/93/44/05/1023934405.db2.gz AHFMNZFUKYNODB-CQSZACIVSA-N 1 0 314.385 3.811 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1 ZINC000788774277 1023938062 /nfs/dbraw/zinc/93/80/62/1023938062.db2.gz FQJOJVPBWHJYLW-WBVHZDCISA-N 1 0 302.462 3.677 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000788784173 1023938499 /nfs/dbraw/zinc/93/84/99/1023938499.db2.gz PHZFZPJQSRUTLV-UONOGXRCSA-N 1 0 322.449 3.573 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000788831037 1023941640 /nfs/dbraw/zinc/94/16/40/1023941640.db2.gz HLWCDRACBCHBRU-LJQANCHMSA-N 1 0 312.457 3.602 20 10 DHCDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000788970380 1023954954 /nfs/dbraw/zinc/95/49/54/1023954954.db2.gz RVNMTSZZZLOWMS-UHFFFAOYSA-N 1 0 309.365 3.666 20 10 DHCDRO CCOC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)C ZINC000788985741 1023958697 /nfs/dbraw/zinc/95/86/97/1023958697.db2.gz QVJVQRFWDSEQGA-KBXCAEBGSA-N 1 0 305.462 3.983 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cnn(C)c1 ZINC000278858263 1023968972 /nfs/dbraw/zinc/96/89/72/1023968972.db2.gz WEQGJDITEOVYHY-BDAKNGLRSA-N 1 0 314.216 3.844 20 10 DHCDRO CC[C@H](CC(C)C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172394227 1033177925 /nfs/dbraw/zinc/17/79/25/1033177925.db2.gz OYZBVLHQHSSLGS-QGZVFWFLSA-N 1 0 304.478 3.771 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@@H](OCC)c2ccccc2)c1O ZINC000194462778 1024004265 /nfs/dbraw/zinc/00/42/65/1024004265.db2.gz MVYLKICSVNJBCZ-GOSISDBHSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)O1 ZINC000789306487 1024041615 /nfs/dbraw/zinc/04/16/15/1024041615.db2.gz OYADKLYAJXCICS-VQIMIIECSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(O)c1 ZINC000876915873 1033184822 /nfs/dbraw/zinc/18/48/22/1033184822.db2.gz ZONIZNAKVPQNML-AWEZNQCLSA-N 1 0 324.424 3.900 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c(O)c1 ZINC000876915859 1033181236 /nfs/dbraw/zinc/18/12/36/1033181236.db2.gz ZFORLXAGSXEZHT-UHFFFAOYSA-N 1 0 324.424 3.729 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000876914694 1033181308 /nfs/dbraw/zinc/18/13/08/1033181308.db2.gz GJWLJENYNRALFI-UHFFFAOYSA-N 1 0 324.424 3.729 20 10 DHCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789568140 1024116799 /nfs/dbraw/zinc/11/67/99/1024116799.db2.gz XAHHUWFNKWFIMH-FQEVSTJZSA-N 1 0 311.425 3.796 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(C)c2)c(O)c1OC ZINC000893569758 1024118870 /nfs/dbraw/zinc/11/88/70/1024118870.db2.gz RZFYHPYRBDFRRY-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c(O)c1 ZINC000876942266 1033189391 /nfs/dbraw/zinc/18/93/91/1033189391.db2.gz SOQDDXSGAYEDIQ-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268819476 1024169234 /nfs/dbraw/zinc/16/92/34/1024169234.db2.gz NJHRYXJVLYFOTO-IRXDYDNUSA-N 1 0 312.461 3.613 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)cc1 ZINC000268858288 1024180440 /nfs/dbraw/zinc/18/04/40/1024180440.db2.gz IWYRSBLVXODXJU-MRXNPFEDSA-N 1 0 322.456 3.950 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCCCC2)cc1 ZINC000268881654 1024187116 /nfs/dbraw/zinc/18/71/16/1024187116.db2.gz AXQDOKFMGLMLRB-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000130644085 1024194887 /nfs/dbraw/zinc/19/48/87/1024194887.db2.gz RQMIEJFQDIZJAO-JXFKEZNVSA-N 1 0 312.457 3.835 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)cccc1O)c1ccc2c(c1)OCCO2 ZINC000876956214 1033192726 /nfs/dbraw/zinc/19/27/26/1033192726.db2.gz GQCLVBMFODXZPI-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269003417 1024218043 /nfs/dbraw/zinc/21/80/43/1024218043.db2.gz PREMTUXPCWDRSB-LPHOPBHVSA-N 1 0 312.457 3.569 20 10 DHCDRO Cc1ccc(NCc2cc(F)cc(F)c2O)c(C[NH+](C)C)c1 ZINC000883065080 1024227754 /nfs/dbraw/zinc/22/77/54/1024227754.db2.gz YYVYFWCXJSAXJB-UHFFFAOYSA-N 1 0 306.356 3.653 20 10 DHCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269052595 1024228812 /nfs/dbraw/zinc/22/88/12/1024228812.db2.gz ZVRVRIGULKUUFI-CABCVRRESA-N 1 0 308.441 3.628 20 10 DHCDRO Cc1cc(C[NH+](C)C)cc(NCc2cc(F)cc(F)c2O)c1 ZINC000883076816 1024232160 /nfs/dbraw/zinc/23/21/60/1024232160.db2.gz NYEQYHUGRQLGDZ-UHFFFAOYSA-N 1 0 306.356 3.653 20 10 DHCDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000790698050 1024357043 /nfs/dbraw/zinc/35/70/43/1024357043.db2.gz MSQZKZOTGRSLGY-AWEZNQCLSA-N 1 0 308.853 3.793 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000883352683 1024397265 /nfs/dbraw/zinc/39/72/65/1024397265.db2.gz GHWGTHDTNHYOGM-RJZRQDKASA-N 1 0 307.409 3.874 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccnn2-c2ccccc2)cc1 ZINC000790901184 1024400719 /nfs/dbraw/zinc/40/07/19/1024400719.db2.gz KWNGUAMBSLOLDR-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989247 1024410864 /nfs/dbraw/zinc/41/08/64/1024410864.db2.gz AJUNFIXJMRVGNQ-UKRRQHHQSA-N 1 0 315.816 3.868 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000270666058 1024414691 /nfs/dbraw/zinc/41/46/91/1024414691.db2.gz VAKDNKQPVMBIOZ-KEYYUXOJSA-N 1 0 318.486 3.977 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c(O)c1 ZINC000790995115 1024415427 /nfs/dbraw/zinc/41/54/27/1024415427.db2.gz MGXJVERHJKJACO-QGZVFWFLSA-N 1 0 319.445 3.762 20 10 DHCDRO CC(=O)c1cc(F)cc(CN2CCc3sccc3[C@H]2C)c1O ZINC000314965562 1024418598 /nfs/dbraw/zinc/41/85/98/1024418598.db2.gz AIFOYVLLEHNDHH-SNVBAGLBSA-N 1 0 319.401 3.915 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000271219693 1024472361 /nfs/dbraw/zinc/47/23/61/1024472361.db2.gz ZKFUMGRMHIWETI-UHFFFAOYSA-N 1 0 312.461 3.636 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1O ZINC000132802919 1024508285 /nfs/dbraw/zinc/50/82/85/1024508285.db2.gz MUYCQLVRGSSQJJ-AEFFLSMTSA-N 1 0 310.441 3.707 20 10 DHCDRO COc1cccc(C[NH2+]CCCc2c[nH]c3ccccc23)c1O ZINC000107714262 1024626202 /nfs/dbraw/zinc/62/62/02/1024626202.db2.gz NIGXDFOKLFSRMY-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO Cc1c(C[NH2+][C@@H](C)c2cc(F)ccc2O)cccc1[N+](=O)[O-] ZINC000318230134 1024703270 /nfs/dbraw/zinc/70/32/70/1024703270.db2.gz HKIKZPBANBJRIH-NSHDSACASA-N 1 0 304.321 3.599 20 10 DHCDRO CCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877087185 1033237254 /nfs/dbraw/zinc/23/72/54/1033237254.db2.gz HLMZNFWNWHXUMN-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(F)cc2C)c1O ZINC000792711314 1024786274 /nfs/dbraw/zinc/78/62/74/1024786274.db2.gz IODFAUUCKIUSAS-UHFFFAOYSA-N 1 0 303.377 3.789 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000792932891 1024846979 /nfs/dbraw/zinc/84/69/79/1024846979.db2.gz FPVTYVOVCKTTGP-UHFFFAOYSA-N 1 0 300.368 3.917 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)c(O)c1 ZINC000040906229 1024858409 /nfs/dbraw/zinc/85/84/09/1024858409.db2.gz IKGTYGRBFYRKNR-GFCCVEGCSA-N 1 0 305.805 3.775 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC(F)(F)F)c(C(F)(F)F)c1 ZINC000792995071 1024860804 /nfs/dbraw/zinc/86/08/04/1024860804.db2.gz IZUNVMYRTKBJDA-UHFFFAOYSA-N 1 0 314.273 3.813 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1C ZINC000134787673 1033245231 /nfs/dbraw/zinc/24/52/31/1033245231.db2.gz GDRAVYHQAVHPBK-PLYYQAHHSA-N 1 0 301.430 3.617 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000893684597 1024943725 /nfs/dbraw/zinc/94/37/25/1024943725.db2.gz RLHTYYODRLNCGC-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000825935179 1033248355 /nfs/dbraw/zinc/24/83/55/1033248355.db2.gz OKRSLUPNGTWTES-SECBINFHSA-N 1 0 311.303 3.669 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793267202 1024966737 /nfs/dbraw/zinc/96/67/37/1024966737.db2.gz AQBYLKZNWCVSSD-HOCLYGCPSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000793347706 1025018693 /nfs/dbraw/zinc/01/86/93/1025018693.db2.gz WPGQEEBNBBSHJM-JKSUJKDBSA-N 1 0 302.462 3.690 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1O ZINC000229562336 1025063032 /nfs/dbraw/zinc/06/30/32/1025063032.db2.gz VLEYADJVQGIIPI-CMPLNLGQSA-N 1 0 316.264 3.701 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000793609667 1025130806 /nfs/dbraw/zinc/13/08/06/1025130806.db2.gz QYFIXSSLUXFPAN-RTBURBONSA-N 1 0 320.452 3.815 20 10 DHCDRO CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000793790760 1025163934 /nfs/dbraw/zinc/16/39/34/1025163934.db2.gz KWIXZUNPCFBVGI-AWEZNQCLSA-N 1 0 305.487 3.846 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000777130473 1033267915 /nfs/dbraw/zinc/26/79/15/1033267915.db2.gz SUQPBGYFDIPEJN-GJZGRUSLSA-N 1 0 302.462 3.688 20 10 DHCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1O ZINC001170451573 1025298935 /nfs/dbraw/zinc/29/89/35/1025298935.db2.gz ZFBQKWNYIHKMMT-MRXNPFEDSA-N 1 0 313.397 3.574 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)cc1O ZINC000279902780 1025311319 /nfs/dbraw/zinc/31/13/19/1025311319.db2.gz HERCZYIAQROITL-ZJUUUORDSA-N 1 0 316.264 3.558 20 10 DHCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877337016 1033286967 /nfs/dbraw/zinc/28/69/67/1033286967.db2.gz VXPWPLQLQYOAIP-GOSISDBHSA-N 1 0 316.489 3.802 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(C)cc1O ZINC000279932845 1025512702 /nfs/dbraw/zinc/51/27/02/1025512702.db2.gz ATDAEOZBTIOPHZ-RHSMWYFYSA-N 1 0 305.443 3.711 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877382145 1033292451 /nfs/dbraw/zinc/29/24/51/1033292451.db2.gz NIIZRIHEYFSYGR-CYBMUJFWSA-N 1 0 301.434 3.811 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1c([O-])cccc1F ZINC000886490062 1025650199 /nfs/dbraw/zinc/65/01/99/1025650199.db2.gz YMDFTIMDBZAAAP-WCQYABFASA-N 1 0 308.422 3.546 20 10 DHCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886522103 1025674441 /nfs/dbraw/zinc/67/44/41/1025674441.db2.gz CFJNBMWUYHOSQD-CQSZACIVSA-N 1 0 316.420 3.834 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806135470 1025782603 /nfs/dbraw/zinc/78/26/03/1025782603.db2.gz KPBIVDRIWCJWBI-CQSZACIVSA-N 1 0 319.811 3.717 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141071 1025799370 /nfs/dbraw/zinc/79/93/70/1025799370.db2.gz FOZIFMJCQJCUJV-XEZPLFJOSA-N 1 0 310.869 3.959 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000806179385 1025836507 /nfs/dbraw/zinc/83/65/07/1025836507.db2.gz CEXKOLXHFUZDFQ-YPMHNXCESA-N 1 0 323.795 3.611 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2OC)c(O)c1 ZINC000897484032 1025908828 /nfs/dbraw/zinc/90/88/28/1025908828.db2.gz ZKPAVOVUXLYRHD-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CC(C)(C)CCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000729678644 1025924010 /nfs/dbraw/zinc/92/40/10/1025924010.db2.gz COOHLJIDKJRTHS-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000237000181 1026031099 /nfs/dbraw/zinc/03/10/99/1026031099.db2.gz ICNIOYNCKUNFCY-SFHVURJKSA-N 1 0 304.478 3.829 20 10 DHCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090763110 1026084111 /nfs/dbraw/zinc/08/41/11/1026084111.db2.gz YNEOLQBPBBVMBF-QWHCGFSZSA-N 1 0 301.434 3.812 20 10 DHCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000093643818 1026119608 /nfs/dbraw/zinc/11/96/08/1026119608.db2.gz GCEYNGOCJYGTGA-FXAWDEMLSA-N 1 0 315.505 3.591 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000093769048 1026129130 /nfs/dbraw/zinc/12/91/30/1026129130.db2.gz HJIQAJRQSCZMRF-DYVFJYSZSA-N 1 0 303.427 3.724 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccccc1O ZINC000289743010 1026154763 /nfs/dbraw/zinc/15/47/63/1026154763.db2.gz KRBJCHDUIOWOSB-CMKODMSKSA-N 1 0 311.425 3.599 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1C(C)C ZINC000808191520 1026225196 /nfs/dbraw/zinc/22/51/96/1026225196.db2.gz MSIJMAXQWMIBTI-VQIMIIECSA-N 1 0 316.489 3.883 20 10 DHCDRO CN(C)c1ccccc1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000808235555 1026240577 /nfs/dbraw/zinc/24/05/77/1026240577.db2.gz UKJZSVQKOVZYPN-UHFFFAOYSA-N 1 0 321.424 3.638 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000279966063 1026284313 /nfs/dbraw/zinc/28/43/13/1026284313.db2.gz CPEUXQTYFXGRDB-INIZCTEOSA-N 1 0 300.358 3.850 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(OC(C)C)c2)c1O ZINC000894191929 1026342450 /nfs/dbraw/zinc/34/24/50/1026342450.db2.gz SJIPFSBUZZLIJJ-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c1O ZINC000808672158 1026352961 /nfs/dbraw/zinc/35/29/61/1026352961.db2.gz FJYRLOXRLLNOJE-WBMJQRKESA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1O ZINC000808675363 1026353203 /nfs/dbraw/zinc/35/32/03/1026353203.db2.gz DQORIXCLMYVXIP-ABAIWWIYSA-N 1 0 319.836 3.816 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1O ZINC000808674161 1026354413 /nfs/dbraw/zinc/35/44/13/1026354413.db2.gz OCBGGEGGHJCLQH-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808672497 1026354773 /nfs/dbraw/zinc/35/47/73/1026354773.db2.gz PJKRJSQHQFPWER-CQSZACIVSA-N 1 0 321.852 3.908 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCn2ccnc2)c1O ZINC000808679114 1026356083 /nfs/dbraw/zinc/35/60/83/1026356083.db2.gz CUKUHSOLJQZZSY-CYBMUJFWSA-N 1 0 307.825 3.682 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccncc2C)c1O ZINC000808708049 1026358571 /nfs/dbraw/zinc/35/85/71/1026358571.db2.gz FWGZHLBWYOLROE-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000808709437 1026359627 /nfs/dbraw/zinc/35/96/27/1026359627.db2.gz BDSJCDCJYVHRRH-GZMMTYOYSA-N 1 0 311.731 3.582 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808720968 1026367794 /nfs/dbraw/zinc/36/77/94/1026367794.db2.gz FOGIDAVNZWLGHQ-XPGWFJOJSA-N 1 0 312.457 3.915 20 10 DHCDRO CC[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000808728148 1026371742 /nfs/dbraw/zinc/37/17/42/1026371742.db2.gz CQKUONFIWOILON-ZBFHGGJFSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1O ZINC000808726396 1026371951 /nfs/dbraw/zinc/37/19/51/1026371951.db2.gz ANSCRZZLULXYNT-VXGBXAGGSA-N 1 0 303.789 3.872 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1O ZINC000808701421 1026375332 /nfs/dbraw/zinc/37/53/32/1026375332.db2.gz XIZNARYKZUTDOS-DZGCQCFKSA-N 1 0 319.832 3.781 20 10 DHCDRO Cc1ccc2c(CC[NH2+]Cc3ccc(N(C)C)cc3)c[nH]c2c1 ZINC000237124239 1026531964 /nfs/dbraw/zinc/53/19/64/1026531964.db2.gz WEOAMBPNHFRIJN-UHFFFAOYSA-N 1 0 307.441 3.875 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000809690226 1026585369 /nfs/dbraw/zinc/58/53/69/1026585369.db2.gz KUMXBJOLHFKAHV-UHFFFAOYSA-N 1 0 324.472 3.556 20 10 DHCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700201 1026587913 /nfs/dbraw/zinc/58/79/13/1026587913.db2.gz ACNVTONEKXUGKH-NEPJUHHUSA-N 1 0 315.816 3.700 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000809701177 1026588935 /nfs/dbraw/zinc/58/89/35/1026588935.db2.gz VESDYJMAEZVSNW-BBRMVZONSA-N 1 0 311.853 3.870 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000809701181 1026589460 /nfs/dbraw/zinc/58/94/60/1026589460.db2.gz VESDYJMAEZVSNW-XJKSGUPXSA-N 1 0 311.853 3.870 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C)cc1O ZINC000280099247 1026593404 /nfs/dbraw/zinc/59/34/04/1026593404.db2.gz MYTMSLWYHQGEJK-PKOBYXMFSA-N 1 0 313.441 3.908 20 10 DHCDRO CCC[N@H+](CCc1ccccn1)Cc1cc(OCC)ccc1O ZINC000809734448 1026597595 /nfs/dbraw/zinc/59/75/95/1026597595.db2.gz GVHXUWXPEKYSEC-UHFFFAOYSA-N 1 0 314.429 3.641 20 10 DHCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809702933 1026599987 /nfs/dbraw/zinc/59/99/87/1026599987.db2.gz KQAOZNGMESEDCY-HZMBPMFUSA-N 1 0 318.408 3.613 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)c1O ZINC000809740333 1026611214 /nfs/dbraw/zinc/61/12/14/1026611214.db2.gz UKCNZZNYDZXPPD-ZDUSSCGKSA-N 1 0 303.377 3.651 20 10 DHCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000809747647 1026612554 /nfs/dbraw/zinc/61/25/54/1026612554.db2.gz DQKOHHIFWNPZRW-NRFANRHFSA-N 1 0 324.468 3.890 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000809748423 1026614626 /nfs/dbraw/zinc/61/46/26/1026614626.db2.gz ROQDFBQSGNPJES-FQEVSTJZSA-N 1 0 312.457 3.746 20 10 DHCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809764950 1026621076 /nfs/dbraw/zinc/62/10/76/1026621076.db2.gz JUHLDRNRJNSKKS-QGZVFWFLSA-N 1 0 301.409 3.870 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(C)cc1O ZINC000280272611 1026624206 /nfs/dbraw/zinc/62/42/06/1026624206.db2.gz YAMXTIQYGNITLI-DGCLKSJQSA-N 1 0 305.340 3.709 20 10 DHCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000810097869 1026677755 /nfs/dbraw/zinc/67/77/55/1026677755.db2.gz NFICAXSVHOAERD-UHFFFAOYSA-N 1 0 322.452 3.809 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000810218420 1026708983 /nfs/dbraw/zinc/70/89/83/1026708983.db2.gz TVIIXCMDWIEPPE-IHRRRGAJSA-N 1 0 317.351 3.755 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218967 1026709594 /nfs/dbraw/zinc/70/95/94/1026709594.db2.gz YPPBODHCXIIOHB-ZFWWWQNUSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218479 1026710431 /nfs/dbraw/zinc/71/04/31/1026710431.db2.gz UMCLMPHHYORMEE-ZFWWWQNUSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccon1)c1ccc(C(F)(F)F)cc1O ZINC000810221273 1026711634 /nfs/dbraw/zinc/71/16/34/1026711634.db2.gz MZINUVNDHPCZPO-LBPRGKRZSA-N 1 0 300.280 3.640 20 10 DHCDRO CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228159 1026712899 /nfs/dbraw/zinc/71/28/99/1026712899.db2.gz COXLTDUHAHRKPC-BXUZGUMPSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810230883 1026715797 /nfs/dbraw/zinc/71/57/97/1026715797.db2.gz NEXZCRPQXOJOIJ-JOYOIKCWSA-N 1 0 305.340 3.611 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810234517 1026716978 /nfs/dbraw/zinc/71/69/78/1026716978.db2.gz FHGJQSLTNDPWBZ-CWSCBRNRSA-N 1 0 305.340 3.611 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810208442 1026719051 /nfs/dbraw/zinc/71/90/51/1026719051.db2.gz VHDHZGKDUFRBGR-WCQYABFASA-N 1 0 303.324 3.631 20 10 DHCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000810259881 1026720490 /nfs/dbraw/zinc/72/04/90/1026720490.db2.gz WDPGUFHXJJJACK-QAPCUYQASA-N 1 0 310.441 3.715 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810237788 1026725791 /nfs/dbraw/zinc/72/57/91/1026725791.db2.gz WFQLTLKXOSXLLB-ZPSXMKBBSA-N 1 0 317.351 3.779 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810238767 1026725829 /nfs/dbraw/zinc/72/58/29/1026725829.db2.gz MSCOHUPWMKBBFJ-UBHSHLNASA-N 1 0 317.351 3.611 20 10 DHCDRO CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810239869 1026726292 /nfs/dbraw/zinc/72/62/92/1026726292.db2.gz ITKYPGAXBJUIDJ-AWEZNQCLSA-N 1 0 315.335 3.798 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810240165 1026726450 /nfs/dbraw/zinc/72/64/50/1026726450.db2.gz PXSBGYIEJGUHGI-FZMZJTMJSA-N 1 0 319.367 3.716 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810245322 1026729297 /nfs/dbraw/zinc/72/92/97/1026729297.db2.gz YXUIZZPSDBOWNU-GZBFAFLISA-N 1 0 308.441 3.790 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810256836 1026731370 /nfs/dbraw/zinc/73/13/70/1026731370.db2.gz DTYXAGQORDIMQQ-RBSFLKMASA-N 1 0 308.441 3.890 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000810257217 1026731535 /nfs/dbraw/zinc/73/15/35/1026731535.db2.gz NMAAIOGYIREYSN-MXWKQRLJSA-N 1 0 316.239 3.537 20 10 DHCDRO CSC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000811453273 1027004299 /nfs/dbraw/zinc/00/42/99/1027004299.db2.gz IHGRWCMPPHQEIB-MRXNPFEDSA-N 1 0 321.486 3.659 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000894261905 1027026331 /nfs/dbraw/zinc/02/63/31/1027026331.db2.gz WGUQPWVAZSVLEB-RDTXWAMCSA-N 1 0 321.461 3.640 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C1CC1 ZINC000811513330 1027028705 /nfs/dbraw/zinc/02/87/05/1027028705.db2.gz GFWODFALIXUWDV-CQSZACIVSA-N 1 0 310.235 3.775 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000811513523 1027029589 /nfs/dbraw/zinc/02/95/89/1027029589.db2.gz JVEGUEIANKNWOH-MRXNPFEDSA-N 1 0 307.821 3.819 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170669969 1027214632 /nfs/dbraw/zinc/21/46/32/1027214632.db2.gz NZSXYURXVCVQOG-MRXNPFEDSA-N 1 0 316.395 3.678 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1O ZINC000894268208 1027238321 /nfs/dbraw/zinc/23/83/21/1027238321.db2.gz GVYPMWULEQXZFN-UHFFFAOYSA-N 1 0 320.458 3.807 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000812716111 1027374287 /nfs/dbraw/zinc/37/42/87/1027374287.db2.gz HTUYNXMMWNWUFN-HXUWFJFHSA-N 1 0 310.441 3.934 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)cc1C ZINC000747811674 1027382897 /nfs/dbraw/zinc/38/28/97/1027382897.db2.gz HFLKHLPRRXDVHR-UHFFFAOYSA-N 1 0 302.443 3.634 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000812775042 1027401064 /nfs/dbraw/zinc/40/10/64/1027401064.db2.gz CZAGEWXQNWTODL-UHFFFAOYSA-N 1 0 309.409 3.813 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C ZINC000812794928 1027422054 /nfs/dbraw/zinc/42/20/54/1027422054.db2.gz INYWSNCDQWFVQJ-UHFFFAOYSA-N 1 0 308.441 3.530 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000295773926 1027423873 /nfs/dbraw/zinc/42/38/73/1027423873.db2.gz AMFNPJODLAICPC-OAHLLOKOSA-N 1 0 313.397 3.577 20 10 DHCDRO CCCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000812837815 1027440370 /nfs/dbraw/zinc/44/03/70/1027440370.db2.gz IOUXIPZXCPMICD-UHFFFAOYSA-N 1 0 302.462 3.834 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)CC2 ZINC000296294647 1027599862 /nfs/dbraw/zinc/59/98/62/1027599862.db2.gz DGUVBNKTFJHZCY-LBPRGKRZSA-N 1 0 311.278 3.726 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C\c2ccccc2OC)c1 ZINC000813331778 1027608929 /nfs/dbraw/zinc/60/89/29/1027608929.db2.gz USNNRPNFEBXRHF-QPBFKRLHSA-N 1 0 313.397 3.773 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)CCc2ccco2)ccc1OC ZINC000747854987 1027644968 /nfs/dbraw/zinc/64/49/68/1027644968.db2.gz WMGUHZDODDBYAM-HNNXBMFYSA-N 1 0 317.429 3.936 20 10 DHCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296488227 1027651949 /nfs/dbraw/zinc/65/19/49/1027651949.db2.gz KWIOLTRXLZQFBQ-INIZCTEOSA-N 1 0 304.478 3.922 20 10 DHCDRO C[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000778985418 1027717486 /nfs/dbraw/zinc/71/74/86/1027717486.db2.gz SYRAMOQQLSUAKX-HOTGVXAUSA-N 1 0 315.413 3.803 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000159104154 1027723239 /nfs/dbraw/zinc/72/32/39/1027723239.db2.gz YZSFAVNRLRJBNL-GOEBONIOSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@H](N[C@@H]1CCc2cccc(O)c21)c1noc(-c2ccccc2)n1 ZINC000296986520 1027772300 /nfs/dbraw/zinc/77/23/00/1027772300.db2.gz SDGNWKQZRQXKCM-SWLSCSKDSA-N 1 0 321.380 3.780 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1Cl ZINC000297101076 1027796666 /nfs/dbraw/zinc/79/66/66/1027796666.db2.gz XRWYFAUGJMNVSO-AWEZNQCLSA-N 1 0 303.789 3.831 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]CC2COC2)c(O)c(C(C)(C)C)c1 ZINC000527818995 1027902155 /nfs/dbraw/zinc/90/21/55/1027902155.db2.gz WMYWVRASLIXHSA-UHFFFAOYSA-N 1 0 305.462 3.723 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000814169043 1027926435 /nfs/dbraw/zinc/92/64/35/1027926435.db2.gz CHKXDVAPCGPGPW-GXTWGEPZSA-N 1 0 301.764 3.831 20 10 DHCDRO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC000779033248 1027958161 /nfs/dbraw/zinc/95/81/61/1027958161.db2.gz PREKTVGRBKASIY-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365623108 1027987777 /nfs/dbraw/zinc/98/77/77/1027987777.db2.gz PQZXSOBAFFXADT-KBAYOESNSA-N 1 0 301.430 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1C ZINC000528001255 1028023847 /nfs/dbraw/zinc/02/38/47/1028023847.db2.gz MFKRAYZLOGOMEG-NVXWUHKLSA-N 1 0 302.462 3.677 20 10 DHCDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000527985748 1028041405 /nfs/dbraw/zinc/04/14/05/1028041405.db2.gz IMBHXBYEWNIVNM-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CC(C)(C)OC1CC([NH2+]CCCSc2nccs2)C1 ZINC000779068285 1028143983 /nfs/dbraw/zinc/14/39/83/1028143983.db2.gz YLFZRIHERQUYBD-UHFFFAOYSA-N 1 0 300.493 3.561 20 10 DHCDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)CCCC2 ZINC000159721271 1028188390 /nfs/dbraw/zinc/18/83/90/1028188390.db2.gz WVIZZXZFXNCLPK-UHFFFAOYSA-N 1 0 316.832 3.951 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000367574738 1028206540 /nfs/dbraw/zinc/20/65/40/1028206540.db2.gz IVSJGZZWEMSXLH-LDLUMPKVSA-N 1 0 317.360 3.713 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C=CCCCCC1 ZINC000815011731 1028326216 /nfs/dbraw/zinc/32/62/16/1028326216.db2.gz YDYYGMDKSMVSRD-LJQANCHMSA-N 1 0 314.473 3.844 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1F ZINC000815009406 1028326527 /nfs/dbraw/zinc/32/65/27/1028326527.db2.gz DRSATFIKGZEOTA-UHFFFAOYSA-N 1 0 316.420 3.841 20 10 DHCDRO Cc1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1N(C)C ZINC000815058539 1028343093 /nfs/dbraw/zinc/34/30/93/1028343093.db2.gz HWZGVMMUFFDYBH-NRFANRHFSA-N 1 0 324.468 3.543 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815083180 1028356228 /nfs/dbraw/zinc/35/62/28/1028356228.db2.gz KPVOODRRHOEKSL-UHFFFAOYSA-N 1 0 310.441 3.849 20 10 DHCDRO Cc1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)ccc1N(C)C ZINC000815085231 1028357164 /nfs/dbraw/zinc/35/71/64/1028357164.db2.gz OYNNXMYQVBVTMY-UHFFFAOYSA-N 1 0 324.424 3.569 20 10 DHCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000815147427 1028401540 /nfs/dbraw/zinc/40/15/40/1028401540.db2.gz AABDYKGHUUKXDC-HXUWFJFHSA-N 1 0 316.489 3.708 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000368795111 1028412134 /nfs/dbraw/zinc/41/21/34/1028412134.db2.gz DZCLNDOPFZVMGE-GOEBONIOSA-N 1 0 312.413 3.648 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000368798716 1028412225 /nfs/dbraw/zinc/41/22/25/1028412225.db2.gz SQCHVCQFJPKZAZ-QWHCGFSZSA-N 1 0 318.442 3.798 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3ccccc3C)CC2)c1 ZINC000216347989 1028419932 /nfs/dbraw/zinc/41/99/32/1028419932.db2.gz XPFOBHFGKYMTBI-UHFFFAOYSA-N 1 0 324.468 3.635 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c(O)c1 ZINC000815565861 1028546602 /nfs/dbraw/zinc/54/66/02/1028546602.db2.gz BVCNQEYKVMOQPO-HOTGVXAUSA-N 1 0 311.425 3.911 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000815563625 1028546655 /nfs/dbraw/zinc/54/66/55/1028546655.db2.gz JBAPCFLVNWALJF-IBGZPJMESA-N 1 0 314.473 3.726 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000815563626 1028546938 /nfs/dbraw/zinc/54/69/38/1028546938.db2.gz JBAPCFLVNWALJF-LJQANCHMSA-N 1 0 314.473 3.726 20 10 DHCDRO Cc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815582611 1028554389 /nfs/dbraw/zinc/55/43/89/1028554389.db2.gz LASLEUIYNWLHBD-LJQANCHMSA-N 1 0 321.424 3.887 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCSCC(F)(F)F)c(O)c1 ZINC000815599775 1028564586 /nfs/dbraw/zinc/56/45/86/1028564586.db2.gz AHUNQEAJFCPUAY-NSHDSACASA-N 1 0 307.381 3.955 20 10 DHCDRO CO[C@@H](CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815619481 1028571816 /nfs/dbraw/zinc/57/18/16/1028571816.db2.gz OQFNNSKZSVFGAL-AAEUAGOBSA-N 1 0 305.340 3.627 20 10 DHCDRO CO[C@H](CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815619483 1028572823 /nfs/dbraw/zinc/57/28/23/1028572823.db2.gz OQFNNSKZSVFGAL-WCQYABFASA-N 1 0 305.340 3.627 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000815619785 1028575114 /nfs/dbraw/zinc/57/51/14/1028575114.db2.gz XRTIZXBOGYKGFM-JKSUJKDBSA-N 1 0 315.461 3.833 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(Cl)ccc1O ZINC000815648000 1028591445 /nfs/dbraw/zinc/59/14/45/1028591445.db2.gz BHMQGQGJMCJRMQ-TZMCWYRMSA-N 1 0 311.853 3.885 20 10 DHCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000815651262 1028595185 /nfs/dbraw/zinc/59/51/85/1028595185.db2.gz ORRPYRGYVMPWBB-CYBMUJFWSA-N 1 0 307.397 3.537 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c(O)c1C ZINC000815648838 1028595486 /nfs/dbraw/zinc/59/54/86/1028595486.db2.gz YXMCTKDGMHXVQQ-RDJZCZTQSA-N 1 0 305.462 3.848 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000189563983 1028614027 /nfs/dbraw/zinc/61/40/27/1028614027.db2.gz NQOJCYMIUIPBAO-HNNXBMFYSA-N 1 0 313.445 3.787 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371326626 1028689557 /nfs/dbraw/zinc/68/95/57/1028689557.db2.gz JORIOCGVDQNCKM-RTBURBONSA-N 1 0 314.473 3.535 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1F ZINC000779218225 1028726400 /nfs/dbraw/zinc/72/64/00/1028726400.db2.gz WKHGGZOIWHTJDY-IBGZPJMESA-N 1 0 322.468 3.656 20 10 DHCDRO C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(F)ccc1O ZINC000371862068 1028766298 /nfs/dbraw/zinc/76/62/98/1028766298.db2.gz ASOOUWDLPYZBMD-ZDUSSCGKSA-N 1 0 307.409 3.921 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(O)c1C ZINC000371871202 1028769592 /nfs/dbraw/zinc/76/95/92/1028769592.db2.gz YILYHCCIDRFNNF-NZPGVSJUSA-N 1 0 303.446 3.863 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000372595044 1028874975 /nfs/dbraw/zinc/87/49/75/1028874975.db2.gz OVLKJTMUCCPYMP-MJGOQNOKSA-N 1 0 313.397 3.622 20 10 DHCDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1O ZINC000816482744 1028892902 /nfs/dbraw/zinc/89/29/02/1028892902.db2.gz RIRULDUVOYRIBD-UHFFFAOYSA-N 1 0 321.376 3.906 20 10 DHCDRO Oc1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816492902 1028895830 /nfs/dbraw/zinc/89/58/30/1028895830.db2.gz JBXUMVKEENPHHL-GOSISDBHSA-N 1 0 310.441 3.606 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494030 1028896095 /nfs/dbraw/zinc/89/60/95/1028896095.db2.gz WHUNXKXVILYCGX-INIZCTEOSA-N 1 0 307.397 3.648 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(OC)c1 ZINC000816536361 1028921660 /nfs/dbraw/zinc/92/16/60/1028921660.db2.gz SXTNFIQATRITNM-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC1 ZINC000816534841 1028923977 /nfs/dbraw/zinc/92/39/77/1028923977.db2.gz WJOKLMODRNTFTM-IBGZPJMESA-N 1 0 312.457 3.755 20 10 DHCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816548286 1028930226 /nfs/dbraw/zinc/93/02/26/1028930226.db2.gz BZOXBOSGSLZXTD-UHFFFAOYSA-N 1 0 322.364 3.786 20 10 DHCDRO C[NH+](C)CCc1ccccc1NCc1cc(Cl)c(F)cc1O ZINC000816586703 1028937825 /nfs/dbraw/zinc/93/78/25/1028937825.db2.gz PZSSTBNDRRUILR-UHFFFAOYSA-N 1 0 322.811 3.901 20 10 DHCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816588082 1028938540 /nfs/dbraw/zinc/93/85/40/1028938540.db2.gz FNJMSCDHRUUXIY-LJQANCHMSA-N 1 0 321.420 3.547 20 10 DHCDRO Oc1c(C[NH2+]Cc2ccc3c(c2)COC3)ccc2ccccc21 ZINC000816557670 1028940900 /nfs/dbraw/zinc/94/09/00/1028940900.db2.gz XOPIGBNZRYBMHY-UHFFFAOYSA-N 1 0 305.377 3.865 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559264 1028945218 /nfs/dbraw/zinc/94/52/18/1028945218.db2.gz CSBHSAWMQNWVLS-SUMWQHHRSA-N 1 0 311.381 3.740 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccccc1)OCO2 ZINC000816630364 1028951869 /nfs/dbraw/zinc/95/18/69/1028951869.db2.gz BLAIDKDDBGXDNJ-LJQANCHMSA-N 1 0 323.392 3.848 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000816642594 1028969883 /nfs/dbraw/zinc/96/98/83/1028969883.db2.gz DYSZZHWLOJBZBZ-OAHLLOKOSA-N 1 0 317.351 3.632 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1O ZINC000816651038 1028976672 /nfs/dbraw/zinc/97/66/72/1028976672.db2.gz PPQNWDBOSWXRFH-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1c(O)ccc2ccccc21 ZINC000373882191 1029161230 /nfs/dbraw/zinc/16/12/30/1029161230.db2.gz OQHKJAYNFUIMRN-UHFFFAOYSA-N 1 0 321.424 3.710 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000155231041 1029205144 /nfs/dbraw/zinc/20/51/44/1029205144.db2.gz KLHCMJVSJJZMAF-QZTJIDSGSA-N 1 0 316.420 3.875 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000817585208 1029214161 /nfs/dbraw/zinc/21/41/61/1029214161.db2.gz CQGZBSXPHXWICI-IAOVAPTHSA-N 1 0 303.446 3.879 20 10 DHCDRO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000817587413 1029214540 /nfs/dbraw/zinc/21/45/40/1029214540.db2.gz WKYNLZOBRAJWAQ-ZUEPYMLJSA-N 1 0 310.869 3.959 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc(C)n1 ZINC000817588404 1029218250 /nfs/dbraw/zinc/21/82/50/1029218250.db2.gz FEDNSTRIIHOWEW-BONVTDFDSA-N 1 0 300.377 3.881 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1O ZINC000155327580 1029224837 /nfs/dbraw/zinc/22/48/37/1029224837.db2.gz MTEJGFPJNWGKAL-OAHLLOKOSA-N 1 0 309.413 3.942 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000191011513 1029250140 /nfs/dbraw/zinc/25/01/40/1029250140.db2.gz GETIQMDASVLTAH-HOCLYGCPSA-N 1 0 319.445 3.933 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817938346 1029281891 /nfs/dbraw/zinc/28/18/91/1029281891.db2.gz JEENDUJWLWOCOT-OXJNMPFZSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000817939019 1029281987 /nfs/dbraw/zinc/28/19/87/1029281987.db2.gz XPOYKPQSCXNHRE-UGSOOPFHSA-N 1 0 317.864 3.757 20 10 DHCDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1C ZINC000817941097 1029284293 /nfs/dbraw/zinc/28/42/93/1029284293.db2.gz IUXTZEBIDQFUDN-OXJNMPFZSA-N 1 0 311.473 3.720 20 10 DHCDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccc(N)cc3)oc21 ZINC000817955903 1029293319 /nfs/dbraw/zinc/29/33/19/1029293319.db2.gz KTIWXQORUHHICM-CYBMUJFWSA-N 1 0 310.397 3.917 20 10 DHCDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCc1ccc(N)cc1 ZINC000817956718 1029297112 /nfs/dbraw/zinc/29/71/12/1029297112.db2.gz BBWWJLXQNUOCBC-ZDUSSCGKSA-N 1 0 304.384 3.700 20 10 DHCDRO CC(C)[C@@H](COCc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817957423 1029297206 /nfs/dbraw/zinc/29/72/06/1029297206.db2.gz MDRNGULNCDFWNY-HXUWFJFHSA-N 1 0 312.457 3.642 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958639 1029298479 /nfs/dbraw/zinc/29/84/79/1029298479.db2.gz KZDPVZQWLNRLMD-OLZOCXBDSA-N 1 0 305.249 3.723 20 10 DHCDRO CCC[NH2+]CCN[C@H](CCc1ccccc1)c1ccccc1O ZINC000817963248 1029299366 /nfs/dbraw/zinc/29/93/66/1029299366.db2.gz SUJBRQNSPJYEDG-LJQANCHMSA-N 1 0 312.457 3.655 20 10 DHCDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959433 1029299682 /nfs/dbraw/zinc/29/96/82/1029299682.db2.gz RGVDXZSNKKNOBE-LPHOPBHVSA-N 1 0 303.494 3.701 20 10 DHCDRO CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965453 1029304506 /nfs/dbraw/zinc/30/45/06/1029304506.db2.gz VBGRGASKEILZJH-LLVKDONJSA-N 1 0 303.233 3.621 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1[O-] ZINC000817968772 1029306291 /nfs/dbraw/zinc/30/62/91/1029306291.db2.gz MFRQTWYDMUIYPW-QGZVFWFLSA-N 1 0 316.832 3.890 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972378 1029310983 /nfs/dbraw/zinc/31/09/83/1029310983.db2.gz WKRHKOLAPGQWOT-PXWWUCIGSA-N 1 0 317.260 3.880 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Cl)ccc1O ZINC000817974696 1029315061 /nfs/dbraw/zinc/31/50/61/1029315061.db2.gz NRGPHVOKPWTMPL-YVEFUNNKSA-N 1 0 316.832 3.583 20 10 DHCDRO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817979447 1029316371 /nfs/dbraw/zinc/31/63/71/1029316371.db2.gz BCYXTKZRRCYAGM-RYUDHWBXSA-N 1 0 316.367 3.594 20 10 DHCDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817984688 1029321044 /nfs/dbraw/zinc/32/10/44/1029321044.db2.gz XIVLLFMNPARUSL-WBVHZDCISA-N 1 0 319.468 3.609 20 10 DHCDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817984685 1029321285 /nfs/dbraw/zinc/32/12/85/1029321285.db2.gz XIVLLFMNPARUSL-DOTOQJQBSA-N 1 0 319.468 3.609 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C/C=C/c3ccccc3)C2)cc1 ZINC000818221826 1029355418 /nfs/dbraw/zinc/35/54/18/1029355418.db2.gz UNAFGAIPXGHLSW-MEQKGCOVSA-N 1 0 322.452 3.825 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H](C)C3)C2)cc1 ZINC000818220871 1029356890 /nfs/dbraw/zinc/35/68/90/1029356890.db2.gz NNJQQQFCCKUXGO-GVDBMIGSSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3C)C2)cc1 ZINC000818220531 1029357254 /nfs/dbraw/zinc/35/72/54/1029357254.db2.gz LJWAUPZWDREXET-KRWDZBQOSA-N 1 0 310.441 3.620 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)s3)C2)cc1 ZINC000818222353 1029357603 /nfs/dbraw/zinc/35/76/03/1029357603.db2.gz XUFDZBINHUJMSN-HNNXBMFYSA-N 1 0 316.470 3.681 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231491 1029358119 /nfs/dbraw/zinc/35/81/19/1029358119.db2.gz XLBMUAQSVUWFOL-SJLPKXTDSA-N 1 0 301.361 3.518 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000818341987 1029372613 /nfs/dbraw/zinc/37/26/13/1029372613.db2.gz JVKOKHNFZCJRSU-KXBFYZLASA-N 1 0 302.462 3.690 20 10 DHCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341717 1029373705 /nfs/dbraw/zinc/37/37/05/1029373705.db2.gz DRVWLNUJDHUEJX-HOTGVXAUSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC3CCC3)C2)cc1 ZINC000818342992 1029376270 /nfs/dbraw/zinc/37/62/70/1029376270.db2.gz XNNHEBKUHAIDFV-RDJZCZTQSA-N 1 0 302.462 3.690 20 10 DHCDRO Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccoc2)c1 ZINC000781897059 1029436196 /nfs/dbraw/zinc/43/61/96/1029436196.db2.gz CDMKBKYRSICYTM-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO Cc1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000374893471 1029489645 /nfs/dbraw/zinc/48/96/45/1029489645.db2.gz JGMQLEZSNNDDDM-LBPRGKRZSA-N 1 0 306.406 3.676 20 10 DHCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000805749854 1029739161 /nfs/dbraw/zinc/73/91/61/1029739161.db2.gz BCXKWEYMXYDQQP-HNNXBMFYSA-N 1 0 320.477 3.773 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cccc(OC)c1O)c1ccc(F)cc1 ZINC000865659597 1029965985 /nfs/dbraw/zinc/96/59/85/1029965985.db2.gz CSRZDDLLNILJBF-GOSISDBHSA-N 1 0 303.377 3.955 20 10 DHCDRO Cc1ncc([C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000865703103 1029982230 /nfs/dbraw/zinc/98/22/30/1029982230.db2.gz ULQXJRHXOJCESN-CFHLNLSMSA-N 1 0 301.459 3.882 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865759995 1030009720 /nfs/dbraw/zinc/00/97/20/1030009720.db2.gz WZJTXFJCEPKMDD-LJGXYGFNSA-N 1 0 314.473 3.561 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865759996 1030010490 /nfs/dbraw/zinc/01/04/90/1030010490.db2.gz WZJTXFJCEPKMDD-SRXMEYSWSA-N 1 0 314.473 3.561 20 10 DHCDRO CC(C)n1cncc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822442269 1030023213 /nfs/dbraw/zinc/02/32/13/1030023213.db2.gz BBIWDQZXCSIURO-UHFFFAOYSA-N 1 0 312.461 3.695 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](C)c3ccccc3)C2)cc1 ZINC000822494453 1030027571 /nfs/dbraw/zinc/02/75/71/1030027571.db2.gz OXTTWOLLSLVJSE-ROUUACIJSA-N 1 0 324.468 3.915 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](C)c3ccccc3)C2)cc1 ZINC000822494451 1030029148 /nfs/dbraw/zinc/02/91/48/1030029148.db2.gz OXTTWOLLSLVJSE-MSOLQXFVSA-N 1 0 324.468 3.915 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865820880 1030042206 /nfs/dbraw/zinc/04/22/06/1030042206.db2.gz GJTCLBSFVZDQOO-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c(O)c1 ZINC000865853315 1030062782 /nfs/dbraw/zinc/06/27/82/1030062782.db2.gz FXKSEADSRFTCIH-LBPRGKRZSA-N 1 0 312.369 3.783 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2cccnc2)c1 ZINC000290557551 1030106409 /nfs/dbraw/zinc/10/64/09/1030106409.db2.gz SCZDJKABHPOSEJ-AWEZNQCLSA-N 1 0 300.402 3.769 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924572451 1030126463 /nfs/dbraw/zinc/12/64/63/1030126463.db2.gz CHFWSGQHZBKZLR-HNNXBMFYSA-N 1 0 312.457 3.831 20 10 DHCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCSc1nccs1 ZINC000925100706 1030272723 /nfs/dbraw/zinc/27/27/23/1030272723.db2.gz DOSQHEIDHFBTDM-OCCSQVGLSA-N 1 0 302.509 3.545 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2CCOC23CCCCC3)n1 ZINC000925104298 1030275303 /nfs/dbraw/zinc/27/53/03/1030275303.db2.gz XGJYUHSFEDGSPR-CYBMUJFWSA-N 1 0 312.504 3.707 20 10 DHCDRO CC(C)[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823386968 1030275426 /nfs/dbraw/zinc/27/54/26/1030275426.db2.gz RGPDOVPCPCURSH-UHFFFAOYSA-N 1 0 318.486 3.587 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866410753 1030286185 /nfs/dbraw/zinc/28/61/85/1030286185.db2.gz RKDQPGBLVZEQGU-KDOFPFPSSA-N 1 0 318.436 3.646 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000866480393 1030319582 /nfs/dbraw/zinc/31/95/82/1030319582.db2.gz CREKPGFZOIHLBV-RDTXWAMCSA-N 1 0 319.445 3.791 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000866512733 1030338288 /nfs/dbraw/zinc/33/82/88/1030338288.db2.gz OKRXSVOOTBDYCX-UJFVYYJSSA-N 1 0 319.420 3.874 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1 ZINC000866531966 1030351922 /nfs/dbraw/zinc/35/19/22/1030351922.db2.gz SYWGYNDAYWWBMY-HOTGVXAUSA-N 1 0 303.446 3.866 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1C ZINC000866537800 1030357169 /nfs/dbraw/zinc/35/71/69/1030357169.db2.gz JIGLUUXBYQUBCF-HFTRVMKXSA-N 1 0 303.446 3.722 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000866541376 1030362731 /nfs/dbraw/zinc/36/27/31/1030362731.db2.gz ZUKWVQFRZMWRIR-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000823702558 1030368456 /nfs/dbraw/zinc/36/84/56/1030368456.db2.gz PYLRYHWIJRQHTI-FQEVSTJZSA-N 1 0 316.489 3.564 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1 ZINC000866568459 1030383339 /nfs/dbraw/zinc/38/33/39/1030383339.db2.gz VMUZFDBXZPQDBR-NSHDSACASA-N 1 0 309.360 3.531 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000823729399 1030385707 /nfs/dbraw/zinc/38/57/07/1030385707.db2.gz FQUBPJBUMVSGDZ-OAHLLOKOSA-N 1 0 316.470 3.744 20 10 DHCDRO Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000823753609 1030386676 /nfs/dbraw/zinc/38/66/76/1030386676.db2.gz XQRIYQCCXIDARR-AWEZNQCLSA-N 1 0 319.326 3.816 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3csc(C)c3)CC2)cc1 ZINC000823757100 1030391608 /nfs/dbraw/zinc/39/16/08/1030391608.db2.gz GHFRYLLHZCQSLY-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@](O)(CC)CCC(F)(F)F)c1O ZINC000897519716 1030411049 /nfs/dbraw/zinc/41/10/49/1030411049.db2.gz VCPOFTZZYAETKA-HNNXBMFYSA-N 1 0 319.367 3.528 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C(C)(C)CCO)cc1 ZINC000823876320 1030423302 /nfs/dbraw/zinc/42/33/02/1030423302.db2.gz MXKJWGQBTDZNDN-UHFFFAOYSA-N 1 0 318.486 3.635 20 10 DHCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824018879 1030463562 /nfs/dbraw/zinc/46/35/62/1030463562.db2.gz YPACPKKXYVCOAM-QGZVFWFLSA-N 1 0 318.486 3.635 20 10 DHCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824142149 1030480896 /nfs/dbraw/zinc/48/08/96/1030480896.db2.gz KOKPTHPPYAJUCT-GJZGRUSLSA-N 1 0 318.486 3.634 20 10 DHCDRO CC[C@@H](c1ccc(C)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755199 1030482515 /nfs/dbraw/zinc/48/25/15/1030482515.db2.gz UTRBQJZBEGONOZ-KRWDZBQOSA-N 1 0 312.413 3.629 20 10 DHCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000121884440 1030492940 /nfs/dbraw/zinc/49/29/40/1030492940.db2.gz RDZNXEMAVVMAPX-INIZCTEOSA-N 1 0 304.478 3.879 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC(C)(C)O)cc1 ZINC000824202378 1030495502 /nfs/dbraw/zinc/49/55/02/1030495502.db2.gz KDIZNMQQHOKUBM-UHFFFAOYSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)Cc2coc3ccccc23)c1O ZINC000824383077 1030544782 /nfs/dbraw/zinc/54/47/82/1030544782.db2.gz KJKUNPUZPNCSDI-CYBMUJFWSA-N 1 0 311.381 3.868 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000824468040 1030566497 /nfs/dbraw/zinc/56/64/97/1030566497.db2.gz ASOKLOXVZNFUIK-MRXNPFEDSA-N 1 0 301.361 3.707 20 10 DHCDRO CC[N@H+](Cc1cnc2cc(C)ccn12)Cc1ccc(N(C)C)cc1 ZINC001136893137 1030577222 /nfs/dbraw/zinc/57/72/22/1030577222.db2.gz ZCWCSLKFWKJHRA-UHFFFAOYSA-N 1 0 322.456 3.731 20 10 DHCDRO Cc1cc(O)c(CN(C)Cc2nccn2C(F)F)cc1Cl ZINC000824567454 1030582949 /nfs/dbraw/zinc/58/29/49/1030582949.db2.gz TXXZSTFXSYNDBH-UHFFFAOYSA-N 1 0 315.751 3.578 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1OC ZINC000824548320 1030588066 /nfs/dbraw/zinc/58/80/66/1030588066.db2.gz FROQRGNFIIHIEA-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824799394 1030641922 /nfs/dbraw/zinc/64/19/22/1030641922.db2.gz NFFMPOKBATZOGM-SUNYJGFJSA-N 1 0 307.434 3.503 20 10 DHCDRO Oc1cccc2c1C[N@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136940817 1030652054 /nfs/dbraw/zinc/65/20/54/1030652054.db2.gz QZTMQRCUBPRREC-UHFFFAOYSA-N 1 0 319.351 3.594 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000824895339 1030660946 /nfs/dbraw/zinc/66/09/46/1030660946.db2.gz UQOYSPBLWMWVQO-AWEZNQCLSA-N 1 0 309.837 3.603 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246907449 1030660860 /nfs/dbraw/zinc/66/08/60/1030660860.db2.gz UOMRTWQXMMFPHH-DOTOQJQBSA-N 1 0 317.454 3.850 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000824954465 1030679745 /nfs/dbraw/zinc/67/97/45/1030679745.db2.gz QLMSNDNWIZJVEH-AYBZRNKSSA-N 1 0 312.413 3.748 20 10 DHCDRO Cc1ccc2c(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)c[nH]c2c1 ZINC001136975521 1030685697 /nfs/dbraw/zinc/68/56/97/1030685697.db2.gz KHHDFBNKLORFHT-UHFFFAOYSA-N 1 0 322.408 3.836 20 10 DHCDRO CC[C@H]([NH2+]CC1(CC)COC1)c1ccc(C(F)(F)F)cc1O ZINC000825079103 1030721330 /nfs/dbraw/zinc/72/13/30/1030721330.db2.gz LPWDAZACOQQQQS-ZDUSSCGKSA-N 1 0 317.351 3.878 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1OCCc2sccc21 ZINC000292011656 1030754290 /nfs/dbraw/zinc/75/42/90/1030754290.db2.gz YUUMNXDAHMADOA-RVPKQNPDSA-N 1 0 321.417 3.946 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825252876 1030758539 /nfs/dbraw/zinc/75/85/39/1030758539.db2.gz AFAACCXWKCTNOM-AZUAARDMSA-N 1 0 314.473 3.580 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000825245105 1030758858 /nfs/dbraw/zinc/75/88/58/1030758858.db2.gz FHLPCFYJLSHUAA-UKRRQHHQSA-N 1 0 317.351 3.613 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CCCO)c2ccccc2)cc1Cl ZINC000825297299 1030768799 /nfs/dbraw/zinc/76/87/99/1030768799.db2.gz AHPOEIJKVRVXDZ-KRWDZBQOSA-N 1 0 319.832 3.957 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926594940 1030814518 /nfs/dbraw/zinc/81/45/18/1030814518.db2.gz FNSIRGAUHOZDBX-MQFISKJYSA-N 1 0 316.489 3.539 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2O ZINC000926915416 1030985712 /nfs/dbraw/zinc/98/57/12/1030985712.db2.gz GNGPLMBIUHOACP-KMXJZHQMSA-N 1 0 305.393 3.628 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cc(F)ccc1O ZINC000926918927 1030991625 /nfs/dbraw/zinc/99/16/25/1030991625.db2.gz JVUWNQHPSKGCQO-NEPJUHHUSA-N 1 0 301.361 3.706 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000926918160 1030992357 /nfs/dbraw/zinc/99/23/57/1030992357.db2.gz CZKXDCFOMVZGPO-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc2ccccc2c1O ZINC000926937640 1031006108 /nfs/dbraw/zinc/00/61/08/1031006108.db2.gz QPFPOCATTQFBLP-LLLHUVSDSA-N 1 0 309.409 3.787 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(C)cc1O ZINC000926960344 1031018942 /nfs/dbraw/zinc/01/89/42/1031018942.db2.gz FMCMECFMADWRJM-HIFRSBDPSA-N 1 0 318.383 3.624 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000927067224 1031064597 /nfs/dbraw/zinc/06/45/97/1031064597.db2.gz DOIOOFUFJOUDNF-VZSAFFHGSA-N 1 0 317.408 3.800 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000927070273 1031071215 /nfs/dbraw/zinc/07/12/15/1031071215.db2.gz RGVQNEYJZAEIAP-UJFVYYJSSA-N 1 0 319.420 3.874 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2O ZINC000927090178 1031082316 /nfs/dbraw/zinc/08/23/16/1031082316.db2.gz JJCSLEJIUVHMLJ-ABAIWWIYSA-N 1 0 313.372 3.804 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1O ZINC000927158186 1031124024 /nfs/dbraw/zinc/12/40/24/1031124024.db2.gz SQISLNYRMOATGS-POAQFYNOSA-N 1 0 311.425 3.526 20 10 DHCDRO CCOC(C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)OCC ZINC000123654924 1031226758 /nfs/dbraw/zinc/22/67/58/1031226758.db2.gz CTVCKQJCDFNZTF-UHFFFAOYSA-N 1 0 320.477 3.508 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872036019 1031419503 /nfs/dbraw/zinc/41/95/03/1031419503.db2.gz RNYTXZRXZBDYSQ-ZDUSSCGKSA-N 1 0 302.393 3.757 20 10 DHCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872038257 1031421457 /nfs/dbraw/zinc/42/14/57/1031421457.db2.gz MBSANKIAOZHRAX-QWHCGFSZSA-N 1 0 314.520 3.809 20 10 DHCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000293557748 1031519414 /nfs/dbraw/zinc/51/94/14/1031519414.db2.gz LXTSIEMTFGRHJI-UHFFFAOYSA-N 1 0 301.434 3.691 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccccc1O ZINC000360698634 1031525323 /nfs/dbraw/zinc/52/53/23/1031525323.db2.gz LRKDVFWHTGQTNA-AWEZNQCLSA-N 1 0 307.397 3.644 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134009 1031529015 /nfs/dbraw/zinc/52/90/15/1031529015.db2.gz QDLQRZKDCDMRCV-JSGCOSHPSA-N 1 0 311.429 3.781 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccccc1O ZINC000360709353 1031531027 /nfs/dbraw/zinc/53/10/27/1031531027.db2.gz CJEWONZNIJAEOX-DCPHZVHLSA-N 1 0 310.441 3.661 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260406 1031565812 /nfs/dbraw/zinc/56/58/12/1031565812.db2.gz PSMDERGAMPMJSU-MRXNPFEDSA-N 1 0 309.837 3.969 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000293696441 1031576477 /nfs/dbraw/zinc/57/64/77/1031576477.db2.gz LPWDEWMUDASGMM-KRWDZBQOSA-N 1 0 301.434 3.852 20 10 DHCDRO CC(C)(C)[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144500296 1031645922 /nfs/dbraw/zinc/64/59/22/1031645922.db2.gz QTDKQCYLULIRGV-UHFFFAOYSA-N 1 0 301.386 3.604 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c(O)c1 ZINC001144509275 1031665088 /nfs/dbraw/zinc/66/50/88/1031665088.db2.gz RMPCDXYOYCJWLG-OAHLLOKOSA-N 1 0 319.788 3.794 20 10 DHCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(C)c(C)cc1O)CC2 ZINC000872811685 1031666576 /nfs/dbraw/zinc/66/65/76/1031666576.db2.gz OELAUYJNGVXBPL-UHFFFAOYSA-N 1 0 324.424 3.526 20 10 DHCDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514556 1031671993 /nfs/dbraw/zinc/67/19/93/1031671993.db2.gz KLHLRUPQXBPLTO-JTQLQIEISA-N 1 0 307.777 3.650 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C(C)(F)F)cc2)c1 ZINC000293894679 1031683704 /nfs/dbraw/zinc/68/37/04/1031683704.db2.gz KPWVGSUZUXZPCM-UHFFFAOYSA-N 1 0 307.340 3.802 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@H](C)c3c(C)cc(C)cc3O)nc2c1 ZINC000293919101 1031696263 /nfs/dbraw/zinc/69/62/63/1031696263.db2.gz XHBUJGLOWBJHEL-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3c(C)cc(C)cc3O)nc2c1 ZINC000293919081 1031696833 /nfs/dbraw/zinc/69/68/33/1031696833.db2.gz XHBUJGLOWBJHEL-HNNXBMFYSA-N 1 0 309.413 3.816 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1C ZINC000873123549 1031718404 /nfs/dbraw/zinc/71/84/04/1031718404.db2.gz HDIHUKYRAVRZNZ-UHFFFAOYSA-N 1 0 313.445 3.606 20 10 DHCDRO CCCOc1ccc(C[NH2+]CC2(CF)CCOCC2)cc1C ZINC000873130701 1031719649 /nfs/dbraw/zinc/71/96/49/1031719649.db2.gz GILGDXBTANZDRP-UHFFFAOYSA-N 1 0 309.425 3.640 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2C)c(O)c1OC ZINC000897624619 1031747270 /nfs/dbraw/zinc/74/72/70/1031747270.db2.gz RRWQAXDROIYFPP-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000873288804 1031790069 /nfs/dbraw/zinc/79/00/69/1031790069.db2.gz LUDRZPVNPGAXPM-SFHVURJKSA-N 1 0 301.409 3.715 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccccc1O ZINC000845992273 1031796024 /nfs/dbraw/zinc/79/60/24/1031796024.db2.gz HYRXFAOIJYZIGS-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO CCCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1C ZINC000846059005 1031817474 /nfs/dbraw/zinc/81/74/74/1031817474.db2.gz WUNNJPWEVQLKKV-UHFFFAOYSA-N 1 0 307.825 3.559 20 10 DHCDRO CCOCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000846056668 1031818780 /nfs/dbraw/zinc/81/87/80/1031818780.db2.gz WHPYKENSHWJVTJ-UHFFFAOYSA-N 1 0 321.804 3.708 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846044924 1031838508 /nfs/dbraw/zinc/83/85/08/1031838508.db2.gz UDHMZHLHBFHTOP-XQQSMPNESA-N 1 0 314.473 3.561 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3c2cccc3Cl)c1O ZINC000846154812 1031885728 /nfs/dbraw/zinc/88/57/28/1031885728.db2.gz TYPHSODYMQWCDR-HZMBPMFUSA-N 1 0 319.788 3.839 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158421 1031888796 /nfs/dbraw/zinc/88/87/96/1031888796.db2.gz YGPGLSBFCCMPLN-HZMBPMFUSA-N 1 0 304.390 3.808 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)c1O ZINC000846161060 1031890160 /nfs/dbraw/zinc/89/01/60/1031890160.db2.gz ARQKRACQKDNTMT-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000846165892 1031894936 /nfs/dbraw/zinc/89/49/36/1031894936.db2.gz PFKJMSOBYFBRCR-XHDPSFHLSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)sc32)c1O ZINC000846165120 1031895447 /nfs/dbraw/zinc/89/54/47/1031895447.db2.gz MUTOECRYFDTABV-ZWNOBZJWSA-N 1 0 318.442 3.894 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000846169686 1031897863 /nfs/dbraw/zinc/89/78/63/1031897863.db2.gz KAOONCRXSCVFJV-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000846172072 1031898320 /nfs/dbraw/zinc/89/83/20/1031898320.db2.gz WISNZXZEJKRAQG-VIFPVBQESA-N 1 0 311.303 3.669 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2ccccc2F)c1O ZINC000846139712 1031901182 /nfs/dbraw/zinc/90/11/82/1031901182.db2.gz SHMXXHWMXLLGOP-ZDUSSCGKSA-N 1 0 319.376 3.660 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)c2ccccc2)c1O ZINC000846140172 1031901386 /nfs/dbraw/zinc/90/13/86/1031901386.db2.gz IBAJFGFUDCCFOM-LSDHHAIUSA-N 1 0 314.429 3.576 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)c1O ZINC000846142589 1031904001 /nfs/dbraw/zinc/90/40/01/1031904001.db2.gz FNYZGFBHXGIPHS-LSDHHAIUSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c1O ZINC000846141323 1031904209 /nfs/dbraw/zinc/90/42/09/1031904209.db2.gz MSFNLZHRZRZPKQ-RHSMWYFYSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCCc2nc(C)cs2)c1O ZINC000846145250 1031906951 /nfs/dbraw/zinc/90/69/51/1031906951.db2.gz MKUZGZUQVWMZFK-CYBMUJFWSA-N 1 0 320.458 3.839 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)c1O ZINC000846144448 1031907155 /nfs/dbraw/zinc/90/71/55/1031907155.db2.gz DKODIWFOAXHXJK-KEYYUXOJSA-N 1 0 315.413 3.564 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1O ZINC000846145120 1031907774 /nfs/dbraw/zinc/90/77/74/1031907774.db2.gz MXYNNDJHPOXRMM-PBHICJAKSA-N 1 0 315.413 3.565 20 10 DHCDRO Oc1c(C[NH+]2CCC([NH2+]C3CCC3)CC2)ccc2ccccc21 ZINC000897983033 1031910458 /nfs/dbraw/zinc/91/04/58/1031910458.db2.gz WDEBWHIOPVEKGA-UHFFFAOYSA-N 1 0 310.441 3.652 20 10 DHCDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000846205893 1031911071 /nfs/dbraw/zinc/91/10/71/1031911071.db2.gz TWMOBWNDNIMVMD-KGLIPLIRSA-N 1 0 303.446 3.737 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846146488 1031911210 /nfs/dbraw/zinc/91/12/10/1031911210.db2.gz QYHXNAWWTPDXMQ-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187718 1031922228 /nfs/dbraw/zinc/92/22/28/1031922228.db2.gz MFERGRXLLPHWAN-VQTJNVASSA-N 1 0 316.489 3.999 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c(O)c1C ZINC000846191188 1031923777 /nfs/dbraw/zinc/92/37/77/1031923777.db2.gz WRIXEFBYIMWGOX-FTRWYGJKSA-N 1 0 313.441 3.956 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846212459 1031944372 /nfs/dbraw/zinc/94/43/72/1031944372.db2.gz DUZLYZISZUFWAJ-NWDGAFQWSA-N 1 0 300.229 3.943 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846212465 1031944776 /nfs/dbraw/zinc/94/47/76/1031944776.db2.gz DUZLYZISZUFWAJ-VXGBXAGGSA-N 1 0 300.229 3.943 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000898179720 1031983156 /nfs/dbraw/zinc/98/31/56/1031983156.db2.gz NNZVJLNLJJDBCE-HNNXBMFYSA-N 1 0 313.445 3.856 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000137065484 1033321152 /nfs/dbraw/zinc/32/11/52/1033321152.db2.gz NGYWSBVKXQACAL-INIZCTEOSA-N 1 0 301.386 3.777 20 10 DHCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(O)c1 ZINC000877519666 1033332972 /nfs/dbraw/zinc/33/29/72/1033332972.db2.gz ZEHHAKMEENOLML-AABGKKOBSA-N 1 0 323.436 3.705 20 10 DHCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001172776523 1033364686 /nfs/dbraw/zinc/36/46/86/1033364686.db2.gz LDMAEMFASQTXPI-BHYGNILZSA-N 1 0 318.461 3.525 20 10 DHCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825980187 1033369252 /nfs/dbraw/zinc/36/92/52/1033369252.db2.gz UNFMSDWXFGRABG-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000877612016 1033383613 /nfs/dbraw/zinc/38/36/13/1033383613.db2.gz AWMCSJPHKWNKNW-BIBXISHDSA-N 1 0 319.769 3.858 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000191278166 1033390040 /nfs/dbraw/zinc/39/00/40/1033390040.db2.gz QRMXRWHYSHCQTB-UHFFFAOYSA-N 1 0 315.461 3.680 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1C ZINC000877674937 1033407300 /nfs/dbraw/zinc/40/73/00/1033407300.db2.gz XMWIZLKMMSSYSE-MOPGFXCFSA-N 1 0 311.425 3.707 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2CCC23CCOCC3)ccc2ccccc21 ZINC000877728451 1033423329 /nfs/dbraw/zinc/42/33/29/1033423329.db2.gz PCRJSPVNHOWBGA-QGZVFWFLSA-N 1 0 311.425 3.842 20 10 DHCDRO COc1cc2c(c(C[NH2+][C@@H](C)c3ccccc3O)c1)O[C@@H](C)C2 ZINC000877757401 1033434150 /nfs/dbraw/zinc/43/41/50/1033434150.db2.gz XQNVZKOGZHYDSU-STQMWFEESA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877823525 1033474361 /nfs/dbraw/zinc/47/43/61/1033474361.db2.gz MCKZFXXIVOMUBJ-ZANVPECISA-N 1 0 323.742 3.587 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1O ZINC000927070993 1033523877 /nfs/dbraw/zinc/52/38/77/1033523877.db2.gz RMIAXUITUWNIBT-FUHWJXTLSA-N 1 0 301.434 3.872 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153110014 1033562776 /nfs/dbraw/zinc/56/27/76/1033562776.db2.gz SPAWGSGWAGSYLA-HUUCEWRRSA-N 1 0 306.425 3.503 20 10 DHCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C)c1ccccc1O)CC2 ZINC001173611207 1033793470 /nfs/dbraw/zinc/79/34/70/1033793470.db2.gz NYRYRVDMNOMBPV-VSPZMHAVSA-N 1 0 317.429 3.555 20 10 DHCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001173634858 1033802488 /nfs/dbraw/zinc/80/24/88/1033802488.db2.gz HRBFCMWWECXZQV-ZMSDIMECSA-N 1 0 318.461 3.525 20 10 DHCDRO COCCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000862438320 1033853471 /nfs/dbraw/zinc/85/34/71/1033853471.db2.gz ZUWKKRORGFFSHV-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(Cl)c1O ZINC000862478446 1033863709 /nfs/dbraw/zinc/86/37/09/1033863709.db2.gz HOEOIIFIAPWKJU-UHFFFAOYSA-N 1 0 321.804 3.748 20 10 DHCDRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648191 1034070348 /nfs/dbraw/zinc/07/03/48/1034070348.db2.gz DCSVUXMMIPIZJL-CYBMUJFWSA-N 1 0 316.376 3.519 20 10 DHCDRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879650030 1034072103 /nfs/dbraw/zinc/07/21/03/1034072103.db2.gz YFNVFUYQWBYGTO-CQSZACIVSA-N 1 0 312.413 3.552 20 10 DHCDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649348 1034072642 /nfs/dbraw/zinc/07/26/42/1034072642.db2.gz QRTVMMGPJWWXRT-OLZOCXBDSA-N 1 0 316.376 3.518 20 10 DHCDRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000879651666 1034073961 /nfs/dbraw/zinc/07/39/61/1034073961.db2.gz FZCAPQRUTAOCLW-AWEZNQCLSA-N 1 0 323.396 3.726 20 10 DHCDRO CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000863546173 1034125500 /nfs/dbraw/zinc/12/55/00/1034125500.db2.gz JSEJUUFWVGYULQ-QKCSRTOESA-N 1 0 316.367 3.592 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000128145873 1034188559 /nfs/dbraw/zinc/18/85/59/1034188559.db2.gz QNHPHYMZWNCDIG-GDBMZVCRSA-N 1 0 308.441 3.628 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnn(CC)c2)cc1 ZINC000178227974 1034221269 /nfs/dbraw/zinc/22/12/69/1034221269.db2.gz DULIUXOPGNMSEM-HNNXBMFYSA-N 1 0 300.450 3.600 20 10 DHCDRO CC(C)C(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000808736159 1034250223 /nfs/dbraw/zinc/25/02/23/1034250223.db2.gz LQHFONJTCHBKKH-UHFFFAOYSA-N 1 0 301.386 3.603 20 10 DHCDRO CCc1cccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)c1O ZINC000864050952 1034277585 /nfs/dbraw/zinc/27/75/85/1034277585.db2.gz WQFXYOMOSXXGOW-UHFFFAOYSA-N 1 0 316.489 3.795 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1O ZINC000183440526 1034387298 /nfs/dbraw/zinc/38/72/98/1034387298.db2.gz XRHTUSVKMXIZHI-OAHLLOKOSA-N 1 0 324.424 3.760 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000183625134 1034405551 /nfs/dbraw/zinc/40/55/51/1034405551.db2.gz FHFQPYNXWPZCRA-MAUKXSAKSA-N 1 0 313.441 3.845 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000794800890 1034472902 /nfs/dbraw/zinc/47/29/02/1034472902.db2.gz FEIOYOGAWLTZCY-MJGOQNOKSA-N 1 0 313.441 3.593 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000794808385 1034497054 /nfs/dbraw/zinc/49/70/54/1034497054.db2.gz ASFLLGPCQGDFKC-AYOQOUSVSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000184894716 1034510751 /nfs/dbraw/zinc/51/07/51/1034510751.db2.gz HZPGAMYXSFBEHX-GFCCVEGCSA-N 1 0 304.821 3.962 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000184918279 1034512526 /nfs/dbraw/zinc/51/25/26/1034512526.db2.gz CYQRQLXDNWVXDC-PXAZEXFGSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000185002044 1034519904 /nfs/dbraw/zinc/51/99/04/1034519904.db2.gz QUOUMHNBAZCFCK-QWHCGFSZSA-N 1 0 313.445 3.725 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794814537 1034520579 /nfs/dbraw/zinc/52/05/79/1034520579.db2.gz LSMCSPIFRFQDJH-HIFRSBDPSA-N 1 0 322.449 3.655 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000185019615 1034521592 /nfs/dbraw/zinc/52/15/92/1034521592.db2.gz RCJQKTQIJOQWHG-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000185019368 1034522329 /nfs/dbraw/zinc/52/23/29/1034522329.db2.gz CDLYEBOJTMRSOQ-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185012197 1034522785 /nfs/dbraw/zinc/52/27/85/1034522785.db2.gz IVZWMEARKPESOJ-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO CCOCCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185070651 1034525538 /nfs/dbraw/zinc/52/55/38/1034525538.db2.gz WXHQRWOVHIOFBV-NSHDSACASA-N 1 0 316.239 3.622 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000185095506 1034527222 /nfs/dbraw/zinc/52/72/22/1034527222.db2.gz ZRUWTOGNLVFWGA-QLJPJBMISA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185104606 1034527432 /nfs/dbraw/zinc/52/74/32/1034527432.db2.gz DNTUWKSKVXAYFG-CQSZACIVSA-N 1 0 314.404 3.851 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000185193285 1034533267 /nfs/dbraw/zinc/53/32/67/1034533267.db2.gz DJBPHPJRBBOQEZ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426426 1034545561 /nfs/dbraw/zinc/54/55/61/1034545561.db2.gz UHCLZPDJJSXGJI-QWRGUYRKSA-N 1 0 306.431 3.832 20 10 DHCDRO Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000794830127 1034550124 /nfs/dbraw/zinc/55/01/24/1034550124.db2.gz ZEDQOERTFIGBGO-ABAIWWIYSA-N 1 0 300.377 3.615 20 10 DHCDRO Cc1cccc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000794830130 1034550262 /nfs/dbraw/zinc/55/02/62/1034550262.db2.gz ZEDQOERTFIGBGO-NHYWBVRUSA-N 1 0 300.377 3.615 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000185468711 1034552369 /nfs/dbraw/zinc/55/23/69/1034552369.db2.gz HLSWHSGVORLDGQ-VBHSOAQHSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000185518507 1034554670 /nfs/dbraw/zinc/55/46/70/1034554670.db2.gz QBZFJUDQPLFONY-BMIGLBTASA-N 1 0 311.834 3.665 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000185548140 1034556136 /nfs/dbraw/zinc/55/61/36/1034556136.db2.gz LCDQWQPRTYHNLP-LRDDRELGSA-N 1 0 319.401 3.595 20 10 DHCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000794834082 1034562849 /nfs/dbraw/zinc/56/28/49/1034562849.db2.gz XBRNUHCUBATYFM-CABCVRRESA-N 1 0 304.478 3.652 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c1 ZINC000185833728 1034576158 /nfs/dbraw/zinc/57/61/58/1034576158.db2.gz GWIAGGACTJYYGQ-NJSLBKSFSA-N 1 0 315.413 3.564 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000186196569 1034606954 /nfs/dbraw/zinc/60/69/54/1034606954.db2.gz RCSAZIDYVXNQMW-DIFFPNOSSA-N 1 0 323.795 3.877 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186507046 1034638044 /nfs/dbraw/zinc/63/80/44/1034638044.db2.gz WZVJBLSZVXWWED-CMDLKFMISA-N 1 0 302.462 3.655 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000777438651 1034743132 /nfs/dbraw/zinc/74/31/32/1034743132.db2.gz ACMXXJNQJDKFGS-FQEVSTJZSA-N 1 0 316.489 3.924 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1F ZINC000192780252 1034820071 /nfs/dbraw/zinc/82/00/71/1034820071.db2.gz XGWSIGNQFZTJJY-SFHVURJKSA-N 1 0 313.420 3.928 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000193280667 1034839395 /nfs/dbraw/zinc/83/93/95/1034839395.db2.gz QWNNEFJMXJFEFU-QGZVFWFLSA-N 1 0 317.816 3.752 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1Cn1cccn1 ZINC001177093908 1035349308 /nfs/dbraw/zinc/34/93/08/1035349308.db2.gz VOIDHEVKCGONTE-CRAIPNDOSA-N 1 0 313.445 3.608 20 10 DHCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001177479812 1035376652 /nfs/dbraw/zinc/37/66/52/1035376652.db2.gz ZTDWISLJVYSGPB-INIZCTEOSA-N 1 0 310.441 3.630 20 10 DHCDRO CS[C@@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC001177904036 1035397598 /nfs/dbraw/zinc/39/75/98/1035397598.db2.gz GMSWXFAIKRVQPU-VXGBXAGGSA-N 1 0 302.534 3.889 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000773745437 1035430681 /nfs/dbraw/zinc/43/06/81/1035430681.db2.gz BXPOOJLLNGHZSB-UHFFFAOYSA-N 1 0 304.478 3.780 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(O)c(C(C)(C)C)c1 ZINC001178546499 1035435247 /nfs/dbraw/zinc/43/52/47/1035435247.db2.gz UFBMFKMYHOXDGL-AWEZNQCLSA-N 1 0 321.461 3.746 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001178998301 1035460701 /nfs/dbraw/zinc/46/07/01/1035460701.db2.gz IVLVYJDZVVJSDE-KJYWSYJISA-N 1 0 310.416 3.993 20 10 DHCDRO COc1cc(C[NH2+]CCCOC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001179095898 1035464975 /nfs/dbraw/zinc/46/49/75/1035464975.db2.gz PSKFMXUAUBAAQE-UHFFFAOYSA-N 1 0 323.477 3.993 20 10 DHCDRO c1cncc(C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC001179425515 1035479035 /nfs/dbraw/zinc/47/90/35/1035479035.db2.gz IZQIIAAWCCKEPK-FQEVSTJZSA-N 1 0 322.452 3.908 20 10 DHCDRO COc1ccc(C[N@H+](CC2CC2)C2CCCCC2)c(O)c1OC ZINC001180048893 1035565101 /nfs/dbraw/zinc/56/51/01/1035565101.db2.gz YJXHRJDWNXOCPP-UHFFFAOYSA-N 1 0 319.445 3.954 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775585113 1035597074 /nfs/dbraw/zinc/59/70/74/1035597074.db2.gz DBVNLLTWBOFCME-MNEFBYGVSA-N 1 0 304.478 3.997 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCCC2)cc1 ZINC000775587090 1035597627 /nfs/dbraw/zinc/59/76/27/1035597627.db2.gz SEOWYYBGJMJKAP-INIZCTEOSA-N 1 0 304.478 3.879 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000773846964 1035638395 /nfs/dbraw/zinc/63/83/95/1035638395.db2.gz MJSGGXGHWJWFQC-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO COCC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)c1ccco1 ZINC001180317727 1035641763 /nfs/dbraw/zinc/64/17/63/1035641763.db2.gz MWUSUFLWGWVKKR-INIZCTEOSA-N 1 0 303.402 3.976 20 10 DHCDRO C[NH+](C)CCc1ccccc1NCc1ccc(Cl)cc1O ZINC001180996626 1035805070 /nfs/dbraw/zinc/80/50/70/1035805070.db2.gz SOZZLSVKOUULSP-UHFFFAOYSA-N 1 0 304.821 3.762 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1Cl ZINC001181112796 1035835596 /nfs/dbraw/zinc/83/55/96/1035835596.db2.gz MPZVXQAXFKEPAH-GOSISDBHSA-N 1 0 319.832 3.741 20 10 DHCDRO CCc1cccc(C[N@@H+]2CCC(C)=C(Br)C2)c1O ZINC001181254609 1035884821 /nfs/dbraw/zinc/88/48/21/1035884821.db2.gz IYLFXXNJXBDQBC-UHFFFAOYSA-N 1 0 310.235 3.829 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC001181360307 1035895473 /nfs/dbraw/zinc/89/54/73/1035895473.db2.gz FNXPXLKNIFYCII-UHFFFAOYSA-N 1 0 303.446 3.908 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc2c1OCC2 ZINC001181554434 1035940360 /nfs/dbraw/zinc/94/03/60/1035940360.db2.gz DGKADVDOUCZHBA-UHFFFAOYSA-N 1 0 322.452 3.854 20 10 DHCDRO Cc1ccc(C[NH2+]CCOc2ccc(Cl)c(F)c2)c(O)c1 ZINC001181776577 1035988084 /nfs/dbraw/zinc/98/80/84/1035988084.db2.gz PWBSZSABULZYLF-UHFFFAOYSA-N 1 0 309.768 3.662 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000774379114 1036306376 /nfs/dbraw/zinc/30/63/76/1036306376.db2.gz RWYGORXKFZRVSC-LPHOPBHVSA-N 1 0 312.457 3.794 20 10 DHCDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774356069 1036312147 /nfs/dbraw/zinc/31/21/47/1036312147.db2.gz MRKGCQUYXWJUQX-SNVBAGLBSA-N 1 0 318.244 3.902 20 10 DHCDRO CCC[N@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1O ZINC000775667540 1036329841 /nfs/dbraw/zinc/32/98/41/1036329841.db2.gz KQDHFRYOHWRDIT-UHFFFAOYSA-N 1 0 309.413 3.691 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC001195790699 1036347885 /nfs/dbraw/zinc/34/78/85/1036347885.db2.gz VWFGCQHLIAAGDJ-UHFFFAOYSA-N 1 0 323.440 3.745 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC[C@H](C)C2)cc1 ZINC001195790684 1036349050 /nfs/dbraw/zinc/34/90/50/1036349050.db2.gz VKIRIRFCRGYNHI-IRXDYDNUSA-N 1 0 304.478 3.890 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(C3CCOCC3)CC2)cc1C ZINC000155478776 1036460024 /nfs/dbraw/zinc/46/00/24/1036460024.db2.gz SLJOFHSFJPBJLV-UHFFFAOYSA-N 1 0 303.446 3.648 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC001182854100 1036467015 /nfs/dbraw/zinc/46/70/15/1036467015.db2.gz FRDIFYDPTXWGEG-KURKYZTESA-N 1 0 314.473 3.832 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000775699141 1036473819 /nfs/dbraw/zinc/47/38/19/1036473819.db2.gz ZZRIALIPMZCJDS-SFHVURJKSA-N 1 0 315.438 3.691 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001182968711 1036489061 /nfs/dbraw/zinc/48/90/61/1036489061.db2.gz DWPXPQLQMHVDQX-SJCJKPOMSA-N 1 0 313.388 3.760 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001182978098 1036501219 /nfs/dbraw/zinc/50/12/19/1036501219.db2.gz IPJNEKNZLQXQGK-HXUWFJFHSA-N 1 0 310.441 3.714 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163574435 1036510179 /nfs/dbraw/zinc/51/01/79/1036510179.db2.gz KBJXCUFMWNDDSY-GOEBONIOSA-N 1 0 308.441 3.628 20 10 DHCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000775725127 1036565990 /nfs/dbraw/zinc/56/59/90/1036565990.db2.gz IWDIFQJGYQEOQL-UHFFFAOYSA-N 1 0 309.837 3.971 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CCCCO3)CC2)c(Cl)c1 ZINC001183490082 1036595917 /nfs/dbraw/zinc/59/59/17/1036595917.db2.gz AVNHSXWBBQTQLU-UHFFFAOYSA-N 1 0 309.837 3.889 20 10 DHCDRO C[C@@H]1CCOCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000774650717 1036629843 /nfs/dbraw/zinc/62/98/43/1036629843.db2.gz ROBOOJXTIYGECP-CYBMUJFWSA-N 1 0 311.381 3.902 20 10 DHCDRO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001183863626 1036698639 /nfs/dbraw/zinc/69/86/39/1036698639.db2.gz FMQRMCJBLXNPHS-UHFFFAOYSA-N 1 0 322.880 3.932 20 10 DHCDRO CC[N@H+](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001203875562 1036757963 /nfs/dbraw/zinc/75/79/63/1036757963.db2.gz QCRFPRCKUIKRMS-CQSZACIVSA-N 1 0 315.413 3.560 20 10 DHCDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184219513 1036776064 /nfs/dbraw/zinc/77/60/64/1036776064.db2.gz WCBIWRVTAVQPQQ-UWVAXJGDSA-N 1 0 317.521 3.771 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2O)c(OC)c1 ZINC001184314085 1036797507 /nfs/dbraw/zinc/79/75/07/1036797507.db2.gz DWLSURMCICBROG-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168444269 1036852722 /nfs/dbraw/zinc/85/27/22/1036852722.db2.gz GOLVZHIDXQGRRN-FQEVSTJZSA-N 1 0 312.432 3.881 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168444270 1036852994 /nfs/dbraw/zinc/85/29/94/1036852994.db2.gz GOLVZHIDXQGRRN-HXUWFJFHSA-N 1 0 312.432 3.881 20 10 DHCDRO Cc1cc(-c2nc(C3([NH3+])CCC3)no2)c(C)n1-c1ccccc1C ZINC000261871457 1036928246 /nfs/dbraw/zinc/92/82/46/1036928246.db2.gz VGHFXHSWKMAAJR-UHFFFAOYSA-N 1 0 322.412 3.790 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1O ZINC000236960104 1036987406 /nfs/dbraw/zinc/98/74/06/1036987406.db2.gz HGBVAIHBHFNKJW-CQSZACIVSA-N 1 0 315.413 3.607 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC001198686052 1037108964 /nfs/dbraw/zinc/10/89/64/1037108964.db2.gz QNUZCXAAZNRGBR-MOPGFXCFSA-N 1 0 302.462 3.595 20 10 DHCDRO CCc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000915789517 1037187556 /nfs/dbraw/zinc/18/75/56/1037187556.db2.gz HJRDITSGJSIKLA-ZIAGYGMSSA-N 1 0 305.462 3.861 20 10 DHCDRO CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199059941 1037190940 /nfs/dbraw/zinc/19/09/40/1037190940.db2.gz JZBMZKZGDREMMC-SFHVURJKSA-N 1 0 317.521 3.887 20 10 DHCDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199274907 1037223195 /nfs/dbraw/zinc/22/31/95/1037223195.db2.gz AADVYFXWKXAQNI-XHYWIYSBSA-N 1 0 316.489 3.951 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000776010149 1037305226 /nfs/dbraw/zinc/30/52/26/1037305226.db2.gz MMBIMOVNXVGLFD-INIZCTEOSA-N 1 0 311.425 3.992 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000776015667 1037308777 /nfs/dbraw/zinc/30/87/77/1037308777.db2.gz XBHMRFYVJSAFRX-ZYHUDNBSSA-N 1 0 303.324 3.564 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccccc2O)c1 ZINC000774982966 1037329502 /nfs/dbraw/zinc/32/95/02/1037329502.db2.gz MMWRGJNWSUEAPE-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825529580 1037339540 /nfs/dbraw/zinc/33/95/40/1037339540.db2.gz FFYNPSLSHGNDHU-IRXDYDNUSA-N 1 0 309.837 3.649 20 10 DHCDRO Oc1cccc(Cl)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000776123254 1037464602 /nfs/dbraw/zinc/46/46/02/1037464602.db2.gz NDEYBCSKKQDVBS-UHFFFAOYSA-N 1 0 322.880 3.790 20 10 DHCDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152705456 1037519686 /nfs/dbraw/zinc/51/96/86/1037519686.db2.gz KPZXJWRLPLJOPO-LSDHHAIUSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776167630 1037668870 /nfs/dbraw/zinc/66/88/70/1037668870.db2.gz NEQYLEWBAUCSSY-ROUUACIJSA-N 1 0 304.478 3.590 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000776174673 1037679209 /nfs/dbraw/zinc/67/92/09/1037679209.db2.gz QTJPXGZMIJPCPO-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000776174043 1037679607 /nfs/dbraw/zinc/67/96/07/1037679607.db2.gz ZIJPLXAGMKIFNB-UHFFFAOYSA-N 1 0 303.789 3.833 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000776231963 1037983693 /nfs/dbraw/zinc/98/36/93/1037983693.db2.gz RNPZMPABDWSXDZ-MRXNPFEDSA-N 1 0 321.852 3.965 20 10 DHCDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000775204613 1038002358 /nfs/dbraw/zinc/00/23/58/1038002358.db2.gz AHDCXZPNIJSHOU-KRWDZBQOSA-N 1 0 316.489 3.924 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000776254900 1038072934 /nfs/dbraw/zinc/07/29/34/1038072934.db2.gz NQWYMUFGERLAKK-SCLBCKFNSA-N 1 0 303.377 3.706 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1 ZINC000776257909 1038092446 /nfs/dbraw/zinc/09/24/46/1038092446.db2.gz PWWLPYAWIMKLKH-QGZVFWFLSA-N 1 0 318.505 3.811 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775362605 1038274833 /nfs/dbraw/zinc/27/48/33/1038274833.db2.gz IPUIWXMNHPYRJI-GFCCVEGCSA-N 1 0 317.364 3.651 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCOc2ccccc2)c1 ZINC000775370750 1038282589 /nfs/dbraw/zinc/28/25/89/1038282589.db2.gz QDAPSFHYGPCFRP-HNNXBMFYSA-N 1 0 315.413 3.911 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775396286 1038343026 /nfs/dbraw/zinc/34/30/26/1038343026.db2.gz VJEYYJVRQROGNA-IXDOHACOSA-N 1 0 322.543 3.530 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775410917 1038380339 /nfs/dbraw/zinc/38/03/39/1038380339.db2.gz CHINDTWAHYUWTM-WBVHZDCISA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775410912 1038382818 /nfs/dbraw/zinc/38/28/18/1038382818.db2.gz CHINDTWAHYUWTM-DOTOQJQBSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775414182 1038387305 /nfs/dbraw/zinc/38/73/05/1038387305.db2.gz DURUIRVOVHGRJU-HNNXBMFYSA-N 1 0 315.804 3.934 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccccc1OC)c1ccccc1O ZINC000775416753 1038396814 /nfs/dbraw/zinc/39/68/14/1038396814.db2.gz YZHJHYPWKYBHGX-HNNXBMFYSA-N 1 0 301.386 3.521 20 10 DHCDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N2CCCCCC2)cc1 ZINC000775420787 1038401679 /nfs/dbraw/zinc/40/16/79/1038401679.db2.gz ZCWIMIOMXLBYNP-QGZVFWFLSA-N 1 0 324.472 3.750 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775483371 1038550939 /nfs/dbraw/zinc/55/09/39/1038550939.db2.gz SJFGIXAYWUXSQI-NVXWUHKLSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1O ZINC000775491152 1038559852 /nfs/dbraw/zinc/55/98/52/1038559852.db2.gz YXVUYWHPGGXMOK-INIZCTEOSA-N 1 0 305.805 3.779 20 10 DHCDRO Oc1ccccc1CN(Cc1ccco1)Cc1ccns1 ZINC001192003965 1038574844 /nfs/dbraw/zinc/57/48/44/1038574844.db2.gz GPTWSKROBYAVSN-UHFFFAOYSA-N 1 0 300.383 3.644 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000775496806 1038579349 /nfs/dbraw/zinc/57/93/49/1038579349.db2.gz LTRVJKFENWLLGP-MAUKXSAKSA-N 1 0 310.441 3.884 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775500639 1038590667 /nfs/dbraw/zinc/59/06/67/1038590667.db2.gz VSIFYZQOGHGQEL-LJQANCHMSA-N 1 0 321.424 3.861 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1O ZINC000775513864 1038608707 /nfs/dbraw/zinc/60/87/07/1038608707.db2.gz VJLHLNOWLZVHHJ-UVBJJODRSA-N 1 0 308.853 3.569 20 10 DHCDRO Cc1cc(C[N@H+]2CCN(C)CC2(C)C)ccc1N1CCCCC1 ZINC001192262097 1038615459 /nfs/dbraw/zinc/61/54/59/1038615459.db2.gz QSVFTYMTDXAYIM-UHFFFAOYSA-N 1 0 315.505 3.511 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccccc1O ZINC000775552014 1038708647 /nfs/dbraw/zinc/70/86/47/1038708647.db2.gz RGQDYKSHHPFEQJ-PBHICJAKSA-N 1 0 303.402 3.674 20 10 DHCDRO COc1cc(Br)cc(C[NH+]2CCCCCC2)c1O ZINC000157369322 1038906460 /nfs/dbraw/zinc/90/64/60/1038906460.db2.gz NDHZCEPMTSZRSS-UHFFFAOYSA-N 1 0 314.223 3.539 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)CC(F)(F)F)CC2)cc1 ZINC000157451967 1038982988 /nfs/dbraw/zinc/98/29/88/1038982988.db2.gz AIKLHFBLQGMDAT-GFCCVEGCSA-N 1 0 316.367 3.595 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000760896111 1039038753 /nfs/dbraw/zinc/03/87/53/1039038753.db2.gz DMNAYJJNHJSTTE-HNNXBMFYSA-N 1 0 322.456 3.880 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000172097101 1039738551 /nfs/dbraw/zinc/73/85/51/1039738551.db2.gz JJXMFVRVYJTHDF-SFHVURJKSA-N 1 0 324.468 3.759 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169149353 1040325065 /nfs/dbraw/zinc/32/50/65/1040325065.db2.gz JOGXUMJWFSBMNY-WOJBJXKFSA-N 1 0 312.457 3.701 20 10 DHCDRO Nc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC001120370989 1040602079 /nfs/dbraw/zinc/60/20/79/1040602079.db2.gz LUQGRFPNQISXIA-MRXNPFEDSA-N 1 0 302.443 3.512 20 10 DHCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000174556271 1040661381 /nfs/dbraw/zinc/66/13/81/1040661381.db2.gz WYYBXFQCSODEEJ-INIZCTEOSA-N 1 0 304.478 3.970 20 10 DHCDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C[NH+]1CCCC1 ZINC000060942127 1041332491 /nfs/dbraw/zinc/33/24/91/1041332491.db2.gz RHPWGAAMLKPULZ-NSHDSACASA-N 1 0 317.260 3.521 20 10 DHCDRO CCC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000092704994 185334011 /nfs/dbraw/zinc/33/40/11/185334011.db2.gz WOFGUQPJFIXNSF-UHFFFAOYSA-N 1 0 312.413 3.763 20 10 DHCDRO CCOc1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000091901607 193124620 /nfs/dbraw/zinc/12/46/20/193124620.db2.gz FHPJANPVAHUGDU-UHFFFAOYSA-N 1 0 317.351 3.955 20 10 DHCDRO COCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093103471 193203951 /nfs/dbraw/zinc/20/39/51/193203951.db2.gz NEPVMFVKXFTVFA-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000042879418 183316143 /nfs/dbraw/zinc/31/61/43/183316143.db2.gz AGIFJSMDGQBYIU-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000272359265 130022958 /nfs/dbraw/zinc/02/29/58/130022958.db2.gz VXMAZWWHKCSQOY-MRXNPFEDSA-N 1 0 303.402 3.772 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864203 130070078 /nfs/dbraw/zinc/07/00/78/130070078.db2.gz NKPJJLPQIUBTFD-ZFWWWQNUSA-N 1 0 314.433 3.512 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000272914186 130073335 /nfs/dbraw/zinc/07/33/35/130073335.db2.gz WZUKCHDOGWYWTC-SNVBAGLBSA-N 1 0 311.303 3.984 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273353004 130109620 /nfs/dbraw/zinc/10/96/20/130109620.db2.gz CCMWPDAOWHVZFX-CQSZACIVSA-N 1 0 315.461 3.718 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1OC ZINC000273384177 130113713 /nfs/dbraw/zinc/11/37/13/130113713.db2.gz JBJKJVZKUNUDKH-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(F)ccc1O ZINC000273405863 130117470 /nfs/dbraw/zinc/11/74/70/130117470.db2.gz OIZICCNWZKPEHP-IAQYHMDHSA-N 1 0 308.422 3.546 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000273452854 130124408 /nfs/dbraw/zinc/12/44/08/130124408.db2.gz GKHYSHRBVMPBCK-LZWOXQAQSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000273491765 130128217 /nfs/dbraw/zinc/12/82/17/130128217.db2.gz OJGUBLZLUGGBBD-BMIGLBTASA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000273508675 130130982 /nfs/dbraw/zinc/13/09/82/130130982.db2.gz RINKMYXMYQZVSQ-FBJOKTGGSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1C ZINC000273598735 130141735 /nfs/dbraw/zinc/14/17/35/130141735.db2.gz RNGOZXZTBHWQFM-HNNXBMFYSA-N 1 0 312.413 3.688 20 10 DHCDRO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287692 130223073 /nfs/dbraw/zinc/22/30/73/130223073.db2.gz ZSUKYJNJRFNVGD-MNOVXSKESA-N 1 0 317.458 3.843 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1C ZINC000281612188 130874111 /nfs/dbraw/zinc/87/41/11/130874111.db2.gz KTSWDSHEXYNCQX-UHFFFAOYSA-N 1 0 313.294 3.855 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1 ZINC000283998445 131039627 /nfs/dbraw/zinc/03/96/27/131039627.db2.gz HRFZVEXXOVWRMW-OAHLLOKOSA-N 1 0 309.413 3.550 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000284363276 131074125 /nfs/dbraw/zinc/07/41/25/131074125.db2.gz NEJLIVLZVFKHHO-LJQANCHMSA-N 1 0 321.424 3.878 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284407307 131078369 /nfs/dbraw/zinc/07/83/69/131078369.db2.gz QDXAZPPHFBMPGX-UONOGXRCSA-N 1 0 300.229 3.716 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000285237141 131150545 /nfs/dbraw/zinc/15/05/45/131150545.db2.gz PMDHHEBQAPJTHT-MPGHIAIKSA-N 1 0 321.486 3.714 20 10 DHCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287173081 131267864 /nfs/dbraw/zinc/26/78/64/131267864.db2.gz USZFKUXQPKCIKE-HNNXBMFYSA-N 1 0 318.436 3.813 20 10 DHCDRO CC[C@H](Nc1cc(CCOC)ccn1)c1ccc(C)cc1O ZINC000287748056 131298715 /nfs/dbraw/zinc/29/87/15/131298715.db2.gz ZEOSTKBREYOUPC-INIZCTEOSA-N 1 0 300.402 3.848 20 10 DHCDRO Cc1cnn(C)c1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000289071546 131356509 /nfs/dbraw/zinc/35/65/09/131356509.db2.gz JUQGQGQJQYSXKC-UHFFFAOYSA-N 1 0 313.445 3.769 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290057789 131449099 /nfs/dbraw/zinc/44/90/99/131449099.db2.gz GXYZKGIOSCBDCV-SFHVURJKSA-N 1 0 316.420 3.535 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)cnc1Cl)c1ccc(F)cc1[O-] ZINC000297300628 132008665 /nfs/dbraw/zinc/00/86/65/132008665.db2.gz MJERQFZFFTVIHD-ZDUSSCGKSA-N 1 0 312.747 3.960 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(-n2cccn2)cc1 ZINC000297957738 132042439 /nfs/dbraw/zinc/04/24/39/132042439.db2.gz ZCARLVYRJRSGAQ-KDOFPFPSSA-N 1 0 319.408 3.916 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184990413 333203192 /nfs/dbraw/zinc/20/31/92/333203192.db2.gz ZBEIEEYDVRJJJE-ZDUSSCGKSA-N 1 0 303.377 3.919 20 10 DHCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000296410179 335144575 /nfs/dbraw/zinc/14/45/75/335144575.db2.gz MABGTTLQSDRVLU-SFHVURJKSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000296643003 335145377 /nfs/dbraw/zinc/14/53/77/335145377.db2.gz CGHIROOFUPDPAS-VHSXEESVSA-N 1 0 306.233 3.758 20 10 DHCDRO OCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297255796 335152196 /nfs/dbraw/zinc/15/21/96/335152196.db2.gz JRDGOKLSCPKTPP-JKSUJKDBSA-N 1 0 317.816 3.746 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000271651998 334025027 /nfs/dbraw/zinc/02/50/27/334025027.db2.gz JDHBYXMRXMLZJV-NSHDSACASA-N 1 0 317.360 3.593 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000272870044 334040554 /nfs/dbraw/zinc/04/05/54/334040554.db2.gz OPFFTAIVQNFJCP-WLYUNCDWSA-N 1 0 319.445 3.943 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1C ZINC000273464255 334047523 /nfs/dbraw/zinc/04/75/23/334047523.db2.gz DJRUTDAHPHBECB-DYVFJYSZSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1C ZINC000273464256 334047590 /nfs/dbraw/zinc/04/75/90/334047590.db2.gz DJRUTDAHPHBECB-GUYCJALGSA-N 1 0 305.443 3.629 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368241806 336841025 /nfs/dbraw/zinc/84/10/25/336841025.db2.gz HHMPNYJKSMLAEI-KRWDZBQOSA-N 1 0 311.425 3.794 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000368327880 336842456 /nfs/dbraw/zinc/84/24/56/336842456.db2.gz NFPXSAUQAXRWRP-ABAIWWIYSA-N 1 0 317.360 3.714 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000369516007 336866294 /nfs/dbraw/zinc/86/62/94/336866294.db2.gz BTZYSQBTBSRIKP-GOSISDBHSA-N 1 0 311.425 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000371864524 336914862 /nfs/dbraw/zinc/91/48/62/336914862.db2.gz LTIFHBQPWQEWFK-AWEZNQCLSA-N 1 0 319.445 3.791 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255466 337006610 /nfs/dbraw/zinc/00/66/10/337006610.db2.gz GNAJJCICETUFCD-NVXWUHKLSA-N 1 0 313.445 3.532 20 10 DHCDRO COc1ccc(N2CCC([N@H+](C)CCCCCF)CC2)cc1 ZINC000375361141 337009114 /nfs/dbraw/zinc/00/91/14/337009114.db2.gz JFQQSGFMAOLGCP-UHFFFAOYSA-N 1 0 308.441 3.736 20 10 DHCDRO OC[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)c2ccccc21 ZINC000376957263 337044198 /nfs/dbraw/zinc/04/41/98/337044198.db2.gz JMBQRMVAGREVJF-YWZLYKJASA-N 1 0 319.404 3.856 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC000378439664 337072760 /nfs/dbraw/zinc/07/27/60/337072760.db2.gz STQDMIKJAFAPLH-CYBMUJFWSA-N 1 0 317.820 3.524 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339164 337191468 /nfs/dbraw/zinc/19/14/68/337191468.db2.gz DLODATFYCJUOHX-PBHICJAKSA-N 1 0 322.412 3.775 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1O ZINC000183553323 337192172 /nfs/dbraw/zinc/19/21/72/337192172.db2.gz WWWOETPIIQMRLP-CYBMUJFWSA-N 1 0 302.443 3.773 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000183631834 337193930 /nfs/dbraw/zinc/19/39/30/337193930.db2.gz RSJKWIRHRJGSLV-ZIAGYGMSSA-N 1 0 323.396 3.897 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112762 337253804 /nfs/dbraw/zinc/25/38/04/337253804.db2.gz AXIJDUCEJDYCCC-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113198 337253854 /nfs/dbraw/zinc/25/38/54/337253854.db2.gz RLKSYVCSXOULTB-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(Nc3nccs3)CC2)cc1C ZINC000189954992 337284013 /nfs/dbraw/zinc/28/40/13/337284013.db2.gz ZVQUDLSGSDIWNU-UHFFFAOYSA-N 1 0 317.458 3.542 20 10 DHCDRO C[N@@H+]1Cc2ccc(NCc3c(O)ccc(Cl)c3F)cc2C1 ZINC000191407967 337296790 /nfs/dbraw/zinc/29/67/90/337296790.db2.gz CHEZRHFTVXITTK-UHFFFAOYSA-N 1 0 306.768 3.742 20 10 DHCDRO COc1ccc([C@H]([NH2+]Cc2cc(C)c(C)cc2O)C2CC2)cn1 ZINC000527842715 337768104 /nfs/dbraw/zinc/76/81/04/337768104.db2.gz YBCXRHADIBOIOB-LJQANCHMSA-N 1 0 312.413 3.654 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)cn1 ZINC000527992702 337778414 /nfs/dbraw/zinc/77/84/14/337778414.db2.gz ZUUTXPCUBSBRPK-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000479452907 339535800 /nfs/dbraw/zinc/53/58/00/339535800.db2.gz IVMJZVZBXXZFHE-LSTHTHJFSA-N 1 0 324.468 3.924 20 10 DHCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000554377904 341452606 /nfs/dbraw/zinc/45/26/06/341452606.db2.gz WPVIUXKPGLDWNW-SFHVURJKSA-N 1 0 308.425 3.964 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnn(CC)c2)cc1F ZINC000158707573 520911256 /nfs/dbraw/zinc/91/12/56/520911256.db2.gz VIYIVHQJHRMWHJ-AWEZNQCLSA-N 1 0 318.440 3.739 20 10 DHCDRO CCc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157935701 521843797 /nfs/dbraw/zinc/84/37/97/521843797.db2.gz RONIKKGEXJBEKF-QGZVFWFLSA-N 1 0 324.468 3.936 20 10 DHCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1CO)c1ccccc1O ZINC000365160154 522761246 /nfs/dbraw/zinc/76/12/46/522761246.db2.gz WMXJGTBOZQFDQY-ZAAXVRCTSA-N 1 0 311.425 3.729 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000159623391 522772337 /nfs/dbraw/zinc/77/23/37/522772337.db2.gz FRYASCDUIMGNIY-MRXNPFEDSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160316476 522779445 /nfs/dbraw/zinc/77/94/45/522779445.db2.gz NXKCXBGIRSSWCL-DJJJIMSYSA-N 1 0 313.397 3.602 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1O ZINC000156869509 522820515 /nfs/dbraw/zinc/82/05/15/522820515.db2.gz BSAXQIKKQLFULX-IEBWSBKVSA-N 1 0 311.425 3.947 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000156444015 522839344 /nfs/dbraw/zinc/83/93/44/522839344.db2.gz UXJLCVFAAKDOBX-GOEBONIOSA-N 1 0 310.397 3.559 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1O ZINC000364380886 522951305 /nfs/dbraw/zinc/95/13/05/522951305.db2.gz SLLXFDDIRKBGDH-DOTOQJQBSA-N 1 0 313.445 3.768 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000266223317 525324019 /nfs/dbraw/zinc/32/40/19/525324019.db2.gz RUUQALBBMDADKI-AWEZNQCLSA-N 1 0 324.424 3.745 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(c3ccccc3CO)CC2)c1 ZINC000364917918 525338882 /nfs/dbraw/zinc/33/88/82/525338882.db2.gz YZRABEKCEMEAPA-UHFFFAOYSA-N 1 0 311.425 3.573 20 10 DHCDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000162852852 525434115 /nfs/dbraw/zinc/43/41/15/525434115.db2.gz GYNRJWRBQLSVOP-MRXNPFEDSA-N 1 0 312.461 3.691 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1O ZINC000189919112 525941081 /nfs/dbraw/zinc/94/10/81/525941081.db2.gz JNXSQALZPNZRJK-AWEZNQCLSA-N 1 0 304.415 3.503 20 10 DHCDRO c1ccc(C2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000105492624 526462138 /nfs/dbraw/zinc/46/21/38/526462138.db2.gz RTPHQMJEXNRCGK-UHFFFAOYSA-N 1 0 322.452 3.559 20 10 DHCDRO CC(C)(O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000274857782 535326159 /nfs/dbraw/zinc/32/61/59/535326159.db2.gz YYUXJXKXNYVUGU-UHFFFAOYSA-N 1 0 305.805 3.563 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc(CSC)cc2)c1O ZINC000285357123 535460558 /nfs/dbraw/zinc/46/05/58/535460558.db2.gz BEMDPOKMNSUZGJ-UHFFFAOYSA-N 1 0 317.454 3.944 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000274881644 535918210 /nfs/dbraw/zinc/91/82/10/535918210.db2.gz HQASYVUPKAZZKB-SFHVURJKSA-N 1 0 324.424 3.525 20 10 DHCDRO COc1ncc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1Cl ZINC000296409786 1013207166 /nfs/dbraw/zinc/20/71/66/1013207166.db2.gz KURSUMBLOZYOTC-GFCCVEGCSA-N 1 0 320.820 3.917 20 10 DHCDRO Cc1csc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000037988436 1013299387 /nfs/dbraw/zinc/29/93/87/1013299387.db2.gz HXZOJJLYHXVABE-UHFFFAOYSA-N 1 0 301.459 3.732 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000894431158 1013357899 /nfs/dbraw/zinc/35/78/99/1013357899.db2.gz NQJONHXJOVQTBP-DGCLKSJQSA-N 1 0 317.351 3.872 20 10 DHCDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894461199 1013378106 /nfs/dbraw/zinc/37/81/06/1013378106.db2.gz CYURPFHMYNVYSC-BZNIZROVSA-N 1 0 304.340 3.649 20 10 DHCDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894461201 1013378772 /nfs/dbraw/zinc/37/87/72/1013378772.db2.gz CYURPFHMYNVYSC-ZBEGNZNMSA-N 1 0 304.340 3.649 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1F ZINC001140129656 1013466731 /nfs/dbraw/zinc/46/67/31/1013466731.db2.gz HWURPMMCTRKATD-UHFFFAOYSA-N 1 0 302.393 3.619 20 10 DHCDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000155442022 1013706012 /nfs/dbraw/zinc/70/60/12/1013706012.db2.gz GJCHKWBDCHBSRG-CQSZACIVSA-N 1 0 311.429 3.562 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000079723026 1013904467 /nfs/dbraw/zinc/90/44/67/1013904467.db2.gz TXNPBNJKXTWHBP-QGZVFWFLSA-N 1 0 310.441 3.682 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000047828489 1014090484 /nfs/dbraw/zinc/09/04/84/1014090484.db2.gz YBKYVTCKBLGHKL-CQSZACIVSA-N 1 0 324.424 3.739 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ccoc4c3)cc2)CC1 ZINC001167434274 1014348137 /nfs/dbraw/zinc/34/81/37/1014348137.db2.gz GBGHEZBKUAOGCJ-UHFFFAOYSA-N 1 0 321.424 3.797 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)C(C)(F)F)c1O ZINC000696587441 1014449356 /nfs/dbraw/zinc/44/93/56/1014449356.db2.gz SGHUEZPUTQCWEG-UHFFFAOYSA-N 1 0 307.768 3.825 20 10 DHCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000126893230 1014500666 /nfs/dbraw/zinc/50/06/66/1014500666.db2.gz IGXZMIUBYJHTKF-INIZCTEOSA-N 1 0 305.805 3.601 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1NCCC2 ZINC000895141430 1014580195 /nfs/dbraw/zinc/58/01/95/1014580195.db2.gz ZUZMCOULUSOJQZ-UHFFFAOYSA-N 1 0 302.805 3.694 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]Cc1cccc(F)c1 ZINC000706885269 1014702489 /nfs/dbraw/zinc/70/24/89/1014702489.db2.gz UVFOHZGCFCQRQB-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121281315 1014981799 /nfs/dbraw/zinc/98/17/99/1014981799.db2.gz PTNZHDNHHPNLOE-KRWDZBQOSA-N 1 0 312.461 3.636 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000707129729 1015085927 /nfs/dbraw/zinc/08/59/27/1015085927.db2.gz RIYPILTVMMDWQI-FZMZJTMJSA-N 1 0 310.235 3.919 20 10 DHCDRO CC[C@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000738081760 1015159559 /nfs/dbraw/zinc/15/95/59/1015159559.db2.gz ODWDICSDGCSKOW-AWEZNQCLSA-N 1 0 311.381 3.902 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000895640724 1015239248 /nfs/dbraw/zinc/23/92/48/1015239248.db2.gz QYSNNWDKSFDEEC-OAHLLOKOSA-N 1 0 317.360 3.543 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(C)c1O ZINC000895638063 1015239967 /nfs/dbraw/zinc/23/99/67/1015239967.db2.gz BNZWHPXAQQEDMZ-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000895690722 1015258895 /nfs/dbraw/zinc/25/88/95/1015258895.db2.gz KYXFUGWSSPNPQF-SJLPKXTDSA-N 1 0 301.361 3.516 20 10 DHCDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178113975 1015286100 /nfs/dbraw/zinc/28/61/00/1015286100.db2.gz USYMTKCEQNQORF-APWZRJJASA-N 1 0 304.478 3.735 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846536 1015329747 /nfs/dbraw/zinc/32/97/47/1015329747.db2.gz PWGMHKZRQGFHDH-UYAOXDASSA-N 1 0 314.473 3.678 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229465 1015513878 /nfs/dbraw/zinc/51/38/78/1015513878.db2.gz ZBIYRWZYFIZXHC-LBPRGKRZSA-N 1 0 323.717 3.912 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000896531773 1015619433 /nfs/dbraw/zinc/61/94/33/1015619433.db2.gz OWLWIMIDDLXUQR-AWEZNQCLSA-N 1 0 302.443 3.612 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)O[C@H](C)[C@H]3C)c2c1 ZINC000783542354 1015760442 /nfs/dbraw/zinc/76/04/42/1015760442.db2.gz JYVIWGIVEHZARK-BFHYXJOUSA-N 1 0 315.413 3.552 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000281147253 1015835535 /nfs/dbraw/zinc/83/55/35/1015835535.db2.gz OULOKPHMFPCCGY-HUUCEWRRSA-N 1 0 324.415 3.609 20 10 DHCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(Br)cc1O ZINC000277010797 1015848875 /nfs/dbraw/zinc/84/88/75/1015848875.db2.gz BWHZCQRHGVFEAI-ZETCQYMHSA-N 1 0 306.150 3.603 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccccc1O ZINC000277097117 1015871026 /nfs/dbraw/zinc/87/10/26/1015871026.db2.gz GULJBDKSKXWBRT-OUCADQQQSA-N 1 0 302.422 3.826 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3ccc(N(C)C)c(C)c3)CCC2)n1 ZINC000294727732 1032131980 /nfs/dbraw/zinc/13/19/80/1032131980.db2.gz WBRHSPVVHKYPMC-UHFFFAOYSA-N 1 0 315.486 3.995 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1O ZINC000184835282 1016390506 /nfs/dbraw/zinc/39/05/06/1016390506.db2.gz LTICMHLIEYOKGQ-SJKOYZFVSA-N 1 0 320.383 3.624 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CC(C)C ZINC000184949274 1016463959 /nfs/dbraw/zinc/46/39/59/1016463959.db2.gz DENDQUUFIZUKMD-GJZGRUSLSA-N 1 0 322.449 3.512 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000934338764 1016469563 /nfs/dbraw/zinc/46/95/63/1016469563.db2.gz MPTPFCQRCYOGGJ-PXNSSMCTSA-N 1 0 314.473 3.676 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N(C)c2ccccc2)c1 ZINC000185025028 1016500770 /nfs/dbraw/zinc/50/07/70/1016500770.db2.gz IOWJZYGTZAHALQ-LSDHHAIUSA-N 1 0 314.429 3.576 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000185032471 1016503731 /nfs/dbraw/zinc/50/37/31/1016503731.db2.gz XHICAHRVYVXMRX-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1 ZINC000846972957 1032150595 /nfs/dbraw/zinc/15/05/95/1032150595.db2.gz ZBTYIHRHPJUTSI-SFHVURJKSA-N 1 0 309.457 3.836 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000185405449 1016895411 /nfs/dbraw/zinc/89/54/11/1016895411.db2.gz CXKJAGNNWUQZKZ-STQMWFEESA-N 1 0 301.361 3.748 20 10 DHCDRO CCc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000108927901 1016909215 /nfs/dbraw/zinc/90/92/15/1016909215.db2.gz GMCWJILSJOGRHX-KBPBESRZSA-N 1 0 305.462 3.861 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cc(F)ccc1O ZINC000185490188 1016947254 /nfs/dbraw/zinc/94/72/54/1016947254.db2.gz FYXPAXQBSUTVGK-SNVBAGLBSA-N 1 0 312.435 3.821 20 10 DHCDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc2ccccc2c1O ZINC000185540428 1016991666 /nfs/dbraw/zinc/99/16/66/1016991666.db2.gz VNPPYSZUVWADJR-ZDUSSCGKSA-N 1 0 315.413 3.928 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2cccc(C)c2)c1 ZINC000185568505 1017015037 /nfs/dbraw/zinc/01/50/37/1017015037.db2.gz DRSZVIMOPYKELX-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2C)c1 ZINC000185575215 1017024620 /nfs/dbraw/zinc/02/46/20/1017024620.db2.gz OOAGVLHCSHBBLR-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000185577290 1017028869 /nfs/dbraw/zinc/02/88/69/1017028869.db2.gz YQOIMDDCOJNSLG-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185578406 1017030097 /nfs/dbraw/zinc/03/00/97/1017030097.db2.gz JVWVIYZNTHRYAW-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185580272 1017030178 /nfs/dbraw/zinc/03/01/78/1017030178.db2.gz MIKCYWFQCVSOAJ-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897082526 1017034629 /nfs/dbraw/zinc/03/46/29/1017034629.db2.gz UCPMPEXMORYCEU-DYVFJYSZSA-N 1 0 309.837 3.649 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192744315 1017054391 /nfs/dbraw/zinc/05/43/91/1017054391.db2.gz FIWPCUFBYOQNLP-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000192744781 1017053655 /nfs/dbraw/zinc/05/36/55/1017053655.db2.gz ALTNKDHANDOXKM-AWEZNQCLSA-N 1 0 309.413 3.710 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC001171275930 1032212712 /nfs/dbraw/zinc/21/27/12/1032212712.db2.gz FZTZVKOCGIXKFV-UHFFFAOYSA-N 1 0 304.478 3.921 20 10 DHCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)n1 ZINC000475199218 1017078457 /nfs/dbraw/zinc/07/84/57/1017078457.db2.gz UEIWDPYYHHZHFP-CQSZACIVSA-N 1 0 323.440 3.611 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000323001188 1032264400 /nfs/dbraw/zinc/26/44/00/1032264400.db2.gz KTWOAOWKWSDKBF-SFHVURJKSA-N 1 0 316.420 3.704 20 10 DHCDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000323214815 1032339761 /nfs/dbraw/zinc/33/97/61/1032339761.db2.gz XZARQSNTXYRYRK-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1c(C)nn(C)c1C ZINC000772996880 1032477194 /nfs/dbraw/zinc/47/71/94/1032477194.db2.gz IFRXHZDOYNBNHI-KRWDZBQOSA-N 1 0 314.477 3.652 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000185682572 1017093341 /nfs/dbraw/zinc/09/33/41/1017093341.db2.gz OXIGFDDAXNAHBZ-UZLBHIALSA-N 1 0 311.473 3.534 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000773002770 1032521196 /nfs/dbraw/zinc/52/11/96/1032521196.db2.gz YVUWDEWNTHBOLS-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1N(C)C ZINC000773001421 1032518979 /nfs/dbraw/zinc/51/89/79/1032518979.db2.gz SDTKQEOIJFJWIK-INIZCTEOSA-N 1 0 311.473 3.978 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773011978 1032527297 /nfs/dbraw/zinc/52/72/97/1032527297.db2.gz BSMATPHUYLUWOV-HNNXBMFYSA-N 1 0 312.461 3.949 20 10 DHCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773013919 1032528392 /nfs/dbraw/zinc/52/83/92/1032528392.db2.gz GJDFMZLDHNFCAW-LPHOPBHVSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773033926 1032535057 /nfs/dbraw/zinc/53/50/57/1032535057.db2.gz BQYDUGULQAKFBK-MAUKXSAKSA-N 1 0 304.478 3.999 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2sccc2C)cc1 ZINC000773043535 1032537209 /nfs/dbraw/zinc/53/72/09/1032537209.db2.gz CPXUYKJDWYZLQP-YOEHRIQHSA-N 1 0 318.486 3.897 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000773059262 1032544097 /nfs/dbraw/zinc/54/40/97/1032544097.db2.gz MGRQDBYDRRKKFP-ZDUSSCGKSA-N 1 0 319.836 3.531 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773142440 1032574277 /nfs/dbraw/zinc/57/42/77/1032574277.db2.gz ZPDHBXCSILDXPM-IEAZIUSSSA-N 1 0 322.543 3.783 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192851005 1017107605 /nfs/dbraw/zinc/10/76/05/1017107605.db2.gz USTVVTIGGXDYLL-CHWSQXEVSA-N 1 0 313.401 3.603 20 10 DHCDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000261908523 1012057103 /nfs/dbraw/zinc/05/71/03/1012057103.db2.gz ZLNALNGGHAGUIW-ZDUSSCGKSA-N 1 0 324.428 3.603 20 10 DHCDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1O ZINC000037000052 1032627536 /nfs/dbraw/zinc/62/75/36/1032627536.db2.gz PCGMGBNVFKPSKN-LBPRGKRZSA-N 1 0 320.230 3.876 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(SC)cc2)c1 ZINC000036994257 1012760127 /nfs/dbraw/zinc/76/01/27/1012760127.db2.gz XWGLORTXLNMOIR-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000037127986 1012826286 /nfs/dbraw/zinc/82/62/86/1012826286.db2.gz QKCWFRJJGSEIQR-OAHLLOKOSA-N 1 0 301.411 3.728 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000926904944 1032666753 /nfs/dbraw/zinc/66/67/53/1032666753.db2.gz KERNGYLXDZBAKP-SLEUVZQESA-N 1 0 317.351 3.851 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1C ZINC000776959497 1032672894 /nfs/dbraw/zinc/67/28/94/1032672894.db2.gz MYBHGLJVIUPFAL-KRWDZBQOSA-N 1 0 319.445 3.565 20 10 DHCDRO Cc1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000857761317 1032676255 /nfs/dbraw/zinc/67/62/55/1032676255.db2.gz TTWRKFCJDGHIMF-UHFFFAOYSA-N 1 0 309.413 3.723 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185744712 1017144291 /nfs/dbraw/zinc/14/42/91/1017144291.db2.gz KCQPWDWWRKSJIO-BZNIZROVSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000115629613 1032684847 /nfs/dbraw/zinc/68/48/47/1032684847.db2.gz KTINICMCADYXJP-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000115629483 1032685099 /nfs/dbraw/zinc/68/50/99/1032685099.db2.gz YSTNCHPACSAMLW-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CSc2ccc(C)cc2)c1O ZINC000185796581 1017199890 /nfs/dbraw/zinc/19/98/90/1017199890.db2.gz CBCNKWMYKRZBGJ-CQSZACIVSA-N 1 0 317.454 3.980 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C1CC(OCc3ccccc3)C1)CC2 ZINC000716287489 1032693399 /nfs/dbraw/zinc/69/33/99/1032693399.db2.gz ZBYYSPJJUKFVJS-DAWZGUTISA-N 1 0 309.409 3.717 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(C)n1-c1ccccc1 ZINC000857871999 1032698098 /nfs/dbraw/zinc/69/80/98/1032698098.db2.gz ZXYYEWKBQMAXSK-LJQANCHMSA-N 1 0 320.440 3.984 20 10 DHCDRO COc1ccc(COCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185860879 1017456346 /nfs/dbraw/zinc/45/63/46/1017456346.db2.gz FDADTAPXGYCEQZ-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(CO)c2)cc1 ZINC000179108488 1017517299 /nfs/dbraw/zinc/51/72/99/1017517299.db2.gz WIRMIQWUBGHARA-INIZCTEOSA-N 1 0 312.457 3.876 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)c2cccnc2)cc1 ZINC000840975143 1017727317 /nfs/dbraw/zinc/72/73/17/1017727317.db2.gz LSXVGPVMKCEIFK-ALCCZGGFSA-N 1 0 309.457 3.728 20 10 DHCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701056879 1017993826 /nfs/dbraw/zinc/99/38/26/1017993826.db2.gz KKLZHOJNWIHYDO-SNVBAGLBSA-N 1 0 318.280 3.776 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000701921664 1018124073 /nfs/dbraw/zinc/12/40/73/1018124073.db2.gz ZKZKSQXBIYFDIH-UONOGXRCSA-N 1 0 322.449 3.607 20 10 DHCDRO C[N@H+](CCC1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000741774858 1018209476 /nfs/dbraw/zinc/20/94/76/1018209476.db2.gz IZBHCQCMJJHAPO-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000178849759 1018311010 /nfs/dbraw/zinc/31/10/10/1018311010.db2.gz ZOENEGHHUVIKAS-SFHVURJKSA-N 1 0 315.388 3.722 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000263716063 1032758178 /nfs/dbraw/zinc/75/81/78/1032758178.db2.gz VJGSPIQLGCQBCE-UHFFFAOYSA-N 1 0 322.452 3.776 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000764718255 1018355246 /nfs/dbraw/zinc/35/52/46/1018355246.db2.gz WLVKHNCDUUPHBA-INIZCTEOSA-N 1 0 320.440 3.777 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764933636 1018431420 /nfs/dbraw/zinc/43/14/20/1018431420.db2.gz QFUYVOVXKOOBDT-IXDOHACOSA-N 1 0 303.494 3.524 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922896002 1018440005 /nfs/dbraw/zinc/44/00/05/1018440005.db2.gz IDHPMNHTMZJKEX-JTAPILCXSA-N 1 0 314.473 3.561 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922895998 1018440361 /nfs/dbraw/zinc/44/03/61/1018440361.db2.gz IDHPMNHTMZJKEX-GFLQFSHBSA-N 1 0 314.473 3.561 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1C ZINC000764984771 1018445460 /nfs/dbraw/zinc/44/54/60/1018445460.db2.gz YADRFYWTTMHMLK-GOSISDBHSA-N 1 0 319.832 3.654 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCC1 ZINC000765117159 1018475116 /nfs/dbraw/zinc/47/51/16/1018475116.db2.gz BOEISAUANNZDRD-RBSFLKMASA-N 1 0 320.452 3.718 20 10 DHCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000765119203 1018477073 /nfs/dbraw/zinc/47/70/73/1018477073.db2.gz TUKIUQNHHZDQRW-RBSFLKMASA-N 1 0 308.441 3.573 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858100524 1032767162 /nfs/dbraw/zinc/76/71/62/1032767162.db2.gz SZDNIPAARDOYSV-CCKFTAQKSA-N 1 0 316.514 3.764 20 10 DHCDRO C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000843343296 1018510569 /nfs/dbraw/zinc/51/05/69/1018510569.db2.gz ZEHYBGSTTZWING-SNVBAGLBSA-N 1 0 305.249 3.869 20 10 DHCDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765322841 1018758528 /nfs/dbraw/zinc/75/85/28/1018758528.db2.gz MSJNLVHZLGXXRY-AWEZNQCLSA-N 1 0 306.425 3.503 20 10 DHCDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765347756 1018763041 /nfs/dbraw/zinc/76/30/41/1018763041.db2.gz GRNGJTHTRWZMRI-CYBMUJFWSA-N 1 0 308.853 3.627 20 10 DHCDRO CC(C)(C)c1coc(C[NH2+]CCCSc2nccs2)n1 ZINC000921755389 1018764338 /nfs/dbraw/zinc/76/43/38/1018764338.db2.gz SAAZBOITIBTDOZ-UHFFFAOYSA-N 1 0 311.476 3.701 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000765403339 1018778039 /nfs/dbraw/zinc/77/80/39/1018778039.db2.gz NIOVDPVVWBOYPZ-KRWDZBQOSA-N 1 0 323.484 3.809 20 10 DHCDRO Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858156786 1032787687 /nfs/dbraw/zinc/78/76/87/1032787687.db2.gz NLIFXDOWIKLRGB-UHFFFAOYSA-N 1 0 319.399 3.759 20 10 DHCDRO CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1O ZINC000186474057 1018827094 /nfs/dbraw/zinc/82/70/94/1018827094.db2.gz RQZNGXXHZLBOSO-INIZCTEOSA-N 1 0 309.413 3.562 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCC2CCOCC2)cc1F ZINC000765927268 1018832117 /nfs/dbraw/zinc/83/21/17/1018832117.db2.gz OHVRPIDUJFAFLS-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(Br)ccc1O ZINC000842928943 1018925591 /nfs/dbraw/zinc/92/55/91/1018925591.db2.gz MYIRQKODSOCKEU-YGOYTEALSA-N 1 0 316.264 3.699 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCOc3ccccc32)c1 ZINC000923026217 1018991119 /nfs/dbraw/zinc/99/11/19/1018991119.db2.gz SGJBPTUUHGTKAE-LJQANCHMSA-N 1 0 313.397 3.578 20 10 DHCDRO c1ccc2c(c1)CCSC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607364 1018994969 /nfs/dbraw/zinc/99/49/69/1018994969.db2.gz CDIPZHCPKTXTBU-SFHVURJKSA-N 1 0 311.450 3.742 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000765609434 1018998715 /nfs/dbraw/zinc/99/87/15/1018998715.db2.gz OHCLPJTYTNMQSI-LJQANCHMSA-N 1 0 310.441 3.928 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765682159 1019044504 /nfs/dbraw/zinc/04/45/04/1019044504.db2.gz KWTBBCWJZTWYSH-RBUKOAKNSA-N 1 0 304.478 3.735 20 10 DHCDRO CCn1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858292716 1032831202 /nfs/dbraw/zinc/83/12/02/1032831202.db2.gz DKMQGDRYLRXHQH-UHFFFAOYSA-N 1 0 308.429 3.600 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000186183474 1019464113 /nfs/dbraw/zinc/46/41/13/1019464113.db2.gz NIANBZKSLJGIGX-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1cc(C[NH2+]Cc2conc2C)c(C)n1-c1cccc(C)c1 ZINC000858293954 1032833593 /nfs/dbraw/zinc/83/35/93/1032833593.db2.gz SBRSSFGRRKYWDB-UHFFFAOYSA-N 1 0 309.413 3.989 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858299189 1032835183 /nfs/dbraw/zinc/83/51/83/1032835183.db2.gz QPWUWUJZTFFSER-AZUAARDMSA-N 1 0 309.409 3.716 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1Cl ZINC000132283613 1019529161 /nfs/dbraw/zinc/52/91/61/1019529161.db2.gz AJVZAJHDUWDUEG-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000858307126 1032839330 /nfs/dbraw/zinc/83/93/30/1032839330.db2.gz BDTQNVUHVLCCKY-UHFFFAOYSA-N 1 0 300.368 3.965 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168703400 1019599876 /nfs/dbraw/zinc/59/98/76/1019599876.db2.gz FMZJJRDHTZKFJD-HNNXBMFYSA-N 1 0 300.833 3.663 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186966 1019641479 /nfs/dbraw/zinc/64/14/79/1019641479.db2.gz JWXBHDIKUAYQFX-MEBBXXQBSA-N 1 0 304.390 3.808 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2ccns2)ccc1OC ZINC000858317374 1032844042 /nfs/dbraw/zinc/84/40/42/1032844042.db2.gz MRBMJVBUMGXEAW-GFCCVEGCSA-N 1 0 306.431 3.539 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000186189355 1019651069 /nfs/dbraw/zinc/65/10/69/1019651069.db2.gz IQPLCCYJPVTYTK-SOVGHPHASA-N 1 0 314.404 3.627 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C ZINC000727432101 1019711702 /nfs/dbraw/zinc/71/17/02/1019711702.db2.gz ZWGJIADZDHOLNW-OXJNMPFZSA-N 1 0 311.425 3.971 20 10 DHCDRO CN(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000727642763 1019744951 /nfs/dbraw/zinc/74/49/51/1019744951.db2.gz KQALWKXRRJVIIH-UHFFFAOYSA-N 1 0 323.484 3.903 20 10 DHCDRO CCC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1O ZINC000727830693 1019819221 /nfs/dbraw/zinc/81/92/21/1019819221.db2.gz HIYSOVGVWIQPMH-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)cn1 ZINC000922299025 1019979402 /nfs/dbraw/zinc/97/94/02/1019979402.db2.gz AQPHGWYOIPLFOC-FQEVSTJZSA-N 1 0 324.424 3.656 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000922472803 1020089708 /nfs/dbraw/zinc/08/97/08/1020089708.db2.gz OTRQERLWUMDKTA-PLNGDYQASA-N 1 0 313.470 3.501 20 10 DHCDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765991207 1020101361 /nfs/dbraw/zinc/10/13/61/1020101361.db2.gz BMOAHDFFZHDISP-CZUORRHYSA-N 1 0 310.869 3.644 20 10 DHCDRO Cc1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)oc1C ZINC000731845919 1020158297 /nfs/dbraw/zinc/15/82/97/1020158297.db2.gz NOKVXNKBNRZEFR-UHFFFAOYSA-N 1 0 300.402 3.942 20 10 DHCDRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765993029 1020165281 /nfs/dbraw/zinc/16/52/81/1020165281.db2.gz KPEPFHANNYERKX-GUYCJALGSA-N 1 0 322.880 3.788 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(O)c1OC ZINC000892422819 1020185972 /nfs/dbraw/zinc/18/59/72/1020185972.db2.gz JPCNKPNYSAEGBE-INIZCTEOSA-N 1 0 313.397 3.577 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000186325962 1020241820 /nfs/dbraw/zinc/24/18/20/1020241820.db2.gz BIVVVKWCZQYEJN-KSMMKXTCSA-N 1 0 316.420 3.873 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000922774550 1020257542 /nfs/dbraw/zinc/25/75/42/1020257542.db2.gz APQHPFBMJQHOLI-NVXWUHKLSA-N 1 0 303.352 3.839 20 10 DHCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732820562 1020288466 /nfs/dbraw/zinc/28/84/66/1020288466.db2.gz LJRZEAZNKBOJCX-MGPUTAFESA-N 1 0 313.441 3.946 20 10 DHCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732820566 1020288662 /nfs/dbraw/zinc/28/86/62/1020288662.db2.gz LJRZEAZNKBOJCX-YWZLYKJASA-N 1 0 313.441 3.946 20 10 DHCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000765808898 1020294722 /nfs/dbraw/zinc/29/47/22/1020294722.db2.gz LQVHCCQHHKPCNV-OALUTQOASA-N 1 0 316.489 3.969 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCS[C@H](C)C2)ccc1OC ZINC000922842524 1020298856 /nfs/dbraw/zinc/29/88/56/1020298856.db2.gz MUFNLQWGULAGHP-CJNGLKHVSA-N 1 0 309.475 3.605 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCS[C@H](C)C2)ccc1OC ZINC000922842525 1020299098 /nfs/dbraw/zinc/29/90/98/1020299098.db2.gz MUFNLQWGULAGHP-CZUORRHYSA-N 1 0 309.475 3.605 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000766006109 1020337902 /nfs/dbraw/zinc/33/79/02/1020337902.db2.gz ZNAZVSKIBQRKRO-HNNXBMFYSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000766006664 1020339948 /nfs/dbraw/zinc/33/99/48/1020339948.db2.gz OEALBLPBSNKNQF-CABCVRRESA-N 1 0 322.468 3.995 20 10 DHCDRO Cc1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000733198966 1020343586 /nfs/dbraw/zinc/34/35/86/1020343586.db2.gz NHDUORAKXJYCCT-UHFFFAOYSA-N 1 0 311.429 3.826 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000766008183 1020360090 /nfs/dbraw/zinc/36/00/90/1020360090.db2.gz QSJQZGBPZQQLJE-HOTGVXAUSA-N 1 0 304.478 3.856 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(F)c1 ZINC000733325427 1020371354 /nfs/dbraw/zinc/37/13/54/1020371354.db2.gz HSNGMULNVYAYJS-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCc2ccccc21 ZINC000733324014 1020371907 /nfs/dbraw/zinc/37/19/07/1020371907.db2.gz DHYWXHGVYMZYKA-ZDUSSCGKSA-N 1 0 316.832 3.586 20 10 DHCDRO Cc1cccc(OC[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733325490 1020374508 /nfs/dbraw/zinc/37/45/08/1020374508.db2.gz OSQVPLKEJZRMHR-OAHLLOKOSA-N 1 0 316.420 3.757 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2nccc3ccccc32)cc1F ZINC000733325281 1020374795 /nfs/dbraw/zinc/37/47/95/1020374795.db2.gz BUOHGUBWQHLUMV-UHFFFAOYSA-N 1 0 309.388 3.730 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2cccc3ccccc32)c1 ZINC000733328424 1020375939 /nfs/dbraw/zinc/37/59/39/1020375939.db2.gz UQMCGRWJDRGIAA-UHFFFAOYSA-N 1 0 320.392 3.582 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1C ZINC000733331831 1020376883 /nfs/dbraw/zinc/37/68/83/1020376883.db2.gz JFUZPQWJSBGWII-INIZCTEOSA-N 1 0 313.397 3.626 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171810822 1032897629 /nfs/dbraw/zinc/89/76/29/1032897629.db2.gz VYALFXSQVRONDZ-SFHVURJKSA-N 1 0 312.432 3.881 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000282701174 1020503981 /nfs/dbraw/zinc/50/39/81/1020503981.db2.gz KWYRSFCXGZVKBA-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c(O)cc1C ZINC000186848881 1020509310 /nfs/dbraw/zinc/50/93/10/1020509310.db2.gz NMMLKGDJBLVBSM-OAHLLOKOSA-N 1 0 318.442 3.811 20 10 DHCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000282451015 1020516337 /nfs/dbraw/zinc/51/63/37/1020516337.db2.gz ZTKPCFSHRJDIJO-MJGOQNOKSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(N(C)C)cc1 ZINC000765902149 1020549027 /nfs/dbraw/zinc/54/90/27/1020549027.db2.gz AIXSFUVASVFAAR-OALUTQOASA-N 1 0 303.494 3.668 20 10 DHCDRO COCc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccc1F ZINC000921710209 1020557953 /nfs/dbraw/zinc/55/79/53/1020557953.db2.gz KLWOADHRJGKSMD-UHFFFAOYSA-N 1 0 315.388 3.587 20 10 DHCDRO COc1cc(C)cc(C[NH+]2CCC(OC3CCCC3)CC2)c1O ZINC000164242756 1020646489 /nfs/dbraw/zinc/64/64/89/1020646489.db2.gz SMKUBOKTNIOYAE-UHFFFAOYSA-N 1 0 319.445 3.633 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)ccn1 ZINC000725845347 1020677896 /nfs/dbraw/zinc/67/78/96/1020677896.db2.gz YKLFTQPUBFHFMP-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000735321549 1020719021 /nfs/dbraw/zinc/71/90/21/1020719021.db2.gz VXNIYTHCUYGSDJ-UHFFFAOYSA-N 1 0 313.788 3.521 20 10 DHCDRO CC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C[C@@H]1CCOC1 ZINC000738079879 1020857040 /nfs/dbraw/zinc/85/70/40/1020857040.db2.gz DPPBFFKPXCNYRK-HNNXBMFYSA-N 1 0 305.462 3.857 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000858543156 1032938559 /nfs/dbraw/zinc/93/85/59/1032938559.db2.gz QMAMSYBLPKKEDZ-HNNXBMFYSA-N 1 0 308.429 3.678 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546269 1032940630 /nfs/dbraw/zinc/94/06/30/1032940630.db2.gz QSNWULPPVVVYBG-QSFXBCCZSA-N 1 0 314.473 3.895 20 10 DHCDRO Cc1ncsc1CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000738878565 1020976929 /nfs/dbraw/zinc/97/69/29/1020976929.db2.gz VTVJEQAUJLYRFA-UHFFFAOYSA-N 1 0 317.502 3.971 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000264532578 1032950439 /nfs/dbraw/zinc/95/04/39/1032950439.db2.gz JWFNCTRXCDYKMA-HRAATJIYSA-N 1 0 322.452 3.861 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(F)c(C)c2)cc1 ZINC000892614104 1021093952 /nfs/dbraw/zinc/09/39/52/1021093952.db2.gz DVYDVJJCDCTOFE-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000742160242 1021096126 /nfs/dbraw/zinc/09/61/26/1021096126.db2.gz VVZCEHHJBDXBEN-CQSZACIVSA-N 1 0 304.393 3.887 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2ccnc2)c1 ZINC000742391317 1021110660 /nfs/dbraw/zinc/11/06/60/1021110660.db2.gz HRAPXGNNIIXPNQ-OAHLLOKOSA-N 1 0 319.408 3.658 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2ccnc2)c1 ZINC000742391316 1021111118 /nfs/dbraw/zinc/11/11/18/1021111118.db2.gz HRAPXGNNIIXPNQ-HNNXBMFYSA-N 1 0 319.408 3.658 20 10 DHCDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1C ZINC000742373033 1021113021 /nfs/dbraw/zinc/11/30/21/1021113021.db2.gz MANPRWFPLVTCRN-UHFFFAOYSA-N 1 0 311.425 3.799 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000742371360 1021113338 /nfs/dbraw/zinc/11/33/38/1021113338.db2.gz SJAOVSXLSLNENN-COXVUDFISA-N 1 0 322.880 3.788 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000742376858 1021114332 /nfs/dbraw/zinc/11/43/32/1021114332.db2.gz AXHLMOLKKYKLGR-QGZVFWFLSA-N 1 0 321.804 3.532 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000742377714 1021115770 /nfs/dbraw/zinc/11/57/70/1021115770.db2.gz QKFUNLTUFFCDSL-SFHVURJKSA-N 1 0 318.848 3.883 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000176985659 1021191663 /nfs/dbraw/zinc/19/16/63/1021191663.db2.gz DYOYKVUXOQKOPS-CYBMUJFWSA-N 1 0 303.377 3.919 20 10 DHCDRO CCN(CC[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C)c1 ZINC000917392902 1021249602 /nfs/dbraw/zinc/24/96/02/1021249602.db2.gz UHJFQXVXMMBUFA-UHFFFAOYSA-N 1 0 310.441 3.546 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C[C@H](O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000733900816 1021265887 /nfs/dbraw/zinc/26/58/87/1021265887.db2.gz KKDIBKVCOMQWFY-KRWDZBQOSA-N 1 0 319.489 3.848 20 10 DHCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000743499060 1021307202 /nfs/dbraw/zinc/30/72/02/1021307202.db2.gz GLANBTQEBDTYSO-ZBFHGGJFSA-N 1 0 310.457 3.559 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154524992 1021364069 /nfs/dbraw/zinc/36/40/69/1021364069.db2.gz NOAXNTXRQNIGJC-RDJZCZTQSA-N 1 0 319.468 3.561 20 10 DHCDRO CCC(C)(C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000743839475 1021374097 /nfs/dbraw/zinc/37/40/97/1021374097.db2.gz ZQOFBJXCMHQWDD-UHFFFAOYSA-N 1 0 304.478 3.781 20 10 DHCDRO CC[N@H+](CCCSC)Cc1cc(Br)ccc1O ZINC000743871024 1021398462 /nfs/dbraw/zinc/39/84/62/1021398462.db2.gz MQFAOHHIFXEXFX-UHFFFAOYSA-N 1 0 318.280 3.730 20 10 DHCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000850128483 1021423821 /nfs/dbraw/zinc/42/38/21/1021423821.db2.gz CLWYULHZRVORSP-MJGOQNOKSA-N 1 0 302.462 3.580 20 10 DHCDRO COc1cc(C[NH2+]Cc2cccc(F)n2)c(O)c(C(C)(C)C)c1 ZINC000850221153 1021444543 /nfs/dbraw/zinc/44/45/43/1021444543.db2.gz CMZAETDIQDCLDC-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850326058 1021474744 /nfs/dbraw/zinc/47/47/44/1021474744.db2.gz SPWOPQRTISYPGW-YPMHNXCESA-N 1 0 309.475 3.682 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1nccn1C(C)C ZINC000850327963 1021474783 /nfs/dbraw/zinc/47/47/83/1021474783.db2.gz OGJDRCOJTPLAOL-MRXNPFEDSA-N 1 0 314.477 3.559 20 10 DHCDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(OC)c1O ZINC000850343547 1021480919 /nfs/dbraw/zinc/48/09/19/1021480919.db2.gz UNPFLCCNPYATNC-INIZCTEOSA-N 1 0 303.377 3.651 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cscc3Cl)C2)cc1 ZINC000850346784 1021481539 /nfs/dbraw/zinc/48/15/39/1021481539.db2.gz JZEJYSWRPIJHPH-CYBMUJFWSA-N 1 0 322.861 3.779 20 10 DHCDRO Cc1ccncc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850355562 1021483433 /nfs/dbraw/zinc/48/34/33/1021483433.db2.gz IXZWTAGEJHLCSL-UHFFFAOYSA-N 1 0 309.457 3.713 20 10 DHCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850351722 1021483844 /nfs/dbraw/zinc/48/38/44/1021483844.db2.gz RUPFYQZOCNBFGM-SFHVURJKSA-N 1 0 315.505 3.639 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000850362571 1021487802 /nfs/dbraw/zinc/48/78/02/1021487802.db2.gz PHPAMGPHZVMQPD-GOSISDBHSA-N 1 0 317.360 3.747 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850374971 1021496414 /nfs/dbraw/zinc/49/64/14/1021496414.db2.gz OWQGLNBBXMELNF-BGEOSOQGSA-N 1 0 308.425 3.534 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386957 1021502651 /nfs/dbraw/zinc/50/26/51/1021502651.db2.gz NHORKDJZOVJXBX-YADGQWAMSA-N 1 0 308.425 3.749 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1O ZINC000850387834 1021505327 /nfs/dbraw/zinc/50/53/27/1021505327.db2.gz ANNNNCIQLUNGBP-HZPDHXFCSA-N 1 0 319.445 3.617 20 10 DHCDRO OC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC1CC1 ZINC000850388994 1021505649 /nfs/dbraw/zinc/50/56/49/1021505649.db2.gz RIZHLENTKYUKPB-MRXNPFEDSA-N 1 0 311.425 3.557 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)C)cc3)CCC2)c1 ZINC000850405586 1021513329 /nfs/dbraw/zinc/51/33/29/1021513329.db2.gz VXJJRZCJEUOHFQ-UHFFFAOYSA-N 1 0 310.441 3.930 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000850406613 1021514411 /nfs/dbraw/zinc/51/44/11/1021514411.db2.gz NHRDRNKHRDEHAU-JFIYKMOQSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000850408945 1021515509 /nfs/dbraw/zinc/51/55/09/1021515509.db2.gz WCGVOEVSWGVAGF-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)CC1 ZINC000850432616 1021529419 /nfs/dbraw/zinc/52/94/19/1021529419.db2.gz CLYPSIRHBFPVMC-IBGZPJMESA-N 1 0 324.472 3.744 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c(O)c(C(C)(C)C)c1 ZINC000744438031 1021547238 /nfs/dbraw/zinc/54/72/38/1021547238.db2.gz OUTDAEVSJAQGCZ-SJORKVTESA-N 1 0 316.489 3.667 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000850474839 1021555174 /nfs/dbraw/zinc/55/51/74/1021555174.db2.gz QUGIVPAIJQASFB-NVXWUHKLSA-N 1 0 306.519 3.867 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(OC)ccc1O)c1nc(C)cs1 ZINC000182226619 1021559370 /nfs/dbraw/zinc/55/93/70/1021559370.db2.gz BUXATCUDRGWUPV-INIZCTEOSA-N 1 0 306.431 3.581 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3csc(C)c3)C2)cc1 ZINC000850485624 1021559285 /nfs/dbraw/zinc/55/92/85/1021559285.db2.gz ACOOSOQVBFSZMV-ZBFHGGJFSA-N 1 0 316.470 3.995 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000850490232 1021560653 /nfs/dbraw/zinc/56/06/53/1021560653.db2.gz XTSZWGALCXVCFG-JXFKEZNVSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C2)cc1 ZINC000850488829 1021561073 /nfs/dbraw/zinc/56/10/73/1021561073.db2.gz ULOLMYZGDFECGP-QWHCGFSZSA-N 1 0 312.404 3.543 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C2)cc1 ZINC000850489447 1021561908 /nfs/dbraw/zinc/56/19/08/1021561908.db2.gz UQLHLTHKQBRNGC-GJZGRUSLSA-N 1 0 322.518 3.784 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(C)cc1O ZINC000850504883 1021565543 /nfs/dbraw/zinc/56/55/43/1021565543.db2.gz HMBWYAUDBVPDSH-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850508197 1021568656 /nfs/dbraw/zinc/56/86/56/1021568656.db2.gz SBNQVNWHAYERDE-IUODEOHRSA-N 1 0 300.377 3.615 20 10 DHCDRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850523086 1021576036 /nfs/dbraw/zinc/57/60/36/1021576036.db2.gz YBJHUVJQVIIQKB-XHDPSFHLSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000850531193 1021584348 /nfs/dbraw/zinc/58/43/48/1021584348.db2.gz GXKNBONSBCWDQN-IIAWOOMASA-N 1 0 313.397 3.661 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536842 1021590455 /nfs/dbraw/zinc/59/04/55/1021590455.db2.gz KHWJOQQWZRXLBN-GOEBONIOSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCCCC2)cc1 ZINC000850546771 1021598836 /nfs/dbraw/zinc/59/88/36/1021598836.db2.gz ORMTVQKIOHDIDM-ZYSHUDEJSA-N 1 0 314.473 3.631 20 10 DHCDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850553652 1021599934 /nfs/dbraw/zinc/59/99/34/1021599934.db2.gz AANYIQUINAAYER-AGRHKRQWSA-N 1 0 317.404 3.940 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850568508 1021611333 /nfs/dbraw/zinc/61/13/33/1021611333.db2.gz ZKCQCFXGVKSQOE-HXUWFJFHSA-N 1 0 316.489 3.706 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)CC2 ZINC000850570300 1021612566 /nfs/dbraw/zinc/61/25/66/1021612566.db2.gz UHNRDBOHEDGOGM-CYBMUJFWSA-N 1 0 323.314 3.910 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C2CCCCC2)c1 ZINC000850569498 1021612911 /nfs/dbraw/zinc/61/29/11/1021612911.db2.gz GOLPGMIGYJKIKO-ACJLOTCBSA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573058 1021616735 /nfs/dbraw/zinc/61/67/35/1021616735.db2.gz TZWNQFLKYTVPOW-HOTGVXAUSA-N 1 0 312.461 3.822 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000154821169 1021656197 /nfs/dbraw/zinc/65/61/97/1021656197.db2.gz UKVXKGRSDOKNIC-IEBWSBKVSA-N 1 0 312.457 3.606 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1F ZINC000776494968 1021658439 /nfs/dbraw/zinc/65/84/39/1021658439.db2.gz SXPABUPHEJOREF-SFHVURJKSA-N 1 0 322.468 3.559 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000182450887 1021658725 /nfs/dbraw/zinc/65/87/25/1021658725.db2.gz BCRSNGDEGPDAIP-ZDUSSCGKSA-N 1 0 315.417 3.563 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000182451055 1021658747 /nfs/dbraw/zinc/65/87/47/1021658747.db2.gz WSHYOBMREHOTSB-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000776499619 1021681410 /nfs/dbraw/zinc/68/14/10/1021681410.db2.gz WXCXDSPCAPCYBE-DJJJIMSYSA-N 1 0 315.388 3.626 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(F)cc2C)cc1F ZINC000892947280 1021719029 /nfs/dbraw/zinc/71/90/29/1021719029.db2.gz BICLFZLLGHSKIH-UHFFFAOYSA-N 1 0 319.399 3.804 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000065430398 1021884872 /nfs/dbraw/zinc/88/48/72/1021884872.db2.gz PUKNCUAIDLHLEL-HNNXBMFYSA-N 1 0 314.404 3.513 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000122748972 1022035412 /nfs/dbraw/zinc/03/54/12/1022035412.db2.gz MJMXMKSANZNSSA-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000920184125 1022072465 /nfs/dbraw/zinc/07/24/65/1022072465.db2.gz ZKNXRUCVKVNAAC-FQEVSTJZSA-N 1 0 324.468 3.839 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766368184 1022079463 /nfs/dbraw/zinc/07/94/63/1022079463.db2.gz YFMRAXUUFBGNAK-LPHOPBHVSA-N 1 0 304.478 3.999 20 10 DHCDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766383330 1022084733 /nfs/dbraw/zinc/08/47/33/1022084733.db2.gz VYYZUHMWKIEYDR-AWEZNQCLSA-N 1 0 306.450 3.525 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC000183333119 1022110819 /nfs/dbraw/zinc/11/08/19/1022110819.db2.gz NRIIIBJKVZUVEP-SFHVURJKSA-N 1 0 307.397 3.819 20 10 DHCDRO CCC[N@H+](CCOc1ccccc1F)Cc1ccccc1O ZINC000750875785 1022131173 /nfs/dbraw/zinc/13/11/73/1022131173.db2.gz XZVWENNTONXKOT-UHFFFAOYSA-N 1 0 303.377 3.822 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCc2sccc2C1 ZINC000183455849 1022147565 /nfs/dbraw/zinc/14/75/65/1022147565.db2.gz QTUNFNUWTZLSSZ-ZIAGYGMSSA-N 1 0 316.470 3.551 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000852598560 1022148433 /nfs/dbraw/zinc/14/84/33/1022148433.db2.gz XCEMFYYLCQKUHP-PKOBYXMFSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000183517180 1022170183 /nfs/dbraw/zinc/17/01/83/1022170183.db2.gz UQLPIBURRHGGGK-ZBFHGGJFSA-N 1 0 314.404 3.851 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000183538883 1022175594 /nfs/dbraw/zinc/17/55/94/1022175594.db2.gz SRYWTPXNWGHLID-HUUCEWRRSA-N 1 0 307.397 3.990 20 10 DHCDRO CC[C@@H]1C[C@H](C[N@H+](CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780754121 1022246090 /nfs/dbraw/zinc/24/60/90/1022246090.db2.gz MUCHSJNWVBJDKO-IEBWSBKVSA-N 1 0 304.478 3.780 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546305 1022289440 /nfs/dbraw/zinc/28/94/40/1022289440.db2.gz ZAOIUPAJRIAITE-MRXNPFEDSA-N 1 0 301.361 3.795 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2cc(C)ccc2F)c1O ZINC000766633453 1022321395 /nfs/dbraw/zinc/32/13/95/1022321395.db2.gz UCCSFPKRWCDYEZ-UHFFFAOYSA-N 1 0 303.377 3.789 20 10 DHCDRO CCN1CCC([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001169244273 1022322599 /nfs/dbraw/zinc/32/25/99/1022322599.db2.gz LBAAEIFFWPFMQD-IBGZPJMESA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000363857611 1022344562 /nfs/dbraw/zinc/34/45/62/1022344562.db2.gz DAFZTYWJRPVLFD-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000183804528 1022411523 /nfs/dbraw/zinc/41/15/23/1022411523.db2.gz XYJGKOQWNYUZEC-INIZCTEOSA-N 1 0 319.445 3.563 20 10 DHCDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000854222381 1022433558 /nfs/dbraw/zinc/43/35/58/1022433558.db2.gz FCVZMLWDENATFF-SECBINFHSA-N 1 0 303.233 3.621 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1C ZINC000854221915 1022433643 /nfs/dbraw/zinc/43/36/43/1022433643.db2.gz BXHWEVMEOOKUPK-PWIZWCRZSA-N 1 0 324.468 3.805 20 10 DHCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112380386 1022499746 /nfs/dbraw/zinc/49/97/46/1022499746.db2.gz UXGUNVURRFDMSU-LPHOPBHVSA-N 1 0 304.478 3.564 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000697824517 1033059186 /nfs/dbraw/zinc/05/91/86/1033059186.db2.gz PIUPDKMSWWJUOJ-HIFRSBDPSA-N 1 0 322.449 3.594 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1OC ZINC000179682240 1022507273 /nfs/dbraw/zinc/50/72/73/1022507273.db2.gz GYIRHIXMMOMECL-AWEZNQCLSA-N 1 0 315.413 3.911 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000185638012 1022509302 /nfs/dbraw/zinc/50/93/02/1022509302.db2.gz LZNDUTZDWXBSQE-UHFFFAOYSA-N 1 0 309.413 3.612 20 10 DHCDRO Cc1ccc(O)c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000179788416 1022538578 /nfs/dbraw/zinc/53/85/78/1022538578.db2.gz LKDVUVQYBXNIQG-UHFFFAOYSA-N 1 0 320.776 3.894 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000273616639 1022544762 /nfs/dbraw/zinc/54/47/62/1022544762.db2.gz XNBAYMQTKWUSRB-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776770420 1022559442 /nfs/dbraw/zinc/55/94/42/1022559442.db2.gz APVRDSCIQRISSH-QGZVFWFLSA-N 1 0 303.446 3.609 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1 ZINC000180026714 1022610743 /nfs/dbraw/zinc/61/07/43/1022610743.db2.gz KONWCAXIVSAZAU-KRWDZBQOSA-N 1 0 313.397 3.747 20 10 DHCDRO O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O)c1ccccc1 ZINC000180201208 1022661433 /nfs/dbraw/zinc/66/14/33/1022661433.db2.gz KKKJOLLKUUDUIX-QGZVFWFLSA-N 1 0 313.372 3.769 20 10 DHCDRO Cc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000184063960 1022698137 /nfs/dbraw/zinc/69/81/37/1022698137.db2.gz KIXMVGCIVGSXNZ-UHFFFAOYSA-N 1 0 300.358 3.634 20 10 DHCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000318995241 1022730421 /nfs/dbraw/zinc/73/04/21/1022730421.db2.gz NMSXKSWJEMIZKW-HUUCEWRRSA-N 1 0 300.446 3.926 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000076275411 1022754816 /nfs/dbraw/zinc/75/48/16/1022754816.db2.gz CDEZITOBEOZRKG-UHFFFAOYSA-N 1 0 324.193 3.626 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876523488 1033083026 /nfs/dbraw/zinc/08/30/26/1033083026.db2.gz YAOPQCZFFDZXGN-UHFFFAOYSA-N 1 0 316.489 3.802 20 10 DHCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000114508668 1022842711 /nfs/dbraw/zinc/84/27/11/1022842711.db2.gz RUVIXWUXDMFXFF-OAQYLSRUSA-N 1 0 324.468 3.674 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1F ZINC000856802309 1022871859 /nfs/dbraw/zinc/87/18/59/1022871859.db2.gz MVVHIHALLPVHJM-CYBMUJFWSA-N 1 0 300.368 3.807 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000856803274 1022872012 /nfs/dbraw/zinc/87/20/12/1022872012.db2.gz CWNUYHDRWIZVON-NQHOJNORSA-N 1 0 313.272 3.939 20 10 DHCDRO CC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccc(N(C)C)cc1 ZINC000768134928 1022901266 /nfs/dbraw/zinc/90/12/66/1022901266.db2.gz YABLQKKEOVXXMZ-UHFFFAOYSA-N 1 0 322.456 3.731 20 10 DHCDRO CC(C)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768138158 1022904285 /nfs/dbraw/zinc/90/42/85/1022904285.db2.gz PJFXHQSHAGNNMU-UHFFFAOYSA-N 1 0 324.468 3.975 20 10 DHCDRO C[N@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1O ZINC000768159931 1022906221 /nfs/dbraw/zinc/90/62/21/1022906221.db2.gz IUGJNRLZTSKKFY-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(F)c2)c1 ZINC000768200399 1022912610 /nfs/dbraw/zinc/91/26/10/1022912610.db2.gz NLFICSXPHSGLGT-UHFFFAOYSA-N 1 0 319.376 3.571 20 10 DHCDRO CCOc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)c(O)c1 ZINC000768211861 1022916755 /nfs/dbraw/zinc/91/67/55/1022916755.db2.gz GGQGVIWSKLYCSO-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000768237303 1022924192 /nfs/dbraw/zinc/92/41/92/1022924192.db2.gz NUODUUJQAIIUNR-UHFFFAOYSA-N 1 0 305.422 3.815 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000768213213 1022928178 /nfs/dbraw/zinc/92/81/78/1022928178.db2.gz ONRDZBHNQCNZOB-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cnn3ccccc23)C2CC2)cc1 ZINC000768257749 1022932022 /nfs/dbraw/zinc/93/20/22/1022932022.db2.gz PBPVLWIVIWQJNX-UHFFFAOYSA-N 1 0 320.440 3.565 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCCC1 ZINC000768237395 1022933599 /nfs/dbraw/zinc/93/35/99/1022933599.db2.gz MTWPHEHTSPFTCS-UHFFFAOYSA-N 1 0 320.452 3.674 20 10 DHCDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768261229 1022936330 /nfs/dbraw/zinc/93/63/30/1022936330.db2.gz AHTNLKADCVTLOK-DOTOQJQBSA-N 1 0 320.452 3.673 20 10 DHCDRO CCOc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c(O)c1 ZINC000857068505 1022940531 /nfs/dbraw/zinc/94/05/31/1022940531.db2.gz WZNXJKCOTTUKEB-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000768296667 1022942392 /nfs/dbraw/zinc/94/23/92/1022942392.db2.gz YHOAIOQBFICMHD-RYGJVYDSSA-N 1 0 316.489 3.999 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000768303623 1022942956 /nfs/dbraw/zinc/94/29/56/1022942956.db2.gz ZUAGLOILFPKAAO-UHFFFAOYSA-N 1 0 303.406 3.569 20 10 DHCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1OC ZINC000768443090 1022967090 /nfs/dbraw/zinc/96/70/90/1022967090.db2.gz YSXKASRHNPBQPI-CYBMUJFWSA-N 1 0 313.397 3.529 20 10 DHCDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768447389 1022967537 /nfs/dbraw/zinc/96/75/37/1022967537.db2.gz OSGNHUGWNUXBRO-HIFRSBDPSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1OC ZINC000768443093 1022967799 /nfs/dbraw/zinc/96/77/99/1022967799.db2.gz YSXKASRHNPBQPI-ZDUSSCGKSA-N 1 0 313.397 3.529 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)C)CC2)cc1OC ZINC000768445034 1022968228 /nfs/dbraw/zinc/96/82/28/1022968228.db2.gz DPDUOUAAPDXJRR-AWEZNQCLSA-N 1 0 307.434 3.668 20 10 DHCDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768419965 1022968805 /nfs/dbraw/zinc/96/88/05/1022968805.db2.gz BAZIRFHBJIPFTQ-CQSZACIVSA-N 1 0 317.433 3.815 20 10 DHCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1 ZINC000768465364 1022974229 /nfs/dbraw/zinc/97/42/29/1022974229.db2.gz HJTARZOGVHTBBI-CABCVRRESA-N 1 0 309.475 3.815 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000768463846 1022974321 /nfs/dbraw/zinc/97/43/21/1022974321.db2.gz YAGVMQIJKRSVQL-QZTJIDSGSA-N 1 0 315.457 3.520 20 10 DHCDRO CC(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000768650996 1023004276 /nfs/dbraw/zinc/00/42/76/1023004276.db2.gz KBBOVEKONVVIPQ-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000123565516 1023047294 /nfs/dbraw/zinc/04/72/94/1023047294.db2.gz GEDSCIRNDBURIB-GOSISDBHSA-N 1 0 313.397 3.998 20 10 DHCDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)c1 ZINC000768936818 1023059610 /nfs/dbraw/zinc/05/96/10/1023059610.db2.gz PFKGEMMIVANCRG-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756591173 1023095780 /nfs/dbraw/zinc/09/57/80/1023095780.db2.gz QCAMBQRGPMPWBO-BBRMVZONSA-N 1 0 305.462 3.719 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1c(O)cccc1OC ZINC000769201073 1023100814 /nfs/dbraw/zinc/10/08/14/1023100814.db2.gz PZPQCPJSJUKTIQ-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1F ZINC000769228993 1023103929 /nfs/dbraw/zinc/10/39/29/1023103929.db2.gz HOHPQSAMKZBBJA-QGZVFWFLSA-N 1 0 313.420 3.578 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000769244330 1023107762 /nfs/dbraw/zinc/10/77/62/1023107762.db2.gz NGGOEGFIXZGBKN-LEWJYISDSA-N 1 0 324.468 3.841 20 10 DHCDRO CC(C)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000876611774 1033106737 /nfs/dbraw/zinc/10/67/37/1033106737.db2.gz RETHXRYADCGWQO-UHFFFAOYSA-N 1 0 304.478 3.514 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000769380291 1023136397 /nfs/dbraw/zinc/13/63/97/1023136397.db2.gz FWYPTWNSZMPOPD-NSHDSACASA-N 1 0 306.431 3.667 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000769416615 1023144732 /nfs/dbraw/zinc/14/47/32/1023144732.db2.gz DJOBIQGHNLTRHC-CABCVRRESA-N 1 0 320.452 3.892 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000769491792 1023164585 /nfs/dbraw/zinc/16/45/85/1023164585.db2.gz CHGSIOHDDPOLBZ-HXUWFJFHSA-N 1 0 322.452 3.990 20 10 DHCDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756607801 1023167548 /nfs/dbraw/zinc/16/75/48/1023167548.db2.gz ILFSPUUVEZMZRR-UONOGXRCSA-N 1 0 303.377 3.958 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000769502889 1023167977 /nfs/dbraw/zinc/16/79/77/1023167977.db2.gz DTWIKMXFBABZMX-LJQANCHMSA-N 1 0 309.457 3.829 20 10 DHCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000769499877 1023168954 /nfs/dbraw/zinc/16/89/54/1023168954.db2.gz XFKXPFWWXGRCIE-OAHLLOKOSA-N 1 0 319.832 3.819 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000769514275 1023172378 /nfs/dbraw/zinc/17/23/78/1023172378.db2.gz IJYGEJDXUGWMCQ-DLBZAZTESA-N 1 0 320.452 3.530 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1O ZINC000769514441 1023172405 /nfs/dbraw/zinc/17/24/05/1023172405.db2.gz NBCYOABVQGXCNY-UHFFFAOYSA-N 1 0 319.445 3.716 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000769523590 1023173845 /nfs/dbraw/zinc/17/38/45/1023173845.db2.gz FQBPYRIODZHMGX-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO CCC1(C)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876661518 1033116969 /nfs/dbraw/zinc/11/69/69/1033116969.db2.gz GNXHQPOIOQYQLG-UHFFFAOYSA-N 1 0 316.489 3.660 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000195078971 1023211244 /nfs/dbraw/zinc/21/12/44/1023211244.db2.gz MPRXLEMVVUQDHS-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO C[N@H+](CCOc1ccc(F)cc1Cl)Cc1ccccc1O ZINC000769914839 1023232969 /nfs/dbraw/zinc/23/29/69/1023232969.db2.gz ZHNBDWGMGJLENQ-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000769873469 1023237178 /nfs/dbraw/zinc/23/71/78/1023237178.db2.gz ILGDHBZHGDZMCC-SNVBAGLBSA-N 1 0 311.476 3.835 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000769930542 1023250363 /nfs/dbraw/zinc/25/03/63/1023250363.db2.gz LFFVJNLJWRFVTP-OXQOHEQNSA-N 1 0 312.457 3.785 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986274 1023255530 /nfs/dbraw/zinc/25/55/30/1023255530.db2.gz HRLNLHSZNDWPLM-SJKOYZFVSA-N 1 0 317.454 3.717 20 10 DHCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756635482 1023292252 /nfs/dbraw/zinc/29/22/52/1023292252.db2.gz GBOOILQUEKTBTD-BLLLJJGKSA-N 1 0 305.805 3.738 20 10 DHCDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccccc1O ZINC000770510087 1023315944 /nfs/dbraw/zinc/31/59/44/1023315944.db2.gz IVYREBAXEXJIAX-UHFFFAOYSA-N 1 0 320.230 3.829 20 10 DHCDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000770510036 1023316333 /nfs/dbraw/zinc/31/63/33/1023316333.db2.gz VURWMPZSMLUGSI-LPHOPBHVSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1O ZINC000771841400 1023473902 /nfs/dbraw/zinc/47/39/02/1023473902.db2.gz WFKFZMJQXKEZAQ-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000772471316 1023558159 /nfs/dbraw/zinc/55/81/59/1023558159.db2.gz GGFXJZMLAYZDSO-NEWSRXKRSA-N 1 0 304.478 3.997 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000772470232 1023558514 /nfs/dbraw/zinc/55/85/14/1023558514.db2.gz CBZYLBNGJOGMKK-KVSKMBFKSA-N 1 0 304.478 3.997 20 10 DHCDRO c1[nH]c2ccccc2c1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000236722771 1023577730 /nfs/dbraw/zinc/57/77/30/1023577730.db2.gz CHRVIFZGMMYQQQ-UHFFFAOYSA-N 1 0 306.409 3.825 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cscc2C)ccc1OC ZINC000785523192 1023587126 /nfs/dbraw/zinc/58/71/26/1023587126.db2.gz VKMPCAIUWKRVKS-UHFFFAOYSA-N 1 0 305.443 3.891 20 10 DHCDRO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000785557661 1023590562 /nfs/dbraw/zinc/59/05/62/1023590562.db2.gz AHTWVSMWADWWKB-HRAATJIYSA-N 1 0 324.468 3.711 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000164371309 1023613816 /nfs/dbraw/zinc/61/38/16/1023613816.db2.gz RKAGYBXBOHMVPY-CQSZACIVSA-N 1 0 306.425 3.503 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000785770195 1023617841 /nfs/dbraw/zinc/61/78/41/1023617841.db2.gz WYYZQLXQNYLRKH-UHFFFAOYSA-N 1 0 323.465 3.962 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000756736916 1023645311 /nfs/dbraw/zinc/64/53/11/1023645311.db2.gz PTSLDKBGNHOVAB-LXIYXOSZSA-N 1 0 303.377 3.612 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000785987260 1023648869 /nfs/dbraw/zinc/64/88/69/1023648869.db2.gz GYQRZWGEMBPVCB-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CN(c1ccc(OCc2ccccc2F)cc1)C(C)(C)C[NH3+] ZINC001170058896 1023698863 /nfs/dbraw/zinc/69/88/63/1023698863.db2.gz GRHQYLCNYAWHQI-UHFFFAOYSA-N 1 0 302.393 3.578 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000786915078 1023736600 /nfs/dbraw/zinc/73/66/00/1023736600.db2.gz DMVHCBBZLZOMAW-YJBOKZPZSA-N 1 0 310.441 3.797 20 10 DHCDRO CO[C@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000786952268 1023740387 /nfs/dbraw/zinc/74/03/87/1023740387.db2.gz ZSLVKKANGUKMEU-PRHODGIISA-N 1 0 311.731 3.664 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)cc1 ZINC000786954642 1023740932 /nfs/dbraw/zinc/74/09/32/1023740932.db2.gz VWWVVVYCFFWDQP-SWLSCSKDSA-N 1 0 318.383 3.761 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)cc1 ZINC000786954643 1023741500 /nfs/dbraw/zinc/74/15/00/1023741500.db2.gz VWWVVVYCFFWDQP-WFASDCNBSA-N 1 0 318.383 3.761 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000746717646 1023833787 /nfs/dbraw/zinc/83/37/87/1023833787.db2.gz YQRVHNRZLSXFNW-KRWDZBQOSA-N 1 0 304.393 3.930 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nccn2CC(C)C)c(O)c1 ZINC000788616197 1023914591 /nfs/dbraw/zinc/91/45/91/1023914591.db2.gz YEENGUDAPDSJSM-HNNXBMFYSA-N 1 0 301.434 3.712 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000788671695 1023922431 /nfs/dbraw/zinc/92/24/31/1023922431.db2.gz NGBOWPVDJVKFDQ-ULQDDVLXSA-N 1 0 305.462 3.991 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1 ZINC000788774269 1023938223 /nfs/dbraw/zinc/93/82/23/1023938223.db2.gz FQJOJVPBWHJYLW-DOTOQJQBSA-N 1 0 302.462 3.677 20 10 DHCDRO CCOC1CC(CC[NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000788969147 1023954755 /nfs/dbraw/zinc/95/47/55/1023954755.db2.gz HSDWHBLBCKJQQQ-UHFFFAOYSA-N 1 0 322.468 3.967 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1C(C)C ZINC000789506801 1024103488 /nfs/dbraw/zinc/10/34/88/1024103488.db2.gz NPTOLEPEWTZIJA-IEBWSBKVSA-N 1 0 303.446 3.967 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876937416 1033187167 /nfs/dbraw/zinc/18/71/67/1033187167.db2.gz VVARHRWLPCMBEL-UHFFFAOYSA-N 1 0 312.413 3.729 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2O1 ZINC000268801127 1024164097 /nfs/dbraw/zinc/16/40/97/1024164097.db2.gz BCIPPTDCZWGTCO-HNNXBMFYSA-N 1 0 301.361 3.923 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000269005635 1024218245 /nfs/dbraw/zinc/21/82/45/1024218245.db2.gz WBFVWPBUDIQKMR-HNNXBMFYSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)COC2 ZINC000269048699 1024229683 /nfs/dbraw/zinc/22/96/83/1024229683.db2.gz VIFMWVWORUAHKR-CYBMUJFWSA-N 1 0 314.404 3.773 20 10 DHCDRO O=C(c1cccc2c1CC[NH2+]C2)N(CC1CCC1)c1ccccc1 ZINC000662638038 1024290572 /nfs/dbraw/zinc/29/05/72/1024290572.db2.gz XFUFPQLYHLFSAD-UHFFFAOYSA-N 1 0 320.436 3.779 20 10 DHCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000270113833 1024351806 /nfs/dbraw/zinc/35/18/06/1024351806.db2.gz NKLSYNADNVLEJK-MQJDWESPSA-N 1 0 323.845 3.634 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278898608 1024383258 /nfs/dbraw/zinc/38/32/58/1024383258.db2.gz ZDHGKKKDRTUQGM-GUBZILKMSA-N 1 0 304.217 3.775 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)c1ccccc1O ZINC000883331289 1024385338 /nfs/dbraw/zinc/38/53/38/1024385338.db2.gz VPCDEOXIEGAXAS-CJNGLKHVSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000883331290 1024385558 /nfs/dbraw/zinc/38/55/58/1024385558.db2.gz VPCDEOXIEGAXAS-CZUORRHYSA-N 1 0 313.397 3.965 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(Br)o1 ZINC000790965017 1024406773 /nfs/dbraw/zinc/40/67/73/1024406773.db2.gz ZLFBAUHABVLWHM-UHFFFAOYSA-N 1 0 323.234 3.706 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC000883387773 1024423229 /nfs/dbraw/zinc/42/32/29/1024423229.db2.gz DYKWKYFSGUJFIA-VQIMIIECSA-N 1 0 321.424 3.989 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1C ZINC000271249739 1024477700 /nfs/dbraw/zinc/47/77/00/1024477700.db2.gz ICOFHCCFGSXIAV-FUHWJXTLSA-N 1 0 315.413 3.690 20 10 DHCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000271604006 1024550659 /nfs/dbraw/zinc/55/06/59/1024550659.db2.gz YXMJWBQWYNKUKJ-IFXJQAMLSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000271667918 1024559194 /nfs/dbraw/zinc/55/91/94/1024559194.db2.gz HKOBJGCTNSQRAZ-NSHDSACASA-N 1 0 317.360 3.593 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)c1c(F)cccc1F ZINC000877063199 1033223147 /nfs/dbraw/zinc/22/31/47/1033223147.db2.gz GFTDFHPKPHWIBH-CRAIPNDOSA-N 1 0 321.367 3.581 20 10 DHCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1O ZINC001170417678 1024767155 /nfs/dbraw/zinc/76/71/55/1024767155.db2.gz MHYIZZSQZBGQFG-UKRRQHHQSA-N 1 0 313.397 3.793 20 10 DHCDRO COc1cc(C[N@@H+]2CCSC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000792722371 1024783380 /nfs/dbraw/zinc/78/33/80/1024783380.db2.gz LMLCFCBMOPHHNJ-ZDUSSCGKSA-N 1 0 323.502 3.883 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000897417287 1024788679 /nfs/dbraw/zinc/78/86/79/1024788679.db2.gz IGYDHASZBYEHCN-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)c(O)c1 ZINC000877083783 1033234583 /nfs/dbraw/zinc/23/45/83/1033234583.db2.gz DXPMZWOQBUZUHE-UHFFFAOYSA-N 1 0 307.340 3.900 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000792782145 1024796917 /nfs/dbraw/zinc/79/69/17/1024796917.db2.gz ZMIDCVARPUEFRU-CYBMUJFWSA-N 1 0 318.408 3.709 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792900126 1024827135 /nfs/dbraw/zinc/82/71/35/1024827135.db2.gz DSIIBWCTLDCKAB-LSDHHAIUSA-N 1 0 313.272 3.768 20 10 DHCDRO C[C@@H]1COCCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000772822689 1024836809 /nfs/dbraw/zinc/83/68/09/1024836809.db2.gz INKSTJICSJGXIB-CYBMUJFWSA-N 1 0 315.413 3.628 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000792976789 1024851049 /nfs/dbraw/zinc/85/10/49/1024851049.db2.gz QQUSOUIMUOVTPZ-AZUAARDMSA-N 1 0 316.489 3.970 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCSCC2)c(C(F)(F)F)c1 ZINC000792969403 1024855606 /nfs/dbraw/zinc/85/56/06/1024855606.db2.gz BJSPCEPVFIYUBH-UHFFFAOYSA-N 1 0 318.408 3.757 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOCC2CCCC2)cc1F ZINC001202685242 1024859626 /nfs/dbraw/zinc/85/96/26/1024859626.db2.gz YDYBPLAAESTZNX-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO CCCOc1ccc(C[NH2+]C(C)(C)c2nccs2)c(O)c1 ZINC000116380118 1024860356 /nfs/dbraw/zinc/86/03/56/1024860356.db2.gz YNBLCMNDAWGZCN-UHFFFAOYSA-N 1 0 306.431 3.662 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)c1 ZINC000825935172 1033246254 /nfs/dbraw/zinc/24/62/54/1033246254.db2.gz OCEJCXGIMZSSRO-VXGBXAGGSA-N 1 0 312.369 3.954 20 10 DHCDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229282 1024943228 /nfs/dbraw/zinc/94/32/28/1024943228.db2.gz VEPUFLOHUYEDKW-OKILXGFUSA-N 1 0 303.406 3.568 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793231294 1024943561 /nfs/dbraw/zinc/94/35/61/1024943561.db2.gz MBJZJWZEFUKNNL-ZYHUDNBSSA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000893684598 1024945030 /nfs/dbraw/zinc/94/50/30/1024945030.db2.gz RLHTYYODRLNCGC-LBPRGKRZSA-N 1 0 304.821 3.962 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232527 1024947930 /nfs/dbraw/zinc/94/79/30/1024947930.db2.gz XBIPCXPGDHDARO-KWQFWETISA-N 1 0 323.742 3.827 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2cc(F)ccc2O)cc1Cl ZINC000793337678 1024994542 /nfs/dbraw/zinc/99/45/42/1024994542.db2.gz IGEOJBPRBKDSLH-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2F)c(O)c1 ZINC000793385987 1025026978 /nfs/dbraw/zinc/02/69/78/1025026978.db2.gz FMYLHRHGROQDHC-CYBMUJFWSA-N 1 0 303.377 3.651 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000236847142 1025060138 /nfs/dbraw/zinc/06/01/38/1025060138.db2.gz SWMWRJQIMHFQFR-KRWDZBQOSA-N 1 0 316.445 3.769 20 10 DHCDRO Cc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2O)N2CCCC2)o1 ZINC000877146898 1033258411 /nfs/dbraw/zinc/25/84/11/1033258411.db2.gz LXBRKORPONOMLZ-QGZVFWFLSA-N 1 0 314.429 3.529 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000793607542 1025126364 /nfs/dbraw/zinc/12/63/64/1025126364.db2.gz AMQVVONXLNLKAW-PMACEKPBSA-N 1 0 314.473 3.820 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000793619661 1025135832 /nfs/dbraw/zinc/13/58/32/1025135832.db2.gz JPXFEBRWCXJHBU-IBGZPJMESA-N 1 0 302.462 3.535 20 10 DHCDRO Oc1ccc(CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172543250 1033275371 /nfs/dbraw/zinc/27/53/71/1033275371.db2.gz ODBSHJQKCRODQT-MSOLQXFVSA-N 1 0 311.425 3.956 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897470091 1025433235 /nfs/dbraw/zinc/43/32/35/1025433235.db2.gz XVXJLJNLEMBNAW-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000124618832 1025435998 /nfs/dbraw/zinc/43/59/98/1025435998.db2.gz JBGKSQDKALFZON-HXUWFJFHSA-N 1 0 311.425 3.646 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000236892104 1025452773 /nfs/dbraw/zinc/45/27/73/1025452773.db2.gz GAUGBPNGTRYHRI-LJQANCHMSA-N 1 0 312.457 3.873 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000877335541 1033287366 /nfs/dbraw/zinc/28/73/66/1033287366.db2.gz XWCHTJKYPOSZJM-UHFFFAOYSA-N 1 0 303.789 3.579 20 10 DHCDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(C)cc1O ZINC000279935383 1025512856 /nfs/dbraw/zinc/51/28/56/1025512856.db2.gz AYAYAYPWGOPYKH-KRWDZBQOSA-N 1 0 312.413 3.770 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1OCC(F)F)c1ccccc1O ZINC000886185686 1025552654 /nfs/dbraw/zinc/55/26/54/1025552654.db2.gz DLUJQROQRRIPJT-LBPRGKRZSA-N 1 0 307.340 3.887 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cc1C ZINC000886342407 1025595250 /nfs/dbraw/zinc/59/52/50/1025595250.db2.gz AQBDRYAZPALMLL-SFHVURJKSA-N 1 0 303.446 3.838 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000355121111 1025609108 /nfs/dbraw/zinc/60/91/08/1025609108.db2.gz KZAVPFWQBRYBIV-UHFFFAOYSA-N 1 0 310.445 3.629 20 10 DHCDRO Cc1noc(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000068966714 1025663911 /nfs/dbraw/zinc/66/39/11/1025663911.db2.gz VFTIUBWUANFOJU-UHFFFAOYSA-N 1 0 323.396 3.616 20 10 DHCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886522102 1025673279 /nfs/dbraw/zinc/67/32/79/1025673279.db2.gz CFJNBMWUYHOSQD-AWEZNQCLSA-N 1 0 316.420 3.834 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1F ZINC000886524579 1025676843 /nfs/dbraw/zinc/67/68/43/1025676843.db2.gz MXVOPOFEPVIXSU-QGZVFWFLSA-N 1 0 313.420 3.844 20 10 DHCDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1c(O)cccc1F ZINC000886585778 1025720461 /nfs/dbraw/zinc/72/04/61/1025720461.db2.gz FQNHQZWASRHEOO-LLVKDONJSA-N 1 0 306.356 3.905 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000321837039 1025761009 /nfs/dbraw/zinc/76/10/09/1025761009.db2.gz DGHBJCQIIMKVRM-UHFFFAOYSA-N 1 0 311.425 3.856 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[C@@H](C)O)cc1 ZINC000236961403 1025863412 /nfs/dbraw/zinc/86/34/12/1025863412.db2.gz HIPYZOIHGGQXSG-QGZVFWFLSA-N 1 0 312.457 3.574 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000236964801 1025871557 /nfs/dbraw/zinc/87/15/57/1025871557.db2.gz KUQXBRQJFXRLNB-UHFFFAOYSA-N 1 0 324.468 3.718 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000248623122 1025982000 /nfs/dbraw/zinc/98/20/00/1025982000.db2.gz BIVVVKWCZQYEJN-CKFHNAJUSA-N 1 0 316.420 3.873 20 10 DHCDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746301 1026032866 /nfs/dbraw/zinc/03/28/66/1026032866.db2.gz XUVROCXAAGXUQT-ZDUSSCGKSA-N 1 0 310.869 3.817 20 10 DHCDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090773071 1026085449 /nfs/dbraw/zinc/08/54/49/1026085449.db2.gz QMCYCUIAEIAUAE-CQSZACIVSA-N 1 0 318.436 3.503 20 10 DHCDRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090972283 1026093502 /nfs/dbraw/zinc/09/35/02/1026093502.db2.gz DAGJUFABGHLWBI-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894153856 1026198688 /nfs/dbraw/zinc/19/86/88/1026198688.db2.gz OBCHECDYBLQBMS-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)cc1C ZINC000808386146 1026277258 /nfs/dbraw/zinc/27/72/58/1026277258.db2.gz XTOVGACTZTZLMC-UHFFFAOYSA-N 1 0 315.413 3.619 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000808444760 1026288869 /nfs/dbraw/zinc/28/88/69/1026288869.db2.gz KHHVAHNXLBCRST-DYESRHJHSA-N 1 0 324.468 3.889 20 10 DHCDRO Cc1cc(C[NH2+]CC2=CCCOC2)c(C)n1-c1cccc(C)c1 ZINC000808430427 1026300690 /nfs/dbraw/zinc/30/06/90/1026300690.db2.gz PNHBNYMNVDDKDZ-UHFFFAOYSA-N 1 0 310.441 3.839 20 10 DHCDRO COc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290057785 1026304679 /nfs/dbraw/zinc/30/46/79/1026304679.db2.gz GXYZKGIOSCBDCV-GOSISDBHSA-N 1 0 316.420 3.535 20 10 DHCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000808688173 1026349585 /nfs/dbraw/zinc/34/95/85/1026349585.db2.gz PFTXLDQTGOASSP-INIZCTEOSA-N 1 0 313.372 3.546 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccccc2O)c1O ZINC000808689395 1026350388 /nfs/dbraw/zinc/35/03/88/1026350388.db2.gz BOHZNYMUFNWYTA-LBPRGKRZSA-N 1 0 305.805 3.953 20 10 DHCDRO CCOC(CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)OCC ZINC000808714805 1026362363 /nfs/dbraw/zinc/36/23/63/1026362363.db2.gz CGBBFFLLDCEQSB-GFCCVEGCSA-N 1 0 315.841 3.794 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c1O ZINC000808715852 1026364440 /nfs/dbraw/zinc/36/44/40/1026364440.db2.gz XQZVSJZNQSNGPS-YGRLFVJLSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000808718176 1026364470 /nfs/dbraw/zinc/36/44/70/1026364470.db2.gz QCFWXHVNDAAXMJ-LBPRGKRZSA-N 1 0 319.836 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CSCCS2)c1O ZINC000808702259 1026374748 /nfs/dbraw/zinc/37/47/48/1026374748.db2.gz URDAVAWXYLCULP-JQWIXIFHSA-N 1 0 317.907 3.853 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000808729019 1026382807 /nfs/dbraw/zinc/38/28/07/1026382807.db2.gz XXLBVDUACJRNBO-QFBILLFUSA-N 1 0 310.441 3.970 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894207917 1026391832 /nfs/dbraw/zinc/39/18/32/1026391832.db2.gz AWQATTHOACJLDZ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccc(C)cc1O ZINC000280038374 1026576798 /nfs/dbraw/zinc/57/67/98/1026576798.db2.gz IQQSMYFCYYHPHX-SJKOYZFVSA-N 1 0 302.418 3.977 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655581 1026583041 /nfs/dbraw/zinc/58/30/41/1026583041.db2.gz MPFBBLAFKKPOQS-LJQANCHMSA-N 1 0 313.441 3.853 20 10 DHCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000809655355 1026583752 /nfs/dbraw/zinc/58/37/52/1026583752.db2.gz IPNJSONZWUEZPQ-KRWDZBQOSA-N 1 0 319.832 3.895 20 10 DHCDRO C[C@H](CO)[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1CCC1 ZINC000809664722 1026589735 /nfs/dbraw/zinc/58/97/35/1026589735.db2.gz JAZLTXWPBLZEEJ-QGZVFWFLSA-N 1 0 316.489 3.660 20 10 DHCDRO CCN(CC)c1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000809703301 1026599969 /nfs/dbraw/zinc/59/99/69/1026599969.db2.gz HSANNGNWJYMCIJ-YLJYHZDGSA-N 1 0 315.505 3.591 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1O ZINC000809767875 1026606387 /nfs/dbraw/zinc/60/63/87/1026606387.db2.gz WRLGACXUUMUURG-KRWDZBQOSA-N 1 0 321.424 3.715 20 10 DHCDRO Oc1ccc(C[N@@H+](Cc2cc(F)ccc2O)CC2CC2)cc1 ZINC000809738007 1026611314 /nfs/dbraw/zinc/61/13/14/1026611314.db2.gz PBCNYWMPHDVWNO-UHFFFAOYSA-N 1 0 301.361 3.649 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC000809737788 1026611462 /nfs/dbraw/zinc/61/14/62/1026611462.db2.gz LGWLOTFEKMEJQH-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO Cc1cc(O)c(CN(CC[NH+](C)C)Cc2cccs2)cc1C ZINC000809746090 1026612796 /nfs/dbraw/zinc/61/27/96/1026612796.db2.gz NCMWEWAGONSRQJ-UHFFFAOYSA-N 1 0 318.486 3.634 20 10 DHCDRO Cc1cc(Cl)cc(CN(CC[NH+](C)C)Cc2ccco2)c1O ZINC000809746463 1026613255 /nfs/dbraw/zinc/61/32/55/1026613255.db2.gz UCGRGSBGRULSRR-UHFFFAOYSA-N 1 0 322.836 3.511 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000809751440 1026615747 /nfs/dbraw/zinc/61/57/47/1026615747.db2.gz HJVJPSAWQTZTJZ-IBGZPJMESA-N 1 0 304.478 3.516 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1F ZINC000809755620 1026616013 /nfs/dbraw/zinc/61/60/13/1026616013.db2.gz AFMVXISZTWPGRS-IBGZPJMESA-N 1 0 322.468 3.799 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1F ZINC000809758490 1026617862 /nfs/dbraw/zinc/61/78/62/1026617862.db2.gz OGPIRNWUKUIANZ-WBVHZDCISA-N 1 0 320.452 3.530 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233245 1026618085 /nfs/dbraw/zinc/61/80/85/1026618085.db2.gz VJKQBTDPXAJNEY-TZMCWYRMSA-N 1 0 302.422 3.744 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000280498358 1026656613 /nfs/dbraw/zinc/65/66/13/1026656613.db2.gz FVPQASZCIGCDGM-UHFFFAOYSA-N 1 0 308.294 3.659 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810230882 1026714968 /nfs/dbraw/zinc/71/49/68/1026714968.db2.gz NEXZCRPQXOJOIJ-CABZTGNLSA-N 1 0 305.340 3.611 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810234516 1026716568 /nfs/dbraw/zinc/71/65/68/1026716568.db2.gz FHGJQSLTNDPWBZ-BREBYQMCSA-N 1 0 305.340 3.611 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810210799 1026717844 /nfs/dbraw/zinc/71/78/44/1026717844.db2.gz DVXQVJVXCTUTTJ-FZMZJTMJSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810212124 1026718497 /nfs/dbraw/zinc/71/84/97/1026718497.db2.gz MFEJNFUSNVEXAJ-GXFFZTMASA-N 1 0 305.340 3.734 20 10 DHCDRO CCOCCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810207217 1026718939 /nfs/dbraw/zinc/71/89/39/1026718939.db2.gz GADFKRDHFQRVTI-CYBMUJFWSA-N 1 0 305.340 3.878 20 10 DHCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810261837 1026719799 /nfs/dbraw/zinc/71/97/99/1026719799.db2.gz KSCKOWYKBGVYQH-GZBFAFLISA-N 1 0 308.441 3.790 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O)OC ZINC000810260182 1026720417 /nfs/dbraw/zinc/72/04/17/1026720417.db2.gz GTMIVRBOSVLAMS-CMPLNLGQSA-N 1 0 316.239 3.539 20 10 DHCDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000810259879 1026720933 /nfs/dbraw/zinc/72/09/33/1026720933.db2.gz WDPGUFHXJJJACK-CRAIPNDOSA-N 1 0 310.441 3.715 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810238587 1026725860 /nfs/dbraw/zinc/72/58/60/1026725860.db2.gz LAYAMDUJPKWYGI-CWSCBRNRSA-N 1 0 305.340 3.875 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ncccc2N(C)C)c1O ZINC000810247014 1026729359 /nfs/dbraw/zinc/72/93/59/1026729359.db2.gz INSSSLBHZJIKAF-LBPRGKRZSA-N 1 0 319.836 3.666 20 10 DHCDRO Oc1ccc(F)cc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508467 1027025703 /nfs/dbraw/zinc/02/57/03/1027025703.db2.gz RJIPWYDVCHNLPU-QGZVFWFLSA-N 1 0 312.388 3.516 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000811510692 1027027219 /nfs/dbraw/zinc/02/72/19/1027027219.db2.gz MZJJXZZXTYKHIM-RBUKOAKNSA-N 1 0 311.425 3.935 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1O ZINC001170671651 1027210790 /nfs/dbraw/zinc/21/07/90/1027210790.db2.gz DZLSCWOLLSZNLY-SMDDNHRTSA-N 1 0 303.352 3.879 20 10 DHCDRO CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H](C)OC ZINC000812302901 1027249351 /nfs/dbraw/zinc/24/93/51/1027249351.db2.gz HQLCTBBZBHGJAZ-CYBMUJFWSA-N 1 0 317.429 3.874 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)cc1F ZINC000812773146 1027398802 /nfs/dbraw/zinc/39/88/02/1027398802.db2.gz YOTDGCWEJICNEU-GOSISDBHSA-N 1 0 308.441 3.577 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1cc(Br)ccc1O ZINC000157991479 1027408262 /nfs/dbraw/zinc/40/82/62/1027408262.db2.gz ZYJJUHAZYWSCQM-GFCCVEGCSA-N 1 0 316.239 3.620 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854101 1027452071 /nfs/dbraw/zinc/45/20/71/1027452071.db2.gz VJUWEMPMEWVSBV-UZLBHIALSA-N 1 0 312.457 3.697 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000295855934 1027461717 /nfs/dbraw/zinc/46/17/17/1027461717.db2.gz BGGXDGYSLOBPHW-VIFPVBQESA-N 1 0 314.282 3.796 20 10 DHCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2sccc21 ZINC000296230441 1027581818 /nfs/dbraw/zinc/58/18/18/1027581818.db2.gz AGPUGLYOLGWZSH-RDTXWAMCSA-N 1 0 315.438 3.519 20 10 DHCDRO Cn1cc(C[NH2+][C@H]2CCc3cccc(O)c32)c(-c2ccccc2)n1 ZINC000296238085 1027584734 /nfs/dbraw/zinc/58/47/34/1027584734.db2.gz ARNJMYBEPJFXKT-KRWDZBQOSA-N 1 0 319.408 3.570 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000778120150 1027608355 /nfs/dbraw/zinc/60/83/55/1027608355.db2.gz CTNMJZJLSKDPFO-CQSZACIVSA-N 1 0 309.793 3.814 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000778995556 1027735341 /nfs/dbraw/zinc/73/53/41/1027735341.db2.gz ZFVXCJANURKEJA-FUHWJXTLSA-N 1 0 304.478 3.780 20 10 DHCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(F)ccc1O ZINC000778992949 1027739443 /nfs/dbraw/zinc/73/94/43/1027739443.db2.gz MICOKXQFGAYERI-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000779001284 1027751151 /nfs/dbraw/zinc/75/11/51/1027751151.db2.gz DZVRXESVPUHIBI-ICSRJNTNSA-N 1 0 311.425 3.992 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000527659865 1027808276 /nfs/dbraw/zinc/80/82/76/1027808276.db2.gz NDCLSTJLTCPGGE-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC000779015109 1027817936 /nfs/dbraw/zinc/81/79/36/1027817936.db2.gz MYYBRUAYDAYNPL-CVEARBPZSA-N 1 0 303.446 3.952 20 10 DHCDRO COc1cccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)OC)c1 ZINC000527732910 1027850758 /nfs/dbraw/zinc/85/07/58/1027850758.db2.gz BLYOWVCXXKCJJS-KRWDZBQOSA-N 1 0 321.804 3.532 20 10 DHCDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000527766723 1027887799 /nfs/dbraw/zinc/88/77/99/1027887799.db2.gz PYHUSGXMTVYVTN-XLIONFOSSA-N 1 0 309.409 3.716 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000527946272 1027978195 /nfs/dbraw/zinc/97/81/95/1027978195.db2.gz HMNNARITWPBUNS-DOTOQJQBSA-N 1 0 302.462 3.758 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)CC2 ZINC000527943278 1027978357 /nfs/dbraw/zinc/97/83/57/1027978357.db2.gz NRKVVBYHUVRJEC-OSGQAZFXSA-N 1 0 311.812 3.961 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814301454 1028004056 /nfs/dbraw/zinc/00/40/56/1028004056.db2.gz TVYNQAKDSNQNQG-CTYIDZIISA-N 1 0 301.361 3.576 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000527990548 1028013977 /nfs/dbraw/zinc/01/39/77/1028013977.db2.gz OWHMCTBQQLEIKW-LBPRGKRZSA-N 1 0 320.820 3.651 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2c1c(F)ccc2O ZINC000528004087 1028033498 /nfs/dbraw/zinc/03/34/98/1028033498.db2.gz VDEFZUAQBJEKND-INWMFGNUSA-N 1 0 318.436 3.686 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1O ZINC000528007319 1028036548 /nfs/dbraw/zinc/03/65/48/1028036548.db2.gz ZCSSLJZMFDYFAQ-QZTJIDSGSA-N 1 0 324.424 3.568 20 10 DHCDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000527985746 1028041569 /nfs/dbraw/zinc/04/15/69/1028041569.db2.gz IMBHXBYEWNIVNM-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C2CC2)cn1 ZINC000528044187 1028071837 /nfs/dbraw/zinc/07/18/37/1028071837.db2.gz RYRNYXVOINNNSQ-BFUOFWGJSA-N 1 0 312.413 3.906 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C2CC2)cn1 ZINC000528044191 1028074133 /nfs/dbraw/zinc/07/41/33/1028074133.db2.gz RYRNYXVOINNNSQ-ORAYPTAESA-N 1 0 312.413 3.906 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)c(C)c1 ZINC001170765137 1028204240 /nfs/dbraw/zinc/20/42/40/1028204240.db2.gz RFVMEFRRPDQNPF-XGWQRUHWSA-N 1 0 314.473 3.560 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000779091897 1028226191 /nfs/dbraw/zinc/22/61/91/1028226191.db2.gz YZFHDZAZAJZZMV-JQWIXIFHSA-N 1 0 305.315 3.990 20 10 DHCDRO CC[N@H+](Cc1ccccc1C)Cc1cc(OC)c(OC)cc1O ZINC000159821695 1028257386 /nfs/dbraw/zinc/25/73/86/1028257386.db2.gz JSZKHGFGCYKEEO-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)c1O ZINC000367958431 1028264237 /nfs/dbraw/zinc/26/42/37/1028264237.db2.gz QYWZZCNUKLBLCQ-GTNSWQLSSA-N 1 0 317.360 3.542 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000368028634 1028284050 /nfs/dbraw/zinc/28/40/50/1028284050.db2.gz FEDOFBLEAYHTFX-OAHLLOKOSA-N 1 0 317.458 3.512 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107280 1028284337 /nfs/dbraw/zinc/28/43/37/1028284337.db2.gz XNBJZEHYTSCIKB-PIGZYNQJSA-N 1 0 307.340 3.536 20 10 DHCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N(C)C)c(C)c1 ZINC000815010992 1028326080 /nfs/dbraw/zinc/32/60/80/1028326080.db2.gz WCPSRODVQBAEGP-UHFFFAOYSA-N 1 0 318.486 3.771 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000368325413 1028334501 /nfs/dbraw/zinc/33/45/01/1028334501.db2.gz AETDORCMHKYTCJ-CJNGLKHVSA-N 1 0 313.397 3.884 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1 ZINC000815117453 1028366692 /nfs/dbraw/zinc/36/66/92/1028366692.db2.gz NITSSIQXFSECEP-APWZRJJASA-N 1 0 304.478 3.658 20 10 DHCDRO Cc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)ccc1N(C)C ZINC000815102455 1028378623 /nfs/dbraw/zinc/37/86/23/1028378623.db2.gz IXWCLXVAUGWIET-UHFFFAOYSA-N 1 0 314.477 3.714 20 10 DHCDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000815159144 1028387019 /nfs/dbraw/zinc/38/70/19/1028387019.db2.gz KAKNAYXOWQHAFU-MGPUTAFESA-N 1 0 311.425 3.700 20 10 DHCDRO COc1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)ccc1Cl ZINC000815163538 1028388770 /nfs/dbraw/zinc/38/87/70/1028388770.db2.gz PIGZQJLUBOSVLH-UHFFFAOYSA-N 1 0 317.816 3.616 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815146701 1028401553 /nfs/dbraw/zinc/40/15/53/1028401553.db2.gz JGOBHINULKGWGM-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000187894234 1028480376 /nfs/dbraw/zinc/48/03/76/1028480376.db2.gz LLPFJFICFKUUOJ-UZLBHIALSA-N 1 0 312.457 3.701 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(CO)ccc1F ZINC000528488639 1028490541 /nfs/dbraw/zinc/49/05/41/1028490541.db2.gz NHMUPMINXCCSGU-UHFFFAOYSA-N 1 0 317.404 3.826 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c(O)c1 ZINC000815556404 1028542785 /nfs/dbraw/zinc/54/27/85/1028542785.db2.gz UQLRBUCMYQUMFT-QGZVFWFLSA-N 1 0 324.468 3.718 20 10 DHCDRO COC[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815566378 1028546633 /nfs/dbraw/zinc/54/66/33/1028546633.db2.gz RPXPWDSQUGKGJC-APWZRJJASA-N 1 0 313.441 3.938 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815578920 1028550985 /nfs/dbraw/zinc/55/09/85/1028550985.db2.gz ABFVUTAZPPZOPM-MJGOQNOKSA-N 1 0 313.441 3.817 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000815578245 1028552298 /nfs/dbraw/zinc/55/22/98/1028552298.db2.gz KIOVORGBHAVJOD-SFHVURJKSA-N 1 0 302.462 3.580 20 10 DHCDRO CC(C)[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815580573 1028553805 /nfs/dbraw/zinc/55/38/05/1028553805.db2.gz MRMGHWZHVNZWDG-AZUAARDMSA-N 1 0 313.441 3.673 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815589411 1028558484 /nfs/dbraw/zinc/55/84/84/1028558484.db2.gz RLDYFLLTSICANP-MJGOQNOKSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c(O)c1 ZINC000815592614 1028558777 /nfs/dbraw/zinc/55/87/77/1028558777.db2.gz NFVRXQRYHCUOPC-HNAYVOBHSA-N 1 0 311.425 3.974 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000815599353 1028564289 /nfs/dbraw/zinc/56/42/89/1028564289.db2.gz QUVGZPGMFSFCPW-CRAIPNDOSA-N 1 0 310.441 3.846 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000815648202 1028592355 /nfs/dbraw/zinc/59/23/55/1028592355.db2.gz GWVLIORQWXPJDQ-QAPCUYQASA-N 1 0 304.478 3.592 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCCCC2)cc1 ZINC000370662696 1028632540 /nfs/dbraw/zinc/63/25/40/1028632540.db2.gz NNQFTVAVLZOLIR-CRAIPNDOSA-N 1 0 324.472 3.608 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000370739452 1028645817 /nfs/dbraw/zinc/64/58/17/1028645817.db2.gz KZTTZDICPPXABA-UHFFFAOYSA-N 1 0 302.805 3.652 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(-c3nccn3C)c2)cc1C ZINC000371389765 1028698360 /nfs/dbraw/zinc/69/83/60/1028698360.db2.gz SLKMPNPBBKJHEK-UHFFFAOYSA-N 1 0 321.424 3.699 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@H](c3cccs3)C[C@H]2C)c1O ZINC000371397869 1028701908 /nfs/dbraw/zinc/70/19/08/1028701908.db2.gz FMGICWYLPPAPRE-TZMCWYRMSA-N 1 0 303.427 3.840 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCSCC[C@@H]3C)c2c1 ZINC000189910181 1028709049 /nfs/dbraw/zinc/70/90/49/1028709049.db2.gz KUDKELHESUMTIB-ZDUSSCGKSA-N 1 0 317.454 3.881 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000371528781 1028724885 /nfs/dbraw/zinc/72/48/85/1028724885.db2.gz NYXURJDMMFWAAB-UHFFFAOYSA-N 1 0 318.417 3.683 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372212243 1028825177 /nfs/dbraw/zinc/82/51/77/1028825177.db2.gz OUGADOAINIRSRB-QGZVFWFLSA-N 1 0 311.425 3.794 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)CCCC2 ZINC000190170128 1028827772 /nfs/dbraw/zinc/82/77/72/1028827772.db2.gz LYYQHKYNHMYPKO-HXUWFJFHSA-N 1 0 315.457 3.662 20 10 DHCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816480178 1028886771 /nfs/dbraw/zinc/88/67/71/1028886771.db2.gz FVOBYXBGMOSWBY-UHFFFAOYSA-N 1 0 307.393 3.540 20 10 DHCDRO COCC[N@H+](Cc1ccco1)Cc1ccc2ccccc2c1O ZINC000816490464 1028894929 /nfs/dbraw/zinc/89/49/29/1028894929.db2.gz VIBJXVRMEFMRCA-UHFFFAOYSA-N 1 0 311.381 3.787 20 10 DHCDRO CC[C@]1(C)C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000190343878 1028904519 /nfs/dbraw/zinc/90/45/19/1028904519.db2.gz QFURPWHYBWGSLA-LJQANCHMSA-N 1 0 315.413 3.555 20 10 DHCDRO Oc1c(C[NH2+]Cc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816528587 1028918087 /nfs/dbraw/zinc/91/80/87/1028918087.db2.gz JINGNHNQVTWCLC-UHFFFAOYSA-N 1 0 307.349 3.564 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548456 1028930290 /nfs/dbraw/zinc/93/02/90/1028930290.db2.gz IKDTZKVGEPYCTA-AWEZNQCLSA-N 1 0 307.393 3.972 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816550595 1028931563 /nfs/dbraw/zinc/93/15/63/1028931563.db2.gz VXZXURCGRDUDRZ-UHFFFAOYSA-N 1 0 309.365 3.549 20 10 DHCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554033 1028940601 /nfs/dbraw/zinc/94/06/01/1028940601.db2.gz NGFQSXYQMFDNAF-OAHLLOKOSA-N 1 0 301.430 3.680 20 10 DHCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816556271 1028942016 /nfs/dbraw/zinc/94/20/16/1028942016.db2.gz DXQWASYGJVHMEK-IBGZPJMESA-N 1 0 307.393 3.677 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599410 1028957645 /nfs/dbraw/zinc/95/76/45/1028957645.db2.gz LUZMWBZRPCFGJO-INIZCTEOSA-N 1 0 304.393 3.930 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1O ZINC000816649798 1028975416 /nfs/dbraw/zinc/97/54/16/1028975416.db2.gz KZDNGPJIWRFSTQ-BBRMVZONSA-N 1 0 317.816 3.948 20 10 DHCDRO COc1ccc(N2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)cc1 ZINC000816660660 1028981029 /nfs/dbraw/zinc/98/10/29/1028981029.db2.gz LRROPZDMTFJRHJ-UHFFFAOYSA-N 1 0 323.440 3.660 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000817409519 1029149687 /nfs/dbraw/zinc/14/96/87/1029149687.db2.gz DCXCXOCDMSSTPH-STQMWFEESA-N 1 0 307.459 3.585 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000817412195 1029152636 /nfs/dbraw/zinc/15/26/36/1029152636.db2.gz GFZFGCPLQNAVOM-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO C[C@@H]1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859602 1029184883 /nfs/dbraw/zinc/18/48/83/1029184883.db2.gz LURLKFMQEXLPTQ-RHSMWYFYSA-N 1 0 301.386 3.555 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccccc1O ZINC000155205107 1029194184 /nfs/dbraw/zinc/19/41/84/1029194184.db2.gz ZOEDCDBKKKUDHD-GOSISDBHSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000817589855 1029217441 /nfs/dbraw/zinc/21/74/41/1029217441.db2.gz QKHPSKKDZLDWPL-GOEBONIOSA-N 1 0 304.503 3.937 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc(C)n1 ZINC000817588407 1029217713 /nfs/dbraw/zinc/21/77/13/1029217713.db2.gz FEDNSTRIIHOWEW-MEBBXXQBSA-N 1 0 300.377 3.881 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938620 1029281263 /nfs/dbraw/zinc/28/12/63/1029281263.db2.gz OMGHHVTXLJIEOJ-GUYCJALGSA-N 1 0 317.502 3.727 20 10 DHCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000817939018 1029283157 /nfs/dbraw/zinc/28/31/57/1029283157.db2.gz XPOYKPQSCXNHRE-SCLBCKFNSA-N 1 0 317.864 3.757 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000817943894 1029286875 /nfs/dbraw/zinc/28/68/75/1029286875.db2.gz WKNWQXXODQZVIF-ZEWNOJEFSA-N 1 0 323.484 3.534 20 10 DHCDRO COc1cccc2cc([C@H](C)[NH2+]CCc3ccc(N)cc3)oc21 ZINC000817955904 1029293072 /nfs/dbraw/zinc/29/30/72/1029293072.db2.gz KTIWXQORUHHICM-ZDUSSCGKSA-N 1 0 310.397 3.917 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000817956270 1029296437 /nfs/dbraw/zinc/29/64/37/1029296437.db2.gz VIFLBZVALRTVJL-FQEVSTJZSA-N 1 0 322.452 3.804 20 10 DHCDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957606 1029297062 /nfs/dbraw/zinc/29/70/62/1029297062.db2.gz NASDCDFGKWQPAD-IBGZPJMESA-N 1 0 310.441 3.832 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955077 1029297432 /nfs/dbraw/zinc/29/74/32/1029297432.db2.gz PSZIQLYVIZKDHY-QMTHXVAHSA-N 1 0 317.260 3.739 20 10 DHCDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817956349 1029297725 /nfs/dbraw/zinc/29/77/25/1029297725.db2.gz WXBSLEULKSBCLN-LJQANCHMSA-N 1 0 310.441 3.932 20 10 DHCDRO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000817962565 1029299536 /nfs/dbraw/zinc/29/95/36/1029299536.db2.gz KJOYZKUSJFVBBE-QWRGUYRKSA-N 1 0 306.356 3.541 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cnn1C(C)C ZINC000191129547 1029299525 /nfs/dbraw/zinc/29/95/25/1029299525.db2.gz QUJFNAOLOIIYBP-CQSZACIVSA-N 1 0 300.450 3.689 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)CC2CC(O)C2)cc1 ZINC000191155562 1029304351 /nfs/dbraw/zinc/30/43/51/1029304351.db2.gz MZMXWCOXWIIGDP-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966980 1029308149 /nfs/dbraw/zinc/30/81/49/1029308149.db2.gz AYLURVDTDNSNPW-ZDUSSCGKSA-N 1 0 315.244 3.659 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000817967213 1029308351 /nfs/dbraw/zinc/30/83/51/1029308351.db2.gz FQAUKAVIWUORKA-GTNSWQLSSA-N 1 0 300.377 3.842 20 10 DHCDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2cc(N)ccc2O1 ZINC000817974840 1029309721 /nfs/dbraw/zinc/30/97/21/1029309721.db2.gz GEEIYUJJEVOEQA-HZPDHXFCSA-N 1 0 324.424 3.854 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(C)cc1O ZINC000817975499 1029313645 /nfs/dbraw/zinc/31/36/45/1029313645.db2.gz VRHCBOQMYZGXDU-RBUKOAKNSA-N 1 0 310.441 3.628 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817979449 1029316800 /nfs/dbraw/zinc/31/68/00/1029316800.db2.gz BCYXTKZRRCYAGM-VXGBXAGGSA-N 1 0 316.367 3.594 20 10 DHCDRO Cc1cc(N)cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000817980806 1029317490 /nfs/dbraw/zinc/31/74/90/1029317490.db2.gz NUAMKLSWFWQDEU-NHYWBVRUSA-N 1 0 300.377 3.760 20 10 DHCDRO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817984177 1029323132 /nfs/dbraw/zinc/32/31/32/1029323132.db2.gz VTAJWTLDBQJIQM-YVEFUNNKSA-N 1 0 320.383 3.801 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231488 1029358189 /nfs/dbraw/zinc/35/81/89/1029358189.db2.gz XLBMUAQSVUWFOL-AEFFLSMTSA-N 1 0 301.361 3.518 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000818329739 1029366103 /nfs/dbraw/zinc/36/61/03/1029366103.db2.gz CXOFHSIFLJWMDB-LAGDQHSMSA-N 1 0 316.489 3.826 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccccc1O ZINC000156065347 1029369561 /nfs/dbraw/zinc/36/95/61/1029369561.db2.gz OIRAXDCWECLESV-KDOFPFPSSA-N 1 0 315.413 3.909 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000818342072 1029375963 /nfs/dbraw/zinc/37/59/63/1029375963.db2.gz LGHOFKKMBQLFBY-APWZRJJASA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3C)C2)cc1 ZINC000818343976 1029376363 /nfs/dbraw/zinc/37/63/63/1029376363.db2.gz GSIXOCXACBBYAF-GPMSIDNRSA-N 1 0 302.462 3.690 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818355448 1029383286 /nfs/dbraw/zinc/38/32/86/1029383286.db2.gz FZAAJCOGSQJMND-RPVQJOFSSA-N 1 0 318.436 3.502 20 10 DHCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094412 1029472785 /nfs/dbraw/zinc/47/27/85/1029472785.db2.gz GFMPMHNZOKGWAV-NRFANRHFSA-N 1 0 322.452 3.503 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000529643710 1029479340 /nfs/dbraw/zinc/47/93/40/1029479340.db2.gz SYRGQOXYOAIUSQ-USXIJHARSA-N 1 0 303.764 3.613 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000819902606 1029622302 /nfs/dbraw/zinc/62/23/02/1029622302.db2.gz GIHBSJOVZLABQB-IBGZPJMESA-N 1 0 315.457 3.790 20 10 DHCDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000530215876 1029785288 /nfs/dbraw/zinc/78/52/88/1029785288.db2.gz JVPFICWXZCAEPV-OTYXRUKQSA-N 1 0 315.244 3.634 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000865725308 1029993168 /nfs/dbraw/zinc/99/31/68/1029993168.db2.gz HRMPMYXDOCEEAW-GOSISDBHSA-N 1 0 320.502 3.539 20 10 DHCDRO CCOc1cccc(C[NH2+]CCSCCC(F)(F)F)c1O ZINC000865787978 1030024113 /nfs/dbraw/zinc/02/41/13/1030024113.db2.gz CAWZTJHUTDGTOY-UHFFFAOYSA-N 1 0 323.380 3.566 20 10 DHCDRO COCC(C)(C)CCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000290407481 1030037444 /nfs/dbraw/zinc/03/74/44/1030037444.db2.gz JUZLRVHVLDBAER-UHFFFAOYSA-N 1 0 315.841 3.597 20 10 DHCDRO CO[C@@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000822570102 1030063374 /nfs/dbraw/zinc/06/33/74/1030063374.db2.gz GOXBKGXTAWPFJN-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000290525445 1030088825 /nfs/dbraw/zinc/08/88/25/1030088825.db2.gz QGXWEKWKNKZCJM-AWEZNQCLSA-N 1 0 305.809 3.723 20 10 DHCDRO CN1CCCc2cc(C[NH2+]C3CC4(C3)COC(C)(C)C4)ccc21 ZINC000924873473 1030212361 /nfs/dbraw/zinc/21/23/61/1030212361.db2.gz WVOLQMKSMOMEAX-UHFFFAOYSA-N 1 0 314.473 3.506 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn(C)cn1 ZINC000925011021 1030247634 /nfs/dbraw/zinc/24/76/34/1030247634.db2.gz JNIWJJCWQIJDFC-MRXNPFEDSA-N 1 0 312.461 3.507 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1F ZINC000823404662 1030280384 /nfs/dbraw/zinc/28/03/84/1030280384.db2.gz UBQZKNVAZOXJHY-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866408160 1030284936 /nfs/dbraw/zinc/28/49/36/1030284936.db2.gz HMMBFIADCBSWMY-LBPRGKRZSA-N 1 0 314.832 3.575 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000866484977 1030320012 /nfs/dbraw/zinc/32/00/12/1030320012.db2.gz BZEJPLNCNGFHRQ-NEPJUHHUSA-N 1 0 312.369 3.959 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)cc1O ZINC000866499015 1030327321 /nfs/dbraw/zinc/32/73/21/1030327321.db2.gz CRZAIEGATDFMRZ-BDODKLCJSA-N 1 0 324.140 3.756 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000866539613 1030360639 /nfs/dbraw/zinc/36/06/39/1030360639.db2.gz DWTQYXIDSXEJJA-NSHDSACASA-N 1 0 304.321 3.599 20 10 DHCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000823670990 1030362024 /nfs/dbraw/zinc/36/20/24/1030362024.db2.gz HDLYJXPMCGRZKV-AWEZNQCLSA-N 1 0 308.441 3.577 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000823670991 1030362729 /nfs/dbraw/zinc/36/27/29/1030362729.db2.gz HDLYJXPMCGRZKV-CQSZACIVSA-N 1 0 308.441 3.577 20 10 DHCDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823758292 1030390868 /nfs/dbraw/zinc/39/08/68/1030390868.db2.gz WQBUAUANAAHJPK-HNNXBMFYSA-N 1 0 318.486 3.899 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc2c(cc1O)CCCC2 ZINC000866633317 1030414061 /nfs/dbraw/zinc/41/40/61/1030414061.db2.gz UBDSMJQHWCVBEE-DYVFJYSZSA-N 1 0 311.429 3.653 20 10 DHCDRO OCc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000729686711 1030417607 /nfs/dbraw/zinc/41/76/07/1030417607.db2.gz XZZCTWJMLXNIRD-UHFFFAOYSA-N 1 0 319.404 3.841 20 10 DHCDRO COc1cc(C)ccc1C[NH2+]CCCSc1nccs1 ZINC000823937601 1030440571 /nfs/dbraw/zinc/44/05/71/1030440571.db2.gz DHKQHOQRBJRFDT-UHFFFAOYSA-N 1 0 308.472 3.732 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000824515046 1030569860 /nfs/dbraw/zinc/56/98/60/1030569860.db2.gz DDKDUALPRYUWFR-BXUZGUMPSA-N 1 0 319.367 3.860 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2c(C3CC3)cnn2C)C2CC2)cc1 ZINC000824556335 1030582306 /nfs/dbraw/zinc/58/23/06/1030582306.db2.gz PRSCRUSQZCCLLD-UHFFFAOYSA-N 1 0 324.472 3.528 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000291666303 1030589667 /nfs/dbraw/zinc/58/96/67/1030589667.db2.gz FUIOSJMZKGGJHX-YVEFUNNKSA-N 1 0 303.427 3.554 20 10 DHCDRO CC[C@H]([NH2+]CC1=CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000824597857 1030591987 /nfs/dbraw/zinc/59/19/87/1030591987.db2.gz YCDZVRDOJILYOH-AWEZNQCLSA-N 1 0 315.335 3.798 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000824779849 1030636178 /nfs/dbraw/zinc/63/61/78/1030636178.db2.gz CWVWLFIRRFVUKV-IFXJQAMLSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824799388 1030641570 /nfs/dbraw/zinc/64/15/70/1030641570.db2.gz NFFMPOKBATZOGM-DEYYWGMASA-N 1 0 307.434 3.503 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000824820214 1030647175 /nfs/dbraw/zinc/64/71/75/1030647175.db2.gz BOAQQXITCNQUDV-IBGZPJMESA-N 1 0 316.489 3.924 20 10 DHCDRO Cc1ccncc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824910319 1030665072 /nfs/dbraw/zinc/66/50/72/1030665072.db2.gz UNRUWDPCIWSNRV-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824941755 1030676884 /nfs/dbraw/zinc/67/68/84/1030676884.db2.gz QLTDLKKPQKNMQP-DZGCQCFKSA-N 1 0 322.246 3.775 20 10 DHCDRO CC[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000825040380 1030707502 /nfs/dbraw/zinc/70/75/02/1030707502.db2.gz JSFIXQGHJCLSMC-CYBMUJFWSA-N 1 0 317.351 3.614 20 10 DHCDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000825098382 1030710095 /nfs/dbraw/zinc/71/00/95/1030710095.db2.gz HXSSBYGRDKRXTA-JLTOFOAXSA-N 1 0 311.425 3.962 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000825143239 1030735259 /nfs/dbraw/zinc/73/52/59/1030735259.db2.gz COTOYYAHLGNNRV-UNXYVOJBSA-N 1 0 315.360 3.602 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000248689815 1030759661 /nfs/dbraw/zinc/75/96/61/1030759661.db2.gz ANEFTEXOMBKMCO-GDJRKYJOSA-N 1 0 307.821 3.654 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825252880 1030759903 /nfs/dbraw/zinc/75/99/03/1030759903.db2.gz AFAACCXWKCTNOM-QUCCMNQESA-N 1 0 314.473 3.580 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000825245103 1030759990 /nfs/dbraw/zinc/75/99/90/1030759990.db2.gz FHLPCFYJLSHUAA-DZGCQCFKSA-N 1 0 317.351 3.613 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1OC ZINC000825299390 1030766399 /nfs/dbraw/zinc/76/63/99/1030766399.db2.gz JSHMVMOJOQFRFP-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1cc(O)c(C[N@H+](C(C)C)C2CC(C)(C)C2)cc1OC ZINC000825332339 1030778513 /nfs/dbraw/zinc/77/85/13/1030778513.db2.gz VWSXGGMLAFIZMA-UHFFFAOYSA-N 1 0 307.434 3.808 20 10 DHCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825327756 1030778628 /nfs/dbraw/zinc/77/86/28/1030778628.db2.gz ZZLSMGMHEULAIW-CYBMUJFWSA-N 1 0 311.834 3.547 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(Cl)nc2)cc1Cl ZINC000825337074 1030781497 /nfs/dbraw/zinc/78/14/97/1030781497.db2.gz HYFWSNVMPDHBDF-UHFFFAOYSA-N 1 0 311.212 3.735 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1O ZINC000825310723 1030785103 /nfs/dbraw/zinc/78/51/03/1030785103.db2.gz BSWCGAHXTVBNQQ-QGZVFWFLSA-N 1 0 317.454 3.756 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1Cl ZINC000825390128 1030786807 /nfs/dbraw/zinc/78/68/07/1030786807.db2.gz AFLHWPRZNNTCKZ-QGZVFWFLSA-N 1 0 302.805 3.990 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000122689077 1030825953 /nfs/dbraw/zinc/82/59/53/1030825953.db2.gz SYGBJVBFMWOQTP-INIZCTEOSA-N 1 0 311.473 3.978 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cc(F)ccc1O ZINC000926918928 1030993109 /nfs/dbraw/zinc/99/31/09/1030993109.db2.gz JVUWNQHPSKGCQO-NWDGAFQWSA-N 1 0 301.361 3.706 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000926921592 1030998246 /nfs/dbraw/zinc/99/82/46/1030998246.db2.gz VYDLRIYZBAZOJG-CHWSQXEVSA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc2ccccc2c1O ZINC000926937642 1031004891 /nfs/dbraw/zinc/00/48/91/1031004891.db2.gz QPFPOCATTQFBLP-XBVQOTNRSA-N 1 0 309.409 3.787 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)n1 ZINC000927053805 1031053766 /nfs/dbraw/zinc/05/37/66/1031053766.db2.gz RTFRUFLDUBWART-MGPQQGTHSA-N 1 0 315.417 3.633 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000927067700 1031068047 /nfs/dbraw/zinc/06/80/47/1031068047.db2.gz CYJXPXBTEFCRLO-XTQGRXLLSA-N 1 0 309.837 3.901 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927072678 1031073805 /nfs/dbraw/zinc/07/38/05/1031073805.db2.gz YOFUZKJMRSYKDZ-HNAYVOBHSA-N 1 0 314.477 3.924 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1O ZINC000927107939 1031093900 /nfs/dbraw/zinc/09/39/00/1031093900.db2.gz NOECPRKOBGYDDV-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c(C)c1OC ZINC000927126331 1031107830 /nfs/dbraw/zinc/10/78/30/1031107830.db2.gz WXIIOHLCRTYHBU-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CCc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(CC)c1O ZINC001144150327 1031286311 /nfs/dbraw/zinc/28/63/11/1031286311.db2.gz HBWFRSKJSRPBAU-UHFFFAOYSA-N 1 0 311.425 3.781 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844761057 1031317609 /nfs/dbraw/zinc/31/76/09/1031317609.db2.gz VFRONRGSDLYNII-INIZCTEOSA-N 1 0 311.372 3.626 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732728 1031323161 /nfs/dbraw/zinc/32/31/61/1031323161.db2.gz RILFYYCZEFEQPC-DZGCQCFKSA-N 1 0 315.413 3.553 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732731 1031323271 /nfs/dbraw/zinc/32/32/71/1031323271.db2.gz RILFYYCZEFEQPC-ZFWWWQNUSA-N 1 0 315.413 3.553 20 10 DHCDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000844922878 1031401496 /nfs/dbraw/zinc/40/14/96/1031401496.db2.gz CAYRDHHKHBITJX-JTQLQIEISA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000844922879 1031401959 /nfs/dbraw/zinc/40/19/59/1031401959.db2.gz CAYRDHHKHBITJX-SNVBAGLBSA-N 1 0 317.260 3.739 20 10 DHCDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000929185475 1031460063 /nfs/dbraw/zinc/46/00/63/1031460063.db2.gz SKHIYSKTBUMCKM-UHFFFAOYSA-N 1 0 312.461 3.649 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872078710 1031474385 /nfs/dbraw/zinc/47/43/85/1031474385.db2.gz DNGQTECSALJBKT-WBVHZDCISA-N 1 0 304.478 3.539 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3oc(=O)[nH]c3c2)c(O)c1 ZINC000872121475 1031512227 /nfs/dbraw/zinc/51/22/27/1031512227.db2.gz CLAQDBJMGMWMOB-GFCCVEGCSA-N 1 0 312.369 3.707 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)c1O ZINC000872134053 1031527893 /nfs/dbraw/zinc/52/78/93/1031527893.db2.gz QUBKFYDKRMNBGB-ZYHUDNBSSA-N 1 0 305.809 3.864 20 10 DHCDRO Cc1ccc(C)c(NCc2cc(Br)ccc2O)[nH+]1 ZINC001171174221 1031529402 /nfs/dbraw/zinc/52/94/02/1031529402.db2.gz NMUVAOMWPOVIFQ-UHFFFAOYSA-N 1 0 307.191 3.779 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1cc(Cl)ccc1O ZINC000872135514 1031531568 /nfs/dbraw/zinc/53/15/68/1031531568.db2.gz WWCDDLHACFUFDL-RISCZKNCSA-N 1 0 305.809 3.946 20 10 DHCDRO C[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1O ZINC001144416845 1031557755 /nfs/dbraw/zinc/55/77/55/1031557755.db2.gz UKDYUKONAKWRER-UHFFFAOYSA-N 1 0 301.777 3.554 20 10 DHCDRO CN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293758327 1031606090 /nfs/dbraw/zinc/60/60/90/1031606090.db2.gz OTMVCSIEKSJJNB-HXUWFJFHSA-N 1 0 324.468 3.750 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000124081985 1031608428 /nfs/dbraw/zinc/60/84/28/1031608428.db2.gz AAMIHQZNPJYENG-WMLDXEAASA-N 1 0 317.502 3.768 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1O ZINC000124080991 1031608549 /nfs/dbraw/zinc/60/85/49/1031608549.db2.gz CGZLZAVEQWCSIO-INIZCTEOSA-N 1 0 301.361 3.877 20 10 DHCDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514557 1031673209 /nfs/dbraw/zinc/67/32/09/1031673209.db2.gz KLHLRUPQXBPLTO-SNVBAGLBSA-N 1 0 307.777 3.650 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccnc2C(F)(F)F)cc1 ZINC001144538905 1031685725 /nfs/dbraw/zinc/68/57/25/1031685725.db2.gz VNECYZIRHXOBAG-UHFFFAOYSA-N 1 0 323.362 3.798 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293957528 1031720677 /nfs/dbraw/zinc/72/06/77/1031720677.db2.gz PPRANMTYQSCCQQ-CQSZACIVSA-N 1 0 323.799 3.862 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000873176631 1031742283 /nfs/dbraw/zinc/74/22/83/1031742283.db2.gz RIPMZKPLPPUQOQ-XUTJKUGGSA-N 1 0 324.468 3.574 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cc(F)ccc1O ZINC000873238405 1031769678 /nfs/dbraw/zinc/76/96/78/1031769678.db2.gz ZNSQXANGFRYNDM-QWHCGFSZSA-N 1 0 300.377 3.781 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000845972178 1031789700 /nfs/dbraw/zinc/78/97/00/1031789700.db2.gz PIJUVYFJHLANKO-MQIPJXDCSA-N 1 0 309.475 3.972 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000897727393 1031804872 /nfs/dbraw/zinc/80/48/72/1031804872.db2.gz LJJOHQSMEREDEW-CXAGYDPISA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019105 1031807675 /nfs/dbraw/zinc/80/76/75/1031807675.db2.gz XQDKQKPJZPORFS-MEDUHNTESA-N 1 0 323.795 3.705 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1ccccc1O ZINC000846013572 1031808363 /nfs/dbraw/zinc/80/83/63/1031808363.db2.gz MUPSIFBFPPZXDI-PUECVXPYSA-N 1 0 303.377 3.694 20 10 DHCDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000561314791 1031819789 /nfs/dbraw/zinc/81/97/89/1031819789.db2.gz KHOXMEGGSRKDTC-TWGQIWQCSA-N 1 0 323.396 3.560 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000846035865 1031826383 /nfs/dbraw/zinc/82/63/83/1031826383.db2.gz KJVGTOVUYIXQIE-LKTVYLICSA-N 1 0 301.789 3.756 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000846035870 1031827815 /nfs/dbraw/zinc/82/78/15/1031827815.db2.gz KJVGTOVUYIXQIE-VQISRLSMSA-N 1 0 301.789 3.756 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000846035899 1031828129 /nfs/dbraw/zinc/82/81/29/1031828129.db2.gz VDUFFSVDUMINET-KGLIPLIRSA-N 1 0 322.207 3.849 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000897746419 1031829677 /nfs/dbraw/zinc/82/96/77/1031829677.db2.gz ILVJNMNTPJLKAL-QXABKBJSSA-N 1 0 302.487 3.782 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000846039112 1031833102 /nfs/dbraw/zinc/83/31/02/1031833102.db2.gz UERBGPMCTLXEAV-HUUCEWRRSA-N 1 0 301.789 3.585 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000846043377 1031837482 /nfs/dbraw/zinc/83/74/82/1031837482.db2.gz ANVSMLUNBNTCII-AWEZNQCLSA-N 1 0 303.333 3.501 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000124555379 1031843922 /nfs/dbraw/zinc/84/39/22/1031843922.db2.gz YXIMZBDGPODUPX-NRFANRHFSA-N 1 0 324.468 3.698 20 10 DHCDRO Oc1cc(F)c(F)cc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001142520572 1031847354 /nfs/dbraw/zinc/84/73/54/1031847354.db2.gz LPIGXEOGFHOOAG-HNNXBMFYSA-N 1 0 324.415 3.511 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117934 1031867140 /nfs/dbraw/zinc/86/71/40/1031867140.db2.gz RMLJBUKZFTXSOJ-IHPCNDPISA-N 1 0 309.409 3.887 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)c1O ZINC000897882515 1031868101 /nfs/dbraw/zinc/86/81/01/1031868101.db2.gz PJRYJKZVQIYGAY-MQMHXKEQSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(F)cc2C)c1O ZINC000846150912 1031882270 /nfs/dbraw/zinc/88/22/70/1031882270.db2.gz SYDCJIFXBVTXJR-CYBMUJFWSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c1O ZINC000846147109 1031883645 /nfs/dbraw/zinc/88/36/45/1031883645.db2.gz MEDYRWROLMSEHV-OBJOEFQTSA-N 1 0 321.442 3.625 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1O ZINC000846147104 1031883800 /nfs/dbraw/zinc/88/38/00/1031883800.db2.gz MEDYRWROLMSEHV-DYEKYZERSA-N 1 0 321.442 3.625 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(Cl)c1 ZINC000897970873 1031884052 /nfs/dbraw/zinc/88/40/52/1031884052.db2.gz QITXRPYTFCFKNY-UHFFFAOYSA-N 1 0 309.837 3.791 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C12CCCC2 ZINC000846149417 1031883995 /nfs/dbraw/zinc/88/39/95/1031883995.db2.gz ZDLORQYBCLXQSI-KBRIMQKVSA-N 1 0 319.445 3.789 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2C)c1O ZINC000846149410 1031884053 /nfs/dbraw/zinc/88/40/53/1031884053.db2.gz YZNOCYAOUZTGHN-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C[C@@H]1OC ZINC000846153157 1031885706 /nfs/dbraw/zinc/88/57/06/1031885706.db2.gz GRCMQNWJOVMEIG-WQVCFCJDSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(F)c2F)c1O ZINC000846150384 1031886820 /nfs/dbraw/zinc/88/68/20/1031886820.db2.gz FCZPQQGUEPZKEP-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846156516 1031889694 /nfs/dbraw/zinc/88/96/94/1031889694.db2.gz MQHWTJVZAABPPG-CZUORRHYSA-N 1 0 309.450 3.893 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000846165889 1031893634 /nfs/dbraw/zinc/89/36/34/1031893634.db2.gz PFKJMSOBYFBRCR-ABAIWWIYSA-N 1 0 317.360 3.714 20 10 DHCDRO CCO[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846165453 1031894049 /nfs/dbraw/zinc/89/40/49/1031894049.db2.gz MLFXHDMIFUYYSH-RDTXWAMCSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2nc(C)cs2)c1O ZINC000846166392 1031894854 /nfs/dbraw/zinc/89/48/54/1031894854.db2.gz WLEMTEUNJMWVQN-PWSUYJOCSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cnccc2C(C)(C)C)c1O ZINC000846171174 1031897332 /nfs/dbraw/zinc/89/73/32/1031897332.db2.gz FAWMGZWLBYGFPJ-ZDUSSCGKSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c1O ZINC000846169394 1031898595 /nfs/dbraw/zinc/89/85/95/1031898595.db2.gz QHROJLWNWJHEBC-LSDHHAIUSA-N 1 0 314.429 3.858 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2c(F)cccc2F)c1O ZINC000846141762 1031899714 /nfs/dbraw/zinc/89/97/14/1031899714.db2.gz SIOBYNKRXPOOCW-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc3cccnc32)c1O ZINC000846138254 1031900350 /nfs/dbraw/zinc/90/03/50/1031900350.db2.gz JCCNODNGAGBZEV-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c1O ZINC000846140640 1031900623 /nfs/dbraw/zinc/90/06/23/1031900623.db2.gz BURPAXJMQPSXPQ-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000846138240 1031900724 /nfs/dbraw/zinc/90/07/24/1031900724.db2.gz JBWKSHKRENATBT-NWDGAFQWSA-N 1 0 315.369 3.541 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000846142748 1031904198 /nfs/dbraw/zinc/90/41/98/1031904198.db2.gz CHGHAKXRQMXECN-BXUZGUMPSA-N 1 0 301.411 3.898 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)c1O ZINC000846145547 1031906392 /nfs/dbraw/zinc/90/63/92/1031906392.db2.gz LHYLEDWDOIVACP-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000846211033 1031908968 /nfs/dbraw/zinc/90/89/68/1031908968.db2.gz RPTWQJYOZOTAIJ-KRWDZBQOSA-N 1 0 316.489 3.880 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCc2ccc(C)o2)c1O ZINC000846146105 1031909014 /nfs/dbraw/zinc/90/90/14/1031909014.db2.gz NAOJBHGWUQPYFS-JSGCOSHPSA-N 1 0 303.402 3.974 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1F ZINC000846182411 1031916740 /nfs/dbraw/zinc/91/67/40/1031916740.db2.gz JPWHSYRWZFOIKG-DINDLPBHSA-N 1 0 323.795 3.957 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183962 1031917172 /nfs/dbraw/zinc/91/71/72/1031917172.db2.gz PRBNADHSFCIVGI-IQUTYRLHSA-N 1 0 316.420 3.664 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187714 1031921218 /nfs/dbraw/zinc/92/12/18/1031921218.db2.gz MFERGRXLLPHWAN-UXHICEINSA-N 1 0 316.489 3.999 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2cc(Br)cs2)c1O ZINC000124712938 1031950023 /nfs/dbraw/zinc/95/00/23/1031950023.db2.gz KCCQEWCQKZXCPZ-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898181130 1031982901 /nfs/dbraw/zinc/98/29/01/1031982901.db2.gz BEHJIIVMPJCFDA-AWEZNQCLSA-N 1 0 313.445 3.802 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1O)CCO2 ZINC000877417124 1033297420 /nfs/dbraw/zinc/29/74/20/1033297420.db2.gz NJXUWQAWPGGQJF-QGZVFWFLSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1C ZINC001172716787 1033322253 /nfs/dbraw/zinc/32/22/53/1033322253.db2.gz OSTSCZTZSVQEHZ-QGZVFWFLSA-N 1 0 301.817 3.914 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)c1O ZINC000877525448 1033336880 /nfs/dbraw/zinc/33/68/80/1033336880.db2.gz DBDVQRUDHOWJOI-FPMFFAJLSA-N 1 0 303.427 3.744 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(F)F)nc2)c1 ZINC000877532339 1033341104 /nfs/dbraw/zinc/34/11/04/1033341104.db2.gz DZBDFCCSRZZXHO-JTQLQIEISA-N 1 0 308.328 3.584 20 10 DHCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237498262 1033367803 /nfs/dbraw/zinc/36/78/03/1033367803.db2.gz YMBDBJWLORLMNQ-SFHVURJKSA-N 1 0 315.505 3.641 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c1O ZINC000877663676 1033402360 /nfs/dbraw/zinc/40/23/60/1033402360.db2.gz FQWHCUDKDMJXLO-MRXNPFEDSA-N 1 0 323.795 3.706 20 10 DHCDRO COCC1(C2CC2)C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000877685586 1033411753 /nfs/dbraw/zinc/41/17/53/1033411753.db2.gz BVJCJTUOKGTTDE-UHFFFAOYSA-N 1 0 323.436 3.918 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877709781 1033421296 /nfs/dbraw/zinc/42/12/96/1033421296.db2.gz IFDSPFXENAFICY-GUYCJALGSA-N 1 0 309.837 3.649 20 10 DHCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(C)(C)C)o2)cc1OC ZINC000877734860 1033426051 /nfs/dbraw/zinc/42/60/51/1033426051.db2.gz HZVRCSBTPRBCOY-UHFFFAOYSA-N 1 0 319.401 3.590 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1O ZINC000877755547 1033431503 /nfs/dbraw/zinc/43/15/03/1033431503.db2.gz DWVIQVOZLWGFDG-SNVBAGLBSA-N 1 0 311.303 3.984 20 10 DHCDRO CC(C)(O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000877754482 1033431665 /nfs/dbraw/zinc/43/16/65/1033431665.db2.gz IBAGCVOEHJNZEJ-UHFFFAOYSA-N 1 0 316.489 3.660 20 10 DHCDRO CCOCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877755664 1033433270 /nfs/dbraw/zinc/43/32/70/1033433270.db2.gz KTTFVQADFFCUOS-CQSZACIVSA-N 1 0 301.386 3.616 20 10 DHCDRO CCN(CC)c1ncc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000877757187 1033434587 /nfs/dbraw/zinc/43/45/87/1033434587.db2.gz MJTIQKQREBRFIM-LBPRGKRZSA-N 1 0 305.447 3.546 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000877756572 1033434697 /nfs/dbraw/zinc/43/46/97/1033434697.db2.gz UCXYTKZMZRBPGP-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1SC ZINC000877756317 1033434905 /nfs/dbraw/zinc/43/49/05/1033434905.db2.gz GZNVZJKKKYUQBT-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2O)c1Br ZINC000877757833 1033435079 /nfs/dbraw/zinc/43/50/79/1033435079.db2.gz WHLZLXKQEPFIAY-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000151590120 1033467431 /nfs/dbraw/zinc/46/74/31/1033467431.db2.gz OPULHVWNYQGYBF-INIZCTEOSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877824113 1033472223 /nfs/dbraw/zinc/47/22/23/1033472223.db2.gz OVVLNYMMSORTJT-NOZJJQNGSA-N 1 0 323.742 3.587 20 10 DHCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC001172951539 1033493344 /nfs/dbraw/zinc/49/33/44/1033493344.db2.gz SYRHZAQERMOIPQ-KBPBESRZSA-N 1 0 322.449 3.688 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000152229299 1033509022 /nfs/dbraw/zinc/50/90/22/1033509022.db2.gz SMQZWUOHVPLGJB-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(N2CCOCC2)cc1 ZINC000777159500 1033558241 /nfs/dbraw/zinc/55/82/41/1033558241.db2.gz ZFYGWRDPGJBRKW-XXCQWMQFSA-N 1 0 314.473 3.753 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000153145117 1033561876 /nfs/dbraw/zinc/56/18/76/1033561876.db2.gz CFCRXCXLMVHEKR-DLBZAZTESA-N 1 0 302.462 3.754 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173140558 1033567380 /nfs/dbraw/zinc/56/73/80/1033567380.db2.gz HWYGNTCNPWKPGB-MRXNPFEDSA-N 1 0 315.486 3.589 20 10 DHCDRO C[C@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCS1 ZINC000862212090 1033778881 /nfs/dbraw/zinc/77/88/81/1033778881.db2.gz GMNYWQMXVDUDSV-FUHWJXTLSA-N 1 0 321.486 3.659 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862398125 1033839911 /nfs/dbraw/zinc/83/99/11/1033839911.db2.gz YIMHGWPKZKZHLQ-KBPBESRZSA-N 1 0 324.415 3.545 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473094 1033863226 /nfs/dbraw/zinc/86/32/26/1033863226.db2.gz DWDFROBROKQPFC-ZGQVYYGYSA-N 1 0 302.487 3.736 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000862485203 1033864845 /nfs/dbraw/zinc/86/48/45/1033864845.db2.gz JUKQXAILHZGHDD-GDBMZVCRSA-N 1 0 319.445 3.500 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000862530493 1033876255 /nfs/dbraw/zinc/87/62/55/1033876255.db2.gz NPXSJGBZQZROMA-GOSISDBHSA-N 1 0 315.388 3.620 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)cc1F ZINC000862541691 1033883504 /nfs/dbraw/zinc/88/35/04/1033883504.db2.gz TVFYJLSGEBNGFF-OAHLLOKOSA-N 1 0 315.388 3.838 20 10 DHCDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862550475 1033886171 /nfs/dbraw/zinc/88/61/71/1033886171.db2.gz LVNMLDIQNDMNSQ-ISZGNANSSA-N 1 0 305.418 3.588 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1F ZINC001202547234 1033994456 /nfs/dbraw/zinc/99/44/56/1033994456.db2.gz SPJVZZOGYPFOJQ-CYBMUJFWSA-N 1 0 300.368 3.807 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(C)cc1 ZINC000879650224 1034075756 /nfs/dbraw/zinc/07/57/56/1034075756.db2.gz QJHDIRWPYGSJEC-RHSMWYFYSA-N 1 0 312.413 3.769 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccnn2C)ccc1N1CCCCC1 ZINC000879686541 1034086674 /nfs/dbraw/zinc/08/66/74/1034086674.db2.gz CUXLQLPDJYPMEM-INIZCTEOSA-N 1 0 312.461 3.570 20 10 DHCDRO C[C@@H](c1ccccc1)N(Cc1nccn1C)Cc1ccccc1O ZINC000176686248 1034101458 /nfs/dbraw/zinc/10/14/58/1034101458.db2.gz QTJOJSSYPBCAHV-INIZCTEOSA-N 1 0 321.424 3.889 20 10 DHCDRO C[C@H](c1ccccc1)N(Cc1nccn1C)Cc1ccccc1O ZINC000176686265 1034103020 /nfs/dbraw/zinc/10/30/20/1034103020.db2.gz QTJOJSSYPBCAHV-MRXNPFEDSA-N 1 0 321.424 3.889 20 10 DHCDRO CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000863546160 1034125596 /nfs/dbraw/zinc/12/55/96/1034125596.db2.gz JSEJUUFWVGYULQ-JKOKRWQUSA-N 1 0 316.367 3.592 20 10 DHCDRO CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000863546167 1034126082 /nfs/dbraw/zinc/12/60/82/1034126082.db2.gz JSEJUUFWVGYULQ-OSMZGAPFSA-N 1 0 316.367 3.592 20 10 DHCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826140176 1034180887 /nfs/dbraw/zinc/18/08/87/1034180887.db2.gz ZXYQRFSFPGCAJM-LLVKDONJSA-N 1 0 313.825 3.503 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1cnn(C)c1 ZINC000178228033 1034221124 /nfs/dbraw/zinc/22/11/24/1034221124.db2.gz ZHBIDTITWUAOAT-SFHVURJKSA-N 1 0 300.450 3.507 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000178701553 1034259439 /nfs/dbraw/zinc/25/94/39/1034259439.db2.gz PYCLSIKHKZGWLN-BEFAXECRSA-N 1 0 314.477 3.635 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccccc2)cc1OC ZINC000179433689 1034309837 /nfs/dbraw/zinc/30/98/37/1034309837.db2.gz SINLIJZXPYDZMX-CYBMUJFWSA-N 1 0 301.386 3.602 20 10 DHCDRO COc1cccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000128380561 1034310017 /nfs/dbraw/zinc/31/00/17/1034310017.db2.gz XOCNEBJQJZVTDJ-MRXNPFEDSA-N 1 0 315.438 3.691 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)CCC2 ZINC000128443961 1034343319 /nfs/dbraw/zinc/34/33/19/1034343319.db2.gz OFSWPVOAXVPUBI-KRWDZBQOSA-N 1 0 315.438 3.516 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000183331149 1034374227 /nfs/dbraw/zinc/37/42/27/1034374227.db2.gz PXRNJFJTXHYEOH-DOTOQJQBSA-N 1 0 305.805 3.820 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183345440 1034378633 /nfs/dbraw/zinc/37/86/33/1034378633.db2.gz XOHSTVZLQYGUHD-FUHWJXTLSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000183379222 1034379733 /nfs/dbraw/zinc/37/97/33/1034379733.db2.gz IPIVPVAPQKCYLI-NVXWUHKLSA-N 1 0 314.429 3.863 20 10 DHCDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccco1 ZINC000183468457 1034389741 /nfs/dbraw/zinc/38/97/41/1034389741.db2.gz RVECJWVRCCSWLP-GOEBONIOSA-N 1 0 302.418 3.719 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(C)cc1O ZINC000794801757 1034472819 /nfs/dbraw/zinc/47/28/19/1034472819.db2.gz KYRCLDCETOJECI-CWLKWCNXSA-N 1 0 303.446 3.945 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000184918019 1034512317 /nfs/dbraw/zinc/51/23/17/1034512317.db2.gz FIHJVRVJCHBOJA-SJCJKPOMSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911178 1034512552 /nfs/dbraw/zinc/51/25/52/1034512552.db2.gz JFJKXLMIDXWGLN-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(C)cc1O ZINC000794811679 1034518864 /nfs/dbraw/zinc/51/88/64/1034518864.db2.gz XUPYHMUDCRKNIH-KRWDZBQOSA-N 1 0 301.434 3.775 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000185046044 1034524543 /nfs/dbraw/zinc/52/45/43/1034524543.db2.gz KHQYHTNXAXGPTF-AWEZNQCLSA-N 1 0 300.402 3.734 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C)cc1O ZINC000794814761 1034524935 /nfs/dbraw/zinc/52/49/35/1034524935.db2.gz IMRYFUHXAINBCW-HTAPYJJXSA-N 1 0 317.454 3.679 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C)cc1O ZINC000794814769 1034525663 /nfs/dbraw/zinc/52/56/63/1034525663.db2.gz ITZCZPNRAHJMLC-HNNXBMFYSA-N 1 0 320.820 3.869 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817138 1034533621 /nfs/dbraw/zinc/53/36/21/1034533621.db2.gz PKLNUVMHKGSZBY-HKUYNNGSSA-N 1 0 317.404 3.788 20 10 DHCDRO COCCCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185232705 1034535043 /nfs/dbraw/zinc/53/50/43/1034535043.db2.gz GNBQAEIVUJZJSU-NSHDSACASA-N 1 0 316.239 3.622 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216420 1034536732 /nfs/dbraw/zinc/53/67/32/1034536732.db2.gz FBKYOATUHIFXIS-GTNSWQLSSA-N 1 0 301.361 3.878 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(C)cc1O ZINC000794819204 1034538569 /nfs/dbraw/zinc/53/85/69/1034538569.db2.gz YKIBMYDRMWZOOR-WBVHZDCISA-N 1 0 319.445 3.817 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(C)cc1O ZINC000794819201 1034538890 /nfs/dbraw/zinc/53/88/90/1034538890.db2.gz YKIBMYDRMWZOOR-RDJZCZTQSA-N 1 0 319.445 3.817 20 10 DHCDRO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426446 1034545222 /nfs/dbraw/zinc/54/52/22/1034545222.db2.gz UHCLZPDJJSXGJI-GHMZBOCLSA-N 1 0 306.431 3.832 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1F ZINC000185383318 1034545497 /nfs/dbraw/zinc/54/54/97/1034545497.db2.gz XHSPIBVLHYLVJS-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccc1OC ZINC000185453144 1034548761 /nfs/dbraw/zinc/54/87/61/1034548761.db2.gz FUVUAKFHSUPRTB-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185528713 1034553459 /nfs/dbraw/zinc/55/34/59/1034553459.db2.gz HFSOWCLSQDHZDN-BONVTDFDSA-N 1 0 311.834 3.665 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000185532258 1034553726 /nfs/dbraw/zinc/55/37/26/1034553726.db2.gz UHTSEZLKPXVJCF-KSSFIOAISA-N 1 0 315.413 3.565 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000185548824 1034556802 /nfs/dbraw/zinc/55/68/02/1034556802.db2.gz WMCKMBWKRMROBE-NHYWBVRUSA-N 1 0 307.365 3.725 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)c1 ZINC000185661077 1034565439 /nfs/dbraw/zinc/56/54/39/1034565439.db2.gz BWOFTOUBBCHHRD-RDTXWAMCSA-N 1 0 314.429 3.886 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c1 ZINC000185839733 1034575826 /nfs/dbraw/zinc/57/58/26/1034575826.db2.gz PBGDQWPWDJUWQK-MQIPJXDCSA-N 1 0 321.442 3.625 20 10 DHCDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(Br)cc1O ZINC000185979254 1034590250 /nfs/dbraw/zinc/59/02/50/1034590250.db2.gz MDQSEBOZVQWAGZ-SECBINFHSA-N 1 0 316.264 3.701 20 10 DHCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000186131094 1034602191 /nfs/dbraw/zinc/60/21/91/1034602191.db2.gz WNNJUJFPCCLOJP-TZMCWYRMSA-N 1 0 309.413 3.859 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nc1 ZINC001137166924 1034603378 /nfs/dbraw/zinc/60/33/78/1034603378.db2.gz MTWAYFICKOSWCL-UHFFFAOYSA-N 1 0 315.848 3.967 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354850 1034623975 /nfs/dbraw/zinc/62/39/75/1034623975.db2.gz FZRQREJQATUFLP-ZZCKCESHSA-N 1 0 301.430 3.699 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2ccc(OC)c(C)c2)c(C)n1 ZINC000773408419 1034635318 /nfs/dbraw/zinc/63/53/18/1034635318.db2.gz GVQAIAAGKLJVHB-UHFFFAOYSA-N 1 0 301.434 3.598 20 10 DHCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186507026 1034637513 /nfs/dbraw/zinc/63/75/13/1034637513.db2.gz WZVJBLSZVXWWED-SCQSPADBSA-N 1 0 302.462 3.655 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccncc2CC)c1 ZINC000773425719 1034679181 /nfs/dbraw/zinc/67/91/81/1034679181.db2.gz BLTLZCBCDFNHKJ-ZDUSSCGKSA-N 1 0 300.402 3.599 20 10 DHCDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCCCCC2)cc1 ZINC000192923551 1034822613 /nfs/dbraw/zinc/82/26/13/1034822613.db2.gz UJCRUQSOIICUBQ-QGZVFWFLSA-N 1 0 304.478 3.880 20 10 DHCDRO COc1ccc(N(c2ccc(N)cc2)C2=CCC[N@H+](C)C2)cc1 ZINC001175580218 1035050269 /nfs/dbraw/zinc/05/02/69/1035050269.db2.gz LBNBZRFBIURIQD-UHFFFAOYSA-N 1 0 309.413 3.635 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1O ZINC000194374354 1035119306 /nfs/dbraw/zinc/11/93/06/1035119306.db2.gz DSGSRYCHGUOVSZ-QGZVFWFLSA-N 1 0 307.397 3.819 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)ccc1N(C)C ZINC001176650829 1035315162 /nfs/dbraw/zinc/31/51/62/1035315162.db2.gz WVNATIXHUMGFGD-GOSISDBHSA-N 1 0 304.503 3.779 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000194755449 1035322474 /nfs/dbraw/zinc/32/24/74/1035322474.db2.gz IUXIGNDJPZFUIX-AWEZNQCLSA-N 1 0 309.413 3.860 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c(Cl)c1 ZINC001177441436 1035372171 /nfs/dbraw/zinc/37/21/71/1035372171.db2.gz ATUXQOSQDJXROU-SCLBCKFNSA-N 1 0 324.896 3.954 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(CO)CCCCC2)cc1F ZINC001177942882 1035401594 /nfs/dbraw/zinc/40/15/94/1035401594.db2.gz IMTKPWGLUZCEJD-UHFFFAOYSA-N 1 0 322.468 3.704 20 10 DHCDRO O[C@@H](c1ccccc1)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001178272080 1035419755 /nfs/dbraw/zinc/41/97/55/1035419755.db2.gz BYWWVDFCTMUREV-FQEVSTJZSA-N 1 0 323.436 3.615 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2ccc(C)o2)cc1 ZINC000773767118 1035443988 /nfs/dbraw/zinc/44/39/88/1035443988.db2.gz WXYMMWBGTQVFMJ-UHFFFAOYSA-N 1 0 316.445 3.693 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000773795227 1035462155 /nfs/dbraw/zinc/46/21/55/1035462155.db2.gz NGVAFZLUDCXNTR-UHFFFAOYSA-N 1 0 316.489 3.781 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000773811419 1035473007 /nfs/dbraw/zinc/47/30/07/1035473007.db2.gz MJBHWRSHZNNVGJ-CQSZACIVSA-N 1 0 313.401 3.902 20 10 DHCDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1ccccc1O ZINC001179489951 1035480656 /nfs/dbraw/zinc/48/06/56/1035480656.db2.gz XLRVQCKXAUQZIR-GFCCVEGCSA-N 1 0 313.426 3.705 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1F ZINC001179506550 1035481882 /nfs/dbraw/zinc/48/18/82/1035481882.db2.gz AADGIUFKXWJCOE-BXWFABGCSA-N 1 0 320.452 3.719 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC001179562889 1035482679 /nfs/dbraw/zinc/48/26/79/1035482679.db2.gz WZCDJQWMZMNUFZ-QWHCGFSZSA-N 1 0 318.358 3.960 20 10 DHCDRO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001179758179 1035500790 /nfs/dbraw/zinc/50/07/90/1035500790.db2.gz CNSRPAWUXFMUEA-SFHVURJKSA-N 1 0 313.828 3.922 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000773830128 1035505689 /nfs/dbraw/zinc/50/56/89/1035505689.db2.gz DOWCLKHGISRQIK-LJQANCHMSA-N 1 0 304.478 3.564 20 10 DHCDRO CC[C@](C)([NH2+]Cc1ccc(N(C)C)c(C)c1)c1nccs1 ZINC000815071375 1035505763 /nfs/dbraw/zinc/50/57/63/1035505763.db2.gz JICPYKGIPZVAKB-KRWDZBQOSA-N 1 0 303.475 3.933 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC001179958012 1035557424 /nfs/dbraw/zinc/55/74/24/1035557424.db2.gz VIFAOEJRSHHGNX-IBGZPJMESA-N 1 0 311.425 3.607 20 10 DHCDRO CO[C@]1(C)C[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001179958187 1035559413 /nfs/dbraw/zinc/55/94/13/1035559413.db2.gz WRPUVZPIROPCEN-LAYSSIRVSA-N 1 0 316.489 3.901 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775585112 1035595925 /nfs/dbraw/zinc/59/59/25/1035595925.db2.gz DBVNLLTWBOFCME-LZQZEXGQSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1C ZINC000905678869 1035612343 /nfs/dbraw/zinc/61/23/43/1035612343.db2.gz SMPBHVHMLVGTFO-AWEZNQCLSA-N 1 0 317.326 3.875 20 10 DHCDRO COc1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC001180292478 1035646391 /nfs/dbraw/zinc/64/63/91/1035646391.db2.gz LYTWGEZHERPUAT-UHFFFAOYSA-N 1 0 318.442 3.802 20 10 DHCDRO C[C@@H]1CCCC[C@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001180359946 1035653229 /nfs/dbraw/zinc/65/32/29/1035653229.db2.gz ZFCFBQARCLSLGW-MJGOQNOKSA-N 1 0 316.489 3.781 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCc3c(C)cc(C)cc3C2)c(O)c1 ZINC001180977359 1035804399 /nfs/dbraw/zinc/80/43/99/1035804399.db2.gz NRWKPKLSZWLBIG-UHFFFAOYSA-N 1 0 311.425 3.884 20 10 DHCDRO C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2F)c2ccccc2C1 ZINC000816617991 1035825206 /nfs/dbraw/zinc/82/52/06/1035825206.db2.gz MZTWNHUVQRORAM-UHFFFAOYSA-N 1 0 320.795 3.637 20 10 DHCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001181656661 1035957032 /nfs/dbraw/zinc/95/70/32/1035957032.db2.gz TVRJVWGQQXGUHW-UHFFFAOYSA-N 1 0 320.776 3.514 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C[C@H](C)OC ZINC001194551388 1035959136 /nfs/dbraw/zinc/95/91/36/1035959136.db2.gz GSXLIYNYZGGMOU-KRWDZBQOSA-N 1 0 304.478 3.842 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1Cl ZINC001204335062 1036217499 /nfs/dbraw/zinc/21/74/99/1036217499.db2.gz OLACSFNRJAWYOB-QGZVFWFLSA-N 1 0 319.832 3.910 20 10 DHCDRO COc1ccc(O)c(CN2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000775654171 1036243941 /nfs/dbraw/zinc/24/39/41/1036243941.db2.gz HVZAUUIIEAPALP-UHFFFAOYSA-N 1 0 322.408 3.749 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2F)C(C)C)c1 ZINC000775651656 1036244921 /nfs/dbraw/zinc/24/49/21/1036244921.db2.gz POUYQZCVFQXVPU-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)c1ccccc1 ZINC000775657213 1036255749 /nfs/dbraw/zinc/25/57/49/1036255749.db2.gz YKPVOGMOIKXXBH-OAHLLOKOSA-N 1 0 315.413 3.610 20 10 DHCDRO COCC[N@H+](CCCc1ccccc1)Cc1cccc(C)c1O ZINC000775664950 1036283365 /nfs/dbraw/zinc/28/33/65/1036283365.db2.gz SRSAXORXCLEVFC-UHFFFAOYSA-N 1 0 313.441 3.782 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1O ZINC000775669104 1036318544 /nfs/dbraw/zinc/31/85/44/1036318544.db2.gz FIIGROWJQVICEZ-QUCCMNQESA-N 1 0 311.425 3.789 20 10 DHCDRO CCOC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001182625269 1036403126 /nfs/dbraw/zinc/40/31/26/1036403126.db2.gz NJSPMRWKIASYIT-UHFFFAOYSA-N 1 0 313.825 3.518 20 10 DHCDRO COc1cc(C)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC001182666100 1036414106 /nfs/dbraw/zinc/41/41/06/1036414106.db2.gz LGQMUHFFPJNECY-LLVKDONJSA-N 1 0 318.244 3.773 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000775690638 1036469790 /nfs/dbraw/zinc/46/97/90/1036469790.db2.gz WNFKHCVYLUPTHJ-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001182908917 1036483802 /nfs/dbraw/zinc/48/38/02/1036483802.db2.gz DGMWBVBCQJCABD-FPOVZHCZSA-N 1 0 324.468 3.723 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1O ZINC000775707527 1036502088 /nfs/dbraw/zinc/50/20/88/1036502088.db2.gz VUAZHQVACHSQLG-IBGZPJMESA-N 1 0 313.441 3.720 20 10 DHCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001183065846 1036516963 /nfs/dbraw/zinc/51/69/63/1036516963.db2.gz QGYYDXPAIZHUSI-PKOBYXMFSA-N 1 0 319.445 3.727 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000775713738 1036524806 /nfs/dbraw/zinc/52/48/06/1036524806.db2.gz MBZLWCMWSHCZSV-VQIMIIECSA-N 1 0 311.425 3.971 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c1 ZINC000775724574 1036565136 /nfs/dbraw/zinc/56/51/36/1036565136.db2.gz MBWNZPSZVFSXEB-WBVHZDCISA-N 1 0 311.425 3.854 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccccc1O ZINC001183354423 1036569971 /nfs/dbraw/zinc/56/99/71/1036569971.db2.gz BHAUARWSBKUKRM-ZHALLVOQSA-N 1 0 324.468 3.953 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccccc1O ZINC001183354420 1036570784 /nfs/dbraw/zinc/57/07/84/1036570784.db2.gz BHAUARWSBKUKRM-LMMKCTJWSA-N 1 0 324.468 3.953 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153457213 1036601966 /nfs/dbraw/zinc/60/19/66/1036601966.db2.gz GCUNUSFFCDOXTK-SFHVURJKSA-N 1 0 324.468 3.996 20 10 DHCDRO COc1cc(C[NH+]2CCC(C)(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000774643307 1036612345 /nfs/dbraw/zinc/61/23/45/1036612345.db2.gz GKYWXEIESGGUQQ-UHFFFAOYSA-N 1 0 321.461 3.699 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1O ZINC001183708060 1036654333 /nfs/dbraw/zinc/65/43/33/1036654333.db2.gz CROKDGFJYORZLL-KGLIPLIRSA-N 1 0 317.351 3.544 20 10 DHCDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001183909450 1036706618 /nfs/dbraw/zinc/70/66/18/1036706618.db2.gz NCZLVIAICLXWLW-OAHLLOKOSA-N 1 0 320.477 3.519 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000915228070 1036721931 /nfs/dbraw/zinc/72/19/31/1036721931.db2.gz DGWIPMMZHMKDBV-IBGZPJMESA-N 1 0 304.478 3.972 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1O ZINC001184054036 1036733289 /nfs/dbraw/zinc/73/32/89/1036733289.db2.gz DSWLAUVQSXFQKS-NQUFMGSDSA-N 1 0 301.430 3.577 20 10 DHCDRO COc1cccc(F)c1C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001184045432 1036735807 /nfs/dbraw/zinc/73/58/07/1036735807.db2.gz NGFJCHHFQNXCJH-UHFFFAOYSA-N 1 0 303.377 3.953 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775828903 1036976694 /nfs/dbraw/zinc/97/66/94/1036976694.db2.gz VROCASFYOCPIEA-LBPRGKRZSA-N 1 0 312.442 3.608 20 10 DHCDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834293 1036995641 /nfs/dbraw/zinc/99/56/41/1036995641.db2.gz QKFBKRBIRDSJLQ-OXJNMPFZSA-N 1 0 312.457 3.754 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1O ZINC000237223001 1036997016 /nfs/dbraw/zinc/99/70/16/1036997016.db2.gz FAGPIVULHRDQJW-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000774831759 1037044088 /nfs/dbraw/zinc/04/40/88/1037044088.db2.gz IZIBRKYLKIZKGH-IEBWSBKVSA-N 1 0 302.462 3.582 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC001198572360 1037063799 /nfs/dbraw/zinc/06/37/99/1037063799.db2.gz FTPYVFALBHFELD-MRXNPFEDSA-N 1 0 315.486 3.664 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163605809 1037129564 /nfs/dbraw/zinc/12/95/64/1037129564.db2.gz FIBLHWUCUAEKJU-VQIMIIECSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001168499725 1037199423 /nfs/dbraw/zinc/19/94/23/1037199423.db2.gz FATFEDRIKCOHTE-HNNXBMFYSA-N 1 0 300.421 3.955 20 10 DHCDRO CCOCc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)ccc1OC ZINC000784647062 1037243145 /nfs/dbraw/zinc/24/31/45/1037243145.db2.gz NNJBQBQHVFVFMZ-CVEARBPZSA-N 1 0 321.461 3.527 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203934146 1037250622 /nfs/dbraw/zinc/25/06/22/1037250622.db2.gz OEBCEEIEIXRRFR-LJQANCHMSA-N 1 0 314.404 3.545 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c1 ZINC000776020149 1037330443 /nfs/dbraw/zinc/33/04/43/1037330443.db2.gz NHAFHKKUMVSECI-UHFFFAOYSA-N 1 0 315.388 3.795 20 10 DHCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761227718 1037372966 /nfs/dbraw/zinc/37/29/66/1037372966.db2.gz ACBZUFDQPJXHQF-JTQLQIEISA-N 1 0 311.731 3.875 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cc1 ZINC000776167802 1037666112 /nfs/dbraw/zinc/66/61/12/1037666112.db2.gz OARWDCYOLDMDCU-SJORKVTESA-N 1 0 318.505 3.982 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000776166513 1037666460 /nfs/dbraw/zinc/66/64/60/1037666460.db2.gz AVZLISCMRVFLGE-FQEVSTJZSA-N 1 0 312.457 3.528 20 10 DHCDRO CCN(C)c1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000776174596 1037678165 /nfs/dbraw/zinc/67/81/65/1037678165.db2.gz PFLIIIJUQQHGPT-UHFFFAOYSA-N 1 0 304.821 3.792 20 10 DHCDRO COc1cc(C[NH2+]CC2(C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC001201588232 1037794636 /nfs/dbraw/zinc/79/46/36/1037794636.db2.gz XYBDKEIPYBSLQV-UHFFFAOYSA-N 1 0 303.446 3.978 20 10 DHCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201872743 1037923479 /nfs/dbraw/zinc/92/34/79/1037923479.db2.gz LTLALLUIIJRKPS-UTKZUKDTSA-N 1 0 324.468 3.889 20 10 DHCDRO CCC(O)(CC)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001202018764 1037969815 /nfs/dbraw/zinc/96/98/15/1037969815.db2.gz STNYRFMITZBIJP-UHFFFAOYSA-N 1 0 323.477 3.729 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000776231362 1037987148 /nfs/dbraw/zinc/98/71/48/1037987148.db2.gz PGCWXYWENFEWOU-UHFFFAOYSA-N 1 0 322.880 3.932 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1OC ZINC000776232168 1038004147 /nfs/dbraw/zinc/00/41/47/1038004147.db2.gz QORMKUDRSHBKQF-SNVBAGLBSA-N 1 0 323.339 3.538 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000156348266 1038046261 /nfs/dbraw/zinc/04/62/61/1038046261.db2.gz ZEHKRGDSYQTCGU-KRWDZBQOSA-N 1 0 314.477 3.697 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC001202158521 1038077626 /nfs/dbraw/zinc/07/76/26/1038077626.db2.gz MWKIFRCWVMMWPU-GOSISDBHSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000164275059 1038111693 /nfs/dbraw/zinc/11/16/93/1038111693.db2.gz OEQPGXFIFHVNNF-GOSISDBHSA-N 1 0 315.388 3.722 20 10 DHCDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000775305492 1038207368 /nfs/dbraw/zinc/20/73/68/1038207368.db2.gz KGLURLFJOQRNAR-PXNSSMCTSA-N 1 0 314.473 3.605 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cc(C)ccc2C)c1 ZINC000775363665 1038275080 /nfs/dbraw/zinc/27/50/80/1038275080.db2.gz OEVDJYRCHOQBPH-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775362574 1038275859 /nfs/dbraw/zinc/27/58/59/1038275859.db2.gz IFHREZQHNJRUHS-ZDUSSCGKSA-N 1 0 315.486 3.939 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)c2nccn2C)c(C)n1-c1ccccc1 ZINC000775365177 1038279582 /nfs/dbraw/zinc/27/95/82/1038279582.db2.gz OOIQMNOMUIEPKP-MRXNPFEDSA-N 1 0 322.456 3.721 20 10 DHCDRO COCC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775373607 1038294424 /nfs/dbraw/zinc/29/44/24/1038294424.db2.gz VAIQIXHGDKXYFG-KDOFPFPSSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccccc1O ZINC000775410488 1038380826 /nfs/dbraw/zinc/38/08/26/1038380826.db2.gz ADSIMZCSLVLQIP-SFHVURJKSA-N 1 0 315.413 3.911 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001191130956 1038454601 /nfs/dbraw/zinc/45/46/01/1038454601.db2.gz BOZKINGHBXQQAI-UHFFFAOYSA-N 1 0 300.833 3.964 20 10 DHCDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC1CC=CC1 ZINC001191269380 1038476615 /nfs/dbraw/zinc/47/66/15/1038476615.db2.gz ROBCRIAJJLCFCK-UHFFFAOYSA-N 1 0 310.235 3.943 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc2c1CCOC2 ZINC001191277245 1038478198 /nfs/dbraw/zinc/47/81/98/1038478198.db2.gz JONRFGREJIOSJO-UHFFFAOYSA-N 1 0 311.425 3.877 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)c1ccc(F)cc1 ZINC001191289471 1038481401 /nfs/dbraw/zinc/48/14/01/1038481401.db2.gz NAAWDKFIKUAGIH-LJQANCHMSA-N 1 0 317.404 3.651 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000775483458 1038551270 /nfs/dbraw/zinc/55/12/70/1038551270.db2.gz WBRCMYXJWAYTPF-CABCVRRESA-N 1 0 322.836 3.982 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1O ZINC000775492168 1038562296 /nfs/dbraw/zinc/56/22/96/1038562296.db2.gz MRDQFQMLGUOKKI-WBVHZDCISA-N 1 0 304.478 3.943 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000165726215 1038562839 /nfs/dbraw/zinc/56/28/39/1038562839.db2.gz LXAMSZQLWORVFT-CZUORRHYSA-N 1 0 310.532 3.642 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)ccc1O ZINC000775489899 1038564159 /nfs/dbraw/zinc/56/41/59/1038564159.db2.gz TXWQFUBIFZMQDZ-CYBMUJFWSA-N 1 0 321.833 3.996 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000165754658 1038571987 /nfs/dbraw/zinc/57/19/87/1038571987.db2.gz TZRVWMXGJZCXKG-HZPDHXFCSA-N 1 0 310.532 3.642 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1O ZINC000775501274 1038585322 /nfs/dbraw/zinc/58/53/22/1038585322.db2.gz FJSJALDYBXUONB-INIZCTEOSA-N 1 0 310.869 3.961 20 10 DHCDRO CC[C@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775508405 1038593229 /nfs/dbraw/zinc/59/32/29/1038593229.db2.gz BPVQBLDNLZNBPN-AWEZNQCLSA-N 1 0 305.809 3.593 20 10 DHCDRO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1cc(Cl)ccc1O ZINC000775502135 1038593640 /nfs/dbraw/zinc/59/36/40/1038593640.db2.gz OGGVXZDWLVTTPC-OAHLLOKOSA-N 1 0 308.809 3.934 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O ZINC000775512301 1038606441 /nfs/dbraw/zinc/60/64/41/1038606441.db2.gz IXUPVSHEZIDLJC-CGTJXYLNSA-N 1 0 317.816 3.745 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775513917 1038608542 /nfs/dbraw/zinc/60/85/42/1038608542.db2.gz WMOCDTNYDOEOIZ-FFSVYQOJSA-N 1 0 308.853 3.712 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1O ZINC000775525910 1038652474 /nfs/dbraw/zinc/65/24/74/1038652474.db2.gz OTMHKLFKBBPQGP-SJXGUFTOSA-N 1 0 309.500 3.813 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000775531455 1038669602 /nfs/dbraw/zinc/66/96/02/1038669602.db2.gz DGYXJTBLDXYTER-QGZVFWFLSA-N 1 0 319.832 3.821 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccccc1O ZINC000775551997 1038708857 /nfs/dbraw/zinc/70/88/57/1038708857.db2.gz QJAIHXZDFDUYTC-QFBILLFUSA-N 1 0 311.425 3.999 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccccc1O ZINC000775552017 1038709134 /nfs/dbraw/zinc/70/91/34/1038709134.db2.gz RGQDYKSHHPFEQJ-YOEHRIQHSA-N 1 0 303.402 3.674 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1Br ZINC000226588062 1039725961 /nfs/dbraw/zinc/72/59/61/1039725961.db2.gz JBFRZIXWSJXNSP-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000157974887 1039746927 /nfs/dbraw/zinc/74/69/27/1039746927.db2.gz CGWMXYLPMZXBCG-ZDUSSCGKSA-N 1 0 315.866 3.822 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169149202 1040324949 /nfs/dbraw/zinc/32/49/49/1040324949.db2.gz JOGXUMJWFSBMNY-UXHICEINSA-N 1 0 312.457 3.701 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000761207606 1040592853 /nfs/dbraw/zinc/59/28/53/1040592853.db2.gz QVTHGDBGENPDHS-CYBMUJFWSA-N 1 0 321.829 3.991 20 10 DHCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000174621170 1040788170 /nfs/dbraw/zinc/78/81/70/1040788170.db2.gz AESGIGIVOKHBTP-AWEZNQCLSA-N 1 0 310.388 3.789 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000761225744 1040808445 /nfs/dbraw/zinc/80/84/45/1040808445.db2.gz LJSDGWCQCSOKHP-HNNXBMFYSA-N 1 0 320.452 3.530 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000761226416 1040824642 /nfs/dbraw/zinc/82/46/42/1040824642.db2.gz PXXQOZUEEPACAC-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(OC)cc1 ZINC000236947678 202086258 /nfs/dbraw/zinc/08/62/58/202086258.db2.gz MXFMVLJWFTUMTK-INIZCTEOSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)c1 ZINC000188281970 200221082 /nfs/dbraw/zinc/22/10/82/200221082.db2.gz SEUYXRGQVZIRIV-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)Cc1ccccc1O ZINC000091956523 193132593 /nfs/dbraw/zinc/13/25/93/193132593.db2.gz XQPNCCZVOLGTIL-UHFFFAOYSA-N 1 0 311.303 3.765 20 10 DHCDRO CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000021818373 182293563 /nfs/dbraw/zinc/29/35/63/182293563.db2.gz KNXBYCSZYGKBHK-UHFFFAOYSA-N 1 0 317.260 3.661 20 10 DHCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000028924812 182545576 /nfs/dbraw/zinc/54/55/76/182545576.db2.gz RCFHYLHNYHDQPZ-AWEZNQCLSA-N 1 0 311.429 3.562 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc(O)c1OC ZINC000272324627 130020576 /nfs/dbraw/zinc/02/05/76/130020576.db2.gz VCVYYCCCIJTRMH-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO COCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272323319 130021002 /nfs/dbraw/zinc/02/10/02/130021002.db2.gz QPAMFHFYHOGBTO-KRWDZBQOSA-N 1 0 302.418 3.521 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000272901959 130072356 /nfs/dbraw/zinc/07/23/56/130072356.db2.gz VFGJIHYKSSIUAF-VFVRVIDISA-N 1 0 303.377 3.958 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273353001 130109429 /nfs/dbraw/zinc/10/94/29/130109429.db2.gz CCMWPDAOWHVZFX-AWEZNQCLSA-N 1 0 315.461 3.718 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000273356865 130111212 /nfs/dbraw/zinc/11/12/12/130111212.db2.gz CUZMCVXZAFNYTN-GFCCVEGCSA-N 1 0 318.442 3.896 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273367324 130112317 /nfs/dbraw/zinc/11/23/17/130112317.db2.gz FIXGKVIYDVTOQC-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273482567 130126114 /nfs/dbraw/zinc/12/61/14/130126114.db2.gz MKPIVZTVKJCDOJ-BONVTDFDSA-N 1 0 313.319 3.509 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000273528086 130132463 /nfs/dbraw/zinc/13/24/63/130132463.db2.gz VRNHEENMZJGZKD-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)nc2c1 ZINC000273563867 130137326 /nfs/dbraw/zinc/13/73/26/130137326.db2.gz IYFATOYASLYRIK-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273606721 130144487 /nfs/dbraw/zinc/14/44/87/130144487.db2.gz UIDUZWWGFAHUNI-KSMMKXTCSA-N 1 0 317.404 3.921 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000273723060 130159370 /nfs/dbraw/zinc/15/93/70/130159370.db2.gz ITCNHYNUPADBFP-CQSZACIVSA-N 1 0 306.793 3.719 20 10 DHCDRO COc1cc(Cl)cc(CN2CC=C(C(F)(F)F)CC2)c1O ZINC000273789799 130167401 /nfs/dbraw/zinc/16/74/01/130167401.db2.gz UYZFDNJEQADSMB-UHFFFAOYSA-N 1 0 321.726 3.749 20 10 DHCDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275059195 130288622 /nfs/dbraw/zinc/28/86/22/130288622.db2.gz PAFGUEOBIIFJEJ-VQIMIIECSA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1 ZINC000284069378 131045941 /nfs/dbraw/zinc/04/59/41/131045941.db2.gz LEVCVHYVOZVHME-GUYCJALGSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000284284717 131066858 /nfs/dbraw/zinc/06/68/58/131066858.db2.gz HSWDBYJRDYOXCC-NSHDSACASA-N 1 0 308.328 3.548 20 10 DHCDRO CSc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285628525 131188125 /nfs/dbraw/zinc/18/81/25/131188125.db2.gz RAVQZHYGKCZAOC-UHFFFAOYSA-N 1 0 303.402 3.772 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287081567 131262971 /nfs/dbraw/zinc/26/29/71/131262971.db2.gz ORPICRFPZIMPFH-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O ZINC000287232929 131270382 /nfs/dbraw/zinc/27/03/82/131270382.db2.gz YIEAZXCPILFGFY-MSOLQXFVSA-N 1 0 316.420 3.875 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569373 131330999 /nfs/dbraw/zinc/33/09/99/131330999.db2.gz ZOTWUAYOLBTSQV-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000296044747 131936758 /nfs/dbraw/zinc/93/67/58/131936758.db2.gz UQFXMSQMVZVBOH-ZIAGYGMSSA-N 1 0 313.445 3.899 20 10 DHCDRO COc1ncc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1Cl ZINC000296593693 131974307 /nfs/dbraw/zinc/97/43/07/131974307.db2.gz VDWDRMOCLVMABE-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000297632019 132026468 /nfs/dbraw/zinc/02/64/68/132026468.db2.gz JJSQKGZVQMDNQV-OAHLLOKOSA-N 1 0 301.361 3.707 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000120502573 132144163 /nfs/dbraw/zinc/14/41/63/132144163.db2.gz PUQSQIPSSCKKDT-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000297416417 134659006 /nfs/dbraw/zinc/65/90/06/134659006.db2.gz UJITWISPZJHJSI-JKSUJKDBSA-N 1 0 322.468 3.875 20 10 DHCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000176981925 332966552 /nfs/dbraw/zinc/96/65/52/332966552.db2.gz QTCNMUARIWDPHM-NEPJUHHUSA-N 1 0 316.376 3.902 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1 ZINC000295837928 335139899 /nfs/dbraw/zinc/13/98/99/335139899.db2.gz AHWILLPOPLYNST-LMMKCTJWSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000296462469 335142258 /nfs/dbraw/zinc/14/22/58/335142258.db2.gz NJFUSJGGPGWKEC-HZPDHXFCSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296643006 335145507 /nfs/dbraw/zinc/14/55/07/335145507.db2.gz CGHIROOFUPDPAS-ZJUUUORDSA-N 1 0 306.233 3.758 20 10 DHCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296546244 335146270 /nfs/dbraw/zinc/14/62/70/335146270.db2.gz REVUPAMSWXYLFW-CVEARBPZSA-N 1 0 304.478 3.877 20 10 DHCDRO CC[C@H]([NH2+]CCc1csc(C)n1)c1ccc(N(C)C)cc1 ZINC000268781678 333993964 /nfs/dbraw/zinc/99/39/64/333993964.db2.gz UFFISEVFPBYMQA-KRWDZBQOSA-N 1 0 303.475 3.801 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000271651996 334024992 /nfs/dbraw/zinc/02/49/92/334024992.db2.gz JDHBYXMRXMLZJV-LLVKDONJSA-N 1 0 317.360 3.593 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464613 334047613 /nfs/dbraw/zinc/04/76/13/334047613.db2.gz IHSWOBIPQUVIKQ-AEFFLSMTSA-N 1 0 319.351 3.680 20 10 DHCDRO CCOC(CC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1)OCC ZINC000276480690 334079718 /nfs/dbraw/zinc/07/97/18/334079718.db2.gz GABKYKUAQFTQMF-HNNXBMFYSA-N 1 0 308.466 3.583 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000285414413 334147754 /nfs/dbraw/zinc/14/77/54/334147754.db2.gz XXVSVYRJUNGNMJ-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000325004029 336276273 /nfs/dbraw/zinc/27/62/73/336276273.db2.gz AJGSXBDAERKWNN-OAHLLOKOSA-N 1 0 320.440 3.994 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000526987905 336278476 /nfs/dbraw/zinc/27/84/76/336278476.db2.gz AIBFAIAAZUOQRA-UHFFFAOYSA-N 1 0 304.397 3.653 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000367598992 336826161 /nfs/dbraw/zinc/82/61/61/336826161.db2.gz SVVBPSRXFQYKIO-UHFFFAOYSA-N 1 0 302.805 3.652 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235396 336840914 /nfs/dbraw/zinc/84/09/14/336840914.db2.gz OSXKGUOMJPTOMD-IUODEOHRSA-N 1 0 301.361 3.932 20 10 DHCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)C2 ZINC000368315896 336842293 /nfs/dbraw/zinc/84/22/93/336842293.db2.gz MXSIQPMSCJDKMM-HOCLYGCPSA-N 1 0 321.424 3.716 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000368851108 336854030 /nfs/dbraw/zinc/85/40/30/336854030.db2.gz OLXAOLWNIDWSIE-KRWDZBQOSA-N 1 0 323.396 3.929 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(C)cc1O ZINC000370277235 336881617 /nfs/dbraw/zinc/88/16/17/336881617.db2.gz SYLKIHJLYOANMB-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1cccc([C@H]([NH2+]Cc2ccccc2O)c2ccccn2)c1 ZINC000375073277 337002539 /nfs/dbraw/zinc/00/25/39/337002539.db2.gz DUSLQVJDLXEFBM-FQEVSTJZSA-N 1 0 320.392 3.675 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c(O)c1C ZINC000375234180 337006197 /nfs/dbraw/zinc/00/61/97/337006197.db2.gz PMWDVVBHEKGSQQ-CABCVRRESA-N 1 0 324.424 3.786 20 10 DHCDRO Cc1n[nH]cc1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000375270421 337007032 /nfs/dbraw/zinc/00/70/32/337007032.db2.gz VLBCUKVEXPINBR-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000375345299 337008553 /nfs/dbraw/zinc/00/85/53/337008553.db2.gz NCQTZFJVCGEZAF-MEDUHNTESA-N 1 0 317.360 3.714 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563429 337036872 /nfs/dbraw/zinc/03/68/72/337036872.db2.gz TXIHYYSBJCCKDL-LSDHHAIUSA-N 1 0 307.397 3.990 20 10 DHCDRO OC[C@H]1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)c2ccccc21 ZINC000376957262 337044204 /nfs/dbraw/zinc/04/42/04/337044204.db2.gz JMBQRMVAGREVJF-QRWLVFNGSA-N 1 0 319.404 3.856 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCc3cccnc32)c1 ZINC000377243126 337049263 /nfs/dbraw/zinc/04/92/63/337049263.db2.gz ILGPOUZXFGPIPO-QGZVFWFLSA-N 1 0 312.413 3.695 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000377656288 337057698 /nfs/dbraw/zinc/05/76/98/337057698.db2.gz XBDJATZALKBALY-UHFFFAOYSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@@H]2CCCc3cccnc32)c1 ZINC000377690678 337058464 /nfs/dbraw/zinc/05/84/64/337058464.db2.gz DMOVQCHGKMYQQO-SUMWQHHRSA-N 1 0 312.413 3.866 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Nc2nccs2)CC1 ZINC000377717806 337059542 /nfs/dbraw/zinc/05/95/42/337059542.db2.gz OAHYNNBJWIAVIP-HNNXBMFYSA-N 1 0 317.458 3.876 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1O ZINC000378094893 337066361 /nfs/dbraw/zinc/06/63/61/337066361.db2.gz PDZHAUBPPUGWJL-CQSZACIVSA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1C ZINC000378650565 337077686 /nfs/dbraw/zinc/07/76/86/337077686.db2.gz PRAJBEZLGOLSSG-FQEVSTJZSA-N 1 0 321.424 3.622 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ncc(C)s2)c1O ZINC000228675955 337078116 /nfs/dbraw/zinc/07/81/16/337078116.db2.gz YOFNFCDZCNIJKD-VIFPVBQESA-N 1 0 312.822 3.670 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000180641039 337176911 /nfs/dbraw/zinc/17/69/11/337176911.db2.gz YQRWOTWFMUHYOW-OAHLLOKOSA-N 1 0 319.836 3.597 20 10 DHCDRO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000183617591 337193802 /nfs/dbraw/zinc/19/38/02/337193802.db2.gz PWDXTNDOSJMQQF-LBPRGKRZSA-N 1 0 311.410 3.762 20 10 DHCDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000188950587 337276926 /nfs/dbraw/zinc/27/69/26/337276926.db2.gz QLYJMFXCVLFUQM-HNNXBMFYSA-N 1 0 303.789 3.967 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c1 ZINC000359973621 337441114 /nfs/dbraw/zinc/44/11/14/337441114.db2.gz LTVTXMAWFYDKJP-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(O)c1 ZINC000248492720 337565590 /nfs/dbraw/zinc/56/55/90/337565590.db2.gz JORVAEMCUIDHKX-PAYONLEZSA-N 1 0 301.430 3.699 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)OC)c1 ZINC000527923410 337775307 /nfs/dbraw/zinc/77/53/07/337775307.db2.gz CYKIBGHXPVKWTO-KUHUBIRLSA-N 1 0 315.413 3.748 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000479460007 339536225 /nfs/dbraw/zinc/53/62/25/339536225.db2.gz IVMJZVZBXXZFHE-AHRSYUTCSA-N 1 0 324.468 3.924 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1O ZINC000237415207 341213661 /nfs/dbraw/zinc/21/36/61/341213661.db2.gz KNGZRRQLZYRFQT-OAHLLOKOSA-N 1 0 303.789 3.831 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160975162 520287996 /nfs/dbraw/zinc/28/79/96/520287996.db2.gz CQFFPMPEPYNLHX-OXQOHEQNSA-N 1 0 312.457 3.917 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(F)ccc2OC)c(O)c1 ZINC000189206473 520369285 /nfs/dbraw/zinc/36/92/85/520369285.db2.gz CNXCIZGKAAWCHK-UHFFFAOYSA-N 1 0 319.376 3.619 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2OC)c1O ZINC000236920353 521358988 /nfs/dbraw/zinc/35/89/88/521358988.db2.gz SFFHSDLOPBGBCH-UHFFFAOYSA-N 1 0 315.413 3.824 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1O ZINC000156207134 522661034 /nfs/dbraw/zinc/66/10/34/522661034.db2.gz KVOGKTFGCHKNBJ-AWEZNQCLSA-N 1 0 323.234 3.734 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)cc1OC ZINC000159492300 522773135 /nfs/dbraw/zinc/77/31/35/522773135.db2.gz QCTILEHSDBGEDQ-ZDUSSCGKSA-N 1 0 319.426 3.808 20 10 DHCDRO COc1cc(O)c(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1OC ZINC000179849980 522775038 /nfs/dbraw/zinc/77/50/38/522775038.db2.gz LJGLAHKQHPSEBQ-LBPRGKRZSA-N 1 0 317.385 3.728 20 10 DHCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2cccc(C)c2)cc1OC ZINC000182419130 522776444 /nfs/dbraw/zinc/77/64/44/522776444.db2.gz DCJORXZTBFZKIX-UHFFFAOYSA-N 1 0 315.413 3.743 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1O ZINC000156790130 522884737 /nfs/dbraw/zinc/88/47/37/522884737.db2.gz PVCSRPRXHNXYAP-MRXNPFEDSA-N 1 0 313.397 3.794 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000155864620 522943132 /nfs/dbraw/zinc/94/31/32/522943132.db2.gz RMIZYWDCSMQJAV-MAUKXSAKSA-N 1 0 324.424 3.518 20 10 DHCDRO COc1ccc(O)c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000179917635 524737866 /nfs/dbraw/zinc/73/78/66/524737866.db2.gz XNTIMSPTFSVRSF-UHFFFAOYSA-N 1 0 313.397 3.519 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000182420789 524749220 /nfs/dbraw/zinc/74/92/20/524749220.db2.gz OAPVZCULKKFOAD-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000192790238 524886587 /nfs/dbraw/zinc/88/65/87/524886587.db2.gz VRGYJTJUVVJVSJ-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000266968515 525342841 /nfs/dbraw/zinc/34/28/41/525342841.db2.gz NCLFGYUDONSTSL-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000189308578 525421022 /nfs/dbraw/zinc/42/10/22/525421022.db2.gz WQBTZPAOFZROGS-ZWOKBUDYSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000268989229 525432955 /nfs/dbraw/zinc/43/29/55/525432955.db2.gz QZFFPOZCBBHTQB-CYBMUJFWSA-N 1 0 316.367 3.516 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnccn1 ZINC000157503113 525525532 /nfs/dbraw/zinc/52/55/32/525525532.db2.gz VAUJODBMXROZMM-MRXNPFEDSA-N 1 0 310.445 3.564 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189919127 525939194 /nfs/dbraw/zinc/93/91/94/525939194.db2.gz JNXSQALZPNZRJK-CQSZACIVSA-N 1 0 304.415 3.503 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000152101786 526532497 /nfs/dbraw/zinc/53/24/97/526532497.db2.gz BZYNNIUSZLPNEX-OLZOCXBDSA-N 1 0 301.434 3.639 20 10 DHCDRO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)cc2O)cs1 ZINC000273367557 536514021 /nfs/dbraw/zinc/51/40/21/536514021.db2.gz BSSXCFKFAYEWMY-VXGBXAGGSA-N 1 0 306.431 3.715 20 10 DHCDRO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287298416 535803408 /nfs/dbraw/zinc/80/34/08/535803408.db2.gz CIABGNJBXJJPCX-MRXNPFEDSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275375 536027016 /nfs/dbraw/zinc/02/70/16/536027016.db2.gz QBVIAPOFFLNMGM-XQQFMLRXSA-N 1 0 302.422 3.744 20 10 DHCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 ZINC001167107926 1013149438 /nfs/dbraw/zinc/14/94/38/1013149438.db2.gz LFFFUBRBUHCPNY-LJQANCHMSA-N 1 0 304.478 3.778 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870327 1013190037 /nfs/dbraw/zinc/19/00/37/1013190037.db2.gz GDYNSSQCOMASIB-KDOFPFPSSA-N 1 0 300.450 3.771 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3nc(C)sc32)c1O ZINC000894431671 1013358256 /nfs/dbraw/zinc/35/82/56/1013358256.db2.gz RTZHBPFGSAWCEO-CYBMUJFWSA-N 1 0 318.442 3.641 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)c(O)c1OC ZINC000894668752 1013447569 /nfs/dbraw/zinc/44/75/69/1013447569.db2.gz WGLJYSOFDCIWOQ-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000155410278 1013460803 /nfs/dbraw/zinc/46/08/03/1013460803.db2.gz CWCJTJKIHGCTGN-RCDICMHDSA-N 1 0 317.454 3.592 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000894868866 1013570807 /nfs/dbraw/zinc/57/08/07/1013570807.db2.gz JNNSAKLBZBWFLW-CQSZACIVSA-N 1 0 315.438 3.688 20 10 DHCDRO Oc1ccccc1C[N@H+](CCc1ccns1)C1CCCC1 ZINC001307462307 1013719278 /nfs/dbraw/zinc/71/92/78/1013719278.db2.gz PIONDYZFKYQEHI-UHFFFAOYSA-N 1 0 302.443 3.836 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC000155484381 1013851709 /nfs/dbraw/zinc/85/17/09/1013851709.db2.gz SFGRYSUHTZLHFY-INIZCTEOSA-N 1 0 302.393 3.838 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2cccs2)c1O ZINC000050143599 1014088701 /nfs/dbraw/zinc/08/87/01/1014088701.db2.gz MLRHAYSFJKVDDK-SNVBAGLBSA-N 1 0 307.390 3.988 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000160554643 1014233704 /nfs/dbraw/zinc/23/37/04/1014233704.db2.gz KWJIBJVRXYTTCP-IBGZPJMESA-N 1 0 312.482 3.873 20 10 DHCDRO Cc1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001167431170 1014295794 /nfs/dbraw/zinc/29/57/94/1014295794.db2.gz KPKPECITUVOZOS-UHFFFAOYSA-N 1 0 323.484 3.976 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000707129730 1015086044 /nfs/dbraw/zinc/08/60/44/1015086044.db2.gz RIYPILTVMMDWQI-RISCZKNCSA-N 1 0 310.235 3.919 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2CSC2)cc1 ZINC000895421821 1015148633 /nfs/dbraw/zinc/14/86/33/1015148633.db2.gz ITZNVTJKADAREU-UHFFFAOYSA-N 1 0 318.511 3.837 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000895447576 1015157131 /nfs/dbraw/zinc/15/71/31/1015157131.db2.gz OTBKGDGPWNZOIV-QGZVFWFLSA-N 1 0 319.445 3.538 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000895455313 1015168755 /nfs/dbraw/zinc/16/87/55/1015168755.db2.gz VIMKMSALVJMLKJ-HNNXBMFYSA-N 1 0 311.372 3.594 20 10 DHCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000895658761 1015245981 /nfs/dbraw/zinc/24/59/81/1015245981.db2.gz OCCMAEFWYFFZPK-INIZCTEOSA-N 1 0 305.805 3.647 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000783535157 1015496430 /nfs/dbraw/zinc/49/64/30/1015496430.db2.gz KNRUEKKRTQSQMC-YESZJQIVSA-N 1 0 304.478 3.877 20 10 DHCDRO CCc1cc(C[N@H+](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088695 1015665311 /nfs/dbraw/zinc/66/53/11/1015665311.db2.gz ADTGVHZHYJBUKL-OAHLLOKOSA-N 1 0 305.462 3.720 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1C ZINC000237271292 1015770060 /nfs/dbraw/zinc/77/00/60/1015770060.db2.gz YYFKYBHWSUJVMM-UHFFFAOYSA-N 1 0 310.441 3.676 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277128576 1015900463 /nfs/dbraw/zinc/90/04/63/1015900463.db2.gz YQCOHIZCOUXWIT-UHFFFAOYSA-N 1 0 315.388 3.713 20 10 DHCDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000588489782 1016187451 /nfs/dbraw/zinc/18/74/51/1016187451.db2.gz YHOOZQBFUXOHNP-NSWPXQNRSA-N 1 0 320.452 3.794 20 10 DHCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000588489783 1016188107 /nfs/dbraw/zinc/18/81/07/1016188107.db2.gz YHOOZQBFUXOHNP-OEQZANGBSA-N 1 0 320.452 3.794 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CC(C)C ZINC000184949334 1016464008 /nfs/dbraw/zinc/46/40/08/1016464008.db2.gz DENDQUUFIZUKMD-HUUCEWRRSA-N 1 0 322.449 3.512 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000184962490 1016472959 /nfs/dbraw/zinc/47/29/59/1016472959.db2.gz ZIWYVWLAYMHPMO-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000184962202 1016473333 /nfs/dbraw/zinc/47/33/33/1016473333.db2.gz VENXZTNELVIEKO-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079754 1016545954 /nfs/dbraw/zinc/54/59/54/1016545954.db2.gz LBCACYGIKWOJOG-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1O ZINC000185080183 1016547568 /nfs/dbraw/zinc/54/75/68/1016547568.db2.gz BHTSYWYWUNHAEX-PXAZEXFGSA-N 1 0 320.383 3.624 20 10 DHCDRO CCC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1O ZINC000281563260 1016601937 /nfs/dbraw/zinc/60/19/37/1016601937.db2.gz JXGPDHUXUPHDOU-UHFFFAOYSA-N 1 0 301.434 3.890 20 10 DHCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185186488 1016716402 /nfs/dbraw/zinc/71/64/02/1016716402.db2.gz BHTRHLXOCAFTNQ-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO COCc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccc1F ZINC000113339715 1016907663 /nfs/dbraw/zinc/90/76/63/1016907663.db2.gz JYELCYNMNFFLSU-UHFFFAOYSA-N 1 0 309.768 3.621 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000185489985 1016943738 /nfs/dbraw/zinc/94/37/38/1016943738.db2.gz DVSNQGZXRRYDPG-LLVKDONJSA-N 1 0 324.471 3.690 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1 ZINC000185575418 1017019881 /nfs/dbraw/zinc/01/98/81/1017019881.db2.gz CIFXDVXRSSYXOB-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000320556974 1017052753 /nfs/dbraw/zinc/05/27/53/1017052753.db2.gz KOXSSOOGNNGJFF-IBGZPJMESA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000192785180 1017058308 /nfs/dbraw/zinc/05/83/08/1017058308.db2.gz WJBJYXLXJNNDCU-KBPBESRZSA-N 1 0 313.397 3.884 20 10 DHCDRO COc1ccc(OC)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000475195537 1017064141 /nfs/dbraw/zinc/06/41/41/1017064141.db2.gz OAVYXQGHEAICKO-UHFFFAOYSA-N 1 0 324.424 3.794 20 10 DHCDRO CC(C)c1nnc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000294898858 1032199973 /nfs/dbraw/zinc/19/99/73/1032199973.db2.gz XBCLOEQWPDLUAF-UHFFFAOYSA-N 1 0 322.412 3.591 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772968745 1032205389 /nfs/dbraw/zinc/20/53/89/1032205389.db2.gz ZSJMJHKSNGSKLL-BFYDXBDKSA-N 1 0 320.452 3.892 20 10 DHCDRO CSCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796513988 1032213117 /nfs/dbraw/zinc/21/31/17/1032213117.db2.gz DDNKWZFZZWYKEA-UHFFFAOYSA-N 1 0 300.471 3.905 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H]3C)cc2)CC1 ZINC000294960554 1032223520 /nfs/dbraw/zinc/22/35/20/1032223520.db2.gz KXTYABFLRMSRRS-HOTGVXAUSA-N 1 0 302.462 3.532 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc2ccccc2c1O ZINC000192838596 1017072669 /nfs/dbraw/zinc/07/26/69/1017072669.db2.gz KBUDCEKRKWWKIM-CQSZACIVSA-N 1 0 310.441 3.823 20 10 DHCDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475196814 1017073155 /nfs/dbraw/zinc/07/31/55/1017073155.db2.gz RKECMAWZEAVKHQ-WBVHZDCISA-N 1 0 300.446 3.782 20 10 DHCDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475196812 1017073819 /nfs/dbraw/zinc/07/38/19/1017073819.db2.gz RKECMAWZEAVKHQ-RDJZCZTQSA-N 1 0 300.446 3.782 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000295119608 1032282430 /nfs/dbraw/zinc/28/24/30/1032282430.db2.gz XELXIXLXSWVJBM-CMPLNLGQSA-N 1 0 303.324 3.564 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c(O)c1 ZINC000185647425 1017081181 /nfs/dbraw/zinc/08/11/81/1017081181.db2.gz HIQPMBYTIWOYQJ-HNNXBMFYSA-N 1 0 316.420 3.622 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc2c(cc1O)CCCC2 ZINC000185670193 1017090273 /nfs/dbraw/zinc/09/02/73/1017090273.db2.gz GUJPDKPVQVXSBD-WFASDCNBSA-N 1 0 323.527 3.770 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1C ZINC001171353613 1032512844 /nfs/dbraw/zinc/51/28/44/1032512844.db2.gz HSLYGRFPTAONNK-INIZCTEOSA-N 1 0 317.379 3.929 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)c1O ZINC001171353454 1032512191 /nfs/dbraw/zinc/51/21/91/1032512191.db2.gz GGWPKNUFJZSBPC-OAHLLOKOSA-N 1 0 303.352 3.626 20 10 DHCDRO COc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC000093008316 1032520432 /nfs/dbraw/zinc/52/04/32/1032520432.db2.gz FBGUUWYKVCJETM-INIZCTEOSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000773007036 1032522085 /nfs/dbraw/zinc/52/20/85/1032522085.db2.gz DTUOQKZWWRSBBI-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000773104889 1032559662 /nfs/dbraw/zinc/55/96/62/1032559662.db2.gz GQNAMBKCOUDSBG-VXESANQCSA-N 1 0 314.473 3.754 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773142439 1032574241 /nfs/dbraw/zinc/57/42/41/1032574241.db2.gz ZPDHBXCSILDXPM-DXEWXGHRSA-N 1 0 322.543 3.783 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1F ZINC000799736360 1012496401 /nfs/dbraw/zinc/49/64/01/1012496401.db2.gz OZELKHKMNBIDPZ-GOEBONIOSA-N 1 0 308.441 3.671 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(SC)cc2)c1 ZINC000036994256 1012761216 /nfs/dbraw/zinc/76/12/16/1012761216.db2.gz XWGLORTXLNMOIR-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001208895172 1012768466 /nfs/dbraw/zinc/76/84/66/1012768466.db2.gz ZQMZTPHPWKEOEI-CYBMUJFWSA-N 1 0 300.368 3.917 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000037141963 1012839955 /nfs/dbraw/zinc/83/99/55/1012839955.db2.gz ZGMDALFVVCIYEA-NEPJUHHUSA-N 1 0 303.324 3.612 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000037141960 1012840623 /nfs/dbraw/zinc/84/06/23/1012840623.db2.gz ZGMDALFVVCIYEA-NWDGAFQWSA-N 1 0 303.324 3.612 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000115629657 1032684099 /nfs/dbraw/zinc/68/40/99/1032684099.db2.gz QJOFEWHPYASQDY-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926911094 1032697212 /nfs/dbraw/zinc/69/72/12/1032697212.db2.gz LIXFFVYNRGUECE-MISXGVKJSA-N 1 0 303.324 3.543 20 10 DHCDRO C[N@H+](CCCF)Cc1cc(Cl)cc(Br)c1[O-] ZINC000716639022 1032699644 /nfs/dbraw/zinc/69/96/44/1032699644.db2.gz DCAFJBQBRMMUSE-UHFFFAOYSA-N 1 0 310.594 3.600 20 10 DHCDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363157 1032704924 /nfs/dbraw/zinc/70/49/24/1032704924.db2.gz DAXJGRAJKWLYFM-CYBMUJFWSA-N 1 0 301.817 3.996 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000305740978 1017528593 /nfs/dbraw/zinc/52/85/93/1017528593.db2.gz DUGOCHXGGNAHPE-IBGZPJMESA-N 1 0 323.392 3.721 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950905 1017534461 /nfs/dbraw/zinc/53/44/61/1017534461.db2.gz QFPQDPIHQHAIRI-CQSZACIVSA-N 1 0 318.383 3.508 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000186000785 1017613413 /nfs/dbraw/zinc/61/34/13/1017613413.db2.gz RICKGLBMZHQVQQ-LBPRGKRZSA-N 1 0 307.340 3.708 20 10 DHCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c2[nH]ccc21 ZINC001167624999 1017700388 /nfs/dbraw/zinc/70/03/88/1017700388.db2.gz OYSWWAGHBAGOGA-UHFFFAOYSA-N 1 0 301.434 3.661 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000021812641 1017956325 /nfs/dbraw/zinc/95/63/25/1017956325.db2.gz LXOPEFJUHHJLPZ-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO CCC[N@H+](CCCCn1ccnc1C)Cc1ccccc1O ZINC000161530963 1018043057 /nfs/dbraw/zinc/04/30/57/1018043057.db2.gz QSSDTNKPCGKXON-UHFFFAOYSA-N 1 0 301.434 3.590 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(F)cc1[O-] ZINC000796682019 1018437627 /nfs/dbraw/zinc/43/76/27/1018437627.db2.gz GOEKBNZFLFOOIL-JKSUJKDBSA-N 1 0 322.449 3.936 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3ccccc32)cc1F ZINC000858090330 1032764747 /nfs/dbraw/zinc/76/47/47/1032764747.db2.gz MNZQXFDUCPPFEO-QGZVFWFLSA-N 1 0 302.368 3.808 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000858122811 1032775111 /nfs/dbraw/zinc/77/51/11/1032775111.db2.gz JPPVQXCAAFXFBE-GKCIPKSASA-N 1 0 314.473 3.688 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858131832 1032777652 /nfs/dbraw/zinc/77/76/52/1032777652.db2.gz JWJCUAZHSMWWPM-UHFFFAOYSA-N 1 0 313.420 3.747 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000705777583 1018679764 /nfs/dbraw/zinc/67/97/64/1018679764.db2.gz GNLGZBDZVGAKBY-UHFFFAOYSA-N 1 0 305.752 3.675 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000765255434 1018737693 /nfs/dbraw/zinc/73/76/93/1018737693.db2.gz QLJCSGIMMVXGKX-SJORKVTESA-N 1 0 303.494 3.668 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000765433103 1018783863 /nfs/dbraw/zinc/78/38/63/1018783863.db2.gz VYVPWWVGOWDLPK-MAUKXSAKSA-N 1 0 310.441 3.797 20 10 DHCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765438341 1018786943 /nfs/dbraw/zinc/78/69/43/1018786943.db2.gz IBNVFHMHEYXEJX-IAGOWNOFSA-N 1 0 324.472 3.749 20 10 DHCDRO CCOC1CC(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001116738783 1018795308 /nfs/dbraw/zinc/79/53/08/1018795308.db2.gz MNLJGNWTOJIYTC-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922988714 1018971112 /nfs/dbraw/zinc/97/11/12/1018971112.db2.gz ULBLELPOQOYWLD-UHFFFAOYSA-N 1 0 313.445 3.826 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC3(C)C)CC2)cc1 ZINC000765639135 1019022261 /nfs/dbraw/zinc/02/22/61/1019022261.db2.gz TUKHQYQOJSACAP-GOSISDBHSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000921553398 1019047941 /nfs/dbraw/zinc/04/79/41/1019047941.db2.gz UCTPJHGEGAYYCJ-ZDUSSCGKSA-N 1 0 312.369 3.771 20 10 DHCDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134937581 1019051272 /nfs/dbraw/zinc/05/12/72/1019051272.db2.gz RMUCXVHSBKEZAA-DTWKUNHWSA-N 1 0 304.253 3.557 20 10 DHCDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134922487 1019052593 /nfs/dbraw/zinc/05/25/93/1019052593.db2.gz YFTMHUYYQVAVSX-RKDXNWHRSA-N 1 0 304.253 3.557 20 10 DHCDRO CC(C)OC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921928906 1019137523 /nfs/dbraw/zinc/13/75/23/1019137523.db2.gz QTIPIHHNUJOVCL-UHFFFAOYSA-N 1 0 303.446 3.837 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(F)c2OC(F)F)c1 ZINC000858239412 1032812293 /nfs/dbraw/zinc/81/22/93/1032812293.db2.gz NEUXOFMIFOBYBV-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921992117 1019275414 /nfs/dbraw/zinc/27/54/14/1019275414.db2.gz ZCYHGLDLZLGIAA-GFCCVEGCSA-N 1 0 302.443 3.670 20 10 DHCDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921996167 1019282939 /nfs/dbraw/zinc/28/29/39/1019282939.db2.gz YJTZXGZKRPHWMV-LBPRGKRZSA-N 1 0 302.443 3.670 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2)cc1F ZINC000858257912 1032821319 /nfs/dbraw/zinc/82/13/19/1032821319.db2.gz QRQWIOGKIXAEQK-UHFFFAOYSA-N 1 0 316.420 3.925 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136731019 1019329318 /nfs/dbraw/zinc/32/93/18/1019329318.db2.gz JGWLZATXICRYLN-KRWDZBQOSA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143103334 1019359757 /nfs/dbraw/zinc/35/97/57/1019359757.db2.gz AMGNUBVMWZKRNJ-IFXJQAMLSA-N 1 0 305.462 3.673 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1Cl ZINC000132294136 1019544679 /nfs/dbraw/zinc/54/46/79/1019544679.db2.gz FCBWIAHFFFQTFD-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)c(F)c2)cc1 ZINC001171729885 1032847458 /nfs/dbraw/zinc/84/74/58/1032847458.db2.gz ODXAMKAOQQENJO-UHFFFAOYSA-N 1 0 316.420 3.711 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000367574740 1019837741 /nfs/dbraw/zinc/83/77/41/1019837741.db2.gz IVSJGZZWEMSXLH-PISHQANHSA-N 1 0 317.360 3.713 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2OC)c(O)c1 ZINC000728594811 1019885387 /nfs/dbraw/zinc/88/53/87/1019885387.db2.gz CFVJQNLLGRYFID-UHFFFAOYSA-N 1 0 315.413 3.824 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000922316852 1019998553 /nfs/dbraw/zinc/99/85/53/1019998553.db2.gz UQQXFTPYAPWGFS-UHFFFAOYSA-N 1 0 312.369 3.518 20 10 DHCDRO COc1cc(Br)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000091937426 1020055378 /nfs/dbraw/zinc/05/53/78/1020055378.db2.gz MDCKIWNKUSIKQZ-NXEZZACHSA-N 1 0 314.223 3.536 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585335 1020145184 /nfs/dbraw/zinc/14/51/84/1020145184.db2.gz RMDNVDVGGZQKED-RRFGBZISSA-N 1 0 307.441 3.902 20 10 DHCDRO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC000922586875 1020147324 /nfs/dbraw/zinc/14/73/24/1020147324.db2.gz SNKVXUWNRCXZHI-FQEVSTJZSA-N 1 0 307.441 3.923 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000732049480 1020197371 /nfs/dbraw/zinc/19/73/71/1020197371.db2.gz ZDFOJHXZCUJFAN-ZDUSSCGKSA-N 1 0 323.849 3.579 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCS1 ZINC000922839495 1020303389 /nfs/dbraw/zinc/30/33/89/1020303389.db2.gz UCMKAIOQKVIMKL-ZJUUUORDSA-N 1 0 316.264 3.528 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccco1 ZINC000733326069 1020371634 /nfs/dbraw/zinc/37/16/34/1020371634.db2.gz HDFVIDHUUBIFKX-OAHLLOKOSA-N 1 0 322.836 3.811 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCOc2cccc(Cl)c2)cc1F ZINC000733324966 1020372887 /nfs/dbraw/zinc/37/28/87/1020372887.db2.gz ODRMIWAQTFIXSO-UHFFFAOYSA-N 1 0 322.811 3.714 20 10 DHCDRO CCOc1ccccc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733327902 1020374166 /nfs/dbraw/zinc/37/41/66/1020374166.db2.gz FBXSRSJBNIEZPB-UHFFFAOYSA-N 1 0 316.420 3.623 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000733327435 1020375139 /nfs/dbraw/zinc/37/51/39/1020375139.db2.gz XIPWBDIXXPHDHT-APWZRJJASA-N 1 0 310.441 3.626 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000733331843 1020376152 /nfs/dbraw/zinc/37/61/52/1020376152.db2.gz JNNYJROKVDQBDF-CQSZACIVSA-N 1 0 319.788 3.668 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000733334297 1020377476 /nfs/dbraw/zinc/37/74/76/1020377476.db2.gz FDEUDPINYRRISP-INIZCTEOSA-N 1 0 308.853 3.542 20 10 DHCDRO c1coc(-c2ncc(C[NH2+]Cc3ccc4c(c3)CCO4)s2)c1 ZINC000785447453 1020443073 /nfs/dbraw/zinc/44/30/73/1020443073.db2.gz HYMLDIHLBLWFBU-UHFFFAOYSA-N 1 0 312.394 3.628 20 10 DHCDRO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765855164 1020520833 /nfs/dbraw/zinc/52/08/33/1020520833.db2.gz UWONQNWBCMMYRX-ULQDDVLXSA-N 1 0 303.494 3.666 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765877002 1020539078 /nfs/dbraw/zinc/53/90/78/1020539078.db2.gz MLCOZAUTGTWIRU-KKSFZXQISA-N 1 0 324.468 3.627 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042307 1020553123 /nfs/dbraw/zinc/55/31/23/1020553123.db2.gz GOCFPQQRNDRDCC-UYAOXDASSA-N 1 0 324.472 3.969 20 10 DHCDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140748525 1020600824 /nfs/dbraw/zinc/60/08/24/1020600824.db2.gz HREQGBGJMADQPB-ZDUSSCGKSA-N 1 0 301.386 3.608 20 10 DHCDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000858485434 1032914563 /nfs/dbraw/zinc/91/45/63/1032914563.db2.gz MXVVMZSLARJNFS-GOEBONIOSA-N 1 0 301.430 3.993 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)c(O)c1OC ZINC000892510256 1020677949 /nfs/dbraw/zinc/67/79/49/1020677949.db2.gz VXFRFRTVWMBMLH-LLVKDONJSA-N 1 0 321.442 3.939 20 10 DHCDRO CCOC(=O)C1(C)CCC([N@H+](CC)Cc2ccccc2O)CC1 ZINC001171956777 1032923097 /nfs/dbraw/zinc/92/30/97/1032923097.db2.gz OOUCKOVMQXUDBF-UHFFFAOYSA-N 1 0 319.445 3.726 20 10 DHCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000738436354 1020875370 /nfs/dbraw/zinc/87/53/70/1020875370.db2.gz UFXNOCUDHTYKNV-GFCCVEGCSA-N 1 0 306.450 3.982 20 10 DHCDRO CCc1cc(C[N@@H+]2CC[C@@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000739867401 1020919125 /nfs/dbraw/zinc/91/91/25/1020919125.db2.gz BUYHJEPQZDRZHS-OAHLLOKOSA-N 1 0 305.462 3.720 20 10 DHCDRO CC(C)OCCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000740857680 1020955244 /nfs/dbraw/zinc/95/52/44/1020955244.db2.gz FTPRBGUUZSIIQL-UHFFFAOYSA-N 1 0 309.450 3.642 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)cc1C ZINC000742368859 1021107339 /nfs/dbraw/zinc/10/73/39/1021107339.db2.gz QFVCPLMFVWGPBN-UHFFFAOYSA-N 1 0 305.805 3.955 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCCC2 ZINC000742390657 1021110547 /nfs/dbraw/zinc/11/05/47/1021110547.db2.gz KZKZCCZEOHHSDT-HZPDHXFCSA-N 1 0 309.837 3.873 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCCC2 ZINC000742390654 1021110832 /nfs/dbraw/zinc/11/08/32/1021110832.db2.gz KZKZCCZEOHHSDT-CVEARBPZSA-N 1 0 309.837 3.873 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000742372243 1021113312 /nfs/dbraw/zinc/11/33/12/1021113312.db2.gz KIMSLRCOCQCYHS-HNAYVOBHSA-N 1 0 311.425 3.700 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000742372242 1021113507 /nfs/dbraw/zinc/11/35/07/1021113507.db2.gz KIMSLRCOCQCYHS-DNVCBOLYSA-N 1 0 311.425 3.700 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@H](CC1CC1)c1ccccc1)OCO2 ZINC000742378652 1021115295 /nfs/dbraw/zinc/11/52/95/1021115295.db2.gz XCRMWGSTMCJLMZ-MRXNPFEDSA-N 1 0 311.381 3.752 20 10 DHCDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000742379681 1021116465 /nfs/dbraw/zinc/11/64/65/1021116465.db2.gz YUVRJZGCKTVZSW-HNNXBMFYSA-N 1 0 316.420 3.757 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000742696740 1021150386 /nfs/dbraw/zinc/15/03/86/1021150386.db2.gz JGFGLVCBPWLGDP-QGZVFWFLSA-N 1 0 316.489 3.829 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000858592814 1032958073 /nfs/dbraw/zinc/95/80/73/1032958073.db2.gz LUFGQKUDAQQEMT-SCDSUCTJSA-N 1 0 317.351 3.877 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000176985742 1021191319 /nfs/dbraw/zinc/19/13/19/1021191319.db2.gz MYMMWQISRJXXOH-GHMZBOCLSA-N 1 0 304.321 3.851 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000154317801 1021211732 /nfs/dbraw/zinc/21/17/32/1021211732.db2.gz RHENNDJCOLBJMO-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO CCC(CC)[C@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000917394719 1021248926 /nfs/dbraw/zinc/24/89/26/1021248926.db2.gz PVTZHGKSMGKSBK-IBGZPJMESA-N 1 0 316.489 3.612 20 10 DHCDRO Cc1cc(C[NH2+]C[C@@H]2CCCOC2)c(C)n1-c1cccc(C)c1 ZINC000917397803 1021251072 /nfs/dbraw/zinc/25/10/72/1021251072.db2.gz VAWAGEGAGJJZSX-SFHVURJKSA-N 1 0 312.457 3.919 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cccn2C)c(O)c(C(C)(C)C)c1 ZINC000164503933 1021263629 /nfs/dbraw/zinc/26/36/29/1021263629.db2.gz HUEQFGTVRNILKZ-UHFFFAOYSA-N 1 0 316.445 3.669 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1O ZINC000181596041 1021269340 /nfs/dbraw/zinc/26/93/40/1021269340.db2.gz OXWJJSYWLSRLRZ-VIFPVBQESA-N 1 0 323.314 3.863 20 10 DHCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000743398413 1021284355 /nfs/dbraw/zinc/28/43/55/1021284355.db2.gz HQSIXNKDUFTFNN-SJORKVTESA-N 1 0 305.487 3.987 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000918021585 1021421802 /nfs/dbraw/zinc/42/18/02/1021421802.db2.gz BGRMMPPWJMOPTG-OAHLLOKOSA-N 1 0 314.404 3.718 20 10 DHCDRO COc1cc(C[NH2+]CCCC(C)(C)CO)c(O)c(C(C)(C)C)c1 ZINC000850155762 1021428495 /nfs/dbraw/zinc/42/84/95/1021428495.db2.gz KELVJOJFBJSQPH-UHFFFAOYSA-N 1 0 323.477 3.587 20 10 DHCDRO CCc1cc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)on1 ZINC000850157850 1021430659 /nfs/dbraw/zinc/43/06/59/1021430659.db2.gz MNAKMNQIWGTPGO-UHFFFAOYSA-N 1 0 318.417 3.539 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)c(O)c(C(C)(C)C)c1 ZINC000850302711 1021471115 /nfs/dbraw/zinc/47/11/15/1021471115.db2.gz VDNMWUWSUMDWQJ-CYBMUJFWSA-N 1 0 323.502 3.931 20 10 DHCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850320897 1021472181 /nfs/dbraw/zinc/47/21/81/1021472181.db2.gz HPWGYPWINQKNHY-IAGOWNOFSA-N 1 0 321.461 3.746 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850318263 1021472435 /nfs/dbraw/zinc/47/24/35/1021472435.db2.gz QVEPEDMVGLUFRV-SGTLLEGYSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3sccc3Cl)C2)cc1 ZINC000850347800 1021480608 /nfs/dbraw/zinc/48/06/08/1021480608.db2.gz XVJIOMHDUYSWAF-LBPRGKRZSA-N 1 0 322.861 3.779 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000850346391 1021481742 /nfs/dbraw/zinc/48/17/42/1021481742.db2.gz UAOSLWUIAPTUPE-GFCCVEGCSA-N 1 0 322.861 3.779 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000850365873 1021489788 /nfs/dbraw/zinc/48/97/88/1021489788.db2.gz RYHKJBCXECGQFU-QGZVFWFLSA-N 1 0 319.351 3.573 20 10 DHCDRO CCOCc1cc(C[NH2+]C(C)(C2CC2)C2CC2)ccc1OC ZINC000850396937 1021508309 /nfs/dbraw/zinc/50/83/09/1021508309.db2.gz BYCMDDFVGLYXBR-UHFFFAOYSA-N 1 0 303.446 3.900 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000850405459 1021513848 /nfs/dbraw/zinc/51/38/48/1021513848.db2.gz OHSFLUBMKCIBFM-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000850408870 1021515479 /nfs/dbraw/zinc/51/54/79/1021515479.db2.gz HJOZFJZDSPPRHB-OCVRTMJMSA-N 1 0 322.427 3.833 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC2SCCS2)cc1 ZINC000850407466 1021515872 /nfs/dbraw/zinc/51/58/72/1021515872.db2.gz JGKJBQJPZYQUMY-ONEGZZNKSA-N 1 0 308.516 3.552 20 10 DHCDRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850412110 1021516908 /nfs/dbraw/zinc/51/69/08/1021516908.db2.gz SWGGLRVHPWXHSK-MRXNPFEDSA-N 1 0 311.381 3.597 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695121198 1021525169 /nfs/dbraw/zinc/52/51/69/1021525169.db2.gz XLGVVVGSVARKNM-LLVKDONJSA-N 1 0 320.177 3.822 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2c(c1)CCCO2 ZINC000850431002 1021528568 /nfs/dbraw/zinc/52/85/68/1021528568.db2.gz XUXFOFPTXTYDMO-CQSZACIVSA-N 1 0 309.409 3.797 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)c2c1c(F)ccc2O ZINC000850481317 1021556926 /nfs/dbraw/zinc/55/69/26/1021556926.db2.gz JGBHHLWVVSAFFT-MBNYWOFBSA-N 1 0 306.425 3.542 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccsc3)C2)cc1 ZINC000850486642 1021558638 /nfs/dbraw/zinc/55/86/38/1021558638.db2.gz CLJNICDOUJNMIA-ZFWWWQNUSA-N 1 0 302.443 3.686 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000850486151 1021559647 /nfs/dbraw/zinc/55/96/47/1021559647.db2.gz GWJOWDKKGPFLCW-MAUKXSAKSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3sccc3C)C2)cc1 ZINC000850487008 1021561484 /nfs/dbraw/zinc/56/14/84/1021561484.db2.gz DYXXZXOLKSFRID-CABCVRRESA-N 1 0 316.470 3.995 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)c(O)c1 ZINC000850500398 1021562497 /nfs/dbraw/zinc/56/24/97/1021562497.db2.gz GQWRBIZTZFLSMM-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000850500450 1021563729 /nfs/dbraw/zinc/56/37/29/1021563729.db2.gz DLFHMFITLQLIGA-CYBMUJFWSA-N 1 0 309.450 3.629 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1ccccc1O ZINC000850505073 1021566249 /nfs/dbraw/zinc/56/62/49/1021566249.db2.gz MASSLVQLYXSRLE-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccccc1O ZINC000850515298 1021573529 /nfs/dbraw/zinc/57/35/29/1021573529.db2.gz VYFVWGNZPLIQFB-QZTJIDSGSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1ccccc1O ZINC000850523102 1021575710 /nfs/dbraw/zinc/57/57/10/1021575710.db2.gz YWPTYANHLILPSM-NWDGAFQWSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000850520334 1021575876 /nfs/dbraw/zinc/57/58/76/1021575876.db2.gz ZZFLHCWZHMJXEA-RHSMWYFYSA-N 1 0 324.415 3.752 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000850531539 1021584828 /nfs/dbraw/zinc/58/48/28/1021584828.db2.gz LHKKQOKNZNQSGP-SZMVWBNQSA-N 1 0 311.425 3.924 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cn(C)c3ccccc23)c1O ZINC000850535391 1021589719 /nfs/dbraw/zinc/58/97/19/1021589719.db2.gz VUCJVUHNZCNYKO-CQSZACIVSA-N 1 0 324.424 3.786 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000850535682 1021590278 /nfs/dbraw/zinc/59/02/78/1021590278.db2.gz ZFPPRTBONASOBY-LLVKDONJSA-N 1 0 319.836 3.816 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cn(C)c3ccccc23)c1O ZINC000850535389 1021591299 /nfs/dbraw/zinc/59/12/99/1021591299.db2.gz VUCJVUHNZCNYKO-AWEZNQCLSA-N 1 0 324.424 3.786 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850539324 1021593755 /nfs/dbraw/zinc/59/37/55/1021593755.db2.gz RXNCXVVEDRFPLQ-CVEARBPZSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000850544356 1021598459 /nfs/dbraw/zinc/59/84/59/1021598459.db2.gz GERUTXRHLJMRTK-WMZOPIPTSA-N 1 0 316.489 3.736 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850557933 1021603694 /nfs/dbraw/zinc/60/36/94/1021603694.db2.gz ONAGEMLHCSHBDG-IFXJQAMLSA-N 1 0 320.452 3.748 20 10 DHCDRO COc1cccc(CCC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182324085 1021604820 /nfs/dbraw/zinc/60/48/20/1021604820.db2.gz NFLZKQIDYGBALG-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCCCCC2)c1 ZINC000182323667 1021605079 /nfs/dbraw/zinc/60/50/79/1021605079.db2.gz YTGPDNXCLMAITL-CQSZACIVSA-N 1 0 307.434 3.791 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850566735 1021611365 /nfs/dbraw/zinc/61/13/65/1021611365.db2.gz ROZXGNYWIJBLCV-CQSZACIVSA-N 1 0 316.470 3.560 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1O ZINC000850572501 1021614908 /nfs/dbraw/zinc/61/49/08/1021614908.db2.gz KUGMCZUMHSPECB-ZJNRKIDTSA-N 1 0 319.832 3.861 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(O)c1C ZINC000850573112 1021616627 /nfs/dbraw/zinc/61/66/27/1021616627.db2.gz JIQOIAHRCYPLID-BXWFABGCSA-N 1 0 313.441 3.824 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(O)c1 ZINC000850574437 1021616791 /nfs/dbraw/zinc/61/67/91/1021616791.db2.gz YKNFCAWUXQMYSN-JTDSTZFVSA-N 1 0 313.441 3.824 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850584846 1021625018 /nfs/dbraw/zinc/62/50/18/1021625018.db2.gz UAAPSJMPHXLLPQ-YRNRMSPPSA-N 1 0 312.457 3.915 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCCCC2)c(F)c1 ZINC000178311334 1021629171 /nfs/dbraw/zinc/62/91/71/1021629171.db2.gz WDBZQMPYPMRUGA-KOJWFEOWSA-N 1 0 318.436 3.787 20 10 DHCDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894068 1021643838 /nfs/dbraw/zinc/64/38/38/1021643838.db2.gz OUERRQQOGHPCBM-UWVAXJGDSA-N 1 0 318.505 3.787 20 10 DHCDRO Cn1cncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294510102 1021731170 /nfs/dbraw/zinc/73/11/70/1021731170.db2.gz YRRXBSRIPPQEKW-IBGZPJMESA-N 1 0 321.424 3.589 20 10 DHCDRO CC[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000892973910 1021753358 /nfs/dbraw/zinc/75/33/58/1021753358.db2.gz YJFFFZQKIAEIDG-IBGZPJMESA-N 1 0 315.413 3.824 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1ccoc1 ZINC000183139287 1022011302 /nfs/dbraw/zinc/01/13/02/1022011302.db2.gz TYPCXFMJCCAKFV-UHFFFAOYSA-N 1 0 309.365 3.854 20 10 DHCDRO COc1ccc(C[NH2+]CC(C)(C)N2CCC[C@H](C)C2)cc1C ZINC000920181185 1022071866 /nfs/dbraw/zinc/07/18/66/1022071866.db2.gz GHGWRADTMOQIIN-HNNXBMFYSA-N 1 0 304.478 3.604 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C1CCOCC1 ZINC000766385758 1022084869 /nfs/dbraw/zinc/08/48/69/1022084869.db2.gz AGTJOMSAPMOPTO-DNVCBOLYSA-N 1 0 304.478 3.999 20 10 DHCDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(F)ccc2O)C2CC2)c1 ZINC000179933533 1022093824 /nfs/dbraw/zinc/09/38/24/1022093824.db2.gz RTMSRJZNNBHOFF-UHFFFAOYSA-N 1 0 316.332 3.604 20 10 DHCDRO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1O ZINC000183415352 1022137379 /nfs/dbraw/zinc/13/73/79/1022137379.db2.gz ZXMSSBXUZFFSQG-AWEZNQCLSA-N 1 0 312.413 3.959 20 10 DHCDRO Cc1cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)ccc1N(C)C ZINC000852592889 1022146273 /nfs/dbraw/zinc/14/62/73/1022146273.db2.gz XRMRXVRXGKQXSR-HXUWFJFHSA-N 1 0 316.489 3.842 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2c[nH]nc2C)cc1F ZINC000180508625 1022146304 /nfs/dbraw/zinc/14/63/04/1022146304.db2.gz PVKMIHXDRGQZIV-GFCCVEGCSA-N 1 0 304.413 3.554 20 10 DHCDRO CC(C)c1nnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000766548734 1022188717 /nfs/dbraw/zinc/18/87/17/1022188717.db2.gz DVCWKRRSERYJNE-LBPRGKRZSA-N 1 0 304.463 3.578 20 10 DHCDRO CCC[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1O ZINC000110990430 1022190875 /nfs/dbraw/zinc/19/08/75/1022190875.db2.gz RMSMRIBERLSCNE-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183630838 1022225995 /nfs/dbraw/zinc/22/59/95/1022225995.db2.gz GGZPXQWBFAICBB-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1csc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756403451 1022265425 /nfs/dbraw/zinc/26/54/25/1022265425.db2.gz YKCPCIMPFGTPMK-CABZTGNLSA-N 1 0 306.406 3.677 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(-n2ncc3c2cccc3C[NH3+])cc1 ZINC001169192807 1022291655 /nfs/dbraw/zinc/29/16/55/1022291655.db2.gz RFPRFLLWHMKHFZ-UHFFFAOYSA-N 1 0 316.408 3.892 20 10 DHCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1O)C2 ZINC000853565734 1022293314 /nfs/dbraw/zinc/29/33/14/1022293314.db2.gz JKCUOXVKCTUULR-VBKZILBWSA-N 1 0 323.392 3.760 20 10 DHCDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1O)C2 ZINC000853565735 1022294455 /nfs/dbraw/zinc/29/44/55/1022294455.db2.gz JKCUOXVKCTUULR-VLIAUNLRSA-N 1 0 323.392 3.760 20 10 DHCDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccccc1O ZINC000183725052 1022325150 /nfs/dbraw/zinc/32/51/50/1022325150.db2.gz YLYQCKFFZJVXOH-AWEZNQCLSA-N 1 0 307.397 3.644 20 10 DHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)CCC2 ZINC000363859369 1022345304 /nfs/dbraw/zinc/34/53/04/1022345304.db2.gz FTZFIONDRDPPKH-CVEARBPZSA-N 1 0 313.445 3.742 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756461542 1022399300 /nfs/dbraw/zinc/39/93/00/1022399300.db2.gz UPIGDTBFCDCQPR-ISTRZQFTSA-N 1 0 315.388 3.711 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854223215 1022433392 /nfs/dbraw/zinc/43/33/92/1022433392.db2.gz RFSWTDAKIXSLQL-NZSAHSFTSA-N 1 0 310.441 3.579 20 10 DHCDRO COCCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000185228355 1022467807 /nfs/dbraw/zinc/46/78/07/1022467807.db2.gz RSEQTGKXBWRPGH-UHFFFAOYSA-N 1 0 303.446 3.698 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185744676 1022519200 /nfs/dbraw/zinc/51/92/00/1022519200.db2.gz KCQPWDWWRKSJIO-BDJLRTHQSA-N 1 0 301.361 3.878 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1cccc(O)c1 ZINC000179770827 1022531616 /nfs/dbraw/zinc/53/16/16/1022531616.db2.gz MUCQKRZNKWCYQV-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2scnc2C)cc1 ZINC000179766488 1022532998 /nfs/dbraw/zinc/53/29/98/1022532998.db2.gz VNXWTQUVOBWTGM-UHFFFAOYSA-N 1 0 303.475 3.930 20 10 DHCDRO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1O ZINC000179902482 1022571902 /nfs/dbraw/zinc/57/19/02/1022571902.db2.gz GTZPQKPPWKOAPR-NSHDSACASA-N 1 0 300.383 3.960 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240016 1033065590 /nfs/dbraw/zinc/06/55/90/1033065590.db2.gz JWDJNFQUYSBPPA-QBXFWIFKSA-N 1 0 313.441 3.708 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 ZINC000109000703 1022640120 /nfs/dbraw/zinc/64/01/20/1022640120.db2.gz AQXVZTQTYNFHBW-UHFFFAOYSA-N 1 0 307.397 3.579 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180183012 1022652643 /nfs/dbraw/zinc/65/26/43/1022652643.db2.gz WNFURDLZJMDRTF-UHFFFAOYSA-N 1 0 321.424 3.985 20 10 DHCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000763645457 1022655569 /nfs/dbraw/zinc/65/55/69/1022655569.db2.gz GQFIDQSCGQVUSQ-NSHDSACASA-N 1 0 310.235 3.919 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c(O)c1C ZINC000756529622 1022754641 /nfs/dbraw/zinc/75/46/41/1022754641.db2.gz UOOIDDFKORZECC-AWEZNQCLSA-N 1 0 322.449 3.527 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776882028 1022800506 /nfs/dbraw/zinc/80/05/06/1022800506.db2.gz FKPFNAVZQUOBAT-KGLIPLIRSA-N 1 0 306.425 3.502 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C)CCOC(C)(C)C)c2c1 ZINC000767776429 1022804242 /nfs/dbraw/zinc/80/42/42/1022804242.db2.gz VEWYSCPJACGUKE-UHFFFAOYSA-N 1 0 317.429 3.801 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)cc1 ZINC000189105878 1022830536 /nfs/dbraw/zinc/83/05/36/1022830536.db2.gz UYYUIPFWMQXXRZ-IBGZPJMESA-N 1 0 314.473 3.976 20 10 DHCDRO CCOc1cncc(C[NH2+]Cc2ccc(N(CC)CC)cc2)c1 ZINC000856765658 1022857942 /nfs/dbraw/zinc/85/79/42/1022857942.db2.gz JARFRWQTNUCNPJ-UHFFFAOYSA-N 1 0 313.445 3.616 20 10 DHCDRO COc1cc(C[NH2+]CC[C@H]2CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000856802333 1022872470 /nfs/dbraw/zinc/87/24/70/1022872470.db2.gz GKBBIHOFHIJBKP-LBPRGKRZSA-N 1 0 313.388 3.833 20 10 DHCDRO CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(N(C)C)cc1 ZINC000768133727 1022901470 /nfs/dbraw/zinc/90/14/70/1022901470.db2.gz LQIOSFPHLXQYCA-UHFFFAOYSA-N 1 0 308.429 3.651 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000768159392 1022908599 /nfs/dbraw/zinc/90/85/99/1022908599.db2.gz DQBZQCDQSAXCEK-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO CCOc1cccc(C[N@H+](CCOC)Cc2cccs2)c1O ZINC000768199101 1022913917 /nfs/dbraw/zinc/91/39/17/1022913917.db2.gz ZHCANTKDVPTYPP-UHFFFAOYSA-N 1 0 321.442 3.501 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000768196353 1022926073 /nfs/dbraw/zinc/92/60/73/1022926073.db2.gz PTSWRSXXPKUQIK-KRWDZBQOSA-N 1 0 322.452 3.643 20 10 DHCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(F)cc2F)c1O ZINC000768233746 1022929767 /nfs/dbraw/zinc/92/97/67/1022929767.db2.gz RAIHSQXUGQFKPI-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000876549313 1033088930 /nfs/dbraw/zinc/08/89/30/1033088930.db2.gz AWTPBBFOLAILKP-UHFFFAOYSA-N 1 0 324.424 3.551 20 10 DHCDRO Cc1cccc(CCC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825883208 1033089046 /nfs/dbraw/zinc/08/90/46/1033089046.db2.gz UEHIGKNCWDCOJU-UHFFFAOYSA-N 1 0 304.821 3.780 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CC(C)C)C2)cc1OC ZINC000768464438 1022972966 /nfs/dbraw/zinc/97/29/66/1022972966.db2.gz RDYSTIKPFFMMIT-CQSZACIVSA-N 1 0 307.434 3.668 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC(CC(C)C)CC2)cc1OC ZINC000768465173 1022974012 /nfs/dbraw/zinc/97/40/12/1022974012.db2.gz YEOLYEHMWXFFEN-UHFFFAOYSA-N 1 0 307.434 3.668 20 10 DHCDRO CC[N@H+](Cc1cc(C)ccc1O)Cc1ccc(OC)cc1OC ZINC000768497103 1022976849 /nfs/dbraw/zinc/97/68/49/1022976849.db2.gz VELHRNXNLKCJDV-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO CCCN(CCC)c1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000768530702 1022984154 /nfs/dbraw/zinc/98/41/54/1022984154.db2.gz OPDXSIMYQVCYOU-UHFFFAOYSA-N 1 0 317.521 3.839 20 10 DHCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539884 1022986106 /nfs/dbraw/zinc/98/61/06/1022986106.db2.gz DDLZNLDRWNHKAZ-IBGZPJMESA-N 1 0 316.489 3.925 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278831205 1022992569 /nfs/dbraw/zinc/99/25/69/1022992569.db2.gz UARREXZZHFUZLW-ZDMBXUJBSA-N 1 0 304.217 3.775 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1OC(F)F)CC2 ZINC000296101377 1023003552 /nfs/dbraw/zinc/00/35/52/1023003552.db2.gz UJEBAPFBYFQIBH-CYBMUJFWSA-N 1 0 305.324 3.771 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(Br)c1)CC2 ZINC000297716174 1023021995 /nfs/dbraw/zinc/02/19/95/1023021995.db2.gz MZWFZUHMGPNVPK-AWEZNQCLSA-N 1 0 318.214 3.932 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)CCCOc2ccc(F)cc2)c1 ZINC000768868584 1023043584 /nfs/dbraw/zinc/04/35/84/1023043584.db2.gz MGIDEQDRLBIRLC-UHFFFAOYSA-N 1 0 303.377 3.741 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000768902373 1023052396 /nfs/dbraw/zinc/05/23/96/1023052396.db2.gz DUMHVIRLFBQTRA-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO CC[C@@H]([NH2+]CCCSC)c1cc(Br)ccc1O ZINC000069432709 1023058597 /nfs/dbraw/zinc/05/85/97/1023058597.db2.gz PALHIEGDDALIRB-GFCCVEGCSA-N 1 0 318.280 3.949 20 10 DHCDRO CC(C)COC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768938803 1023061278 /nfs/dbraw/zinc/06/12/78/1023061278.db2.gz UAHNBGSDQMAUSF-UHFFFAOYSA-N 1 0 308.441 3.529 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000768999849 1023075563 /nfs/dbraw/zinc/07/55/63/1023075563.db2.gz QBMVBTWGNAMQST-UHFFFAOYSA-N 1 0 316.832 3.758 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(O)c1 ZINC000769106455 1023084780 /nfs/dbraw/zinc/08/47/80/1023084780.db2.gz TXUMWXJCZXAGMQ-SFHVURJKSA-N 1 0 313.397 3.834 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000769105163 1023085885 /nfs/dbraw/zinc/08/58/85/1023085885.db2.gz NBRUKCKNEJDYID-QGZVFWFLSA-N 1 0 313.397 3.834 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)c(O)c1 ZINC000769229834 1023103403 /nfs/dbraw/zinc/10/34/03/1023103403.db2.gz SSLHZBLPJMJKPS-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO COc1cccc(C[NH+]2CCC(C)(c3ccccc3)CC2)c1O ZINC000769337623 1023128467 /nfs/dbraw/zinc/12/84/67/1023128467.db2.gz GJBSMIGWLNRTFN-UHFFFAOYSA-N 1 0 311.425 3.955 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000769339628 1023128584 /nfs/dbraw/zinc/12/85/84/1023128584.db2.gz UHXRAGIVMJFWSC-OAHLLOKOSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000769337503 1023129222 /nfs/dbraw/zinc/12/92/22/1023129222.db2.gz JNRVWWZMBAUOEI-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO CCC[N@@H+](Cc1ccc(OCC)cc1O)C[C@H]1CCCCO1 ZINC000769339472 1023129310 /nfs/dbraw/zinc/12/93/10/1023129310.db2.gz PYJWEKFRVSUBMT-QGZVFWFLSA-N 1 0 307.434 3.572 20 10 DHCDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769405384 1023143312 /nfs/dbraw/zinc/14/33/12/1023143312.db2.gz UXWZFDKRMFYNNR-IMFGXOCKSA-N 1 0 314.473 3.676 20 10 DHCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000769422615 1023145377 /nfs/dbraw/zinc/14/53/77/1023145377.db2.gz KQXLFZXMNIINJD-SFHVURJKSA-N 1 0 304.478 3.781 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000769427339 1023146257 /nfs/dbraw/zinc/14/62/57/1023146257.db2.gz VVPAIQZFEZJRRS-OAQYLSRUSA-N 1 0 324.468 3.625 20 10 DHCDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769452266 1023158014 /nfs/dbraw/zinc/15/80/14/1023158014.db2.gz UVDQUBFFVYESRR-IRXDYDNUSA-N 1 0 302.462 3.534 20 10 DHCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000769497391 1023166302 /nfs/dbraw/zinc/16/63/02/1023166302.db2.gz CRYFZDVAPLKEIU-KRWDZBQOSA-N 1 0 319.832 3.819 20 10 DHCDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2O)cc1F ZINC000769495381 1023166518 /nfs/dbraw/zinc/16/65/18/1023166518.db2.gz PKTRRCXZLITBMU-ZDUSSCGKSA-N 1 0 303.377 3.508 20 10 DHCDRO CCC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769503400 1023169094 /nfs/dbraw/zinc/16/90/94/1023169094.db2.gz JYGSESKJBYRNMF-KRWDZBQOSA-N 1 0 302.462 3.535 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H](CO)C(C)(C)C ZINC000769533853 1023173221 /nfs/dbraw/zinc/17/32/21/1023173221.db2.gz QHFVTBYSVSNQSX-IBGZPJMESA-N 1 0 313.441 3.898 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](CO)c3ccccc32)c(O)c1C ZINC000364437629 1023174202 /nfs/dbraw/zinc/17/42/02/1023174202.db2.gz DFQDAWMOIQYSQH-QMTMVMCOSA-N 1 0 311.425 3.881 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000769533214 1023174398 /nfs/dbraw/zinc/17/43/98/1023174398.db2.gz PLKKOIUDDFWSNU-HXUWFJFHSA-N 1 0 316.489 3.925 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c(O)c1 ZINC000769551075 1023176955 /nfs/dbraw/zinc/17/69/55/1023176955.db2.gz UZESNOCXNZRITD-GDBMZVCRSA-N 1 0 309.475 3.897 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c(O)c1 ZINC000769551081 1023177424 /nfs/dbraw/zinc/17/74/24/1023177424.db2.gz UZESNOCXNZRITD-HOCLYGCPSA-N 1 0 309.475 3.897 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000769558586 1023181114 /nfs/dbraw/zinc/18/11/14/1023181114.db2.gz FVWKIMRJIZCAJO-ZDUSSCGKSA-N 1 0 303.352 3.968 20 10 DHCDRO COc1cc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)ccc1C ZINC000756613054 1023188151 /nfs/dbraw/zinc/18/81/51/1023188151.db2.gz ZGMAYSSHFUSZPC-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO CN(C)c1cccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)c1 ZINC000769854811 1023218674 /nfs/dbraw/zinc/21/86/74/1023218674.db2.gz XUHPRNQBCFXKQO-UHFFFAOYSA-N 1 0 321.424 3.638 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1F ZINC000769934776 1023251120 /nfs/dbraw/zinc/25/11/20/1023251120.db2.gz PAYRSTKCHAGGNA-INIZCTEOSA-N 1 0 322.449 3.557 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc2ccccc2c1O ZINC000769988122 1023257512 /nfs/dbraw/zinc/25/75/12/1023257512.db2.gz NCWIIGSQTVFESL-SJCJKPOMSA-N 1 0 313.422 3.991 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286011 1023291154 /nfs/dbraw/zinc/29/11/54/1023291154.db2.gz NLTRIMPAFZFVSY-QUCCMNQESA-N 1 0 314.473 3.678 20 10 DHCDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccccc1O ZINC000770510119 1023315931 /nfs/dbraw/zinc/31/59/31/1023315931.db2.gz XTXBMWAMRPPZHK-UHFFFAOYSA-N 1 0 318.486 3.798 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCCSc1nccs1 ZINC000124246276 1023316769 /nfs/dbraw/zinc/31/67/69/1023316769.db2.gz XVZMGZPLVIJDDV-UHFFFAOYSA-N 1 0 314.863 3.774 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000825892203 1033125639 /nfs/dbraw/zinc/12/56/39/1033125639.db2.gz AWOKLNDKKQNQTJ-UHFFFAOYSA-N 1 0 324.140 3.587 20 10 DHCDRO CSc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccn1 ZINC000756663522 1023379187 /nfs/dbraw/zinc/37/91/87/1023379187.db2.gz KMLKFAIVPOSQOC-ZDUSSCGKSA-N 1 0 302.443 3.977 20 10 DHCDRO Cc1cccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756676444 1023413376 /nfs/dbraw/zinc/41/33/76/1023413376.db2.gz PZIBESHZBWZGMU-CQSZACIVSA-N 1 0 303.377 3.959 20 10 DHCDRO CC(C)[N@H+](Cc1cnc2ccccn12)Cc1ccc(N(C)C)cc1 ZINC000771791607 1023471047 /nfs/dbraw/zinc/47/10/47/1023471047.db2.gz PKJKRQPKSPUOCM-UHFFFAOYSA-N 1 0 322.456 3.811 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000771935358 1023489891 /nfs/dbraw/zinc/48/98/91/1023489891.db2.gz PIJSYDWJTXPOMC-UHFFFAOYSA-N 1 0 313.401 3.601 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(O)(CC)CC2)cc1 ZINC000772466072 1023557454 /nfs/dbraw/zinc/55/74/54/1023557454.db2.gz GTYKXQKPTCKWES-DMKPSLHHSA-N 1 0 304.478 3.877 20 10 DHCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000785554272 1023589730 /nfs/dbraw/zinc/58/97/30/1023589730.db2.gz PEOXSVMPDKIDGI-WBVHZDCISA-N 1 0 320.452 3.721 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC000785552187 1023589991 /nfs/dbraw/zinc/58/99/91/1023589991.db2.gz SDKMCXXBPZPFNX-INIZCTEOSA-N 1 0 317.360 3.543 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785559039 1023590740 /nfs/dbraw/zinc/59/07/40/1023590740.db2.gz KDQVCPNCJAQUSF-OXQOHEQNSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000785557664 1023591020 /nfs/dbraw/zinc/59/10/20/1023591020.db2.gz AHTWVSMWADWWKB-IIBYNOLFSA-N 1 0 324.468 3.711 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000756741806 1023664971 /nfs/dbraw/zinc/66/49/71/1023664971.db2.gz XEDYSAKNOWHRJK-YVEFUNNKSA-N 1 0 305.805 3.738 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000786915077 1023737292 /nfs/dbraw/zinc/73/72/92/1023737292.db2.gz DMVHCBBZLZOMAW-QAPCUYQASA-N 1 0 310.441 3.797 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000787412037 1023791260 /nfs/dbraw/zinc/79/12/60/1023791260.db2.gz APQGCCOPPBSHHE-UHFFFAOYSA-N 1 0 301.430 3.849 20 10 DHCDRO Cc1ccc(CNc2ccc(OCCC[NH+](C)C)cc2)c(O)c1 ZINC000876857672 1033168641 /nfs/dbraw/zinc/16/86/41/1033168641.db2.gz GTDFFSGLYPZVJB-UHFFFAOYSA-N 1 0 314.429 3.643 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)C2CCCCC2)c(O)c1 ZINC000788562214 1023905235 /nfs/dbraw/zinc/90/52/35/1023905235.db2.gz GFYUWVPHERAZRC-MRXNPFEDSA-N 1 0 304.478 3.924 20 10 DHCDRO c1ccc(N2CCC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000788531726 1023907215 /nfs/dbraw/zinc/90/72/15/1023907215.db2.gz GCONWGDHXWSTMD-SFHVURJKSA-N 1 0 322.452 3.628 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000788586529 1023910449 /nfs/dbraw/zinc/91/04/49/1023910449.db2.gz CUMMALKTJNSNNE-CQSZACIVSA-N 1 0 314.385 3.811 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c(O)c1 ZINC000788630023 1023916249 /nfs/dbraw/zinc/91/62/49/1023916249.db2.gz DRJQUJNPTBTFFB-SOUVJXGZSA-N 1 0 303.402 3.765 20 10 DHCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788758850 1023930104 /nfs/dbraw/zinc/93/01/04/1023930104.db2.gz RNGAVFOYHJQDIT-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788758853 1023930341 /nfs/dbraw/zinc/93/03/41/1023930341.db2.gz RNGAVFOYHJQDIT-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000788801795 1023935913 /nfs/dbraw/zinc/93/59/13/1023935913.db2.gz ZUDNPVMFVCTBBF-ZIAGYGMSSA-N 1 0 322.449 3.573 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c(O)c1 ZINC000788779958 1023938932 /nfs/dbraw/zinc/93/89/32/1023938932.db2.gz ZVCQTWNDLUWALA-KXBFYZLASA-N 1 0 305.462 3.991 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789758979 1024159472 /nfs/dbraw/zinc/15/94/72/1024159472.db2.gz WMEYHVSJEOCAQD-UHFFFAOYSA-N 1 0 315.388 3.862 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(F)c2N)cc1 ZINC000876943807 1033190042 /nfs/dbraw/zinc/19/00/42/1033190042.db2.gz GRQANZQXNQPNFD-UHFFFAOYSA-N 1 0 301.409 3.544 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000268844109 1024177252 /nfs/dbraw/zinc/17/72/52/1024177252.db2.gz VAAMNXXJLAZMBW-KSSFIOAISA-N 1 0 312.461 3.604 20 10 DHCDRO CC(C)(C)c1csc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000882986802 1024195027 /nfs/dbraw/zinc/19/50/27/1024195027.db2.gz JXDNEKXIICPWIL-UHFFFAOYSA-N 1 0 312.385 3.714 20 10 DHCDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000130657696 1024196929 /nfs/dbraw/zinc/19/69/29/1024196929.db2.gz VDBSDUXLOLOVBK-QFBILLFUSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268976134 1024210830 /nfs/dbraw/zinc/21/08/30/1024210830.db2.gz AXMVWTLEVWIBIB-IRXDYDNUSA-N 1 0 304.478 3.879 20 10 DHCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1 ZINC000662497900 1024226374 /nfs/dbraw/zinc/22/63/74/1024226374.db2.gz MZSGUNCEIMZVKT-UHFFFAOYSA-N 1 0 314.816 3.652 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000876972973 1033194907 /nfs/dbraw/zinc/19/49/07/1033194907.db2.gz UGXJEBFSUXLWSR-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1cc(C)c2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC000662571406 1024257253 /nfs/dbraw/zinc/25/72/53/1024257253.db2.gz GVXVOPZEIDCULM-UHFFFAOYSA-N 1 0 320.436 3.542 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c(O)c1C ZINC000790495877 1024314818 /nfs/dbraw/zinc/31/48/18/1024314818.db2.gz CZZAFGKARTYHJX-NVXWUHKLSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000876995797 1033202907 /nfs/dbraw/zinc/20/29/07/1033202907.db2.gz INEBUDSZZBJINK-QUCCMNQESA-N 1 0 322.452 3.850 20 10 DHCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000270113835 1024353549 /nfs/dbraw/zinc/35/35/49/1024353549.db2.gz NKLSYNADNVLEJK-WIUDPPPLSA-N 1 0 323.845 3.634 20 10 DHCDRO CC(C)OCC[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172451719 1033205523 /nfs/dbraw/zinc/20/55/23/1033205523.db2.gz UMMNTYZJRKZOHH-KRWDZBQOSA-N 1 0 304.478 3.922 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C(F)(F)F)cc1O ZINC000883319875 1024373858 /nfs/dbraw/zinc/37/38/58/1024373858.db2.gz SZLTVMQHAXXTCO-SUHUHFCYSA-N 1 0 317.351 3.877 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(C)ccc1O ZINC000883328047 1024381791 /nfs/dbraw/zinc/38/17/91/1024381791.db2.gz KPWXMLFXPZLBJI-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000883331291 1024386265 /nfs/dbraw/zinc/38/62/65/1024386265.db2.gz VPCDEOXIEGAXAS-XJKSGUPXSA-N 1 0 313.397 3.965 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000790995762 1024413112 /nfs/dbraw/zinc/41/31/12/1024413112.db2.gz QRNRSVXLMLBASO-QGZVFWFLSA-N 1 0 319.445 3.762 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383035 1024416241 /nfs/dbraw/zinc/41/62/41/1024416241.db2.gz RSHUWMYFPQDVIF-MJGOQNOKSA-N 1 0 315.388 3.906 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC(C)C)c2ccccc2)c1 ZINC000877036941 1033215037 /nfs/dbraw/zinc/21/50/37/1033215037.db2.gz WGCPTKURWUUNQV-IBGZPJMESA-N 1 0 315.413 3.657 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443308 1024507427 /nfs/dbraw/zinc/50/74/27/1024507427.db2.gz GVDLWOUNTKXBLE-RTBURBONSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545145 1024537475 /nfs/dbraw/zinc/53/74/75/1024537475.db2.gz ZBFKENDSPDFYGU-IFXJQAMLSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)c1c(F)cccc1F ZINC000877063202 1033222292 /nfs/dbraw/zinc/22/22/92/1033222292.db2.gz GFTDFHPKPHWIBH-YJBOKZPZSA-N 1 0 321.367 3.581 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC2(OC)CCC2)cc1 ZINC000759967704 1024621771 /nfs/dbraw/zinc/62/17/71/1024621771.db2.gz ANUAKNYLRWIYLQ-MRXNPFEDSA-N 1 0 304.478 3.970 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccccc1O ZINC000792276575 1024660003 /nfs/dbraw/zinc/66/00/03/1024660003.db2.gz LUXFZUZLWSAHMR-NSHDSACASA-N 1 0 309.768 3.914 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000079723874 1024717902 /nfs/dbraw/zinc/71/79/02/1024717902.db2.gz SVFWWAQVRKHCLW-ZDUSSCGKSA-N 1 0 300.358 3.763 20 10 DHCDRO C[C@H](Cc1ccccc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170250982 1024723520 /nfs/dbraw/zinc/72/35/20/1024723520.db2.gz XERPINLVRLXATQ-GFCCVEGCSA-N 1 0 305.805 3.515 20 10 DHCDRO CC[C@H]([NH2+]CCCCF)c1cc(Br)ccc1O ZINC000310213141 1024785952 /nfs/dbraw/zinc/78/59/52/1024785952.db2.gz DPTMZVQJBVYDPS-LBPRGKRZSA-N 1 0 304.203 3.945 20 10 DHCDRO CCOCc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113320535 1024796813 /nfs/dbraw/zinc/79/68/13/1024796813.db2.gz LBNQPLWWMIWNTJ-UHFFFAOYSA-N 1 0 305.805 3.872 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000113332114 1024797976 /nfs/dbraw/zinc/79/79/76/1024797976.db2.gz LWGUUDNPEDBREV-MRXNPFEDSA-N 1 0 303.402 3.797 20 10 DHCDRO CCc1cc(C[N@@H+]2CCCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000772822306 1024810014 /nfs/dbraw/zinc/81/00/14/1024810014.db2.gz PFYOJNMXEVQLHJ-AWEZNQCLSA-N 1 0 305.462 3.863 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCOC2CCCC2)cc1 ZINC000747093943 1024855717 /nfs/dbraw/zinc/85/57/17/1024855717.db2.gz BHNOZSNOQHGBKH-UHFFFAOYSA-N 1 0 304.478 3.972 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000793013650 1024863848 /nfs/dbraw/zinc/86/38/48/1024863848.db2.gz XNCAXZHGHFKNSQ-LBPRGKRZSA-N 1 0 318.408 3.757 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1O ZINC000927011130 1033242209 /nfs/dbraw/zinc/24/22/09/1033242209.db2.gz OMRBINMWBQVAFN-KGLIPLIRSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000747100426 1024885185 /nfs/dbraw/zinc/88/51/85/1024885185.db2.gz ZCMYZCKQXGPHSB-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](O)c1ccccc1 ZINC000793235907 1024948693 /nfs/dbraw/zinc/94/86/93/1024948693.db2.gz HLXRBWKSKVNPJD-UYAOXDASSA-N 1 0 313.441 3.996 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c(O)c1 ZINC000793389051 1025030037 /nfs/dbraw/zinc/03/00/37/1025030037.db2.gz ULWHYZOAJWSWLS-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000279485280 1025045642 /nfs/dbraw/zinc/04/56/42/1025045642.db2.gz LDFGAWSCHKPRSL-GTNSWQLSSA-N 1 0 323.795 3.877 20 10 DHCDRO CCOC1(C)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000793545550 1025089303 /nfs/dbraw/zinc/08/93/03/1025089303.db2.gz HLFOUPGVQCBRBC-UHFFFAOYSA-N 1 0 321.461 3.786 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1C ZINC000793569297 1025103923 /nfs/dbraw/zinc/10/39/23/1025103923.db2.gz MUXCNQPOCPTNIO-CQSZACIVSA-N 1 0 309.413 3.779 20 10 DHCDRO CCCN(CC)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000318961956 1025124657 /nfs/dbraw/zinc/12/46/57/1025124657.db2.gz FMRQBCPMXCTDTB-HNNXBMFYSA-N 1 0 300.446 3.928 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000793609311 1025129630 /nfs/dbraw/zinc/12/96/30/1025129630.db2.gz AGYBVRAFIMORTR-UHFFFAOYSA-N 1 0 318.214 3.713 20 10 DHCDRO CSC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000793792999 1025166270 /nfs/dbraw/zinc/16/62/70/1025166270.db2.gz QVMGXYQKNAVCCR-CYBMUJFWSA-N 1 0 323.502 3.970 20 10 DHCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001168233435 1025359205 /nfs/dbraw/zinc/35/92/05/1025359205.db2.gz YTOBCAZMGORYRY-IBGZPJMESA-N 1 0 322.452 3.552 20 10 DHCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001168233437 1025360649 /nfs/dbraw/zinc/36/06/49/1025360649.db2.gz YTOBCAZMGORYRY-LJQANCHMSA-N 1 0 322.452 3.552 20 10 DHCDRO CCN(C#N)CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001168244679 1025381629 /nfs/dbraw/zinc/38/16/29/1025381629.db2.gz QXGPMFMFDKADSM-QGZVFWFLSA-N 1 0 323.440 3.758 20 10 DHCDRO c1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CCC2)cc1 ZINC000236620616 1025416013 /nfs/dbraw/zinc/41/60/13/1025416013.db2.gz HWRXOYNWTFBXPN-UHFFFAOYSA-N 1 0 322.452 3.692 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000124619053 1025435024 /nfs/dbraw/zinc/43/50/24/1025435024.db2.gz JBGKSQDKALFZON-FQEVSTJZSA-N 1 0 311.425 3.646 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237444117 1025451310 /nfs/dbraw/zinc/45/13/10/1025451310.db2.gz DJNZEGCHBNOXHH-ZWKOTPCHSA-N 1 0 324.468 3.978 20 10 DHCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000092764828 1025460765 /nfs/dbraw/zinc/46/07/65/1025460765.db2.gz ROIALDUJZGVBPR-AWEZNQCLSA-N 1 0 319.489 3.801 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336915 1033286920 /nfs/dbraw/zinc/28/69/20/1033286920.db2.gz QCONKIUQJYWBKG-APWZRJJASA-N 1 0 315.388 3.850 20 10 DHCDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000877358123 1033289228 /nfs/dbraw/zinc/28/92/28/1033289228.db2.gz BDBZRRGAUWTRBC-UHFFFAOYSA-N 1 0 300.358 3.634 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CSC)c1cc(Br)ccc1O ZINC000137414938 1025565721 /nfs/dbraw/zinc/56/57/21/1025565721.db2.gz DDCLPTXWXJPBHK-CABZTGNLSA-N 1 0 318.280 3.947 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1O ZINC000894014923 1025659523 /nfs/dbraw/zinc/65/95/23/1025659523.db2.gz USKXZCLQRMYLGV-LBPRGKRZSA-N 1 0 320.458 3.976 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684388 1025785401 /nfs/dbraw/zinc/78/54/01/1025785401.db2.gz KPBRPZHRIJDUAP-XPTSAGLGSA-N 1 0 302.349 3.735 20 10 DHCDRO CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806128644 1025792892 /nfs/dbraw/zinc/79/28/92/1025792892.db2.gz UVJGDOSJUIPJQI-MRXNPFEDSA-N 1 0 310.869 3.962 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)cc1C ZINC000237337609 1025823883 /nfs/dbraw/zinc/82/38/83/1025823883.db2.gz NKABHMGLEJJXKS-GOSISDBHSA-N 1 0 324.428 3.533 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180799 1025834841 /nfs/dbraw/zinc/83/48/41/1025834841.db2.gz SSLXFZZQFMAMLC-DZGCQCFKSA-N 1 0 319.832 3.781 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000806179383 1025834940 /nfs/dbraw/zinc/83/49/40/1025834940.db2.gz CEXKOLXHFUZDFQ-DGCLKSJQSA-N 1 0 323.795 3.611 20 10 DHCDRO CC[N@H+](Cc1ccncc1)Cc1cc(Br)ccc1O ZINC000076118603 1025861133 /nfs/dbraw/zinc/86/11/33/1025861133.db2.gz GMSWUXDGNIEYEG-UHFFFAOYSA-N 1 0 321.218 3.572 20 10 DHCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000236965140 1025871662 /nfs/dbraw/zinc/87/16/62/1025871662.db2.gz APHZHDVSSGWJDP-SJLPKXTDSA-N 1 0 302.462 3.582 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000137069629 1025879800 /nfs/dbraw/zinc/87/98/00/1025879800.db2.gz JMCQCTFMJXEWGQ-MRXNPFEDSA-N 1 0 301.386 3.777 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000886776488 1025894150 /nfs/dbraw/zinc/89/41/50/1025894150.db2.gz IAHDMZOWKNIJRD-RDTXWAMCSA-N 1 0 319.445 3.791 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1O ZINC000894141834 1026155060 /nfs/dbraw/zinc/15/50/60/1026155060.db2.gz IHPMWUYFAVSNKE-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1O ZINC000289744089 1026155021 /nfs/dbraw/zinc/15/50/21/1026155021.db2.gz QIHAGTJZELWBNR-AABGKKOBSA-N 1 0 323.436 3.705 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(OC)cc1 ZINC000894142487 1026159772 /nfs/dbraw/zinc/15/97/72/1026159772.db2.gz MBPPYGHFCQKUHN-KRWDZBQOSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1 ZINC000290002523 1026276489 /nfs/dbraw/zinc/27/64/89/1026276489.db2.gz ZGTJZACMTGJANR-ACJLOTCBSA-N 1 0 317.454 3.901 20 10 DHCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808444614 1026288465 /nfs/dbraw/zinc/28/84/65/1026288465.db2.gz PDNSPWNRRDHYLP-SGTLLEGYSA-N 1 0 300.377 3.504 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000894193531 1026338563 /nfs/dbraw/zinc/33/85/63/1026338563.db2.gz RORLBRDRQJGKMR-SWLSCSKDSA-N 1 0 301.386 3.715 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000808677015 1026356366 /nfs/dbraw/zinc/35/63/66/1026356366.db2.gz OJTQJXRNPUXSGM-RCBQFDQVSA-N 1 0 308.853 3.631 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1O ZINC000808711005 1026360141 /nfs/dbraw/zinc/36/01/41/1026360141.db2.gz ZSAWVNWXQUPVNW-AADNMHCOSA-N 1 0 321.848 3.962 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(O)c1C ZINC000808729598 1026368669 /nfs/dbraw/zinc/36/86/69/1026368669.db2.gz MNYKKPPXBBIJAU-XJKSGUPXSA-N 1 0 315.388 3.802 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000808699150 1026372444 /nfs/dbraw/zinc/37/24/44/1026372444.db2.gz UKSKLSBREDLSTA-BXUZGUMPSA-N 1 0 309.793 3.640 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1O ZINC000808697198 1026373526 /nfs/dbraw/zinc/37/35/26/1026373526.db2.gz YWCCDVVSNKMISI-UGSOOPFHSA-N 1 0 319.832 3.912 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808699064 1026374057 /nfs/dbraw/zinc/37/40/57/1026374057.db2.gz RKGWDXCPTYDQJH-ZDUSSCGKSA-N 1 0 321.852 3.990 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c1O ZINC000808697674 1026374175 /nfs/dbraw/zinc/37/41/75/1026374175.db2.gz QWTHPIDUCKEFKI-HZMBPMFUSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O ZINC000808699079 1026374218 /nfs/dbraw/zinc/37/42/18/1026374218.db2.gz RUWIUFYYDHCHQN-GDJRKYJOSA-N 1 0 309.837 3.818 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccc(C)cc1O ZINC000279975853 1026478675 /nfs/dbraw/zinc/47/86/75/1026478675.db2.gz DHVZIZOBYQFQJC-XCLVFQIOSA-N 1 0 323.502 3.821 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000237123915 1026531593 /nfs/dbraw/zinc/53/15/93/1026531593.db2.gz OGJJYIRKPHWYHT-UHFFFAOYSA-N 1 0 307.441 3.956 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccn1 ZINC000894235031 1026561247 /nfs/dbraw/zinc/56/12/47/1026561247.db2.gz PADDWJCJBNUOST-OAHLLOKOSA-N 1 0 300.402 3.735 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280009085 1026569144 /nfs/dbraw/zinc/56/91/44/1026569144.db2.gz GNOFMDIFNSCOCI-MRXNPFEDSA-N 1 0 315.461 3.800 20 10 DHCDRO CC[C@H]([NH2+]CCCCn1ccnc1C)c1ccc(C)cc1O ZINC000280040611 1026577674 /nfs/dbraw/zinc/57/76/74/1026577674.db2.gz IWFGIFOFLYCAPK-KRWDZBQOSA-N 1 0 301.434 3.727 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccc(C)cc1O ZINC000280038382 1026577901 /nfs/dbraw/zinc/57/79/01/1026577901.db2.gz IQQSMYFCYYHPHX-YVEFUNNKSA-N 1 0 302.418 3.977 20 10 DHCDRO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(C)cc1O ZINC000280054396 1026585961 /nfs/dbraw/zinc/58/59/61/1026585961.db2.gz JVOFBTLIXBPFHH-QGZVFWFLSA-N 1 0 301.434 3.645 20 10 DHCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809701570 1026590089 /nfs/dbraw/zinc/59/00/89/1026590089.db2.gz GVZJUTRCSQZNII-UGSOOPFHSA-N 1 0 319.832 3.874 20 10 DHCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000809728141 1026596018 /nfs/dbraw/zinc/59/60/18/1026596018.db2.gz MLHJOAUEDGPCSD-UHFFFAOYSA-N 1 0 318.848 3.609 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CCC2)CC1 ZINC000809707225 1026599092 /nfs/dbraw/zinc/59/90/92/1026599092.db2.gz TWNSDWRECXMAIU-UHFFFAOYSA-N 1 0 310.235 3.921 20 10 DHCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cccc(C)c2O)c1 ZINC000809741655 1026611236 /nfs/dbraw/zinc/61/12/36/1026611236.db2.gz RKZIHZHPBWBZMH-UHFFFAOYSA-N 1 0 312.457 3.573 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2F)c1O ZINC000809740267 1026611403 /nfs/dbraw/zinc/61/14/03/1026611403.db2.gz RROCPUSKICZSHX-CYBMUJFWSA-N 1 0 303.377 3.651 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000809758141 1026618741 /nfs/dbraw/zinc/61/87/41/1026618741.db2.gz DTTADWBHXQZOKO-GJZGRUSLSA-N 1 0 323.864 3.993 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(C)cc1O ZINC000280282316 1026626356 /nfs/dbraw/zinc/62/63/56/1026626356.db2.gz YQPUYIWKHBEMDM-DOTOQJQBSA-N 1 0 305.443 3.711 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000809790602 1026627743 /nfs/dbraw/zinc/62/77/43/1026627743.db2.gz LHJXONGCIPLFGH-ZDUSSCGKSA-N 1 0 303.789 3.620 20 10 DHCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000809790993 1026629130 /nfs/dbraw/zinc/62/91/30/1026629130.db2.gz RMMPHAYFKCJFFZ-LJQANCHMSA-N 1 0 322.468 3.656 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1O ZINC000894240003 1026634381 /nfs/dbraw/zinc/63/43/81/1026634381.db2.gz OJEXWGVIXMEEBG-CQSZACIVSA-N 1 0 315.413 3.526 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810214849 1026707404 /nfs/dbraw/zinc/70/74/04/1026707404.db2.gz KDNAPBCQPPKGFL-GXTWGEPZSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810213534 1026707753 /nfs/dbraw/zinc/70/77/53/1026707753.db2.gz USEMPLHMTOFFLS-OCCSQVGLSA-N 1 0 316.367 3.546 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000810173954 1026707765 /nfs/dbraw/zinc/70/77/65/1026707765.db2.gz LORSXDOJDBOKJG-SJORKVTESA-N 1 0 324.468 3.762 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810217378 1026709291 /nfs/dbraw/zinc/70/92/91/1026709291.db2.gz CFQDYJBCXCMCNU-WCQYABFASA-N 1 0 305.340 3.613 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1O ZINC000810218381 1026709835 /nfs/dbraw/zinc/70/98/35/1026709835.db2.gz IQILXSSJKFDIPQ-AWEZNQCLSA-N 1 0 314.429 3.626 20 10 DHCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810218076 1026710239 /nfs/dbraw/zinc/71/02/39/1026710239.db2.gz OLPJVOGDLDJRTC-DGFSRKRXSA-N 1 0 319.367 3.859 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810237785 1026725514 /nfs/dbraw/zinc/72/55/14/1026725514.db2.gz WFQLTLKXOSXLLB-CLDOCUBWSA-N 1 0 317.351 3.779 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810238387 1026726551 /nfs/dbraw/zinc/72/65/51/1026726551.db2.gz ZUNLZJVVAXONPS-FZMZJTMJSA-N 1 0 317.351 3.878 20 10 DHCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(C)c1O)C2 ZINC000811519686 1027020428 /nfs/dbraw/zinc/02/04/28/1027020428.db2.gz ZYXFAVCSZBFABD-UHFFFAOYSA-N 1 0 309.409 3.757 20 10 DHCDRO Oc1ccc(F)cc1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508466 1027024963 /nfs/dbraw/zinc/02/49/63/1027024963.db2.gz RJIPWYDVCHNLPU-KRWDZBQOSA-N 1 0 312.388 3.516 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856801 1027163355 /nfs/dbraw/zinc/16/33/55/1027163355.db2.gz SKZHMVVOGJCIRQ-NEPJUHHUSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856803 1027165361 /nfs/dbraw/zinc/16/53/61/1027165361.db2.gz SKZHMVVOGJCIRQ-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(Cl)c(C)c2)c1 ZINC000812772416 1027398511 /nfs/dbraw/zinc/39/85/11/1027398511.db2.gz VJCIAYFIMAGHHQ-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1F ZINC000812777189 1027399839 /nfs/dbraw/zinc/39/98/39/1027399839.db2.gz YVKLSWOXNYLRIF-INIZCTEOSA-N 1 0 308.441 3.671 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC4(CC4)C3)cc2)CC1 ZINC000295753468 1027415651 /nfs/dbraw/zinc/41/56/51/1027415651.db2.gz OBXGJYWSRAONPP-UHFFFAOYSA-N 1 0 314.473 3.678 20 10 DHCDRO COCC1(C[N@H+](Cc2ccccc2O)C2CCCC2)CCC1 ZINC000812826387 1027419171 /nfs/dbraw/zinc/41/91/71/1027419171.db2.gz LKNPSPVULKWRPX-UHFFFAOYSA-N 1 0 303.446 3.954 20 10 DHCDRO COC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000319721314 1027581791 /nfs/dbraw/zinc/58/17/91/1027581791.db2.gz KGFOSCJVSBYCDM-UHFFFAOYSA-N 1 0 302.462 3.726 20 10 DHCDRO C[N@H+](CCOCC1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000158636139 1027600888 /nfs/dbraw/zinc/60/08/88/1027600888.db2.gz PRJWCTZDQMJTMO-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C)c1O ZINC000158924297 1027669250 /nfs/dbraw/zinc/66/92/50/1027669250.db2.gz NQFCDDKLKXZKCZ-JTQLQIEISA-N 1 0 314.223 3.538 20 10 DHCDRO CCSc1cccc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000813789948 1027714789 /nfs/dbraw/zinc/71/47/89/1027714789.db2.gz BFJLNNGFLXRWJH-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC000778985394 1027716702 /nfs/dbraw/zinc/71/67/02/1027716702.db2.gz SCIUICVIWINTCE-KRWDZBQOSA-N 1 0 301.361 3.877 20 10 DHCDRO C[C@@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000778985415 1027716959 /nfs/dbraw/zinc/71/69/59/1027716959.db2.gz SYRAMOQQLSUAKX-CVEARBPZSA-N 1 0 315.413 3.803 20 10 DHCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@@H]1C ZINC000813855731 1027730587 /nfs/dbraw/zinc/73/05/87/1027730587.db2.gz SPRACYGXVVHHFC-PQHDGLIZSA-N 1 0 320.452 3.573 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000778995557 1027733686 /nfs/dbraw/zinc/73/36/86/1027733686.db2.gz ZFVXCJANURKEJA-SJLPKXTDSA-N 1 0 304.478 3.780 20 10 DHCDRO C[C@H]1C[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000778995690 1027735139 /nfs/dbraw/zinc/73/51/39/1027735139.db2.gz FRSJEOZTMHZCNS-RDJZCZTQSA-N 1 0 302.462 3.532 20 10 DHCDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2O)C1 ZINC000364622942 1027857525 /nfs/dbraw/zinc/85/75/25/1027857525.db2.gz MLHLWJXPJVYNJZ-RDJZCZTQSA-N 1 0 313.445 3.939 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H](C)CO1 ZINC000779021432 1027863360 /nfs/dbraw/zinc/86/33/60/1027863360.db2.gz YOXPUEDBDDUDHM-LIRRHRJNSA-N 1 0 315.388 3.802 20 10 DHCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779021345 1027869947 /nfs/dbraw/zinc/86/99/47/1027869947.db2.gz CRANSFKYVNRRKF-MNOVXSKESA-N 1 0 316.239 3.539 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1 ZINC000814178365 1027916479 /nfs/dbraw/zinc/91/64/79/1027916479.db2.gz NEZYPQPBWBRFBB-HNNXBMFYSA-N 1 0 314.404 3.550 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527965250 1028009405 /nfs/dbraw/zinc/00/94/05/1028009405.db2.gz LURRVRMBKFDGPT-DJJJIMSYSA-N 1 0 312.413 3.988 20 10 DHCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000779061235 1028110906 /nfs/dbraw/zinc/11/09/06/1028110906.db2.gz KBFRJHFFOVXPLD-KRWDZBQOSA-N 1 0 304.478 3.564 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367608594 1028215591 /nfs/dbraw/zinc/21/55/91/1028215591.db2.gz SAIVAKULKYKDEX-AWEZNQCLSA-N 1 0 312.413 3.568 20 10 DHCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000367968435 1028266013 /nfs/dbraw/zinc/26/60/13/1028266013.db2.gz XNPFARSRZVBDCJ-HXUWFJFHSA-N 1 0 316.489 3.517 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107279 1028284560 /nfs/dbraw/zinc/28/45/60/1028284560.db2.gz XNBJZEHYTSCIKB-GTNSWQLSSA-N 1 0 307.340 3.536 20 10 DHCDRO Cc1cc(C[NH+]2CCC(C(F)(F)F)CC2)ccc1N(C)C ZINC000815055400 1028337048 /nfs/dbraw/zinc/33/70/48/1028337048.db2.gz ZIFMGYHXGCAACZ-UHFFFAOYSA-N 1 0 300.368 3.835 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1N(C)C ZINC000815112400 1028360058 /nfs/dbraw/zinc/36/00/58/1028360058.db2.gz PXXJOLANCHRAAA-TZIWHRDSSA-N 1 0 323.484 3.596 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000368621915 1028385834 /nfs/dbraw/zinc/38/58/34/1028385834.db2.gz BLPDIJFWGHZRQG-NSHDSACASA-N 1 0 307.777 3.637 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCCC1 ZINC000815554078 1028539814 /nfs/dbraw/zinc/53/98/14/1028539814.db2.gz RAQUAJZQSGWYDV-HXUWFJFHSA-N 1 0 324.468 3.752 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(N(C)C)CCCCC2)c(O)c1 ZINC000815554085 1028539904 /nfs/dbraw/zinc/53/99/04/1028539904.db2.gz RGCWKPIOPRHMLO-INIZCTEOSA-N 1 0 304.478 3.924 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)CC1 ZINC000189080446 1028548305 /nfs/dbraw/zinc/54/83/05/1028548305.db2.gz CMOXFZWSEVSLSV-UHFFFAOYSA-N 1 0 313.420 3.747 20 10 DHCDRO C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N(C)C ZINC000815575989 1028551280 /nfs/dbraw/zinc/55/12/80/1028551280.db2.gz GOROEXUHQOCWJT-QFBILLFUSA-N 1 0 312.457 3.606 20 10 DHCDRO C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N(C)C ZINC000815575990 1028551371 /nfs/dbraw/zinc/55/13/71/1028551371.db2.gz GOROEXUHQOCWJT-VQIMIIECSA-N 1 0 312.457 3.606 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000815573530 1028566187 /nfs/dbraw/zinc/56/61/87/1028566187.db2.gz MOPYBBSUMKIEHW-CQSZACIVSA-N 1 0 322.449 3.527 20 10 DHCDRO CCc1nc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000815573767 1028567979 /nfs/dbraw/zinc/56/79/79/1028567979.db2.gz SUPKBZUOWSITJK-CYBMUJFWSA-N 1 0 304.459 3.921 20 10 DHCDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815614825 1028570790 /nfs/dbraw/zinc/57/07/90/1028570790.db2.gz BRYYLGOHWJLTQA-GJYPPUQNSA-N 1 0 313.441 3.815 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000815617537 1028572870 /nfs/dbraw/zinc/57/28/70/1028572870.db2.gz PHZFZPJQSRUTLV-ZIAGYGMSSA-N 1 0 322.449 3.573 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1O ZINC000815643102 1028589473 /nfs/dbraw/zinc/58/94/73/1028589473.db2.gz UBRIETQJVUWASB-QMTHXVAHSA-N 1 0 306.793 3.948 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000815648203 1028591731 /nfs/dbraw/zinc/59/17/31/1028591731.db2.gz GWVLIORQWXPJDQ-YJBOKZPZSA-N 1 0 304.478 3.592 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c(O)c1C ZINC000815648837 1028594932 /nfs/dbraw/zinc/59/49/32/1028594932.db2.gz YXMCTKDGMHXVQQ-NVXWUHKLSA-N 1 0 305.462 3.848 20 10 DHCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000815651147 1028595384 /nfs/dbraw/zinc/59/53/84/1028595384.db2.gz LKMHKSJIIXAPIX-AUUYWEPGSA-N 1 0 320.452 3.892 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)c2ccccc21 ZINC000370374503 1028597031 /nfs/dbraw/zinc/59/70/31/1028597031.db2.gz ODFABDUWNNKRBK-RDTXWAMCSA-N 1 0 324.424 3.849 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000370553193 1028618056 /nfs/dbraw/zinc/61/80/56/1028618056.db2.gz CAHPKHOCRZUOSA-RDJZCZTQSA-N 1 0 324.424 3.867 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCSCC[C@H]3C)c2c1 ZINC000189910162 1028709211 /nfs/dbraw/zinc/70/92/11/1028709211.db2.gz KUDKELHESUMTIB-CYBMUJFWSA-N 1 0 317.454 3.881 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000076895308 1028752283 /nfs/dbraw/zinc/75/22/83/1028752283.db2.gz WOEBAPFWOKQATK-UHFFFAOYSA-N 1 0 322.456 3.779 20 10 DHCDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372418575 1028855844 /nfs/dbraw/zinc/85/58/44/1028855844.db2.gz WPBOCHKHVXEWJG-LBPRGKRZSA-N 1 0 302.443 3.600 20 10 DHCDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000372718252 1028887110 /nfs/dbraw/zinc/88/71/10/1028887110.db2.gz PQAQSQAHBVPDIE-GJZGRUSLSA-N 1 0 307.434 3.600 20 10 DHCDRO Oc1c(C[N@@H+]2CCOc3ccccc3C2)ccc2ccccc21 ZINC000816494305 1028897745 /nfs/dbraw/zinc/89/77/45/1028897745.db2.gz GFZKGWNBZLXSEY-UHFFFAOYSA-N 1 0 305.377 3.940 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497855 1028906191 /nfs/dbraw/zinc/90/61/91/1028906191.db2.gz WHLQNLKRGPQVFC-GOSISDBHSA-N 1 0 310.441 3.606 20 10 DHCDRO Oc1c(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816498487 1028906827 /nfs/dbraw/zinc/90/68/27/1028906827.db2.gz WVEGDDNHIUVKKM-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO Oc1c(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499525 1028908841 /nfs/dbraw/zinc/90/88/41/1028908841.db2.gz SYDOHALJHQYXAD-IBGZPJMESA-N 1 0 324.468 3.996 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501933 1028909752 /nfs/dbraw/zinc/90/97/52/1028909752.db2.gz HLBDGABPPZXWAG-KRWDZBQOSA-N 1 0 307.397 3.579 20 10 DHCDRO CC(C)N(CC[NH2+]Cc1ccc2ccccc2c1O)C(C)C ZINC000816528532 1028918843 /nfs/dbraw/zinc/91/88/43/1028918843.db2.gz HGTZUNASPJZGMK-UHFFFAOYSA-N 1 0 300.446 3.754 20 10 DHCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816535622 1028923112 /nfs/dbraw/zinc/92/31/12/1028923112.db2.gz UWVSJTAMKBYPMF-UHFFFAOYSA-N 1 0 320.392 3.794 20 10 DHCDRO Oc1c(C[NH2+]CCOc2cccc(F)c2)ccc2ccccc21 ZINC000816537251 1028927409 /nfs/dbraw/zinc/92/74/09/1028927409.db2.gz YEZGKILAGFHJIS-UHFFFAOYSA-N 1 0 311.356 3.853 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2COc3ccccc3C2)ccc2ccccc21 ZINC000816528035 1028936403 /nfs/dbraw/zinc/93/64/03/1028936403.db2.gz JPRUDYFQKWTJII-OAHLLOKOSA-N 1 0 319.404 3.886 20 10 DHCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816588004 1028937489 /nfs/dbraw/zinc/93/74/89/1028937489.db2.gz CUSUYIHVENKDIH-IBGZPJMESA-N 1 0 321.420 3.547 20 10 DHCDRO CCCN(Cc1cccc(O)c1Cl)c1ccc(C[NH3+])cc1 ZINC000816592146 1028938877 /nfs/dbraw/zinc/93/88/77/1028938877.db2.gz AFCCPOWFGRUXHM-UHFFFAOYSA-N 1 0 304.821 3.921 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C12CCC2 ZINC000816551749 1028943014 /nfs/dbraw/zinc/94/30/14/1028943014.db2.gz NVAQXCIIVPEQSB-QZTJIDSGSA-N 1 0 311.425 3.983 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(O)c1 ZINC000816597385 1028955880 /nfs/dbraw/zinc/95/58/80/1028955880.db2.gz PLIBDNULUGCHDN-UHFFFAOYSA-N 1 0 309.365 3.549 20 10 DHCDRO COCC[N@H+](Cc1ccccn1)Cc1ccc2ccccc2c1O ZINC000816610350 1028961464 /nfs/dbraw/zinc/96/14/64/1028961464.db2.gz HULLXIUHWAFWHR-UHFFFAOYSA-N 1 0 322.408 3.589 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000816644573 1028970691 /nfs/dbraw/zinc/97/06/91/1028970691.db2.gz QEMIJIUUCLDCPO-UHFFFAOYSA-N 1 0 314.832 3.540 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000816659553 1028980239 /nfs/dbraw/zinc/98/02/39/1028980239.db2.gz SBSVBUHWQYYKSP-MRXNPFEDSA-N 1 0 303.789 3.699 20 10 DHCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816662385 1028982075 /nfs/dbraw/zinc/98/20/75/1028982075.db2.gz OEHZVPICVWQTLR-FQEVSTJZSA-N 1 0 313.441 3.776 20 10 DHCDRO COC1([C@@H](C)[NH2+]CCCSc2nccs2)CCCC1 ZINC000817577163 1029204372 /nfs/dbraw/zinc/20/43/72/1029204372.db2.gz FGINXPMNOZQRDL-GFCCVEGCSA-N 1 0 300.493 3.563 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000817585211 1029213958 /nfs/dbraw/zinc/21/39/58/1029213958.db2.gz CQGZBSXPHXWICI-XOKHGSTOSA-N 1 0 303.446 3.879 20 10 DHCDRO CC[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1O ZINC000155265909 1029216148 /nfs/dbraw/zinc/21/61/48/1029216148.db2.gz SMGFOLPFTCLBON-MRXNPFEDSA-N 1 0 316.470 3.553 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000191011539 1029251496 /nfs/dbraw/zinc/25/14/96/1029251496.db2.gz GETIQMDASVLTAH-GOEBONIOSA-N 1 0 319.445 3.933 20 10 DHCDRO CCN(CC)c1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817888599 1029263754 /nfs/dbraw/zinc/26/37/54/1029263754.db2.gz MWKNOEQEWZDMBT-VQTJNVASSA-N 1 0 309.457 3.767 20 10 DHCDRO CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000155651854 1029269997 /nfs/dbraw/zinc/26/99/97/1029269997.db2.gz AMYCZGZIBDDRHC-HNNXBMFYSA-N 1 0 322.449 3.690 20 10 DHCDRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938402 1029282019 /nfs/dbraw/zinc/28/20/19/1029282019.db2.gz JVXQTPJLAZEBSH-OXQOHEQNSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940006 1029282640 /nfs/dbraw/zinc/28/26/40/1029282640.db2.gz DTOJPNWGEQWTLM-IFXJQAMLSA-N 1 0 315.436 3.551 20 10 DHCDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938504 1029283409 /nfs/dbraw/zinc/28/34/09/1029283409.db2.gz LTSSXHXXEBSJJO-UZLBHIALSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817939504 1029283859 /nfs/dbraw/zinc/28/38/59/1029283859.db2.gz BXAWYCGDTJCNOE-XMCHAPAWSA-N 1 0 309.457 3.591 20 10 DHCDRO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817939794 1029283950 /nfs/dbraw/zinc/28/39/50/1029283950.db2.gz CCFIVNUSLRPSLM-ZDUSSCGKSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946670 1029288532 /nfs/dbraw/zinc/28/85/32/1029288532.db2.gz CVRIVSONRDBZHK-XNWIYYODSA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947155 1029290967 /nfs/dbraw/zinc/29/09/67/1029290967.db2.gz LTLPAFOPDAAPDG-XNWIYYODSA-N 1 0 303.233 3.620 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000817955977 1029296590 /nfs/dbraw/zinc/29/65/90/1029296590.db2.gz MRCLBEBKVTWHDZ-QGZVFWFLSA-N 1 0 316.832 3.968 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000817956191 1029297862 /nfs/dbraw/zinc/29/78/62/1029297862.db2.gz SVZXMYDQAYDSNF-YLJYHZDGSA-N 1 0 310.441 3.569 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000817967460 1029307318 /nfs/dbraw/zinc/30/73/18/1029307318.db2.gz JFLSMEOCWVJHDK-KZULUSFZSA-N 1 0 312.413 3.711 20 10 DHCDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2cc(N)ccc2O1 ZINC000817974836 1029311340 /nfs/dbraw/zinc/31/13/40/1029311340.db2.gz GEEIYUJJEVOEQA-CVEARBPZSA-N 1 0 324.424 3.854 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972377 1029311575 /nfs/dbraw/zinc/31/15/75/1029311575.db2.gz WKRHKOLAPGQWOT-PUYPPJJSSA-N 1 0 317.260 3.880 20 10 DHCDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)c2cc(N)ccc2O1 ZINC000817974838 1029312044 /nfs/dbraw/zinc/31/20/44/1029312044.db2.gz GEEIYUJJEVOEQA-HOTGVXAUSA-N 1 0 324.424 3.854 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(C)cc1O ZINC000817975497 1029313369 /nfs/dbraw/zinc/31/33/69/1029313369.db2.gz VRHCBOQMYZGXDU-MOPGFXCFSA-N 1 0 310.441 3.628 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(N(C)C)cc1 ZINC000817974523 1029314204 /nfs/dbraw/zinc/31/42/04/1029314204.db2.gz BXSZUURXNDPXCN-OAHLLOKOSA-N 1 0 309.457 3.962 20 10 DHCDRO CC[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817984631 1029320184 /nfs/dbraw/zinc/32/01/84/1029320184.db2.gz WBQQNQVHXAAOEV-TZMCWYRMSA-N 1 0 316.367 3.594 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc43)C2)cc1 ZINC000818116635 1029335348 /nfs/dbraw/zinc/33/53/48/1029335348.db2.gz NTRPIZDGWNTKIU-HRAATJIYSA-N 1 0 322.452 3.799 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000818221503 1029357458 /nfs/dbraw/zinc/35/74/58/1029357458.db2.gz NJXQAKIFATYVPO-INIZCTEOSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C(C)C)C3CC3)C2)cc1 ZINC000818342609 1029376057 /nfs/dbraw/zinc/37/60/57/1029376057.db2.gz SRDJFJOFPZLPIH-KXBFYZLASA-N 1 0 302.462 3.546 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000818360813 1029385033 /nfs/dbraw/zinc/38/50/33/1029385033.db2.gz QZAVDPXIRALYMT-XQLPTFJDSA-N 1 0 320.864 3.626 20 10 DHCDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000320819494 1029387134 /nfs/dbraw/zinc/38/71/34/1029387134.db2.gz FBTXWNAMRCOEDX-IAQYHMDHSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)ccn1 ZINC000570587828 1029390558 /nfs/dbraw/zinc/39/05/58/1029390558.db2.gz RGTPUQZPBXDHOL-AWEZNQCLSA-N 1 0 309.413 3.741 20 10 DHCDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000320819496 1029391858 /nfs/dbraw/zinc/39/18/58/1029391858.db2.gz FBTXWNAMRCOEDX-NHYWBVRUSA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000156157957 1029397648 /nfs/dbraw/zinc/39/76/48/1029397648.db2.gz ZRSTVRHSPVSIOP-OAHLLOKOSA-N 1 0 322.456 3.912 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccccc1O ZINC000156177049 1029402169 /nfs/dbraw/zinc/40/21/69/1029402169.db2.gz BMHTZQFRHQYUPI-QGZVFWFLSA-N 1 0 309.413 3.632 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828013769 1029813686 /nfs/dbraw/zinc/81/36/86/1029813686.db2.gz KDSAGGVMDQSJCH-UHFFFAOYSA-N 1 0 319.408 3.731 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC000865696815 1029978720 /nfs/dbraw/zinc/97/87/20/1029978720.db2.gz LHXBYYWQMYVDJH-ZWKOTPCHSA-N 1 0 306.425 3.534 20 10 DHCDRO CCOc1cccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000865726932 1029991645 /nfs/dbraw/zinc/99/16/45/1029991645.db2.gz VXVAVGMZBPTNJD-QGZVFWFLSA-N 1 0 319.445 3.620 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865821539 1030042512 /nfs/dbraw/zinc/04/25/12/1030042512.db2.gz GJTCLBSFVZDQOO-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000290525450 1030089818 /nfs/dbraw/zinc/08/98/18/1030089818.db2.gz QGXWEKWKNKZCJM-CQSZACIVSA-N 1 0 305.809 3.723 20 10 DHCDRO c1cnc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000866227697 1030168871 /nfs/dbraw/zinc/16/88/71/1030168871.db2.gz BNXRERMIMOMPHE-FQEVSTJZSA-N 1 0 307.441 3.849 20 10 DHCDRO CCCCN(Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000823026677 1030194568 /nfs/dbraw/zinc/19/45/68/1030194568.db2.gz ZZOYYFBWBBZUGT-UHFFFAOYSA-N 1 0 311.332 3.515 20 10 DHCDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCSc1nccs1 ZINC000925100702 1030272525 /nfs/dbraw/zinc/27/25/25/1030272525.db2.gz DOSQHEIDHFBTDM-JSGCOSHPSA-N 1 0 302.509 3.545 20 10 DHCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000823387355 1030274581 /nfs/dbraw/zinc/27/45/81/1030274581.db2.gz YJGZSHMPCZVZPO-KRWDZBQOSA-N 1 0 317.454 3.943 20 10 DHCDRO Clc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171017335 1030285064 /nfs/dbraw/zinc/28/50/64/1030285064.db2.gz HJWCTGMRIQRIDF-INIZCTEOSA-N 1 0 313.828 3.922 20 10 DHCDRO COC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866505349 1030330286 /nfs/dbraw/zinc/33/02/86/1030330286.db2.gz XVPLBIUHJCYQCW-JTQLQIEISA-N 1 0 316.239 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000866510217 1030335252 /nfs/dbraw/zinc/33/52/52/1030335252.db2.gz LDTZRJKJAQHINI-FNHZYXHNSA-N 1 0 302.462 3.608 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)c2c1c(F)ccc2O ZINC000866528246 1030348079 /nfs/dbraw/zinc/34/80/79/1030348079.db2.gz CIPVXBUJULJMRO-UMVBOHGHSA-N 1 0 319.420 3.876 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1C ZINC000866537801 1030356159 /nfs/dbraw/zinc/35/61/59/1030356159.db2.gz JIGLUUXBYQUBCF-ZVZYQTTQSA-N 1 0 303.446 3.722 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)CC2 ZINC000866541691 1030363753 /nfs/dbraw/zinc/36/37/53/1030363753.db2.gz RAENMGKHEOKPTF-AWEZNQCLSA-N 1 0 323.314 3.910 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000823789709 1030402959 /nfs/dbraw/zinc/40/29/59/1030402959.db2.gz PZBPMQFXPBSLSZ-MRXNPFEDSA-N 1 0 316.470 3.653 20 10 DHCDRO CCN(C)c1ccc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000777565889 1030403970 /nfs/dbraw/zinc/40/39/70/1030403970.db2.gz HXWYZEAMKWUJAT-HNNXBMFYSA-N 1 0 321.428 3.897 20 10 DHCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000823843222 1030410924 /nfs/dbraw/zinc/41/09/24/1030410924.db2.gz YVIICGDXYDFOMY-HOTGVXAUSA-N 1 0 308.441 3.719 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc2c(cc1O)CCCC2 ZINC000866633319 1030414022 /nfs/dbraw/zinc/41/40/22/1030414022.db2.gz UBDSMJQHWCVBEE-GUYCJALGSA-N 1 0 311.429 3.653 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000866634943 1030415634 /nfs/dbraw/zinc/41/56/34/1030415634.db2.gz VYJPJSWFLGFCIY-SMDDNHRTSA-N 1 0 305.809 3.736 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(OCCC(C)C)CC2)c1 ZINC000121622012 1030448350 /nfs/dbraw/zinc/44/83/50/1030448350.db2.gz UZWRUOGNDOKKPZ-UHFFFAOYSA-N 1 0 321.461 3.818 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000121885796 1030493559 /nfs/dbraw/zinc/49/35/59/1030493559.db2.gz FADVPSXJAGKSON-IHRRRGAJSA-N 1 0 324.515 3.563 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1O ZINC000291561084 1030551057 /nfs/dbraw/zinc/55/10/57/1030551057.db2.gz NBLQTDPWMDDJJV-HXUWFJFHSA-N 1 0 323.436 3.884 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000824482965 1030564359 /nfs/dbraw/zinc/56/43/59/1030564359.db2.gz FENGPEICVJKLLD-QWHCGFSZSA-N 1 0 315.438 3.941 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2oc(CCC)nc2C)c(O)c1 ZINC000291656198 1030583856 /nfs/dbraw/zinc/58/38/56/1030583856.db2.gz DMEYXLMQZCPBDQ-UHFFFAOYSA-N 1 0 318.417 3.720 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)ccn1 ZINC000824597557 1030590424 /nfs/dbraw/zinc/59/04/24/1030590424.db2.gz UKHZWUCDYALFMN-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1F ZINC000824583770 1030594877 /nfs/dbraw/zinc/59/48/77/1030594877.db2.gz QIOBCSNSXNABAU-SFHVURJKSA-N 1 0 308.441 3.530 20 10 DHCDRO CCOc1ccc(C[NH2+]C2CCC(CSC)CC2)c(O)c1 ZINC000824649698 1030601209 /nfs/dbraw/zinc/60/12/09/1030601209.db2.gz FIIXNKJUIRUALN-UHFFFAOYSA-N 1 0 309.475 3.802 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000824716403 1030619317 /nfs/dbraw/zinc/61/93/17/1030619317.db2.gz UFPNFZRJMSDCQK-DGCLKSJQSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c(O)c1 ZINC000824714264 1030620032 /nfs/dbraw/zinc/62/00/32/1030620032.db2.gz AVMXGGMDPNFONK-AAEUAGOBSA-N 1 0 317.351 3.954 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000291787371 1030644813 /nfs/dbraw/zinc/64/48/13/1030644813.db2.gz VQBVDSNSYDIMPE-UHFFFAOYSA-N 1 0 314.385 3.942 20 10 DHCDRO CC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000824783570 1030651706 /nfs/dbraw/zinc/65/17/06/1030651706.db2.gz WATIBHGORDTYQA-UHFFFAOYSA-N 1 0 321.218 3.572 20 10 DHCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824843511 1030660327 /nfs/dbraw/zinc/66/03/27/1030660327.db2.gz PKAACWRDQFBCEA-JTQLQIEISA-N 1 0 318.280 3.728 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1O ZINC000825017105 1030699668 /nfs/dbraw/zinc/69/96/68/1030699668.db2.gz LTBAGNAIVPRDKG-UHFFFAOYSA-N 1 0 315.388 3.795 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045309 1030706722 /nfs/dbraw/zinc/70/67/22/1030706722.db2.gz CYQWIUPBFDOISV-LBPRGKRZSA-N 1 0 311.278 3.726 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000359002259 1030723633 /nfs/dbraw/zinc/72/36/33/1030723633.db2.gz LQJVTFGWBVQKHZ-ZDUSSCGKSA-N 1 0 308.429 3.744 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825127260 1030732001 /nfs/dbraw/zinc/73/20/01/1030732001.db2.gz WNFAXJJYIMGSJM-BPQIPLTHSA-N 1 0 302.487 3.518 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000248495932 1030749136 /nfs/dbraw/zinc/74/91/36/1030749136.db2.gz LCCIKBYBRYGDGU-DYXDTQHNSA-N 1 0 323.436 3.580 20 10 DHCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)o1 ZINC000825304177 1030770447 /nfs/dbraw/zinc/77/04/47/1030770447.db2.gz RXQFHZLQLPYXGN-QGZVFWFLSA-N 1 0 323.820 3.561 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2cccnc2)C2CC2)cc1Cl ZINC000825390127 1030787299 /nfs/dbraw/zinc/78/72/99/1030787299.db2.gz AFLHWPRZNNTCKZ-KRWDZBQOSA-N 1 0 302.805 3.990 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000122793642 1030869343 /nfs/dbraw/zinc/86/93/43/1030869343.db2.gz PHKCSGCJFBOFER-HNNXBMFYSA-N 1 0 300.450 3.689 20 10 DHCDRO Cc1cc(CN[C@@H](C)c2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000926763658 1030912174 /nfs/dbraw/zinc/91/21/74/1030912174.db2.gz DKCQDGBDDZPJEA-HNNXBMFYSA-N 1 0 308.429 3.678 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2O ZINC000926915413 1030987199 /nfs/dbraw/zinc/98/71/99/1030987199.db2.gz GNGPLMBIUHOACP-HMECXNKFSA-N 1 0 305.393 3.628 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000926973406 1031022962 /nfs/dbraw/zinc/02/29/62/1031022962.db2.gz CNAWKUQZTBBPLM-OAHLLOKOSA-N 1 0 308.381 3.661 20 10 DHCDRO CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000927035668 1031043808 /nfs/dbraw/zinc/04/38/08/1031043808.db2.gz CBRFUHNKAMMTLN-URSIVYNOSA-N 1 0 320.452 3.979 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000927036423 1031044191 /nfs/dbraw/zinc/04/41/91/1031044191.db2.gz BXGVKHNZYVBPAE-DTVQEZCTSA-N 1 0 324.415 3.728 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2)CC1 ZINC000844361216 1031082924 /nfs/dbraw/zinc/08/29/24/1031082924.db2.gz XQPFZXLZZFDMPT-UHFFFAOYSA-N 1 0 314.473 3.820 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000927099793 1031088262 /nfs/dbraw/zinc/08/82/62/1031088262.db2.gz PJUOKAAPWAWAGH-CHWSQXEVSA-N 1 0 307.434 3.645 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107122 1031092092 /nfs/dbraw/zinc/09/20/92/1031092092.db2.gz CTJZOTYUAQQRGH-HNNXBMFYSA-N 1 0 319.836 3.897 20 10 DHCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000927118085 1031103814 /nfs/dbraw/zinc/10/38/14/1031103814.db2.gz DNFCPLBEXNUVHU-OGWOLHLISA-N 1 0 318.436 3.503 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1O ZINC000292726916 1031144954 /nfs/dbraw/zinc/14/49/54/1031144954.db2.gz FYGXFGNSOIEANZ-SJKOYZFVSA-N 1 0 303.427 3.554 20 10 DHCDRO CSc1ccccc1[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282064498 1031215488 /nfs/dbraw/zinc/21/54/88/1031215488.db2.gz BPRZXUOMRSJPLQ-NSHDSACASA-N 1 0 317.410 3.694 20 10 DHCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000292888478 1031236877 /nfs/dbraw/zinc/23/68/77/1031236877.db2.gz YQJUDYJDGUAMGZ-UHFFFAOYSA-N 1 0 308.809 3.893 20 10 DHCDRO CCn1cc(C[N@H+](Cc2cc(C)c(C)cc2O)C(C)C)cn1 ZINC000844738425 1031320814 /nfs/dbraw/zinc/32/08/14/1031320814.db2.gz PAGWQKFXJZXHNM-UHFFFAOYSA-N 1 0 301.434 3.636 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872024047 1031408632 /nfs/dbraw/zinc/40/86/32/1031408632.db2.gz XPKGAKYKWBNHBF-MJGOQNOKSA-N 1 0 302.462 3.582 20 10 DHCDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CN2 ZINC000844908025 1031409888 /nfs/dbraw/zinc/40/98/88/1031409888.db2.gz PEWTVYVAJHAQPU-LJQANCHMSA-N 1 0 321.468 3.803 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2[O-])C2(CC2)C1 ZINC001144308128 1031458751 /nfs/dbraw/zinc/45/87/51/1031458751.db2.gz QOZNOZJSTNWCON-SECBINFHSA-N 1 0 314.198 3.668 20 10 DHCDRO CCc1onc(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929295962 1031487502 /nfs/dbraw/zinc/48/75/02/1031487502.db2.gz NJEACDBADNJWIB-UHFFFAOYSA-N 1 0 313.445 3.776 20 10 DHCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc2ccccc2c1O ZINC000872111656 1031502867 /nfs/dbraw/zinc/50/28/67/1031502867.db2.gz FNVKOTSLEGHRFJ-ZFWWWQNUSA-N 1 0 313.397 3.539 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000872132461 1031525180 /nfs/dbraw/zinc/52/51/80/1031525180.db2.gz FXFPKKUFKNRWFJ-SUZMYJTESA-N 1 0 301.365 3.529 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000872132456 1031525703 /nfs/dbraw/zinc/52/57/03/1031525703.db2.gz FXFPKKUFKNRWFJ-CDMKHQONSA-N 1 0 301.365 3.529 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000872132445 1031525792 /nfs/dbraw/zinc/52/57/92/1031525792.db2.gz HSLGUUOYIBXNAC-XVGQJIODSA-N 1 0 315.413 3.564 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000293653591 1031557102 /nfs/dbraw/zinc/55/71/02/1031557102.db2.gz ITAVZFCBIQQYTF-AWEZNQCLSA-N 1 0 312.413 3.818 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@H](n3ccnc3C(C)C)C2)c1O ZINC000360792046 1031562210 /nfs/dbraw/zinc/56/22/10/1031562210.db2.gz SNIYYJFOEVATFH-KRWDZBQOSA-N 1 0 313.445 3.858 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1OC ZINC000293700074 1031579111 /nfs/dbraw/zinc/57/91/11/1031579111.db2.gz LHEBZQKUGDXDHC-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000293797947 1031630259 /nfs/dbraw/zinc/63/02/59/1031630259.db2.gz UTHRDEZMJSXPGR-LLVKDONJSA-N 1 0 304.390 3.501 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000872721186 1031648486 /nfs/dbraw/zinc/64/84/86/1031648486.db2.gz CVVVSILHDMVGFE-JSGCOSHPSA-N 1 0 321.486 3.580 20 10 DHCDRO COC/C(C)=C/C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929970062 1031663588 /nfs/dbraw/zinc/66/35/88/1031663588.db2.gz HTLHLNVGQRSXCU-OQLLNIDSSA-N 1 0 301.386 3.580 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(O)c1 ZINC001144514657 1031672852 /nfs/dbraw/zinc/67/28/52/1031672852.db2.gz NTUXITJIHYVDLR-HNNXBMFYSA-N 1 0 313.397 3.573 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1C ZINC000873012678 1031692877 /nfs/dbraw/zinc/69/28/77/1031692877.db2.gz MWSNYLLDKHALAZ-QGZVFWFLSA-N 1 0 313.445 3.685 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000873014588 1031693217 /nfs/dbraw/zinc/69/32/17/1031693217.db2.gz AYEYIRJPZKGTHH-UHFFFAOYSA-N 1 0 320.440 3.766 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCc2c(C)noc2C)cc1C ZINC000873048017 1031699481 /nfs/dbraw/zinc/69/94/81/1031699481.db2.gz MEXSZAQOOLPGSN-UHFFFAOYSA-N 1 0 302.418 3.721 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1C ZINC000873135144 1031723001 /nfs/dbraw/zinc/72/30/01/1031723001.db2.gz HBBNQVZJMPPOBE-JLHGSKIFSA-N 1 0 323.502 3.563 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000294011005 1031752718 /nfs/dbraw/zinc/75/27/18/1031752718.db2.gz UHNXKQABTOXYPC-SFHVURJKSA-N 1 0 312.413 3.769 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C1CC[NH2+]CC1 ZINC000873270128 1031782411 /nfs/dbraw/zinc/78/24/11/1031782411.db2.gz XPLWBHCGQZRXPY-ZJUUUORDSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000845973270 1031788857 /nfs/dbraw/zinc/78/88/57/1031788857.db2.gz XAIJSAGFMRBMPE-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019102 1031808075 /nfs/dbraw/zinc/80/80/75/1031808075.db2.gz XQDKQKPJZPORFS-BZNIZROVSA-N 1 0 323.795 3.705 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042421 1031838719 /nfs/dbraw/zinc/83/87/19/1031838719.db2.gz LQRKLSYZUCSZPS-FQEVSTJZSA-N 1 0 314.473 3.582 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCSC(C)(C)C2)ccc1OC ZINC000897800379 1031843026 /nfs/dbraw/zinc/84/30/26/1031843026.db2.gz QLZQOCPRXQKWPY-INIZCTEOSA-N 1 0 323.502 3.996 20 10 DHCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000846111462 1031864046 /nfs/dbraw/zinc/86/40/46/1031864046.db2.gz PKGIGBNLVALDFA-HNNXBMFYSA-N 1 0 318.486 3.587 20 10 DHCDRO FC(F)O[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000781531452 1031870940 /nfs/dbraw/zinc/87/09/40/1031870940.db2.gz CFAAEXTVDPICEK-QGZVFWFLSA-N 1 0 324.415 3.881 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1c(C)nn(C)c1C ZINC000846149516 1031883152 /nfs/dbraw/zinc/88/31/52/1031883152.db2.gz ZSAODDHWJILGIR-NHYWBVRUSA-N 1 0 317.433 3.553 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148799 1031884099 /nfs/dbraw/zinc/88/40/99/1031884099.db2.gz HELXLHYKKSHWBJ-MLGOLLRUSA-N 1 0 313.397 3.748 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)c1O ZINC000846154815 1031885625 /nfs/dbraw/zinc/88/56/25/1031885625.db2.gz TYPHSODYMQWCDR-IINYFYTJSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2(C)Cc3ccccc3C2)c1O ZINC000846159837 1031889585 /nfs/dbraw/zinc/88/95/85/1031889585.db2.gz RERMJEOTWCXJAH-CQSZACIVSA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)c1O ZINC000846159526 1031891439 /nfs/dbraw/zinc/89/14/39/1031891439.db2.gz PTRXGAWBRUXCAO-CYBMUJFWSA-N 1 0 323.433 3.563 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(Cc3ccc(F)cc3)CC2)c1O ZINC000846167800 1031893437 /nfs/dbraw/zinc/89/34/37/1031893437.db2.gz DWMCRHRVSQJYKT-CYBMUJFWSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2CCC(CSC)CC2)c1O ZINC000846169076 1031893846 /nfs/dbraw/zinc/89/38/46/1031893846.db2.gz FRPHVJSVLWWUPO-HSBZDZAISA-N 1 0 309.475 3.973 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000846170236 1031896849 /nfs/dbraw/zinc/89/68/49/1031896849.db2.gz MTJLCZSCVBOLJQ-DVOMOZLQSA-N 1 0 313.397 3.964 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(OC)c2ccccc2)c1O ZINC000846168178 1031897607 /nfs/dbraw/zinc/89/76/07/1031897607.db2.gz HVDLIUAEHHEZLI-LIRRHRJNSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c1O ZINC000846140634 1031899964 /nfs/dbraw/zinc/89/99/64/1031899964.db2.gz BURPAXJMQPSXPQ-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c1O ZINC000846140169 1031900100 /nfs/dbraw/zinc/90/01/00/1031900100.db2.gz IBAJFGFUDCCFOM-CABCVRRESA-N 1 0 314.429 3.576 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)c1O ZINC000846144520 1031905609 /nfs/dbraw/zinc/90/56/09/1031905609.db2.gz HKRZQEOHGWTSPC-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(SC)cc2)c1O ZINC000846144919 1031906009 /nfs/dbraw/zinc/90/60/09/1031906009.db2.gz OBZWMWGSGMMEHY-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1O ZINC000846147032 1031906515 /nfs/dbraw/zinc/90/65/15/1031906515.db2.gz ULOSGWYCWSTLBQ-DEYYWGMASA-N 1 0 321.461 3.893 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1O ZINC000846145898 1031907005 /nfs/dbraw/zinc/90/70/05/1031907005.db2.gz OPUMUTBPYIYKBI-KBPBESRZSA-N 1 0 313.397 3.618 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOC2CCCCCC2)c1O ZINC000846144212 1031907265 /nfs/dbraw/zinc/90/72/65/1031907265.db2.gz JZJOXKMTSVUTTA-CQSZACIVSA-N 1 0 307.434 3.791 20 10 DHCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000846211133 1031909379 /nfs/dbraw/zinc/90/93/79/1031909379.db2.gz TVBFDBAJJKWAKY-NSHDSACASA-N 1 0 317.351 3.614 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1F ZINC000846184056 1031916147 /nfs/dbraw/zinc/91/61/47/1031916147.db2.gz QICVOLVLOBVQTI-DINDLPBHSA-N 1 0 323.795 3.957 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183957 1031916899 /nfs/dbraw/zinc/91/68/99/1031916899.db2.gz PRBNADHSFCIVGI-CKFHNAJUSA-N 1 0 316.420 3.664 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@](C)(O)c1ccccc1 ZINC000846185540 1031919762 /nfs/dbraw/zinc/91/97/62/1031919762.db2.gz APTYROHJTRQKER-VEVIJQCQSA-N 1 0 319.832 3.992 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2O ZINC000846187089 1031919958 /nfs/dbraw/zinc/91/99/58/1031919958.db2.gz IEZQUWQOJSPUFA-KOXAJKMWSA-N 1 0 319.420 3.874 20 10 DHCDRO Cc1ccc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c(O)c1 ZINC000877490462 1033319570 /nfs/dbraw/zinc/31/95/70/1033319570.db2.gz WPAGJMIDQUONSP-KRWDZBQOSA-N 1 0 312.413 3.698 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000877491876 1033322372 /nfs/dbraw/zinc/32/23/72/1033322372.db2.gz PYGDWUBZUQPKOP-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000877516610 1033329598 /nfs/dbraw/zinc/32/95/98/1033329598.db2.gz GYAPVKDWLIOIKB-AABGKKOBSA-N 1 0 323.436 3.705 20 10 DHCDRO CCC(CC)[N@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877536233 1033342914 /nfs/dbraw/zinc/34/29/14/1033342914.db2.gz MFTVUSOGCYRHLU-UHFFFAOYSA-N 1 0 304.478 3.658 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(O)c1 ZINC000877548311 1033348673 /nfs/dbraw/zinc/34/86/73/1033348673.db2.gz VPHAMLLQUQBUCP-SJCJKPOMSA-N 1 0 303.427 3.554 20 10 DHCDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001172762376 1033357428 /nfs/dbraw/zinc/35/74/28/1033357428.db2.gz WWPVXELOWBIZOK-AWEZNQCLSA-N 1 0 315.413 3.755 20 10 DHCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001172776525 1033364094 /nfs/dbraw/zinc/36/40/94/1033364094.db2.gz LDMAEMFASQTXPI-USXIJHARSA-N 1 0 318.461 3.525 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000877644661 1033394907 /nfs/dbraw/zinc/39/49/07/1033394907.db2.gz ZBVUOZCIPXQCRC-QGZVFWFLSA-N 1 0 319.408 3.663 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000877663735 1033402765 /nfs/dbraw/zinc/40/27/65/1033402765.db2.gz XVJGKGXZRNSHCM-MRXNPFEDSA-N 1 0 323.795 3.706 20 10 DHCDRO CCC1([NH+](C)C)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000877689199 1033413483 /nfs/dbraw/zinc/41/34/83/1033413483.db2.gz ANPGLJIJCYCMDE-FPLPWBNLSA-N 1 0 315.505 3.572 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCO2 ZINC000126669628 1033414681 /nfs/dbraw/zinc/41/46/81/1033414681.db2.gz HLTTVZXCJDDQLR-CQSZACIVSA-N 1 0 324.424 3.649 20 10 DHCDRO CCc1cccc(C[NH2+]CCSCCC(F)(F)F)c1O ZINC000877730317 1033422813 /nfs/dbraw/zinc/42/28/13/1033422813.db2.gz VVOVSJNBTIXYLD-UHFFFAOYSA-N 1 0 307.381 3.730 20 10 DHCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(O)c1O ZINC001172856910 1033427017 /nfs/dbraw/zinc/42/70/17/1033427017.db2.gz AOOXCTGUZGHXJI-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO CCc1noc(C2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)n1 ZINC000877757423 1033434600 /nfs/dbraw/zinc/43/46/00/1033434600.db2.gz ZYRPLKKDISDRFS-HSBZDZAISA-N 1 0 315.417 3.715 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1O ZINC000877758256 1033435032 /nfs/dbraw/zinc/43/50/32/1033435032.db2.gz PMMIORSPZIXBGT-JTQLQIEISA-N 1 0 311.303 3.967 20 10 DHCDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877756517 1033436100 /nfs/dbraw/zinc/43/61/00/1033436100.db2.gz OWZLDLRCJWVCKN-HUUCEWRRSA-N 1 0 312.413 3.769 20 10 DHCDRO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000877813866 1033465633 /nfs/dbraw/zinc/46/56/33/1033465633.db2.gz PQZAXODIZGJYDI-HNNXBMFYSA-N 1 0 301.459 3.507 20 10 DHCDRO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000877813868 1033466322 /nfs/dbraw/zinc/46/63/22/1033466322.db2.gz PQZAXODIZGJYDI-OAHLLOKOSA-N 1 0 301.459 3.507 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000152872669 1033548800 /nfs/dbraw/zinc/54/88/00/1033548800.db2.gz KMHPUFAGSAEFOE-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO CN(c1ccc(C[NH2+]CC2=CCCOC2)cc1)C1CCCCC1 ZINC000126859222 1033562768 /nfs/dbraw/zinc/56/27/68/1033562768.db2.gz XUCLYYSDZUTOOC-UHFFFAOYSA-N 1 0 314.473 3.892 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000927099795 1033705556 /nfs/dbraw/zinc/70/55/56/1033705556.db2.gz PJUOKAAPWAWAGH-QWHCGFSZSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000127126512 1033719087 /nfs/dbraw/zinc/71/90/87/1033719087.db2.gz KPGFAWBFHKLXEE-KRWDZBQOSA-N 1 0 312.461 3.614 20 10 DHCDRO C[C@@H](NCc1cscn1)c1ccc(N2CCCCC2)cc1 ZINC000127276799 1033791761 /nfs/dbraw/zinc/79/17/61/1033791761.db2.gz ZNVQDFNBNRUJOR-CQSZACIVSA-N 1 0 301.459 3.984 20 10 DHCDRO CN(C)c1cc(F)c(CN2CCC[C@@H]2c2cccnc2)cc1F ZINC000862367124 1033831589 /nfs/dbraw/zinc/83/15/89/1033831589.db2.gz WUUDFVYQVXBKJC-QGZVFWFLSA-N 1 0 317.383 3.763 20 10 DHCDRO COCCC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000862437589 1033853080 /nfs/dbraw/zinc/85/30/80/1033853080.db2.gz STGPPDLIJYIQPT-PLNGDYQASA-N 1 0 302.462 3.514 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000862536014 1033878509 /nfs/dbraw/zinc/87/85/09/1033878509.db2.gz DGJUUZGPMMQGQX-UHFFFAOYSA-N 1 0 303.324 3.613 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1O ZINC000927124933 1033960410 /nfs/dbraw/zinc/96/04/10/1033960410.db2.gz OOCWSONQNXCXRL-UONOGXRCSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000119327205 1034022182 /nfs/dbraw/zinc/02/21/82/1034022182.db2.gz MYGISYTUWDYUBU-UHFFFAOYSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1N1CCCCC1 ZINC000879786998 1034123448 /nfs/dbraw/zinc/12/34/48/1034123448.db2.gz CBIBBKUWMGLFMK-GOSISDBHSA-N 1 0 324.472 3.807 20 10 DHCDRO C[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C[NH2+]1 ZINC000863546197 1034125363 /nfs/dbraw/zinc/12/53/63/1034125363.db2.gz JVCWQLCTSPOPHT-KPFFTGBYSA-N 1 0 324.468 3.796 20 10 DHCDRO C[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)c2ccccc2O)C[NH2+]1 ZINC000863546192 1034127164 /nfs/dbraw/zinc/12/71/64/1034127164.db2.gz JVCWQLCTSPOPHT-IMFGXOCKSA-N 1 0 324.468 3.796 20 10 DHCDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178024310 1034202689 /nfs/dbraw/zinc/20/26/89/1034202689.db2.gz DUOURBBHPYGVJD-ZDUSSCGKSA-N 1 0 320.433 3.575 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1Cl ZINC000826142374 1034210122 /nfs/dbraw/zinc/21/01/22/1034210122.db2.gz ANQVFCYMLSQKMW-AWEZNQCLSA-N 1 0 301.764 3.975 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1OC ZINC000179476096 1034310614 /nfs/dbraw/zinc/31/06/14/1034310614.db2.gz LSTZAZNNTNSZAG-MRXNPFEDSA-N 1 0 313.397 3.529 20 10 DHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cc1OC ZINC000179555395 1034316154 /nfs/dbraw/zinc/31/61/54/1034316154.db2.gz KYZCNFCYKASZQD-INIZCTEOSA-N 1 0 313.397 3.747 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1O ZINC000183414226 1034386498 /nfs/dbraw/zinc/38/64/98/1034386498.db2.gz CGNKOHZSHBKMPZ-AWEZNQCLSA-N 1 0 312.413 3.959 20 10 DHCDRO COc1ccc(CCC[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183449122 1034388010 /nfs/dbraw/zinc/38/80/10/1034388010.db2.gz QTCWEKXEDQQPIF-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1O ZINC000183539060 1034396706 /nfs/dbraw/zinc/39/67/06/1034396706.db2.gz KKRWVVRQJJPFCJ-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000183632550 1034407595 /nfs/dbraw/zinc/40/75/95/1034407595.db2.gz NZDBIKWUVQLIGW-QLJPJBMISA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183714967 1034414699 /nfs/dbraw/zinc/41/46/99/1034414699.db2.gz SWAXYAKWXZUVPY-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1O ZINC000794801766 1034473313 /nfs/dbraw/zinc/47/33/13/1034473313.db2.gz KZWKEFBJAYDQAD-FUHWJXTLSA-N 1 0 311.429 3.917 20 10 DHCDRO CC[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C)cc1O ZINC000794794217 1034475212 /nfs/dbraw/zinc/47/52/12/1034475212.db2.gz QNASYSCWAZNDDJ-FQEVSTJZSA-N 1 0 324.468 3.800 20 10 DHCDRO CC[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805794 1034504938 /nfs/dbraw/zinc/50/49/38/1034504938.db2.gz YLRHAEFJPZXFCP-KRWDZBQOSA-N 1 0 303.377 3.959 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884638 1034507138 /nfs/dbraw/zinc/50/71/38/1034507138.db2.gz OUYQHHNMBZNIIX-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(C)cc1O ZINC000794809683 1034510504 /nfs/dbraw/zinc/51/05/04/1034510504.db2.gz HUPKCOPVBMVRAZ-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)ccn1 ZINC000184974001 1034516615 /nfs/dbraw/zinc/51/66/15/1034516615.db2.gz SRDHRJNZOCCILW-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000184998345 1034519294 /nfs/dbraw/zinc/51/92/94/1034519294.db2.gz CRMASWQNNXTBLG-DLBZAZTESA-N 1 0 310.441 3.878 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000184998304 1034519669 /nfs/dbraw/zinc/51/96/69/1034519669.db2.gz CRMASWQNNXTBLG-IRXDYDNUSA-N 1 0 310.441 3.878 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(C)cc1O ZINC000794811680 1034520026 /nfs/dbraw/zinc/52/00/26/1034520026.db2.gz XUPYHMUDCRKNIH-QGZVFWFLSA-N 1 0 301.434 3.775 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794813021 1034521062 /nfs/dbraw/zinc/52/10/62/1034521062.db2.gz ARXYTCSGYVTNIO-MNEFBYGVSA-N 1 0 313.441 3.733 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C)cc1O ZINC000794814762 1034524353 /nfs/dbraw/zinc/52/43/53/1034524353.db2.gz IMRYFUHXAINBCW-JTSKRJEESA-N 1 0 317.454 3.679 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794816427 1034525301 /nfs/dbraw/zinc/52/53/01/1034525301.db2.gz KQZGYQPITYILET-GOSISDBHSA-N 1 0 315.461 3.724 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1OC ZINC000185076770 1034527988 /nfs/dbraw/zinc/52/79/88/1034527988.db2.gz YAESBHBPOAXHMG-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000185151802 1034533896 /nfs/dbraw/zinc/53/38/96/1034533896.db2.gz XXEYNRUDUJBRQC-CQSZACIVSA-N 1 0 309.413 3.860 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(C)cc1O ZINC000794811638 1034535070 /nfs/dbraw/zinc/53/50/70/1034535070.db2.gz STTBXSRNQSJVCS-IRXDYDNUSA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1O ZINC000794817767 1034538091 /nfs/dbraw/zinc/53/80/91/1034538091.db2.gz VQHJYWKKKVCEGT-IEBWSBKVSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(C)cc1O ZINC000794819199 1034538860 /nfs/dbraw/zinc/53/88/60/1034538860.db2.gz YKIBMYDRMWZOOR-NVXWUHKLSA-N 1 0 319.445 3.817 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)c1 ZINC000185310243 1034540987 /nfs/dbraw/zinc/54/09/87/1034540987.db2.gz OCSAGXOWTAWLHL-GFCCVEGCSA-N 1 0 320.458 3.874 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185349876 1034542153 /nfs/dbraw/zinc/54/21/53/1034542153.db2.gz SUUUQSWPXSMBDV-QWHCGFSZSA-N 1 0 313.445 3.725 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1C ZINC000794825307 1034548959 /nfs/dbraw/zinc/54/89/59/1034548959.db2.gz MGLJIKGNPSEQDW-OCCSQVGLSA-N 1 0 322.449 3.573 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)o1 ZINC000185676908 1034564352 /nfs/dbraw/zinc/56/43/52/1034564352.db2.gz IJGUFAPXRXAUFB-OAHLLOKOSA-N 1 0 305.349 3.608 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000186093493 1034598905 /nfs/dbraw/zinc/59/89/05/1034598905.db2.gz FMEQZSFCRRYQGP-DEYYWGMASA-N 1 0 307.434 3.503 20 10 DHCDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000186137769 1034601634 /nfs/dbraw/zinc/60/16/34/1034601634.db2.gz VYZKVOMMEPMOEM-ZDUSSCGKSA-N 1 0 316.470 3.990 20 10 DHCDRO COc1ccc(O)c([C@H](C)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000186477388 1034635173 /nfs/dbraw/zinc/63/51/73/1034635173.db2.gz PVQFQPWMAUHQQJ-AWEZNQCLSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1ccc(C[NH2+]CCCCC(=O)OC(C)(C)C)cc1C ZINC000773425688 1034677737 /nfs/dbraw/zinc/67/77/37/1034677737.db2.gz AZPUWVHRDOPPLP-UHFFFAOYSA-N 1 0 307.434 3.605 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccnn1C ZINC000192846853 1034822498 /nfs/dbraw/zinc/82/24/98/1034822498.db2.gz BUUKFCLCRARCQC-MRXNPFEDSA-N 1 0 312.461 3.507 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001175418401 1034974691 /nfs/dbraw/zinc/97/46/91/1034974691.db2.gz IRECBGOJDICDJG-JTQLQIEISA-N 1 0 306.749 3.805 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c(O)c1 ZINC000194374754 1035119383 /nfs/dbraw/zinc/11/93/83/1035119383.db2.gz KRJSQJXHGMROTE-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO [NH3+]Cc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001175973291 1035171293 /nfs/dbraw/zinc/17/12/93/1035171293.db2.gz YKDPCXZUFCUGKL-UHFFFAOYSA-N 1 0 303.365 3.515 20 10 DHCDRO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001176176046 1035212445 /nfs/dbraw/zinc/21/24/45/1035212445.db2.gz OPFBXWOWTXRQJQ-HXUWFJFHSA-N 1 0 312.457 3.535 20 10 DHCDRO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)[nH]n1 ZINC001176484121 1035278274 /nfs/dbraw/zinc/27/82/74/1035278274.db2.gz ANQNPJKOKJTDFI-LJQANCHMSA-N 1 0 312.461 3.820 20 10 DHCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177333294 1035364987 /nfs/dbraw/zinc/36/49/87/1035364987.db2.gz AAFKKNGQCSCTHF-MRXNPFEDSA-N 1 0 320.452 3.721 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(F)c3F)ccc21 ZINC001177529180 1035377067 /nfs/dbraw/zinc/37/70/67/1035377067.db2.gz MODWJMPYGKVSLO-UHFFFAOYSA-N 1 0 302.368 3.637 20 10 DHCDRO CC(C)(C)CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001177779056 1035391625 /nfs/dbraw/zinc/39/16/25/1035391625.db2.gz AGMARFZVHNDDBZ-UHFFFAOYSA-N 1 0 318.505 3.954 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000773765445 1035443259 /nfs/dbraw/zinc/44/32/59/1035443259.db2.gz KBNMZJXKNDFVRW-MRXNPFEDSA-N 1 0 312.457 3.911 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000773770938 1035448066 /nfs/dbraw/zinc/44/80/66/1035448066.db2.gz FQPAEORMDAAKNL-UHFFFAOYSA-N 1 0 324.468 3.938 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)cc1 ZINC001178774848 1035448654 /nfs/dbraw/zinc/44/86/54/1035448654.db2.gz MRDOLCAZJYPSOU-VQTJNVASSA-N 1 0 320.521 3.912 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(Cl)c1 ZINC001178773648 1035449086 /nfs/dbraw/zinc/44/90/86/1035449086.db2.gz BEXUBUGXBFHYIK-YOEHRIQHSA-N 1 0 313.869 3.733 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1Cn1cccn1 ZINC001178934182 1035453805 /nfs/dbraw/zinc/45/38/05/1035453805.db2.gz KNNOQJNUKDSRCI-HNNXBMFYSA-N 1 0 313.445 3.608 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC001179024508 1035459643 /nfs/dbraw/zinc/45/96/43/1035459643.db2.gz LSFBXOPDZONZEA-HOCLYGCPSA-N 1 0 316.395 3.924 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC001179252547 1035471096 /nfs/dbraw/zinc/47/10/96/1035471096.db2.gz KAQKWVTXSBNEMQ-NRFANRHFSA-N 1 0 324.468 3.764 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000773809406 1035471349 /nfs/dbraw/zinc/47/13/49/1035471349.db2.gz CWDFIYFMYQGACF-CQSZACIVSA-N 1 0 314.429 3.708 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCCO1 ZINC001179365124 1035475865 /nfs/dbraw/zinc/47/58/65/1035475865.db2.gz FWDFFRFMXIQLFQ-SFHVURJKSA-N 1 0 303.446 3.697 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1c2ccccc2CN1C ZINC001179385527 1035476593 /nfs/dbraw/zinc/47/65/93/1035476593.db2.gz AUGOYHVJBDKSFR-NRFANRHFSA-N 1 0 319.452 3.763 20 10 DHCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3c(O)cccc3Cl)ccc2O1 ZINC001179537370 1035481098 /nfs/dbraw/zinc/48/10/98/1035481098.db2.gz ISYOWWIDNNPJFW-LLVKDONJSA-N 1 0 303.789 3.659 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000773825575 1035498792 /nfs/dbraw/zinc/49/87/92/1035498792.db2.gz XQINPFACASBEQK-UHFFFAOYSA-N 1 0 323.484 3.992 20 10 DHCDRO COCCCOC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001180017569 1035567716 /nfs/dbraw/zinc/56/77/16/1035567716.db2.gz GKNNHRZUYSUBQW-UHFFFAOYSA-N 1 0 321.461 3.533 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001180052869 1035577165 /nfs/dbraw/zinc/57/71/65/1035577165.db2.gz WEIGVBXWAGLEDE-NVXWUHKLSA-N 1 0 307.459 3.569 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC001193247834 1035592219 /nfs/dbraw/zinc/59/22/19/1035592219.db2.gz AMLLGETVDJYYPA-FUHWJXTLSA-N 1 0 316.489 3.746 20 10 DHCDRO CC(C)C[N@H+](Cc1ccccn1)Cc1c(O)ccc2ccncc21 ZINC000905746862 1035622261 /nfs/dbraw/zinc/62/22/61/1035622261.db2.gz XZEKANNHERYGEX-UHFFFAOYSA-N 1 0 321.424 3.994 20 10 DHCDRO Cn1ccc(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000905721106 1035627662 /nfs/dbraw/zinc/62/76/62/1035627662.db2.gz GTVUPZSGXOZZGT-UHFFFAOYSA-N 1 0 321.424 3.659 20 10 DHCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001193575710 1035669277 /nfs/dbraw/zinc/66/92/77/1035669277.db2.gz SYNNBYREBVMPPQ-HNAYVOBHSA-N 1 0 304.478 3.999 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC001180926527 1035786460 /nfs/dbraw/zinc/78/64/60/1035786460.db2.gz HTSJRJPLBXHWKX-QGZVFWFLSA-N 1 0 315.461 3.779 20 10 DHCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775632878 1036121394 /nfs/dbraw/zinc/12/13/94/1036121394.db2.gz CRLKXQFQEZNMHO-FQEVSTJZSA-N 1 0 315.505 3.591 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c1O ZINC001182271606 1036161607 /nfs/dbraw/zinc/16/16/07/1036161607.db2.gz JFUOJHHFWMKXSO-CQSZACIVSA-N 1 0 317.404 3.911 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cc1 ZINC000775643091 1036162268 /nfs/dbraw/zinc/16/22/68/1036162268.db2.gz LPZFLUBJEPHUSH-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266041 1036265193 /nfs/dbraw/zinc/26/51/93/1036265193.db2.gz NEJJTIXEQZPUGK-PSASIEDQSA-N 1 0 304.217 3.511 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1O ZINC000775660258 1036266947 /nfs/dbraw/zinc/26/69/47/1036266947.db2.gz DPIKMEXOUKALJM-LJQANCHMSA-N 1 0 311.425 3.882 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182424970 1036275467 /nfs/dbraw/zinc/27/54/67/1036275467.db2.gz XSDDGXBXGYMZTN-XKGZKEIXSA-N 1 0 318.505 3.929 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774360997 1036298008 /nfs/dbraw/zinc/29/80/08/1036298008.db2.gz WJWNYCIHACPYBV-HAGUPOPPSA-N 1 0 304.217 3.509 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)CCC(C)(C)C2CC2)cc1 ZINC001195790938 1036347256 /nfs/dbraw/zinc/34/72/56/1036347256.db2.gz WMCJNSMXCNVONC-UHFFFAOYSA-N 1 0 304.478 3.890 20 10 DHCDRO CN(C)c1ccc(/C=C\CNc2ccc(N3CCCC3)cn2)cc1 ZINC001182499210 1036364292 /nfs/dbraw/zinc/36/42/92/1036364292.db2.gz MFYGWYTVSLJBFP-WAYWQWQTSA-N 1 0 322.456 3.873 20 10 DHCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000775678263 1036409975 /nfs/dbraw/zinc/40/99/75/1036409975.db2.gz YPYGGUYWSYNCIQ-CQSZACIVSA-N 1 0 310.235 3.838 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC001182684546 1036423586 /nfs/dbraw/zinc/42/35/86/1036423586.db2.gz NDYSLAPMBUZUGA-FOIQADDNSA-N 1 0 313.441 3.901 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC001182854102 1036466793 /nfs/dbraw/zinc/46/67/93/1036466793.db2.gz FRDIFYDPTXWGEG-SQNIBIBYSA-N 1 0 314.473 3.832 20 10 DHCDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cc(C)ccc2O)cc1F ZINC001182960419 1036487519 /nfs/dbraw/zinc/48/75/19/1036487519.db2.gz RAZMGTBLIQEHTB-AWEZNQCLSA-N 1 0 317.404 3.817 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000775715281 1036527428 /nfs/dbraw/zinc/52/74/28/1036527428.db2.gz YRFQZBUAZSPTMG-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001203561156 1036549487 /nfs/dbraw/zinc/54/94/87/1036549487.db2.gz MMNBMMAFJQSRMW-INIZCTEOSA-N 1 0 303.402 3.898 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000775725824 1036559927 /nfs/dbraw/zinc/55/99/27/1036559927.db2.gz UAKHQBXLYCPZTH-UHFFFAOYSA-N 1 0 322.861 3.738 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1O ZINC001183708058 1036654160 /nfs/dbraw/zinc/65/41/60/1036654160.db2.gz CROKDGFJYORZLL-KBPBESRZSA-N 1 0 317.351 3.544 20 10 DHCDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001183875779 1036690136 /nfs/dbraw/zinc/69/01/36/1036690136.db2.gz HJFLGJHBGCWJLU-IAGOWNOFSA-N 1 0 316.489 3.516 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCCC1 ZINC001184217318 1036772068 /nfs/dbraw/zinc/77/20/68/1036772068.db2.gz DTFBNFMJTVYVHY-JXFKEZNVSA-N 1 0 317.521 3.914 20 10 DHCDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184219511 1036773541 /nfs/dbraw/zinc/77/35/41/1036773541.db2.gz WCBIWRVTAVQPQQ-MBOZVWFJSA-N 1 0 317.521 3.771 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1O ZINC000246586325 1036877716 /nfs/dbraw/zinc/87/77/16/1036877716.db2.gz MIKWNZJYNUCDAF-GDBMZVCRSA-N 1 0 307.459 3.569 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775828900 1036975904 /nfs/dbraw/zinc/97/59/04/1036975904.db2.gz VROCASFYOCPIEA-GFCCVEGCSA-N 1 0 312.442 3.608 20 10 DHCDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832740 1036987272 /nfs/dbraw/zinc/98/72/72/1036987272.db2.gz BBYLANHWBSLGRA-MRXNPFEDSA-N 1 0 310.441 3.985 20 10 DHCDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834294 1036996298 /nfs/dbraw/zinc/99/62/98/1036996298.db2.gz QKFBKRBIRDSJLQ-OXQOHEQNSA-N 1 0 312.457 3.754 20 10 DHCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237184470 1036997338 /nfs/dbraw/zinc/99/73/38/1036997338.db2.gz QAGKVTZXRRRGGM-LBPRGKRZSA-N 1 0 301.361 3.620 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000237263278 1037000820 /nfs/dbraw/zinc/00/08/20/1037000820.db2.gz GOZGZSAUWWVYTI-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199274908 1037222713 /nfs/dbraw/zinc/22/27/13/1037222713.db2.gz AADVYFXWKXAQNI-YSKVMHACSA-N 1 0 316.489 3.951 20 10 DHCDRO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168500805 1037225776 /nfs/dbraw/zinc/22/57/76/1037225776.db2.gz MNZVACWGEPHAJR-ZDUSSCGKSA-N 1 0 315.388 3.616 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203934142 1037251544 /nfs/dbraw/zinc/25/15/44/1037251544.db2.gz OEBCEEIEIXRRFR-IBGZPJMESA-N 1 0 314.404 3.545 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1O ZINC000776012708 1037305976 /nfs/dbraw/zinc/30/59/76/1037305976.db2.gz ACSLXBYAKUCTFK-HXUWFJFHSA-N 1 0 309.409 3.722 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203636135 1037364774 /nfs/dbraw/zinc/36/47/74/1037364774.db2.gz PRBNYZOYBROSGU-RYUDHWBXSA-N 1 0 310.235 3.777 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1O ZINC000776043182 1037394649 /nfs/dbraw/zinc/39/46/49/1037394649.db2.gz WALAAOVTGDPSEF-INIZCTEOSA-N 1 0 301.361 3.843 20 10 DHCDRO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1O ZINC000775130574 1037670031 /nfs/dbraw/zinc/67/00/31/1037670031.db2.gz MDRZSRSUTREVSG-NSHDSACASA-N 1 0 315.804 3.783 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1 ZINC000776169853 1037671349 /nfs/dbraw/zinc/67/13/49/1037671349.db2.gz XUAQEINDDNNJSI-MAUKXSAKSA-N 1 0 304.478 3.590 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](COC)Cc1ccccc1 ZINC000775139416 1037701732 /nfs/dbraw/zinc/70/17/32/1037701732.db2.gz AJMAUHHPZNIKCR-FQEVSTJZSA-N 1 0 312.457 3.619 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000151285773 1037819338 /nfs/dbraw/zinc/81/93/38/1037819338.db2.gz OLMOXBMGSYJNOO-IBGZPJMESA-N 1 0 303.446 3.611 20 10 DHCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776231120 1037981002 /nfs/dbraw/zinc/98/10/02/1037981002.db2.gz MJBWINNTLUBCAF-KRWDZBQOSA-N 1 0 319.832 3.701 20 10 DHCDRO c1ccc(CC[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000916835525 1037989454 /nfs/dbraw/zinc/98/94/54/1037989454.db2.gz LPECTXKBKRWQRM-UHFFFAOYSA-N 1 0 312.482 3.572 20 10 DHCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163905857 1038023292 /nfs/dbraw/zinc/02/32/92/1038023292.db2.gz INBYQHFEUCQEPB-TXPKVOOTSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000776253737 1038072080 /nfs/dbraw/zinc/07/20/80/1038072080.db2.gz PWLQVUIDVFBQBE-INIZCTEOSA-N 1 0 302.805 3.990 20 10 DHCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164596072 1038232505 /nfs/dbraw/zinc/23/25/05/1038232505.db2.gz GEXFHBNDXUBZEU-MRXNPFEDSA-N 1 0 319.445 3.564 20 10 DHCDRO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775362572 1038275118 /nfs/dbraw/zinc/27/51/18/1038275118.db2.gz IFHREZQHNJRUHS-CYBMUJFWSA-N 1 0 315.486 3.939 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCOc2ccccc2)c1 ZINC000775370751 1038283918 /nfs/dbraw/zinc/28/39/18/1038283918.db2.gz QDAPSFHYGPCFRP-OAHLLOKOSA-N 1 0 315.413 3.911 20 10 DHCDRO COCC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775373609 1038294240 /nfs/dbraw/zinc/29/42/40/1038294240.db2.gz VAIQIXHGDKXYFG-KSSFIOAISA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccccc1O ZINC000775414915 1038392813 /nfs/dbraw/zinc/39/28/13/1038392813.db2.gz LKSDIQWOHRJVFR-FZMZJTMJSA-N 1 0 306.431 3.797 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1O ZINC000775414969 1038394058 /nfs/dbraw/zinc/39/40/58/1038394058.db2.gz MWFSNWNMGOFTQS-MRXNPFEDSA-N 1 0 307.397 3.885 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)C[C@](C)(O)c1ccc(F)cc1 ZINC001191289470 1038480784 /nfs/dbraw/zinc/48/07/84/1038480784.db2.gz NAAWDKFIKUAGIH-IBGZPJMESA-N 1 0 317.404 3.651 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000157040358 1038488533 /nfs/dbraw/zinc/48/85/33/1038488533.db2.gz OCVYBWOVVBYDIR-GOEBONIOSA-N 1 0 305.418 3.509 20 10 DHCDRO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775486751 1038553991 /nfs/dbraw/zinc/55/39/91/1038553991.db2.gz GTDFRNPSORWJAG-MRXNPFEDSA-N 1 0 321.852 3.679 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1O ZINC000775487600 1038557160 /nfs/dbraw/zinc/55/71/60/1038557160.db2.gz LJWPFDPZYWEJJK-QZTJIDSGSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1O ZINC000775498199 1038580833 /nfs/dbraw/zinc/58/08/33/1038580833.db2.gz INFPVMLRJYOXEY-MEBBXXQBSA-N 1 0 307.825 3.889 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1O ZINC000775498197 1038581290 /nfs/dbraw/zinc/58/12/90/1038581290.db2.gz INFPVMLRJYOXEY-BONVTDFDSA-N 1 0 307.825 3.889 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1O ZINC000775500902 1038589586 /nfs/dbraw/zinc/58/95/86/1038589586.db2.gz AOUOMFBMKDREIC-INIZCTEOSA-N 1 0 305.805 3.779 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775508561 1038593038 /nfs/dbraw/zinc/59/30/38/1038593038.db2.gz CGPAIJBLJHDQNJ-UKRRQHHQSA-N 1 0 309.793 3.721 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccccc1O ZINC000775522464 1038632150 /nfs/dbraw/zinc/63/21/50/1038632150.db2.gz QFSAEGWDCBMGQA-ZBFHGGJFSA-N 1 0 321.486 3.878 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775536666 1038679632 /nfs/dbraw/zinc/67/96/32/1038679632.db2.gz MQPDUMZDZMIYCK-ZYHUDNBSSA-N 1 0 311.731 3.664 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000775539109 1038680761 /nfs/dbraw/zinc/68/07/61/1038680761.db2.gz CCARIJCWSRZDID-WBVHZDCISA-N 1 0 319.445 3.899 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000775539260 1038681209 /nfs/dbraw/zinc/68/12/09/1038681209.db2.gz DKTODSMWZCOUBK-QXCFYTAISA-N 1 0 319.445 3.755 20 10 DHCDRO CCC(CC)(C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)OC ZINC000760884384 1038963146 /nfs/dbraw/zinc/96/31/46/1038963146.db2.gz QRXHELZFDIOJQH-AAEUAGOBSA-N 1 0 323.408 3.649 20 10 DHCDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1O ZINC000760897432 1039038248 /nfs/dbraw/zinc/03/82/48/1039038248.db2.gz LTGKFBXCLDFVRZ-NSHDSACASA-N 1 0 315.804 3.783 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000172484947 1039919679 /nfs/dbraw/zinc/91/96/79/1039919679.db2.gz MGQZZQYPUZTVAT-QGZVFWFLSA-N 1 0 310.441 3.606 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000158260323 1040192483 /nfs/dbraw/zinc/19/24/83/1040192483.db2.gz RZMBLBDFBJVUPC-CRAIPNDOSA-N 1 0 321.420 3.800 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000761194705 1040554749 /nfs/dbraw/zinc/55/47/49/1040554749.db2.gz FKPVYSDROLLINM-UHFFFAOYSA-N 1 0 317.816 3.653 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000174321399 1040614397 /nfs/dbraw/zinc/61/43/97/1040614397.db2.gz YFFZJXQWSLPKAI-QGZVFWFLSA-N 1 0 316.445 3.775 20 10 DHCDRO CN(Cc1cccc2[nH]ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222944 1040774685 /nfs/dbraw/zinc/77/46/85/1040774685.db2.gz YSOPUARVHSUOIY-UHFFFAOYSA-N 1 0 323.440 3.745 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3C2)c1O ZINC000228560954 1040942545 /nfs/dbraw/zinc/94/25/45/1040942545.db2.gz PTYYBBJBQZWGDG-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(SC)CCOCC2)cc1 ZINC000090113691 185282650 /nfs/dbraw/zinc/28/26/50/185282650.db2.gz OBVOTKVTMURZRR-OAHLLOKOSA-N 1 0 322.518 3.706 20 10 DHCDRO CCC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1O ZINC000092705074 185334412 /nfs/dbraw/zinc/33/44/12/185334412.db2.gz BQNWNCMOEZUGER-UHFFFAOYSA-N 1 0 301.434 3.756 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccccc1NC(C)=O ZINC000092705056 185334431 /nfs/dbraw/zinc/33/44/31/185334431.db2.gz ZNTFKGRCYVYNKX-UHFFFAOYSA-N 1 0 312.413 3.763 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC(F)F ZINC000091956821 193133341 /nfs/dbraw/zinc/13/33/41/193133341.db2.gz BWZMCWQHUQAENG-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1cccc(O)c1 ZINC000091975175 193134858 /nfs/dbraw/zinc/13/48/58/193134858.db2.gz YNJMLFRGEDNBFP-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)CC1 ZINC000093317580 193230623 /nfs/dbraw/zinc/23/06/23/193230623.db2.gz DCMFKXVOVWBJRO-INIZCTEOSA-N 1 0 307.434 3.572 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCSC1 ZINC000273227480 130098761 /nfs/dbraw/zinc/09/87/61/130098761.db2.gz WIIPKHRUQNKXDL-MRXNPFEDSA-N 1 0 315.438 3.566 20 10 DHCDRO COc1cccc(C2([NH2+][C@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000273481142 130126051 /nfs/dbraw/zinc/12/60/51/130126051.db2.gz LXKFWFDZKXZOPH-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc(C2([NH2+][C@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000273489454 130128151 /nfs/dbraw/zinc/12/81/51/130128151.db2.gz OBHMVZUOYKAAHA-CYBMUJFWSA-N 1 0 313.397 3.749 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491837 130128528 /nfs/dbraw/zinc/12/85/28/130128528.db2.gz NKXPKYACSRHRPX-MJGOQNOKSA-N 1 0 315.388 3.883 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000273506830 130130847 /nfs/dbraw/zinc/13/08/47/130130847.db2.gz RBTWRSOITUUTSX-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527029 130132441 /nfs/dbraw/zinc/13/24/41/130132441.db2.gz VMXMTMKTHLTGMW-QWHCGFSZSA-N 1 0 302.422 3.662 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000273543119 130135233 /nfs/dbraw/zinc/13/52/33/130135233.db2.gz YXDIGUBCJOJLNF-QWRGUYRKSA-N 1 0 304.321 3.851 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000273562269 130137583 /nfs/dbraw/zinc/13/75/83/130137583.db2.gz IKEOZXUIHULBFE-KGLIPLIRSA-N 1 0 324.424 3.631 20 10 DHCDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1O ZINC000273992833 130195452 /nfs/dbraw/zinc/19/54/52/130195452.db2.gz MENIIJZCBHHKFI-FVWXCPNNSA-N 1 0 311.425 3.873 20 10 DHCDRO Cn1nccc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000274941097 130276398 /nfs/dbraw/zinc/27/63/98/130276398.db2.gz MSDBDFMGGMUJLQ-LJQANCHMSA-N 1 0 321.424 3.589 20 10 DHCDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275059192 130288315 /nfs/dbraw/zinc/28/83/15/130288315.db2.gz PAFGUEOBIIFJEJ-QFBILLFUSA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000284195558 131057837 /nfs/dbraw/zinc/05/78/37/131057837.db2.gz RWLOFQOGFPJIHT-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000285237145 131150127 /nfs/dbraw/zinc/15/01/27/131150127.db2.gz PMDHHEBQAPJTHT-RLFYNMQTSA-N 1 0 321.486 3.714 20 10 DHCDRO c1cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000285378282 131162808 /nfs/dbraw/zinc/16/28/08/131162808.db2.gz GKZWBPWJVHEJFO-UHFFFAOYSA-N 1 0 322.408 3.559 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286733552 131247717 /nfs/dbraw/zinc/24/77/17/131247717.db2.gz HIWHRDRVGXZXEU-GOSISDBHSA-N 1 0 318.848 3.619 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373588 131322197 /nfs/dbraw/zinc/32/21/97/131322197.db2.gz FICFLHUPEKWKSS-QGZVFWFLSA-N 1 0 319.832 3.876 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473594 132017039 /nfs/dbraw/zinc/01/70/39/132017039.db2.gz YSRMJSHMOTYEFG-PBHICJAKSA-N 1 0 319.408 3.916 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1C ZINC000298394614 132059846 /nfs/dbraw/zinc/05/98/46/132059846.db2.gz HPECXBQCJWJHPQ-UHFFFAOYSA-N 1 0 321.424 3.538 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000119659025 132135399 /nfs/dbraw/zinc/13/53/99/132135399.db2.gz AVTUJFAWDNCZAM-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000560287722 332327651 /nfs/dbraw/zinc/32/76/51/332327651.db2.gz GVCPDCHWOANTOV-UHFFFAOYSA-N 1 0 322.456 3.864 20 10 DHCDRO OCC1([C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)CCC1 ZINC000293816344 335117417 /nfs/dbraw/zinc/11/74/17/335117417.db2.gz FMPZVVGCDCJYAS-SFHVURJKSA-N 1 0 315.388 3.525 20 10 DHCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000178018725 333134567 /nfs/dbraw/zinc/13/45/67/333134567.db2.gz KCCRGUHSUGPYQV-QGZVFWFLSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185396069 333208138 /nfs/dbraw/zinc/20/81/38/333208138.db2.gz QQYVFIHGNUCMBA-GFCCVEGCSA-N 1 0 314.429 3.769 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297129013 335149763 /nfs/dbraw/zinc/14/97/63/335149763.db2.gz YVOIFTFPXHYNKB-UXIGCNINSA-N 1 0 303.427 3.543 20 10 DHCDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297255785 335152275 /nfs/dbraw/zinc/15/22/75/335152275.db2.gz JRDGOKLSCPKTPP-CVEARBPZSA-N 1 0 317.816 3.746 20 10 DHCDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297255792 335152347 /nfs/dbraw/zinc/15/23/47/335152347.db2.gz JRDGOKLSCPKTPP-HZPDHXFCSA-N 1 0 317.816 3.746 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1O ZINC000263645168 333946861 /nfs/dbraw/zinc/94/68/61/333946861.db2.gz BDKWQBJDSMWGQH-UHFFFAOYSA-N 1 0 318.442 3.725 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464522 334047534 /nfs/dbraw/zinc/04/75/34/334047534.db2.gz IEUWGZNNKYQRIC-SJLPKXTDSA-N 1 0 301.361 3.541 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nc3c(s1)CCCC3)CC2 ZINC000296830208 334237039 /nfs/dbraw/zinc/23/70/39/334237039.db2.gz MNCXNWJKGBDAJB-AWEZNQCLSA-N 1 0 314.454 3.547 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194375070 338516553 /nfs/dbraw/zinc/51/65/53/338516553.db2.gz FMSXXWOAUIOOKI-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194375083 338516642 /nfs/dbraw/zinc/51/66/42/338516642.db2.gz FMSXXWOAUIOOKI-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000325004028 336276229 /nfs/dbraw/zinc/27/62/29/336276229.db2.gz AJGSXBDAERKWNN-HNNXBMFYSA-N 1 0 320.440 3.994 20 10 DHCDRO CC[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1O ZINC000192931115 336284758 /nfs/dbraw/zinc/28/47/58/336284758.db2.gz XKKSVZPQNGZOIQ-INIZCTEOSA-N 1 0 309.413 3.873 20 10 DHCDRO Cc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ncn1 ZINC000301227821 336295739 /nfs/dbraw/zinc/29/57/39/336295739.db2.gz FVRYECHZABCBJA-UHFFFAOYSA-N 1 0 308.360 3.699 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCC3=CCCC3)CC2)cc1 ZINC000362317672 336792125 /nfs/dbraw/zinc/79/21/25/336792125.db2.gz LBKQIBANCXMTIX-UHFFFAOYSA-N 1 0 300.446 3.754 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214697 336840365 /nfs/dbraw/zinc/84/03/65/336840365.db2.gz ZUYPNPYEHAQDFI-QMTHXVAHSA-N 1 0 305.324 3.763 20 10 DHCDRO Cc1cccnc1C1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000368259630 336841246 /nfs/dbraw/zinc/84/12/46/336841246.db2.gz KVHHFCHWTZHZID-ZDUSSCGKSA-N 1 0 300.377 3.617 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(Cl)nc1 ZINC000368730195 336851491 /nfs/dbraw/zinc/85/14/91/336851491.db2.gz OXKILIWROCVUEO-LBPRGKRZSA-N 1 0 301.821 3.578 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000370553191 336887475 /nfs/dbraw/zinc/88/74/75/336887475.db2.gz CAHPKHOCRZUOSA-DOTOQJQBSA-N 1 0 324.424 3.867 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000371326367 336900587 /nfs/dbraw/zinc/90/05/87/336900587.db2.gz IMRGKOASSNSPGK-UHFFFAOYSA-N 1 0 309.409 3.722 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccccc1O ZINC000373461059 336961199 /nfs/dbraw/zinc/96/11/99/336961199.db2.gz UFJOVAUYZZABLF-HOTGVXAUSA-N 1 0 313.397 3.965 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000374496021 336990570 /nfs/dbraw/zinc/99/05/70/336990570.db2.gz KPGFYZWKIDENPQ-ICSRJNTNSA-N 1 0 310.441 3.620 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(c3ncc(C)s3)CC2)c1 ZINC000375413251 337010779 /nfs/dbraw/zinc/01/07/79/337010779.db2.gz GCDLPHIAUHZBFE-UHFFFAOYSA-N 1 0 318.442 3.545 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3cscc3C)CC2)cc1 ZINC000376098767 337026979 /nfs/dbraw/zinc/02/69/79/337026979.db2.gz WNQNHYLGLXVTLH-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305750355 337035607 /nfs/dbraw/zinc/03/56/07/337035607.db2.gz ZHUKPQQIOQOBHJ-FUHWJXTLSA-N 1 0 315.413 3.854 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563428 337036931 /nfs/dbraw/zinc/03/69/31/337036931.db2.gz TXIHYYSBJCCKDL-HUUCEWRRSA-N 1 0 307.397 3.990 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c(O)c1C ZINC000376896724 337043429 /nfs/dbraw/zinc/04/34/29/337043429.db2.gz OZFGDCHRZDKPPU-PBHICJAKSA-N 1 0 324.424 3.786 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000377348175 337050929 /nfs/dbraw/zinc/05/09/29/337050929.db2.gz WJFZXPBRMUBLRG-HOCLYGCPSA-N 1 0 313.445 3.686 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccccc1O ZINC000378617003 337076871 /nfs/dbraw/zinc/07/68/71/337076871.db2.gz AESTWOZWRSQHMS-AWEZNQCLSA-N 1 0 307.397 3.644 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1O ZINC000378624642 337076950 /nfs/dbraw/zinc/07/69/50/337076950.db2.gz NVAYZPFANFXEBF-OCCSQVGLSA-N 1 0 318.367 3.600 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000180392173 337174101 /nfs/dbraw/zinc/17/41/01/337174101.db2.gz MPTIFMWBJNXCJN-RDTXWAMCSA-N 1 0 323.440 3.529 20 10 DHCDRO COc1cc(Cl)cc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000184685558 337199854 /nfs/dbraw/zinc/19/98/54/337199854.db2.gz AJGVPADTXXYBRB-CYBMUJFWSA-N 1 0 321.808 3.505 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1C ZINC000184807812 337200346 /nfs/dbraw/zinc/20/03/46/337200346.db2.gz JLHWZUMLTSVZHE-HXUWFJFHSA-N 1 0 309.409 3.640 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684532 337250141 /nfs/dbraw/zinc/25/01/41/337250141.db2.gz JMLZGGXNUALAHV-DZGCQCFKSA-N 1 0 314.433 3.601 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186442304 337256139 /nfs/dbraw/zinc/25/61/39/337256139.db2.gz YYTVNGZFEUVKNQ-SFHVURJKSA-N 1 0 315.800 3.677 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189380264 337279007 /nfs/dbraw/zinc/27/90/07/337279007.db2.gz KTMLZRWFHAABMU-SUMWQHHRSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000475196389 339440945 /nfs/dbraw/zinc/44/09/45/339440945.db2.gz JNUKMUFDMFUZEK-UHFFFAOYSA-N 1 0 300.446 3.922 20 10 DHCDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000160050110 519779819 /nfs/dbraw/zinc/77/98/19/519779819.db2.gz VTMPDGCUXXTZLG-HNNXBMFYSA-N 1 0 313.445 3.786 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000268899524 520284563 /nfs/dbraw/zinc/28/45/63/520284563.db2.gz LWVNIEZPAVMXPV-MRXNPFEDSA-N 1 0 322.456 3.950 20 10 DHCDRO CC[N@H+](Cc1ccc(COC)o1)Cc1ccc(N(C)C)cc1 ZINC000156836991 521307662 /nfs/dbraw/zinc/30/76/62/521307662.db2.gz GMSOPZPRMFKPRU-UHFFFAOYSA-N 1 0 302.418 3.514 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC000270623964 522212565 /nfs/dbraw/zinc/21/25/65/522212565.db2.gz GDQZLTIEKIUFOM-WMLDXEAASA-N 1 0 308.441 3.575 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000127080836 522628877 /nfs/dbraw/zinc/62/88/77/522628877.db2.gz HLUOVHOPCGSMTM-RDJZCZTQSA-N 1 0 323.795 3.959 20 10 DHCDRO COc1cc(O)c(C[N@H+](Cc2cccs2)C2CC2)cc1OC ZINC000158851147 522774159 /nfs/dbraw/zinc/77/41/59/522774159.db2.gz JGKCIDPIWIZVNN-UHFFFAOYSA-N 1 0 319.426 3.636 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000155100422 522856414 /nfs/dbraw/zinc/85/64/14/522856414.db2.gz BOMQBHZMYOMHNH-QFBILLFUSA-N 1 0 310.441 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)c1cnn(C)c1 ZINC000158695362 522877333 /nfs/dbraw/zinc/87/73/33/522877333.db2.gz KVNXLSMEELWBRA-QGZVFWFLSA-N 1 0 318.440 3.646 20 10 DHCDRO COCCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187012449 523178041 /nfs/dbraw/zinc/17/80/41/523178041.db2.gz LRVZIDURTUXIOT-LLVKDONJSA-N 1 0 316.239 3.540 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000158135654 524403453 /nfs/dbraw/zinc/40/34/53/524403453.db2.gz RTYKGDPXHUFMOR-OAHLLOKOSA-N 1 0 314.429 3.916 20 10 DHCDRO Cc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1O ZINC000182207197 524430114 /nfs/dbraw/zinc/43/01/14/524430114.db2.gz DDQBDNBIRBVLDS-UHFFFAOYSA-N 1 0 315.388 3.635 20 10 DHCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151923449 524509649 /nfs/dbraw/zinc/50/96/49/524509649.db2.gz KDZORORLZKDQHE-IRXDYDNUSA-N 1 0 304.478 3.736 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000180154072 524732609 /nfs/dbraw/zinc/73/26/09/524732609.db2.gz GMQJVKVEWLFQHT-NSHDSACASA-N 1 0 306.431 3.667 20 10 DHCDRO COc1ccc(O)c([C@@H](C)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000186477404 524767202 /nfs/dbraw/zinc/76/72/02/524767202.db2.gz PVQFQPWMAUHQQJ-CQSZACIVSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000186093477 524770784 /nfs/dbraw/zinc/77/07/84/524770784.db2.gz FMEQZSFCRRYQGP-SUNYJGFJSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000182413667 524771886 /nfs/dbraw/zinc/77/18/86/524771886.db2.gz NCOMESDWYUPSHN-JTQLQIEISA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000186129276 524774938 /nfs/dbraw/zinc/77/49/38/524774938.db2.gz HRANTTVWOGNSJJ-KBPBESRZSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000182623786 524873592 /nfs/dbraw/zinc/87/35/92/524873592.db2.gz ALFSMMSHQZSQHK-HNNXBMFYSA-N 1 0 309.837 3.935 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000184857684 525383730 /nfs/dbraw/zinc/38/37/30/525383730.db2.gz BFEKAKSZIMVXLN-FZMZJTMJSA-N 1 0 308.809 3.592 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000161496829 525402768 /nfs/dbraw/zinc/40/27/68/525402768.db2.gz YIYHWTIOPYNGTE-QGZVFWFLSA-N 1 0 315.505 3.812 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000268887045 525526466 /nfs/dbraw/zinc/52/64/66/525526466.db2.gz LSKCTJBSXQPALU-BQFCYCMXSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000129475991 525553504 /nfs/dbraw/zinc/55/35/04/525553504.db2.gz VUCAOEPNLKKJMV-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000268819472 525601658 /nfs/dbraw/zinc/60/16/58/525601658.db2.gz NJHRYXJVLYFOTO-DLBZAZTESA-N 1 0 312.461 3.613 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365664661 526346161 /nfs/dbraw/zinc/34/61/61/526346161.db2.gz WJJFBCCQXBZUJX-HOTGVXAUSA-N 1 0 307.821 3.579 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000264987433 526365466 /nfs/dbraw/zinc/36/54/66/526365466.db2.gz WGDDETWOYRQMRJ-AWEZNQCLSA-N 1 0 307.752 3.798 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccccc1O ZINC000287616538 535919399 /nfs/dbraw/zinc/91/93/99/535919399.db2.gz SSLNPCYFOIXKNN-INIZCTEOSA-N 1 0 314.385 3.811 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1O ZINC000274787299 535942290 /nfs/dbraw/zinc/94/22/90/535942290.db2.gz QPJAMTBZEWWTSL-BUTRMIIQSA-N 1 0 317.454 3.932 20 10 DHCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000897298536 1017342615 /nfs/dbraw/zinc/34/26/15/1017342615.db2.gz ATLBEZHAXAILCB-CQSZACIVSA-N 1 0 302.443 3.530 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(Cl)c1 ZINC001203200585 1013354647 /nfs/dbraw/zinc/35/46/47/1013354647.db2.gz QQMOCRNQFGARQA-MORSLUCNSA-N 1 0 317.791 3.921 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(Cl)c1 ZINC001203200583 1013355838 /nfs/dbraw/zinc/35/58/38/1013355838.db2.gz QQMOCRNQFGARQA-JEBQAFNWSA-N 1 0 317.791 3.921 20 10 DHCDRO Cc1nccn1Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766452 1013368982 /nfs/dbraw/zinc/36/89/82/1013368982.db2.gz PTZSKDZQIJIHPP-UHFFFAOYSA-N 1 0 320.396 3.788 20 10 DHCDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894461200 1013377639 /nfs/dbraw/zinc/37/76/39/1013377639.db2.gz CYURPFHMYNVYSC-MEDUHNTESA-N 1 0 304.340 3.649 20 10 DHCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000925092289 1013613690 /nfs/dbraw/zinc/61/36/90/1013613690.db2.gz BBJKQCLJLCZCMO-ZIAGYGMSSA-N 1 0 314.520 3.546 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)cc1C ZINC000160435572 1014067995 /nfs/dbraw/zinc/06/79/95/1014067995.db2.gz ACXBKGLLHLOUJW-QGZVFWFLSA-N 1 0 312.413 3.750 20 10 DHCDRO COc1ccc(F)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980634 1014318630 /nfs/dbraw/zinc/31/86/30/1014318630.db2.gz CKPCGUXALOFBHZ-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000280824781 1014365071 /nfs/dbraw/zinc/36/50/71/1014365071.db2.gz IYWOICJCJYIYAD-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000280824788 1014365681 /nfs/dbraw/zinc/36/56/81/1014365681.db2.gz IYWOICJCJYIYAD-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO COCCOCCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000322392641 1032093162 /nfs/dbraw/zinc/09/31/62/1032093162.db2.gz MUSIKKUNBSGGIF-OAHLLOKOSA-N 1 0 317.429 3.639 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Cl)ccc2O)c1OC ZINC000895137493 1014558206 /nfs/dbraw/zinc/55/82/06/1014558206.db2.gz WCFWYAYVAVLXNW-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895156525 1014663398 /nfs/dbraw/zinc/66/33/98/1014663398.db2.gz XURXFGIBSFLVMY-UHFFFAOYSA-N 1 0 303.789 3.660 20 10 DHCDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000783518217 1015048394 /nfs/dbraw/zinc/04/83/94/1015048394.db2.gz KYFHVVHABBAUHX-CQSZACIVSA-N 1 0 314.385 3.974 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705482 1015265457 /nfs/dbraw/zinc/26/54/57/1015265457.db2.gz CJSYKPQDRACCQT-IBGZPJMESA-N 1 0 321.424 3.682 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)c(O)c1OC ZINC000891477200 1015311372 /nfs/dbraw/zinc/31/13/72/1015311372.db2.gz CWWQUQJZAKSKAA-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c(O)c1OC ZINC000891498658 1015329284 /nfs/dbraw/zinc/32/92/84/1015329284.db2.gz KRSRJIVLVMAHRL-ZDUSSCGKSA-N 1 0 319.426 3.808 20 10 DHCDRO Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140461939 1015441816 /nfs/dbraw/zinc/44/18/16/1015441816.db2.gz ZIWJLJFIXLGZDI-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccs2)c(O)c1OC ZINC000891639906 1015477295 /nfs/dbraw/zinc/47/72/95/1015477295.db2.gz JUWDOXGNVDCOBC-LLVKDONJSA-N 1 0 307.415 3.664 20 10 DHCDRO CCc1cccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896808447 1015753563 /nfs/dbraw/zinc/75/35/63/1015753563.db2.gz FEEHNXNEPISRPQ-ZIAGYGMSSA-N 1 0 317.351 3.544 20 10 DHCDRO COc1ccc(C[NH+]2CCC3(CCCC3)CC2)c(O)c1OC ZINC000891931013 1015765391 /nfs/dbraw/zinc/76/53/91/1015765391.db2.gz GQTCIENMAUAGJH-UHFFFAOYSA-N 1 0 305.418 3.566 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000281147259 1015835549 /nfs/dbraw/zinc/83/55/49/1015835549.db2.gz OULOKPHMFPCCGY-LSDHHAIUSA-N 1 0 324.415 3.609 20 10 DHCDRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000277174765 1016008226 /nfs/dbraw/zinc/00/82/26/1016008226.db2.gz SIDNIWKWVXYXTI-LLVKDONJSA-N 1 0 320.177 3.993 20 10 DHCDRO CCn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)n1 ZINC000892013252 1016108375 /nfs/dbraw/zinc/10/83/75/1016108375.db2.gz UJLXXNVFTBXNET-UHFFFAOYSA-N 1 0 313.445 3.862 20 10 DHCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000399575830 1016167877 /nfs/dbraw/zinc/16/78/77/1016167877.db2.gz HWNRMLLLBUYZHS-QJPTWQEYSA-N 1 0 312.251 3.939 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1O ZINC000185080219 1016547553 /nfs/dbraw/zinc/54/75/53/1016547553.db2.gz BHTSYWYWUNHAEX-SJKOYZFVSA-N 1 0 320.383 3.624 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)cc1F ZINC000185333105 1016862653 /nfs/dbraw/zinc/86/26/53/1016862653.db2.gz DBAUUJKEXUGVGJ-CYBMUJFWSA-N 1 0 303.377 3.742 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCS1 ZINC000896953181 1016957649 /nfs/dbraw/zinc/95/76/49/1016957649.db2.gz WBZMNMLUCQYUQW-CABZTGNLSA-N 1 0 316.264 3.528 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000072924089 1016998245 /nfs/dbraw/zinc/99/82/45/1016998245.db2.gz MSCCZZDMVWGRDO-UHFFFAOYSA-N 1 0 322.449 3.565 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)c1 ZINC000185566663 1017014959 /nfs/dbraw/zinc/01/49/59/1017014959.db2.gz NURZQKQGXVFRGW-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185574536 1017025277 /nfs/dbraw/zinc/02/52/77/1017025277.db2.gz BRVVUOCVTYMBIN-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000320556975 1017054043 /nfs/dbraw/zinc/05/40/43/1017054043.db2.gz KOXSSOOGNNGJFF-LJQANCHMSA-N 1 0 302.462 3.582 20 10 DHCDRO COCc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840874611 1017241298 /nfs/dbraw/zinc/24/12/98/1017241298.db2.gz HUGOTAPZMAZRCQ-UHFFFAOYSA-N 1 0 305.805 3.790 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c(O)c1 ZINC000185647405 1017079414 /nfs/dbraw/zinc/07/94/14/1017079414.db2.gz HIQPMBYTIWOYQJ-OAHLLOKOSA-N 1 0 316.420 3.622 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000323001186 1032264332 /nfs/dbraw/zinc/26/43/32/1032264332.db2.gz KTWOAOWKWSDKBF-GOSISDBHSA-N 1 0 316.420 3.704 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1O ZINC001171345634 1032507269 /nfs/dbraw/zinc/50/72/69/1032507269.db2.gz LSOMURQLJQKYOT-SMDDNHRTSA-N 1 0 303.352 3.879 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000773007452 1032522227 /nfs/dbraw/zinc/52/22/27/1032522227.db2.gz GHLNPWCUKQSPFB-KUHUBIRLSA-N 1 0 316.420 3.666 20 10 DHCDRO CCCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000773061279 1032543634 /nfs/dbraw/zinc/54/36/34/1032543634.db2.gz VEJNWUDZPMAAKZ-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO CCOCc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921504204 1017321531 /nfs/dbraw/zinc/32/15/31/1017321531.db2.gz WGTQMDQPHWFZED-UHFFFAOYSA-N 1 0 311.425 3.838 20 10 DHCDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773086077 1032555283 /nfs/dbraw/zinc/55/52/83/1032555283.db2.gz YCKALHCPDXYLRK-QFBILLFUSA-N 1 0 303.494 3.666 20 10 DHCDRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000773104891 1032559367 /nfs/dbraw/zinc/55/93/67/1032559367.db2.gz GQNAMBKCOUDSBG-ZRZPHAQCSA-N 1 0 314.473 3.754 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000773105611 1032560253 /nfs/dbraw/zinc/56/02/53/1032560253.db2.gz WPESLRUYEIKNFE-SZVBFZGTSA-N 1 0 302.462 3.631 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108376 1032562312 /nfs/dbraw/zinc/56/23/12/1032562312.db2.gz XAACTEMVYBGURO-IIBYNOLFSA-N 1 0 323.484 3.980 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160149066 1011900271 /nfs/dbraw/zinc/90/02/71/1011900271.db2.gz OSXDTRSWQJQKGA-LSDHHAIUSA-N 1 0 300.402 3.528 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160148789 1011900589 /nfs/dbraw/zinc/90/05/89/1011900589.db2.gz OSXDTRSWQJQKGA-GJZGRUSLSA-N 1 0 300.402 3.528 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)c1O ZINC000036994406 1012761011 /nfs/dbraw/zinc/76/10/11/1012761011.db2.gz IRUOACQKWIJFHY-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000894332281 1012831479 /nfs/dbraw/zinc/83/14/79/1012831479.db2.gz MVCIXXIVOPNTIP-MRXNPFEDSA-N 1 0 319.445 3.681 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@@H](C)C(C)(C)C)CC2)cc1F ZINC001168069032 1017389609 /nfs/dbraw/zinc/38/96/09/1017389609.db2.gz QMIWNUSSYPDNBJ-CQSZACIVSA-N 1 0 308.441 3.639 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@H]3CCCC[C@@H]3C)CC2)cc1F ZINC001168069450 1017394110 /nfs/dbraw/zinc/39/41/10/1017394110.db2.gz WVNMUAGKKYUFBF-JKSUJKDBSA-N 1 0 320.452 3.783 20 10 DHCDRO Cc1ccc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cn1 ZINC000783602779 1017516441 /nfs/dbraw/zinc/51/64/41/1017516441.db2.gz MEPWERGFAHZZOY-UHFFFAOYSA-N 1 0 309.457 3.836 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000840943384 1017526451 /nfs/dbraw/zinc/52/64/51/1017526451.db2.gz PPZJRFNPTRGYEG-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1F ZINC000840969146 1017688188 /nfs/dbraw/zinc/68/81/88/1017688188.db2.gz YMGQARWQDPEOPE-YPMHNXCESA-N 1 0 300.368 3.805 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858016634 1032746774 /nfs/dbraw/zinc/74/67/74/1032746774.db2.gz NVSLNORWMCOFBJ-SFHVURJKSA-N 1 0 324.424 3.626 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263687312 1032753773 /nfs/dbraw/zinc/75/37/73/1032753773.db2.gz OBKWEOIFZSNPKE-UHFFFAOYSA-N 1 0 321.424 3.813 20 10 DHCDRO CC(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764513724 1018303460 /nfs/dbraw/zinc/30/34/60/1018303460.db2.gz NAXOCPPXRDAXIQ-CQSZACIVSA-N 1 0 310.869 3.873 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766120371 1018416790 /nfs/dbraw/zinc/41/67/90/1018416790.db2.gz RSXWVIWYJJPCMD-NSHDSACASA-N 1 0 310.319 3.715 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000764883098 1018417028 /nfs/dbraw/zinc/41/70/28/1018417028.db2.gz PPWLHRBAELFWGI-SJORKVTESA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765090444 1018467568 /nfs/dbraw/zinc/46/75/68/1018467568.db2.gz SNVIDTFBFQNXDV-AEFFLSMTSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000858108295 1032768855 /nfs/dbraw/zinc/76/88/55/1032768855.db2.gz BMWSCBNBSXJRCJ-IPZZXCBHSA-N 1 0 314.473 3.608 20 10 DHCDRO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000161838814 1018638800 /nfs/dbraw/zinc/63/88/00/1018638800.db2.gz JHAKOJBERYAVFH-VMPITWQZSA-N 1 0 322.452 3.668 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000278477318 1018729127 /nfs/dbraw/zinc/72/91/27/1018729127.db2.gz OLINLMZVMANTQI-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765333203 1018759450 /nfs/dbraw/zinc/75/94/50/1018759450.db2.gz KJXYQBMBTZUMKR-HOTGVXAUSA-N 1 0 310.441 3.655 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765423947 1018781753 /nfs/dbraw/zinc/78/17/53/1018781753.db2.gz KIKZRBIUUJRMNN-SWLSCSKDSA-N 1 0 318.383 3.761 20 10 DHCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000765443397 1018788666 /nfs/dbraw/zinc/78/86/66/1018788666.db2.gz FOFUCJNSDUIPNT-HOTGVXAUSA-N 1 0 304.478 3.969 20 10 DHCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765438344 1018788758 /nfs/dbraw/zinc/78/87/58/1018788758.db2.gz IBNVFHMHEYXEJX-SJORKVTESA-N 1 0 324.472 3.749 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000765447410 1018789787 /nfs/dbraw/zinc/78/97/87/1018789787.db2.gz BZPAXAFFKJYTAL-CQSZACIVSA-N 1 0 301.459 3.984 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4ccc(F)cc43)ccc21 ZINC000765478241 1018801600 /nfs/dbraw/zinc/80/16/00/1018801600.db2.gz CQEFGNVDUNUZEL-IBGZPJMESA-N 1 0 310.416 3.985 20 10 DHCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765473828 1018805374 /nfs/dbraw/zinc/80/53/74/1018805374.db2.gz JRQWUQFVTRIIMC-QFBILLFUSA-N 1 0 304.478 3.735 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCC2(F)F)cc1F ZINC000858173314 1032790056 /nfs/dbraw/zinc/79/00/56/1032790056.db2.gz ZWMKENKNEGJGMM-LLVKDONJSA-N 1 0 304.331 3.556 20 10 DHCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000133538813 1018923365 /nfs/dbraw/zinc/92/33/65/1018923365.db2.gz FNMRYNWCSNJAKX-QGZVFWFLSA-N 1 0 309.457 3.965 20 10 DHCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134922657 1019051488 /nfs/dbraw/zinc/05/14/88/1019051488.db2.gz JZYZATZCLVUPSN-RKDXNWHRSA-N 1 0 304.253 3.557 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766160757 1019036680 /nfs/dbraw/zinc/03/66/80/1019036680.db2.gz COSNNSPHCQBEJS-VQIMIIECSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765682164 1019042890 /nfs/dbraw/zinc/04/28/90/1019042890.db2.gz KWTBBCWJZTWYSH-RTBURBONSA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765682149 1019043824 /nfs/dbraw/zinc/04/38/24/1019043824.db2.gz KWTBBCWJZTWYSH-MOPGFXCFSA-N 1 0 304.478 3.735 20 10 DHCDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134937601 1019051613 /nfs/dbraw/zinc/05/16/13/1019051613.db2.gz RMUCXVHSBKEZAA-RKDXNWHRSA-N 1 0 304.253 3.557 20 10 DHCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134937285 1019053198 /nfs/dbraw/zinc/05/31/98/1019053198.db2.gz SSEHJMSMWCPMPV-IUCAKERBSA-N 1 0 304.253 3.557 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)c1 ZINC000186160204 1019105041 /nfs/dbraw/zinc/10/50/41/1019105041.db2.gz GSGCYGCVJRJJRS-NFOMZHRRSA-N 1 0 307.434 3.788 20 10 DHCDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765955481 1019115841 /nfs/dbraw/zinc/11/58/41/1019115841.db2.gz WFKQBQPJUVWXHY-HNAYVOBHSA-N 1 0 322.468 3.874 20 10 DHCDRO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922036756 1019352373 /nfs/dbraw/zinc/35/23/73/1019352373.db2.gz SYABRFYTWJNYRJ-QGZVFWFLSA-N 1 0 313.372 3.764 20 10 DHCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186508453 1019365864 /nfs/dbraw/zinc/36/58/64/1019365864.db2.gz YHOOZQBFUXOHNP-GILVVUIESA-N 1 0 320.452 3.794 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@]1(C)O ZINC001143103495 1019369874 /nfs/dbraw/zinc/36/98/74/1019369874.db2.gz DRXWZSIACMJQAK-KUHUBIRLSA-N 1 0 305.462 3.673 20 10 DHCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281992 1032829220 /nfs/dbraw/zinc/82/92/20/1032829220.db2.gz CEZMZUFBAKRMJY-OLMMMNRUSA-N 1 0 302.462 3.578 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000766185591 1019426558 /nfs/dbraw/zinc/42/65/58/1019426558.db2.gz FBHKAYPLTDLMDV-JEDBISTDSA-N 1 0 316.489 3.997 20 10 DHCDRO CCCC[N@H+](Cc1ccnn1CCC)Cc1ccccc1O ZINC000825788449 1032833837 /nfs/dbraw/zinc/83/38/37/1032833837.db2.gz HHSONZSRYPAVOB-UHFFFAOYSA-N 1 0 301.434 3.801 20 10 DHCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922128429 1019491006 /nfs/dbraw/zinc/49/10/06/1019491006.db2.gz XPXIYLRDFFFJQL-UHFFFAOYSA-N 1 0 300.402 3.641 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4cc(F)ccc43)ccc21 ZINC000727645116 1019745833 /nfs/dbraw/zinc/74/58/33/1019745833.db2.gz PWJVUTKRSJNGDC-LJQANCHMSA-N 1 0 310.416 3.985 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cc4ccccc4[nH]3)ccc21 ZINC000727644985 1019747003 /nfs/dbraw/zinc/74/70/03/1019747003.db2.gz TVMBBKJKTNWNFJ-UHFFFAOYSA-N 1 0 305.425 3.840 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000766188691 1019755253 /nfs/dbraw/zinc/75/52/53/1019755253.db2.gz TUQGVCCHUCVUAE-OKYOBFRVSA-N 1 0 316.489 3.997 20 10 DHCDRO c1cnc2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccc2c1 ZINC000922301480 1019979470 /nfs/dbraw/zinc/97/94/70/1019979470.db2.gz CLJQIRNMCFYZQB-UHFFFAOYSA-N 1 0 304.393 3.850 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001203556517 1020093915 /nfs/dbraw/zinc/09/39/15/1020093915.db2.gz RGLXYRDXKJNSBX-MRXNPFEDSA-N 1 0 303.402 3.821 20 10 DHCDRO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765991206 1020102303 /nfs/dbraw/zinc/10/23/03/1020102303.db2.gz BMOAHDFFZHDISP-CJNGLKHVSA-N 1 0 310.869 3.644 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264229838 1032881369 /nfs/dbraw/zinc/88/13/69/1032881369.db2.gz AIBDQCTYHNADKL-AWEZNQCLSA-N 1 0 321.424 3.952 20 10 DHCDRO Cc1cc(C[NH2+]CC2(O)CCCC2)c(C)n1-c1cccc(C)c1 ZINC000732229213 1020213945 /nfs/dbraw/zinc/21/39/45/1020213945.db2.gz IQCJKERMZOIZAH-UHFFFAOYSA-N 1 0 312.457 3.797 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1C ZINC000922695262 1020223230 /nfs/dbraw/zinc/22/32/30/1020223230.db2.gz MVCVGVRIGSVDIX-HIFRSBDPSA-N 1 0 317.351 3.599 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCc3sccc3[C@H]2C)c1O ZINC000732526599 1020248533 /nfs/dbraw/zinc/24/85/33/1020248533.db2.gz MTUSUEALYLKKMT-GFCCVEGCSA-N 1 0 303.427 3.890 20 10 DHCDRO CC(C)OCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186639632 1020364287 /nfs/dbraw/zinc/36/42/87/1020364287.db2.gz PTWBDACQMNAERO-OAHLLOKOSA-N 1 0 308.441 3.892 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1F ZINC000733323179 1020368378 /nfs/dbraw/zinc/36/83/78/1020368378.db2.gz MTOURQKKOKZYQG-UHFFFAOYSA-N 1 0 306.812 3.877 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733331120 1020376013 /nfs/dbraw/zinc/37/60/13/1020376013.db2.gz BVEQEBDUCZAVML-UHFFFAOYSA-N 1 0 311.410 3.509 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922891300 1020403794 /nfs/dbraw/zinc/40/37/94/1020403794.db2.gz HNXPPUHSWKFKJF-AZUAARDMSA-N 1 0 314.473 3.582 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000179583986 1020412681 /nfs/dbraw/zinc/41/26/81/1020412681.db2.gz YRUJUUFZIKOGOB-IBGZPJMESA-N 1 0 311.425 3.616 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000282567555 1020459536 /nfs/dbraw/zinc/45/95/36/1020459536.db2.gz YQEODEMKHNVKMQ-ZWKOTPCHSA-N 1 0 312.461 3.604 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000766029611 1020489974 /nfs/dbraw/zinc/48/99/74/1020489974.db2.gz OSNMLENEYOALMY-HNNXBMFYSA-N 1 0 310.441 3.847 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000282693180 1020497572 /nfs/dbraw/zinc/49/75/72/1020497572.db2.gz LKGTUQDZJMKZCL-KRWDZBQOSA-N 1 0 318.848 3.747 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000529636398 1020504726 /nfs/dbraw/zinc/50/47/26/1020504726.db2.gz AMLVTEXSDCWCKX-UHFFFAOYSA-N 1 0 315.388 3.883 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042290 1020552589 /nfs/dbraw/zinc/55/25/89/1020552589.db2.gz GOCFPQQRNDRDCC-AZUAARDMSA-N 1 0 324.472 3.969 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000766213585 1020717906 /nfs/dbraw/zinc/71/79/06/1020717906.db2.gz HAAJOSOSEFPALV-YOEHRIQHSA-N 1 0 320.452 3.577 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccccc1O ZINC000858496827 1032924849 /nfs/dbraw/zinc/92/48/49/1032924849.db2.gz VNMFVRIGUULLPV-GOSISDBHSA-N 1 0 312.413 3.616 20 10 DHCDRO CC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C[C@H]1CCOC1 ZINC000738079880 1020857283 /nfs/dbraw/zinc/85/72/83/1020857283.db2.gz DPPBFFKPXCNYRK-OAHLLOKOSA-N 1 0 305.462 3.857 20 10 DHCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000738144613 1020861815 /nfs/dbraw/zinc/86/18/15/1020861815.db2.gz QTYZIILOZKQQSJ-OAHLLOKOSA-N 1 0 324.424 3.818 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C(C)(C)O1 ZINC000177975501 1020877505 /nfs/dbraw/zinc/87/75/05/1020877505.db2.gz ZTTNSGPSANLXNS-QGZVFWFLSA-N 1 0 302.462 3.723 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850535779 1021071894 /nfs/dbraw/zinc/07/18/94/1021071894.db2.gz BIXGBPMSXIFOFW-UFBFGSQYSA-N 1 0 320.177 3.851 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000742163236 1021092161 /nfs/dbraw/zinc/09/21/61/1021092161.db2.gz RUQMACYUAZDNHJ-FQEVSTJZSA-N 1 0 311.425 3.891 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(-n2nc(C[NH3+])c3ccccc32)cc1 ZINC001167697484 1021110187 /nfs/dbraw/zinc/11/01/87/1021110187.db2.gz BJBXHEARQZSXRB-UHFFFAOYSA-N 1 0 316.408 3.892 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000742376795 1021115424 /nfs/dbraw/zinc/11/54/24/1021115424.db2.gz HOVJLLUXFMOMKR-GUDVDZBRSA-N 1 0 316.489 3.826 20 10 DHCDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000742378799 1021115532 /nfs/dbraw/zinc/11/55/32/1021115532.db2.gz BHETYGGUDVACAM-CYBMUJFWSA-N 1 0 305.805 3.911 20 10 DHCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000858591154 1032956899 /nfs/dbraw/zinc/95/68/99/1032956899.db2.gz MUQJIQJXXNHHNJ-INMHGKMJSA-N 1 0 320.452 3.892 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cnc(C)nc2)c(C)n1-c1ccccc1 ZINC000917139271 1021196561 /nfs/dbraw/zinc/19/65/61/1021196561.db2.gz RDBNYXBXKBRKMP-UHFFFAOYSA-N 1 0 320.440 3.525 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1-n1cccn1 ZINC001137100852 1032966514 /nfs/dbraw/zinc/96/65/14/1032966514.db2.gz PTWYSUZTDCHVAM-UHFFFAOYSA-N 1 0 307.397 3.600 20 10 DHCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCCSCC1)CCCC3 ZINC000917462010 1021267873 /nfs/dbraw/zinc/26/78/73/1021267873.db2.gz GQGQOFVVVIWIBF-UHFFFAOYSA-N 1 0 317.454 3.956 20 10 DHCDRO Cc1cc(C[N@H+](C)CC2CCOCC2)c(C)n1-c1ccccc1 ZINC001137854016 1021282416 /nfs/dbraw/zinc/28/24/16/1021282416.db2.gz FACMOJXYUMRGTK-UHFFFAOYSA-N 1 0 312.457 3.953 20 10 DHCDRO COc1ccc2ccc(O)c(C[NH+]3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC000743377548 1021283374 /nfs/dbraw/zinc/28/33/74/1021283374.db2.gz PSGHADVZFIUKBH-STQMWFEESA-N 1 0 317.454 3.880 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743400155 1021283894 /nfs/dbraw/zinc/28/38/94/1021283894.db2.gz JDLJPJHOWFHULN-CQSZACIVSA-N 1 0 309.475 3.723 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)CO1 ZINC000743409062 1021290891 /nfs/dbraw/zinc/29/08/91/1021290891.db2.gz QYTFQLHUZICXEW-YWZLYKJASA-N 1 0 323.436 3.843 20 10 DHCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000743499705 1021307238 /nfs/dbraw/zinc/30/72/38/1021307238.db2.gz PCQNLISAUOKHLG-AEFFLSMTSA-N 1 0 304.478 3.564 20 10 DHCDRO CN(C)c1ccc(CNCc2ccc(F)c(F)c2F)cc1F ZINC000850099061 1021421122 /nfs/dbraw/zinc/42/11/22/1021421122.db2.gz DVRITSUEUGHPPZ-UHFFFAOYSA-N 1 0 312.310 3.599 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cc4ccncc4s3)ccc21 ZINC000850099500 1021421191 /nfs/dbraw/zinc/42/11/91/1021421191.db2.gz MSVYPFKXEVHMMC-UHFFFAOYSA-N 1 0 323.465 3.969 20 10 DHCDRO Fc1ccc(C[NH2+]CCCSc2nccs2)c(F)c1F ZINC000850147262 1021427606 /nfs/dbraw/zinc/42/76/06/1021427606.db2.gz UZPSSCCMIZLXJV-UHFFFAOYSA-N 1 0 318.389 3.832 20 10 DHCDRO COc1cc(C[NH2+]CCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850169205 1021430747 /nfs/dbraw/zinc/43/07/47/1021430747.db2.gz LLRAJINBMZPLFW-UHFFFAOYSA-N 1 0 305.340 3.740 20 10 DHCDRO COCCC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCC1 ZINC000850281001 1021463851 /nfs/dbraw/zinc/46/38/51/1021463851.db2.gz BJZFAKZNGMKVTQ-UHFFFAOYSA-N 1 0 321.461 3.747 20 10 DHCDRO COc1cc(C[NH2+]Cc2occc2C)c(O)c(C(C)(C)C)c1 ZINC000850308415 1021470054 /nfs/dbraw/zinc/47/00/54/1021470054.db2.gz ZKIFYHDMYMWFQZ-UHFFFAOYSA-N 1 0 303.402 3.890 20 10 DHCDRO COc1cc(C[NH2+]C[C@@](C)(OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850305930 1021470389 /nfs/dbraw/zinc/47/03/89/1021470389.db2.gz MGRXWRLHMZCORY-LJQANCHMSA-N 1 0 321.461 3.603 20 10 DHCDRO CCc1ncc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000850318440 1021472297 /nfs/dbraw/zinc/47/22/97/1021472297.db2.gz SYTJWHLWZGWZQJ-UHFFFAOYSA-N 1 0 318.417 3.539 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2C)c1O ZINC000850350215 1021483748 /nfs/dbraw/zinc/48/37/48/1021483748.db2.gz QJCGWRJEOJPITI-CYBMUJFWSA-N 1 0 303.377 3.569 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368337 1021489826 /nfs/dbraw/zinc/48/98/26/1021489826.db2.gz BUGUSFJORTYQEI-PMACEKPBSA-N 1 0 310.441 3.801 20 10 DHCDRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000850386819 1021503376 /nfs/dbraw/zinc/50/33/76/1021503376.db2.gz SPYPBAWAROTXPY-LPHOPBHVSA-N 1 0 308.425 3.518 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1O ZINC000850387833 1021505778 /nfs/dbraw/zinc/50/57/78/1021505778.db2.gz ANNNNCIQLUNGBP-HOTGVXAUSA-N 1 0 319.445 3.617 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394746 1021507937 /nfs/dbraw/zinc/50/79/37/1021507937.db2.gz BQVLHJMBHZWGKK-WOJBJXKFSA-N 1 0 313.441 3.851 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3(CC(C)C)CC3)CC2)cc1 ZINC000850404616 1021513116 /nfs/dbraw/zinc/51/31/16/1021513116.db2.gz PUWYSXILXFNDHD-UHFFFAOYSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406067 1021513547 /nfs/dbraw/zinc/51/35/47/1021513547.db2.gz QACAWQDAUQGYNU-WMZOPIPTSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(F)F)nc1 ZINC000850422246 1021524493 /nfs/dbraw/zinc/52/44/93/1021524493.db2.gz KDSQIUGPOZNXII-LBPRGKRZSA-N 1 0 305.372 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000850486153 1021558224 /nfs/dbraw/zinc/55/82/24/1021558224.db2.gz GWJOWDKKGPFLCW-YJBOKZPZSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccsc3)C2)cc1 ZINC000850486261 1021558845 /nfs/dbraw/zinc/55/88/45/1021558845.db2.gz BLKQRXRONLGOLM-GDBMZVCRSA-N 1 0 316.470 3.556 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccsc3)C2)cc1 ZINC000850486639 1021559521 /nfs/dbraw/zinc/55/95/21/1021559521.db2.gz CLJNICDOUJNMIA-DZGCQCFKSA-N 1 0 302.443 3.686 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000850490233 1021561467 /nfs/dbraw/zinc/56/14/67/1021561467.db2.gz XTSZWGALCXVCFG-OXJNMPFZSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850495274 1021564238 /nfs/dbraw/zinc/56/42/38/1021564238.db2.gz ZHXVIFLDOQIZOM-MBNYWOFBSA-N 1 0 306.425 3.542 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850505618 1021565502 /nfs/dbraw/zinc/56/55/02/1021565502.db2.gz UFEYLSPPWGPCKW-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C=CCC2)c1O ZINC000850507736 1021566917 /nfs/dbraw/zinc/56/69/17/1021566917.db2.gz KNJPRPIDROCUJC-KOLCDFICSA-N 1 0 312.207 3.533 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513329 1021570316 /nfs/dbraw/zinc/57/03/16/1021570316.db2.gz GEQXYJOUBDLPDS-KDOFPFPSSA-N 1 0 315.413 3.748 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000850514316 1021570624 /nfs/dbraw/zinc/57/06/24/1021570624.db2.gz DTEUWRJUWILVQP-IAGOWNOFSA-N 1 0 316.489 3.879 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513328 1021570933 /nfs/dbraw/zinc/57/09/33/1021570933.db2.gz GEQXYJOUBDLPDS-KBXCAEBGSA-N 1 0 315.413 3.748 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(OC3CC3)c1F)CC2 ZINC000850521410 1021575949 /nfs/dbraw/zinc/57/59/49/1021575949.db2.gz UXAZAOPUKIBGMA-OAHLLOKOSA-N 1 0 313.372 3.850 20 10 DHCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236630762 1021579616 /nfs/dbraw/zinc/57/96/16/1021579616.db2.gz CANLIVSCECAOBW-FQEVSTJZSA-N 1 0 318.505 3.954 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530069 1021582981 /nfs/dbraw/zinc/58/29/81/1021582981.db2.gz WUMQNMIZDBDWHE-PNHOKKKMSA-N 1 0 310.441 3.972 20 10 DHCDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(Br)cc1O ZINC000850530809 1021584207 /nfs/dbraw/zinc/58/42/07/1021584207.db2.gz DEYGKAVBMIXOAY-JTQLQIEISA-N 1 0 310.191 3.641 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC2CCCCCC2)c1 ZINC000182323650 1021605639 /nfs/dbraw/zinc/60/56/39/1021605639.db2.gz YTGPDNXCLMAITL-AWEZNQCLSA-N 1 0 307.434 3.791 20 10 DHCDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565409 1021608572 /nfs/dbraw/zinc/60/85/72/1021608572.db2.gz DNELUEOWKMAOIO-PMACEKPBSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1C ZINC000850565446 1021608788 /nfs/dbraw/zinc/60/87/88/1021608788.db2.gz BPGWYXIUKLRTDX-ZDUSSCGKSA-N 1 0 313.388 3.600 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850573089 1021617082 /nfs/dbraw/zinc/61/70/82/1021617082.db2.gz JFJUWLOJOCZFQG-FHSNZYRGSA-N 1 0 319.832 3.861 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000154823676 1021660687 /nfs/dbraw/zinc/66/06/87/1021660687.db2.gz XLFVDOIUKNAAPS-ROUUACIJSA-N 1 0 316.420 3.875 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000776499620 1021681975 /nfs/dbraw/zinc/68/19/75/1021681975.db2.gz WXCXDSPCAPCYBE-ORAYPTAESA-N 1 0 315.388 3.626 20 10 DHCDRO CC(C)[N@H+](CCCCCO)Cc1c(O)ccc(F)c1Cl ZINC001237127646 1021712958 /nfs/dbraw/zinc/71/29/58/1021712958.db2.gz HWBQUKUOHDSTGP-UHFFFAOYSA-N 1 0 303.805 3.558 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C)c2C)c(O)c1OC ZINC000892949515 1021726975 /nfs/dbraw/zinc/72/69/75/1021726975.db2.gz XKGNETJKVHREFY-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccccc2OC)c1 ZINC000182802748 1021806681 /nfs/dbraw/zinc/80/66/81/1021806681.db2.gz UVDVNXKGZYBYOX-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)CCC2)c1nccs1 ZINC000182844397 1021831151 /nfs/dbraw/zinc/83/11/51/1021831151.db2.gz HAJKWDXEPKLGCZ-GFCCVEGCSA-N 1 0 302.443 3.573 20 10 DHCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000746034383 1021832181 /nfs/dbraw/zinc/83/21/81/1021832181.db2.gz QKGHKHAYSXIYEQ-UHFFFAOYSA-N 1 0 317.360 3.672 20 10 DHCDRO CCc1cc(C[N@@H+]2CCO[C@H](CC)C2)c(O)c(C(C)(C)C)c1 ZINC000919939928 1021978396 /nfs/dbraw/zinc/97/83/96/1021978396.db2.gz KPMOQGNHUUYEOJ-MRXNPFEDSA-N 1 0 305.462 3.863 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000919954224 1021984250 /nfs/dbraw/zinc/98/42/50/1021984250.db2.gz NTRACXYFPYOXNM-SFHVURJKSA-N 1 0 305.381 3.673 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSCc2ccccc2)c1 ZINC000756354761 1022054726 /nfs/dbraw/zinc/05/47/26/1022054726.db2.gz CSTYKOUHRORTSK-AWEZNQCLSA-N 1 0 317.454 3.985 20 10 DHCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766368186 1022078917 /nfs/dbraw/zinc/07/89/17/1022078917.db2.gz YFMRAXUUFBGNAK-VQIMIIECSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC000183333136 1022111003 /nfs/dbraw/zinc/11/10/03/1022111003.db2.gz NRIIIBJKVZUVEP-GOSISDBHSA-N 1 0 307.397 3.819 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000180899744 1022172319 /nfs/dbraw/zinc/17/23/19/1022172319.db2.gz GLJUXSKDECYAQP-UHFFFAOYSA-N 1 0 307.315 3.979 20 10 DHCDRO CCOCc1cc(C[NH2+]C2(COC)CCCCC2)ccc1OC ZINC000853091111 1022216926 /nfs/dbraw/zinc/21/69/26/1022216926.db2.gz LXOQXVBJMMTIQX-UHFFFAOYSA-N 1 0 321.461 3.671 20 10 DHCDRO CC1(C)C[C@]1([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000853091647 1022218220 /nfs/dbraw/zinc/21/82/20/1022218220.db2.gz MBVHBAQADHPFIR-IBGZPJMESA-N 1 0 311.381 3.536 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000183671888 1022261994 /nfs/dbraw/zinc/26/19/94/1022261994.db2.gz APCCHODENFUAJY-HUUCEWRRSA-N 1 0 305.418 3.509 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC23CCCC3)c1O ZINC000763453091 1022278306 /nfs/dbraw/zinc/27/83/06/1022278306.db2.gz QKEHJCJFICKABC-ZDUSSCGKSA-N 1 0 310.235 3.885 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)CCCC2 ZINC000853590352 1022296251 /nfs/dbraw/zinc/29/62/51/1022296251.db2.gz RLOPPIZEVJKOKH-UHFFFAOYSA-N 1 0 312.413 3.639 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)sc32)c1 ZINC000363868240 1022357633 /nfs/dbraw/zinc/35/76/33/1022357633.db2.gz MYXUVDWLQBQXDL-QMTHXVAHSA-N 1 0 318.442 3.894 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000854225284 1022434027 /nfs/dbraw/zinc/43/40/27/1022434027.db2.gz BRBMAVUBYNPBNI-HPEXNQPKSA-N 1 0 312.388 3.939 20 10 DHCDRO Cc1cccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000179617932 1022493342 /nfs/dbraw/zinc/49/33/42/1022493342.db2.gz JNXZBQUPTLOKFK-UHFFFAOYSA-N 1 0 307.397 3.518 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Br ZINC001237677325 1022514235 /nfs/dbraw/zinc/51/42/35/1022514235.db2.gz LSBQNMRLJROOKE-GFCCVEGCSA-N 1 0 316.214 3.787 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776770570 1022558239 /nfs/dbraw/zinc/55/82/39/1022558239.db2.gz BGGCYJWGYDUDCT-LJQANCHMSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1O ZINC000186426767 1022574410 /nfs/dbraw/zinc/57/44/10/1022574410.db2.gz HSVCCZSSAQQWOO-UHFFFAOYSA-N 1 0 309.413 3.612 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000180027147 1022610436 /nfs/dbraw/zinc/61/04/36/1022610436.db2.gz OZLZYKMMOUHWGY-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000276140510 1022621990 /nfs/dbraw/zinc/62/19/90/1022621990.db2.gz DYEKFRHSBCGETI-ZDUSSCGKSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)CCO2 ZINC000767187899 1022659432 /nfs/dbraw/zinc/65/94/32/1022659432.db2.gz BFSBUXNIAVPVRG-KRWDZBQOSA-N 1 0 313.397 3.631 20 10 DHCDRO CC(C)c1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000767290552 1022681137 /nfs/dbraw/zinc/68/11/37/1022681137.db2.gz JUIVLGCPKHCOLZ-UHFFFAOYSA-N 1 0 324.472 3.569 20 10 DHCDRO Oc1ccccc1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000238099818 1022685886 /nfs/dbraw/zinc/68/58/86/1022685886.db2.gz YZOLHVSRSIABNY-UHFFFAOYSA-N 1 0 311.303 3.580 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)n1 ZINC000767427689 1022715973 /nfs/dbraw/zinc/71/59/73/1022715973.db2.gz VRXTUAHEVLNFEC-UHFFFAOYSA-N 1 0 313.445 3.606 20 10 DHCDRO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000187894264 1022719448 /nfs/dbraw/zinc/71/94/48/1022719448.db2.gz LLPFJFICFKUUOJ-OXJNMPFZSA-N 1 0 312.457 3.701 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCCCCOc2ccccc2)c1 ZINC000187935543 1022725993 /nfs/dbraw/zinc/72/59/93/1022725993.db2.gz HKPUOMBMLNQDDJ-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000876512584 1033083583 /nfs/dbraw/zinc/08/35/83/1033083583.db2.gz SPFAKVZFOHOWFM-NRFANRHFSA-N 1 0 322.452 3.595 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccc(Cl)o1)C[C@H]1CCCO1 ZINC000768162559 1022906767 /nfs/dbraw/zinc/90/67/67/1022906767.db2.gz QDIOEFAUXPXDAR-CQSZACIVSA-N 1 0 321.804 3.820 20 10 DHCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N(C)C)c(F)c1 ZINC000768196759 1022923866 /nfs/dbraw/zinc/92/38/66/1022923866.db2.gz GUQHMNDFTZEVTB-UHFFFAOYSA-N 1 0 322.449 3.602 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000768197398 1022925347 /nfs/dbraw/zinc/92/53/47/1022925347.db2.gz JWNUPODZXKPFEN-UHFFFAOYSA-N 1 0 314.477 3.679 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857060433 1022938431 /nfs/dbraw/zinc/93/84/31/1022938431.db2.gz RMJPALMZKKCHNP-SNVBAGLBSA-N 1 0 320.177 3.598 20 10 DHCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768337286 1022946584 /nfs/dbraw/zinc/94/65/84/1022946584.db2.gz CVWTZJOLYRZIRV-CQSZACIVSA-N 1 0 305.422 3.815 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000857081665 1022947240 /nfs/dbraw/zinc/94/72/40/1022947240.db2.gz PXXGGTQLUFDEPH-ZJUUUORDSA-N 1 0 304.217 3.635 20 10 DHCDRO CC(C)n1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000768353394 1022952575 /nfs/dbraw/zinc/95/25/75/1022952575.db2.gz SXRRWMJIXNXSCM-UHFFFAOYSA-N 1 0 314.477 3.941 20 10 DHCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(OC)c(OC)cc1O ZINC000768439813 1022964632 /nfs/dbraw/zinc/96/46/32/1022964632.db2.gz KGGFNOFSUSXEEU-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1cc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(O)cc1C ZINC000768439792 1022965517 /nfs/dbraw/zinc/96/55/17/1022965517.db2.gz JYCBWBWHZKCKIT-KWOWKCNFSA-N 1 0 301.430 3.720 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)CCCC2 ZINC000768466198 1022972176 /nfs/dbraw/zinc/97/21/76/1022972176.db2.gz NUYPTQSCUACQFM-UHFFFAOYSA-N 1 0 315.457 3.662 20 10 DHCDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768542816 1022986888 /nfs/dbraw/zinc/98/68/88/1022986888.db2.gz ZUWJCGBPIOGCTL-OAHLLOKOSA-N 1 0 308.441 3.530 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295923584 1023000081 /nfs/dbraw/zinc/00/00/81/1023000081.db2.gz JXKLWUGUKSRILG-LRDDRELGSA-N 1 0 313.397 3.748 20 10 DHCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1C ZINC000768913727 1023056462 /nfs/dbraw/zinc/05/64/62/1023056462.db2.gz QXSSKBIGDASPQG-LNLFQRSKSA-N 1 0 316.489 3.846 20 10 DHCDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2F)c(O)c1 ZINC000769029611 1023071082 /nfs/dbraw/zinc/07/10/82/1023071082.db2.gz LVUPDNGCECCZSZ-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000769102996 1023092206 /nfs/dbraw/zinc/09/22/06/1023092206.db2.gz RNSFRKPJWHFSKN-OXQOHEQNSA-N 1 0 310.441 3.715 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(C)c2)c(O)c1 ZINC000769234573 1023104183 /nfs/dbraw/zinc/10/41/83/1023104183.db2.gz VXMDCVXBLFUXJK-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)c1 ZINC000769307295 1023117500 /nfs/dbraw/zinc/11/75/00/1023117500.db2.gz GMOYJPIVBIXFCN-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769389495 1023139560 /nfs/dbraw/zinc/13/95/60/1023139560.db2.gz PJHDGUQHBJLCIG-AWEZNQCLSA-N 1 0 303.406 3.569 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000769422845 1023145206 /nfs/dbraw/zinc/14/52/06/1023145206.db2.gz DKTMBZVGYBDCOD-OAQYLSRUSA-N 1 0 324.468 3.625 20 10 DHCDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000769416617 1023145278 /nfs/dbraw/zinc/14/52/78/1023145278.db2.gz DJOBIQGHNLTRHC-GJZGRUSLSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769416621 1023145350 /nfs/dbraw/zinc/14/53/50/1023145350.db2.gz DJOBIQGHNLTRHC-LSDHHAIUSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)C[C@H](O)c1ccc(C)cc1 ZINC000769484346 1023152752 /nfs/dbraw/zinc/15/27/52/1023152752.db2.gz UNMTVXQQNCTPDY-FQEVSTJZSA-N 1 0 313.441 3.873 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)Cn2cccn2)c(C)n1-c1ccccc1 ZINC000769490187 1023154803 /nfs/dbraw/zinc/15/48/03/1023154803.db2.gz NBPGKFPLJWMBPI-MRXNPFEDSA-N 1 0 322.456 3.511 20 10 DHCDRO C[C@@H]1[N@H+](Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451807 1023155766 /nfs/dbraw/zinc/15/57/66/1023155766.db2.gz OHBLEJLGSYDMRN-INIZCTEOSA-N 1 0 302.462 3.676 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000769710668 1023198578 /nfs/dbraw/zinc/19/85/78/1023198578.db2.gz ONSQBFRIYRGTFK-AEFFLSMTSA-N 1 0 304.478 3.970 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cncc(OC)c1C ZINC000876654360 1033114623 /nfs/dbraw/zinc/11/46/23/1033114623.db2.gz DAINBYUDWYOCFV-UHFFFAOYSA-N 1 0 300.402 3.516 20 10 DHCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCC[C@H]1O ZINC000770292653 1023292803 /nfs/dbraw/zinc/29/28/03/1023292803.db2.gz NVHYPTDUOVHNIF-IEBWSBKVSA-N 1 0 311.425 3.652 20 10 DHCDRO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C23CCC3)c(O)c1 ZINC000770352456 1023303561 /nfs/dbraw/zinc/30/35/61/1023303561.db2.gz NWRKERXYBLFSIP-ROUUACIJSA-N 1 0 319.445 3.570 20 10 DHCDRO CC(C)(CCCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000771894659 1023487053 /nfs/dbraw/zinc/48/70/53/1023487053.db2.gz XNVYDOUUJLDNRV-UHFFFAOYSA-N 1 0 313.441 3.948 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876805387 1033146602 /nfs/dbraw/zinc/14/66/02/1033146602.db2.gz ZQPSIWDTOJEIQX-PBHICJAKSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000785557666 1023590580 /nfs/dbraw/zinc/59/05/80/1023590580.db2.gz AHTWVSMWADWWKB-KKSFZXQISA-N 1 0 324.468 3.711 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000785769403 1023617050 /nfs/dbraw/zinc/61/70/50/1023617050.db2.gz UIWWSDXTGCGGAG-UHFFFAOYSA-N 1 0 316.395 3.705 20 10 DHCDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000785989654 1023649113 /nfs/dbraw/zinc/64/91/13/1023649113.db2.gz WTTBIXSDUYDOLG-KUHUBIRLSA-N 1 0 316.420 3.621 20 10 DHCDRO CO[C@H](CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000786949090 1023740494 /nfs/dbraw/zinc/74/04/94/1023740494.db2.gz IBRWXVIYNHEAJC-UBHAPETDSA-N 1 0 321.314 3.637 20 10 DHCDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000786955016 1023741212 /nfs/dbraw/zinc/74/12/12/1023741212.db2.gz XLMVVDVDCMBFFZ-YPMHNXCESA-N 1 0 305.340 3.627 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC000787042755 1023752665 /nfs/dbraw/zinc/75/26/65/1023752665.db2.gz SOGDUHUBSGCPMV-UHFFFAOYSA-N 1 0 316.420 3.922 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000787279677 1023780415 /nfs/dbraw/zinc/78/04/15/1023780415.db2.gz NYNCLWWCJPBLAZ-KRWDZBQOSA-N 1 0 324.468 3.936 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(O)c1 ZINC000787416846 1023790715 /nfs/dbraw/zinc/79/07/15/1023790715.db2.gz HWMYIYCHDLTRGU-AWEZNQCLSA-N 1 0 317.351 3.954 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000788270097 1023870299 /nfs/dbraw/zinc/87/02/99/1023870299.db2.gz PFMSVQZPDWMIPU-DYESRHJHSA-N 1 0 324.468 3.668 20 10 DHCDRO CC1(C)CC[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000788379448 1023879261 /nfs/dbraw/zinc/87/92/61/1023879261.db2.gz YPNPFRQCFPCXKF-UHFFFAOYSA-N 1 0 302.443 3.658 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788503127 1023896682 /nfs/dbraw/zinc/89/66/82/1023896682.db2.gz LYDQQDBKZFOHFE-MJGOQNOKSA-N 1 0 324.468 3.934 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC000788540141 1023901394 /nfs/dbraw/zinc/90/13/94/1023901394.db2.gz RHEKXDDKDCJYLQ-WOJBJXKFSA-N 1 0 313.441 3.851 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cn2ccccc2n1 ZINC000788525858 1023905584 /nfs/dbraw/zinc/90/55/84/1023905584.db2.gz NPTFYDLDSARSLJ-INIZCTEOSA-N 1 0 320.440 3.785 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788532134 1023907255 /nfs/dbraw/zinc/90/72/55/1023907255.db2.gz LCGXAINBYLBEJR-UHFFFAOYSA-N 1 0 310.775 3.974 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c(O)c1 ZINC000788574347 1023908526 /nfs/dbraw/zinc/90/85/26/1023908526.db2.gz SSCOQGSHNKFZDO-IRXDYDNUSA-N 1 0 304.478 3.780 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000788687644 1023920566 /nfs/dbraw/zinc/92/05/66/1023920566.db2.gz RLUJXQGYMXXVRD-LIRRHRJNSA-N 1 0 317.404 3.706 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000788801785 1023935776 /nfs/dbraw/zinc/93/57/76/1023935776.db2.gz ZUDNPVMFVCTBBF-KBPBESRZSA-N 1 0 322.449 3.573 20 10 DHCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc3cccnc31)CCC2 ZINC001137178140 1024039615 /nfs/dbraw/zinc/03/96/15/1024039615.db2.gz VTQUMZFDIRGABS-UHFFFAOYSA-N 1 0 320.392 3.594 20 10 DHCDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000789586287 1024120538 /nfs/dbraw/zinc/12/05/38/1024120538.db2.gz JZQMQCXJIQCQAF-OAGGEKHMSA-N 1 0 320.452 3.529 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000268774816 1024159026 /nfs/dbraw/zinc/15/90/26/1024159026.db2.gz AUYMUBKJXFDAHS-CQSZACIVSA-N 1 0 312.461 3.790 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(COC)o2)cc1 ZINC000268825254 1024172384 /nfs/dbraw/zinc/17/23/84/1024172384.db2.gz YPYAELJEDNFMNA-UHFFFAOYSA-N 1 0 302.418 3.562 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268853534 1024180375 /nfs/dbraw/zinc/18/03/75/1024180375.db2.gz QFGVVBJBZAOWOX-SFHVURJKSA-N 1 0 319.408 3.950 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000882947013 1024182387 /nfs/dbraw/zinc/18/23/87/1024182387.db2.gz GYRXYHUCDGDQTO-HNNXBMFYSA-N 1 0 305.324 3.674 20 10 DHCDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882986598 1024192928 /nfs/dbraw/zinc/19/29/28/1024192928.db2.gz DHOWPAARXACBKA-HNNXBMFYSA-N 1 0 305.324 3.511 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000130701397 1024203644 /nfs/dbraw/zinc/20/36/44/1024203644.db2.gz ATOKZSSGHZIVTG-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000130725235 1024208801 /nfs/dbraw/zinc/20/88/01/1024208801.db2.gz FCJZVVYSMFGIET-UHFFFAOYSA-N 1 0 300.358 3.713 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000268985846 1024213308 /nfs/dbraw/zinc/21/33/08/1024213308.db2.gz SUNWTMYPKGCHNN-KRWDZBQOSA-N 1 0 302.462 3.724 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883028078 1024216237 /nfs/dbraw/zinc/21/62/37/1024216237.db2.gz ZGWDIHUMOMERML-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO CC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000876966398 1033194332 /nfs/dbraw/zinc/19/43/32/1033194332.db2.gz UKGDGCFPAHZTLA-UHFFFAOYSA-N 1 0 316.489 3.565 20 10 DHCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc(C)c1C ZINC000662498714 1024225479 /nfs/dbraw/zinc/22/54/79/1024225479.db2.gz LEVAMNQHTSTPJY-UHFFFAOYSA-N 1 0 308.425 3.616 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c(O)c1C ZINC000790700011 1024356852 /nfs/dbraw/zinc/35/68/52/1024356852.db2.gz APSYUAPZBKCLBD-KXBFYZLASA-N 1 0 305.462 3.991 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C(F)(F)F)cc1O ZINC000883319874 1024374435 /nfs/dbraw/zinc/37/44/35/1024374435.db2.gz SZLTVMQHAXXTCO-SCDSUCTJSA-N 1 0 317.351 3.877 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C3CC(n4cccn4)C3)cc2)CC1 ZINC000877024503 1033209260 /nfs/dbraw/zinc/20/92/60/1033209260.db2.gz GBHYKPHYBDEFKG-UHFFFAOYSA-N 1 0 324.472 3.613 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883383298 1024417085 /nfs/dbraw/zinc/41/70/85/1024417085.db2.gz WMVZAGVPXNBWSC-SJLPKXTDSA-N 1 0 315.388 3.906 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC000883387772 1024422501 /nfs/dbraw/zinc/42/25/01/1024422501.db2.gz DYKWKYFSGUJFIA-QFBILLFUSA-N 1 0 321.424 3.989 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398641 1024427713 /nfs/dbraw/zinc/42/77/13/1024427713.db2.gz RLDUKLFJBWRMBX-IBGZPJMESA-N 1 0 321.424 3.737 20 10 DHCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271486369 1024520817 /nfs/dbraw/zinc/52/08/17/1024520817.db2.gz KIDHRUFUKJWVQU-HOTGVXAUSA-N 1 0 322.468 3.875 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000271495426 1024522263 /nfs/dbraw/zinc/52/22/63/1024522263.db2.gz LCCSZFIPLONJBM-RDJZCZTQSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000271587929 1024545743 /nfs/dbraw/zinc/54/57/43/1024545743.db2.gz XVYILHPOFZKALU-JFIYKMOQSA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccccc1O ZINC000271672530 1024560187 /nfs/dbraw/zinc/56/01/87/1024560187.db2.gz GTKZFKYEZWKTFY-MRXNPFEDSA-N 1 0 301.386 3.650 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073459 1033229144 /nfs/dbraw/zinc/22/91/44/1033229144.db2.gz KZDSDMNTPXFDHY-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000167980283 1024744099 /nfs/dbraw/zinc/74/40/99/1024744099.db2.gz VHSSTTXXTREPAG-UHFFFAOYSA-N 1 0 324.346 3.783 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC001170366166 1024754114 /nfs/dbraw/zinc/75/41/14/1024754114.db2.gz VGSUUPGRWOPFOB-GOSISDBHSA-N 1 0 304.478 3.828 20 10 DHCDRO CC(C)n1nccc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000792788420 1024792371 /nfs/dbraw/zinc/79/23/71/1024792371.db2.gz FCTBBQHPLBFTOH-UHFFFAOYSA-N 1 0 314.477 3.941 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000792894579 1024826117 /nfs/dbraw/zinc/82/61/17/1024826117.db2.gz ZPQRQSNVRJEJFI-QRWLVFNGSA-N 1 0 312.457 3.651 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000792986523 1024858838 /nfs/dbraw/zinc/85/88/38/1024858838.db2.gz ONFQMFHSVCYCHK-OAHLLOKOSA-N 1 0 318.383 3.532 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000116383061 1024859544 /nfs/dbraw/zinc/85/95/44/1024859544.db2.gz VWTUZNGNTJDMHU-UHFFFAOYSA-N 1 0 306.431 3.581 20 10 DHCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000134787534 1033244417 /nfs/dbraw/zinc/24/44/17/1033244417.db2.gz ANEFTEXOMBKMCO-LPGAHRBXSA-N 1 0 307.821 3.654 20 10 DHCDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000119041845 1024945899 /nfs/dbraw/zinc/94/58/99/1024945899.db2.gz NLKDSXCXWCMWLE-INIZCTEOSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000119107004 1024948750 /nfs/dbraw/zinc/94/87/50/1024948750.db2.gz OKUKTIKMEYAAOM-IERDGZPVSA-N 1 0 322.452 3.861 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000793235307 1024950886 /nfs/dbraw/zinc/95/08/86/1024950886.db2.gz FVQFFAJGCPMNFE-SJLPKXTDSA-N 1 0 303.377 3.523 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000793235292 1024952240 /nfs/dbraw/zinc/95/22/40/1024952240.db2.gz FREIZOXKHOLWBV-UXHICEINSA-N 1 0 312.457 3.745 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000134236170 1025026025 /nfs/dbraw/zinc/02/60/25/1025026025.db2.gz PWRTZPYIHYRVTE-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000134227073 1025026371 /nfs/dbraw/zinc/02/63/71/1025026371.db2.gz QZBOOZSYAMAYJN-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3nc(C)ccc3c2)c(O)c1 ZINC000793391425 1025031105 /nfs/dbraw/zinc/03/11/05/1025031105.db2.gz YHRCIBYZNLNMKR-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO CC[C@@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1ccccc1O ZINC000229552916 1025062460 /nfs/dbraw/zinc/06/24/60/1025062460.db2.gz XRKGUIROXWHFJD-OAHLLOKOSA-N 1 0 322.449 3.690 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000793520733 1025071447 /nfs/dbraw/zinc/07/14/47/1025071447.db2.gz ILOPQUMKGTWRBS-HBUWYVDXSA-N 1 0 320.452 3.718 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000793610839 1025129109 /nfs/dbraw/zinc/12/91/09/1025129109.db2.gz YWIOYTQGFLXBEU-UHFFFAOYSA-N 1 0 315.804 3.563 20 10 DHCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000318995240 1025129142 /nfs/dbraw/zinc/12/91/42/1025129142.db2.gz NMSXKSWJEMIZKW-GJZGRUSLSA-N 1 0 300.446 3.926 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c(O)c1 ZINC000877350860 1033286370 /nfs/dbraw/zinc/28/63/70/1033286370.db2.gz OVEQLPDLZLKBPE-UHFFFAOYSA-N 1 0 307.397 3.675 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(C)cc1O ZINC000279932841 1025512623 /nfs/dbraw/zinc/51/26/23/1025512623.db2.gz ATDAEOZBTIOPHZ-PBHICJAKSA-N 1 0 305.443 3.711 20 10 DHCDRO Cc1cc(C[NH2+]Cc2[nH]nc(C)c2C)c(C)n1-c1ccccc1 ZINC000886171382 1025544723 /nfs/dbraw/zinc/54/47/23/1025544723.db2.gz GEBBNQJYXNANQY-UHFFFAOYSA-N 1 0 308.429 3.724 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]CCCCO)c(O)c(C(C)(C)C)c1 ZINC000138572983 1025766508 /nfs/dbraw/zinc/76/65/08/1025766508.db2.gz QVXBSJMJEYMDSN-UHFFFAOYSA-N 1 0 307.478 3.849 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806142110 1025801495 /nfs/dbraw/zinc/80/14/95/1025801495.db2.gz YNZMPGGTHSXJMC-MRXNPFEDSA-N 1 0 315.848 3.887 20 10 DHCDRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806176901 1025801705 /nfs/dbraw/zinc/80/17/05/1025801705.db2.gz XMBBBTQASAQZKS-AWEZNQCLSA-N 1 0 324.415 3.595 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806169107 1025826083 /nfs/dbraw/zinc/82/60/83/1025826083.db2.gz IGQRCWAEGNLXPZ-FUHWJXTLSA-N 1 0 304.478 3.592 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000246886116 1025839853 /nfs/dbraw/zinc/83/98/53/1025839853.db2.gz DPKWZUUPZUDLDT-PIKADFDJSA-N 1 0 302.462 3.751 20 10 DHCDRO CC[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000076118453 1025862547 /nfs/dbraw/zinc/86/25/47/1025862547.db2.gz LVWUCQDECBKFFQ-UHFFFAOYSA-N 1 0 321.218 3.572 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000886774193 1025894131 /nfs/dbraw/zinc/89/41/31/1025894131.db2.gz JNQDLZSPUYARRX-KSSFIOAISA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC001308359582 1025909679 /nfs/dbraw/zinc/90/96/79/1025909679.db2.gz YXRDQBADQOSJAV-SNVBAGLBSA-N 1 0 309.207 3.642 20 10 DHCDRO CCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1O ZINC000236991084 1026003579 /nfs/dbraw/zinc/00/35/79/1026003579.db2.gz NOABHPNMYWMPJE-UHFFFAOYSA-N 1 0 301.430 3.849 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(OCCC(C)C)CC2)c1O ZINC000121613647 1026145437 /nfs/dbraw/zinc/14/54/37/1026145437.db2.gz PSZSILRDFJXUHF-UHFFFAOYSA-N 1 0 321.461 3.818 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1O ZINC000289744097 1026154892 /nfs/dbraw/zinc/15/48/92/1026154892.db2.gz QIHAGTJZELWBNR-AQNXPRMDSA-N 1 0 323.436 3.705 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000289890227 1026222317 /nfs/dbraw/zinc/22/23/17/1026222317.db2.gz SOMQAIQZHGYWDW-LJQANCHMSA-N 1 0 309.409 3.576 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000279966065 1026285346 /nfs/dbraw/zinc/28/53/46/1026285346.db2.gz CPEUXQTYFXGRDB-MRXNPFEDSA-N 1 0 300.358 3.850 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000808431279 1026300230 /nfs/dbraw/zinc/30/02/30/1026300230.db2.gz YLMQKYALPLFIBI-UHFFFAOYSA-N 1 0 302.462 3.749 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1O ZINC000808682833 1026347889 /nfs/dbraw/zinc/34/78/89/1026347889.db2.gz WUOGXVVSVYCNFV-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(O)cc2)c1O ZINC000808682311 1026347934 /nfs/dbraw/zinc/34/79/34/1026347934.db2.gz OGNZKWNDAMLXGM-GFCCVEGCSA-N 1 0 305.805 3.953 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CSCc3ccccc32)c1O ZINC000894204124 1026348158 /nfs/dbraw/zinc/34/81/58/1026348158.db2.gz IXHWUPZSYOUUSJ-MRXNPFEDSA-N 1 0 315.438 3.787 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)N1CCCC1 ZINC000808675740 1026353439 /nfs/dbraw/zinc/35/34/39/1026353439.db2.gz QTCFFMUTUVQCPQ-DZGCQCFKSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000808673746 1026353893 /nfs/dbraw/zinc/35/38/93/1026353893.db2.gz SRLWSAQUPQTTQH-LBPRGKRZSA-N 1 0 308.853 3.631 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000808728145 1026371866 /nfs/dbraw/zinc/37/18/66/1026371866.db2.gz CQKUONFIWOILON-HOCLYGCPSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c1O ZINC000808695955 1026372930 /nfs/dbraw/zinc/37/29/30/1026372930.db2.gz QIDOURYFHOFSRH-GIPWTMENSA-N 1 0 317.882 3.552 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1O ZINC000808701424 1026375839 /nfs/dbraw/zinc/37/58/39/1026375839.db2.gz XIZNARYKZUTDOS-ZFWWWQNUSA-N 1 0 319.832 3.781 20 10 DHCDRO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC000808729994 1026382575 /nfs/dbraw/zinc/38/25/75/1026382575.db2.gz RCXRWPIJQXPMDH-CXAGYDPISA-N 1 0 314.404 3.546 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000808729021 1026382728 /nfs/dbraw/zinc/38/27/28/1026382728.db2.gz XXLBVDUACJRNBO-VQIMIIECSA-N 1 0 310.441 3.970 20 10 DHCDRO COc1cc(C)cc(C[NH+]2CCC(OCCC(C)C)CC2)c1O ZINC000178859699 1026413443 /nfs/dbraw/zinc/41/34/43/1026413443.db2.gz DDTISXNVRGKFRW-UHFFFAOYSA-N 1 0 321.461 3.736 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1F ZINC000758498120 1026438145 /nfs/dbraw/zinc/43/81/45/1026438145.db2.gz HTAXHXNBSBJWQV-KRWDZBQOSA-N 1 0 308.441 3.577 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1ccc(C)cc1O ZINC000279975849 1026477071 /nfs/dbraw/zinc/47/70/71/1026477071.db2.gz DHVZIZOBYQFQJC-WQLIQUDQSA-N 1 0 323.502 3.821 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(C)cc1O ZINC000279997907 1026571723 /nfs/dbraw/zinc/57/17/23/1026571723.db2.gz FRSMGNXRPXWDOA-PBHICJAKSA-N 1 0 301.434 3.583 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693382 1026584505 /nfs/dbraw/zinc/58/45/05/1026584505.db2.gz UWRLTZLXEIBUCL-IBGZPJMESA-N 1 0 312.461 3.983 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC000809730287 1026597811 /nfs/dbraw/zinc/59/78/11/1026597811.db2.gz IJJMVSOCNNOWTK-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1O ZINC000809737453 1026609268 /nfs/dbraw/zinc/60/92/68/1026609268.db2.gz HYDKRKZOPULRFF-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000809737124 1026609977 /nfs/dbraw/zinc/60/99/77/1026609977.db2.gz DRXKHVZMPBDTCF-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO COc1cccc(C[NH2+]CCCCCOc2ccccc2)c1O ZINC000809740419 1026611080 /nfs/dbraw/zinc/61/10/80/1026611080.db2.gz YITXWDNHRYWDHE-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc3nc(C)ccc3c2)c1O ZINC000809739957 1026611473 /nfs/dbraw/zinc/61/14/73/1026611473.db2.gz IGEXQFIXYYBBNN-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(C)cc1O ZINC000280223050 1026615994 /nfs/dbraw/zinc/61/59/94/1026615994.db2.gz UXSVOGZSBSSTFY-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO CCCC[N@H+](CCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000809752610 1026616828 /nfs/dbraw/zinc/61/68/28/1026616828.db2.gz TVYQNPGTXMGVBB-UHFFFAOYSA-N 1 0 304.478 3.661 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1F ZINC000809763352 1026619812 /nfs/dbraw/zinc/61/98/12/1026619812.db2.gz ACJZDMAHZWKUJI-UHFFFAOYSA-N 1 0 322.468 3.655 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809789806 1026627843 /nfs/dbraw/zinc/62/78/43/1026627843.db2.gz HPLMWBGZXNXOPE-TXEJJXNPSA-N 1 0 317.351 3.954 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810213535 1026707034 /nfs/dbraw/zinc/70/70/34/1026707034.db2.gz USEMPLHMTOFFLS-TZMCWYRMSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810214724 1026709743 /nfs/dbraw/zinc/70/97/43/1026709743.db2.gz HIGFQXWJSGZYKM-ZWNOBZJWSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228161 1026712752 /nfs/dbraw/zinc/71/27/52/1026712752.db2.gz COXLTDUHAHRKPC-RISCZKNCSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810224881 1026713742 /nfs/dbraw/zinc/71/37/42/1026713742.db2.gz ZNPKOUWDAWOAED-WCQYABFASA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810234518 1026716612 /nfs/dbraw/zinc/71/66/12/1026716612.db2.gz FHGJQSLTNDPWBZ-KWBADKCTSA-N 1 0 305.340 3.611 20 10 DHCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000810259882 1026720110 /nfs/dbraw/zinc/72/01/10/1026720110.db2.gz WDPGUFHXJJJACK-YJBOKZPZSA-N 1 0 310.441 3.715 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1O)OC ZINC000810260187 1026720745 /nfs/dbraw/zinc/72/07/45/1026720745.db2.gz GTMIVRBOSVLAMS-PWSUYJOCSA-N 1 0 316.239 3.539 20 10 DHCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000810253691 1026731322 /nfs/dbraw/zinc/73/13/22/1026731322.db2.gz APCBNTOVGZJDBF-CABCVRRESA-N 1 0 304.478 3.650 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Br)ccc1O ZINC000810257996 1026732161 /nfs/dbraw/zinc/73/21/61/1026732161.db2.gz XTXSCODHXKHDBW-NRUUGDAUSA-N 1 0 316.239 3.619 20 10 DHCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000811517828 1027019818 /nfs/dbraw/zinc/01/98/18/1027019818.db2.gz BBLGPOFXXJNUQK-LJQANCHMSA-N 1 0 316.489 3.564 20 10 DHCDRO CC[C@@]1(C[NH2+]Cc2cccc(C)c2O)OCCc2ccccc21 ZINC000811509997 1027026032 /nfs/dbraw/zinc/02/60/32/1027026032.db2.gz PMRUKVQBPGWEMS-FQEVSTJZSA-N 1 0 311.425 3.668 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512212 1027026853 /nfs/dbraw/zinc/02/68/53/1027026853.db2.gz HODSXRHJVTZZQM-IBGZPJMESA-N 1 0 313.372 3.501 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1O ZINC000811512163 1027027114 /nfs/dbraw/zinc/02/71/14/1027027114.db2.gz FLCRSSICOWUVBW-HXUWFJFHSA-N 1 0 309.409 3.670 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@H]1C1CC1 ZINC000811513326 1027029151 /nfs/dbraw/zinc/02/91/51/1027029151.db2.gz GFWODFALIXUWDV-AWEZNQCLSA-N 1 0 310.235 3.775 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000295185348 1027135538 /nfs/dbraw/zinc/13/55/38/1027135538.db2.gz NHLSEVJHDLMKOL-UHFFFAOYSA-N 1 0 316.470 3.511 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](CC)c1ccccc1O ZINC000295196775 1027139381 /nfs/dbraw/zinc/13/93/81/1027139381.db2.gz YAZYIVOLWMCXBW-YPMHNXCESA-N 1 0 305.340 3.790 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)cnc1Br ZINC000931553395 1027169166 /nfs/dbraw/zinc/16/91/66/1027169166.db2.gz CTPUSWZSAMPEKO-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000271874286 1027170683 /nfs/dbraw/zinc/17/06/83/1027170683.db2.gz XHFYHUGUSTXOEA-DIFFPNOSSA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1O ZINC001170668031 1027211414 /nfs/dbraw/zinc/21/14/14/1027211414.db2.gz DZLSCWOLLSZNLY-BXUZGUMPSA-N 1 0 303.352 3.879 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c(C(C)(C)C)c1 ZINC000812295647 1027247605 /nfs/dbraw/zinc/24/76/05/1027247605.db2.gz GEYDJFUIGHCNAL-INIZCTEOSA-N 1 0 313.445 3.642 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931910192 1027299819 /nfs/dbraw/zinc/29/98/19/1027299819.db2.gz AXYCECIKDBNFMW-CQSZACIVSA-N 1 0 316.342 3.619 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(C)cc1O ZINC000812738735 1027382706 /nfs/dbraw/zinc/38/27/06/1027382706.db2.gz ZVSJIEWQAHKHHZ-QGZVFWFLSA-N 1 0 309.413 3.828 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000812776988 1027401568 /nfs/dbraw/zinc/40/15/68/1027401568.db2.gz UFFOBZJOOQZEMP-LJQANCHMSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3(C(C)C)CC3)CC2)cc1 ZINC000812836952 1027439851 /nfs/dbraw/zinc/43/98/51/1027439851.db2.gz GNDOGDSWOXEZPI-UHFFFAOYSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000894279970 1027467925 /nfs/dbraw/zinc/46/79/25/1027467925.db2.gz FHKUVNOQRLHTOW-UHFFFAOYSA-N 1 0 301.361 3.627 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000296006513 1027518006 /nfs/dbraw/zinc/51/80/06/1027518006.db2.gz OPROVYICAGGLSO-SFHVURJKSA-N 1 0 308.425 3.770 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296152425 1027559147 /nfs/dbraw/zinc/55/91/47/1027559147.db2.gz WTQSAQFEGQEXMK-QGZVFWFLSA-N 1 0 321.424 3.718 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)CC2 ZINC000296256800 1027588331 /nfs/dbraw/zinc/58/83/31/1027588331.db2.gz DCFHOLDASAUAAD-LBPRGKRZSA-N 1 0 308.303 3.583 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C\c2ccc(F)cc2)c1 ZINC000813330645 1027609036 /nfs/dbraw/zinc/60/90/36/1027609036.db2.gz BOEACULDZBCYTE-SCOBNMCVSA-N 1 0 301.361 3.904 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cncs2)cc1F ZINC000158702412 1027615989 /nfs/dbraw/zinc/61/59/89/1027615989.db2.gz DQMUOIQRPCNEKV-LBPRGKRZSA-N 1 0 307.438 3.979 20 10 DHCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296488228 1027652977 /nfs/dbraw/zinc/65/29/77/1027652977.db2.gz KWIOLTRXLZQFBQ-MRXNPFEDSA-N 1 0 304.478 3.922 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)C(C)C)cc2)CC1 ZINC000296662454 1027703729 /nfs/dbraw/zinc/70/37/29/1027703729.db2.gz YNXJJNHYSDGGLD-MRXNPFEDSA-N 1 0 304.478 3.778 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000159104067 1027724851 /nfs/dbraw/zinc/72/48/51/1027724851.db2.gz YZSFAVNRLRJBNL-HOCLYGCPSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@@H]1C[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000778995686 1027732531 /nfs/dbraw/zinc/73/25/31/1027732531.db2.gz FRSJEOZTMHZCNS-NVXWUHKLSA-N 1 0 302.462 3.532 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877922 1027746811 /nfs/dbraw/zinc/74/68/11/1027746811.db2.gz HLSVTFHMEXZZMH-GWCFXTLKSA-N 1 0 319.276 3.937 20 10 DHCDRO C[C@@H](N[C@H]1CCc2cccc(O)c21)c1noc(-c2ccccc2)n1 ZINC000296986505 1027773559 /nfs/dbraw/zinc/77/35/59/1027773559.db2.gz SDGNWKQZRQXKCM-DOMZBBRYSA-N 1 0 321.380 3.780 20 10 DHCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000297416410 1027806852 /nfs/dbraw/zinc/80/68/52/1027806852.db2.gz UJITWISPZJHJSI-HZPDHXFCSA-N 1 0 322.468 3.875 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363703 1027814401 /nfs/dbraw/zinc/81/44/01/1027814401.db2.gz OBEWZDVNMOMVNV-AZUAARDMSA-N 1 0 321.424 3.956 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)c(O)c1C ZINC000364437630 1027819439 /nfs/dbraw/zinc/81/94/39/1027819439.db2.gz DFQDAWMOIQYSQH-YZVOILCLSA-N 1 0 311.425 3.881 20 10 DHCDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3O)C[C@@H]21 ZINC001170729838 1027912068 /nfs/dbraw/zinc/91/20/68/1027912068.db2.gz HDTRHULIRVYTEF-CLLJXQQHSA-N 1 0 310.235 3.679 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365623102 1027987695 /nfs/dbraw/zinc/98/76/95/1027987695.db2.gz PQZXSOBAFFXADT-BPQIPLTHSA-N 1 0 301.430 3.877 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000779038077 1027993113 /nfs/dbraw/zinc/99/31/13/1027993113.db2.gz INAIJICAYDKPGI-VHSXEESVSA-N 1 0 324.222 3.598 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528000668 1028023296 /nfs/dbraw/zinc/02/32/96/1028023296.db2.gz KLGUUWDOGLADAT-WBVHZDCISA-N 1 0 306.425 3.589 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C2CC2)cn1 ZINC000528043822 1028058935 /nfs/dbraw/zinc/05/89/35/1028058935.db2.gz QIFWZUYQKVJXGM-YJYMSZOUSA-N 1 0 312.413 3.906 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1ccc(C)cc1O ZINC000366472210 1028085983 /nfs/dbraw/zinc/08/59/83/1028085983.db2.gz KZNDOIRGBFMRCL-JVPBZIDWSA-N 1 0 311.425 3.962 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1ccc(C)cc1O ZINC000366472209 1028086173 /nfs/dbraw/zinc/08/61/73/1028086173.db2.gz KZNDOIRGBFMRCL-CCKFTAQKSA-N 1 0 311.425 3.962 20 10 DHCDRO Oc1ccccc1C[N@H+](CCC1CCOCC1)Cc1ccco1 ZINC000814627034 1028128745 /nfs/dbraw/zinc/12/87/45/1028128745.db2.gz CDZCLMIFSKAAQG-UHFFFAOYSA-N 1 0 315.413 3.804 20 10 DHCDRO CC(C)[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000814630844 1028131475 /nfs/dbraw/zinc/13/14/75/1028131475.db2.gz ZESAXOBYEOKLPF-UZLBHIALSA-N 1 0 313.441 3.972 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779074437 1028167440 /nfs/dbraw/zinc/16/74/40/1028167440.db2.gz SPHDDNIDAZTAHK-WDEREUQCSA-N 1 0 316.239 3.539 20 10 DHCDRO CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220051 1028258127 /nfs/dbraw/zinc/25/81/27/1028258127.db2.gz ZXUCXLKDPOYSAC-YPMHNXCESA-N 1 0 305.340 3.877 20 10 DHCDRO Cc1cc(C[NH+]2CCC(OCC(C)C)CC2)ccc1N(C)C ZINC000815022356 1028329009 /nfs/dbraw/zinc/32/90/09/1028329009.db2.gz WANLYBXSWIKREZ-UHFFFAOYSA-N 1 0 304.478 3.698 20 10 DHCDRO Cc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)ccc1N(C)C ZINC000815055106 1028336638 /nfs/dbraw/zinc/33/66/38/1028336638.db2.gz VZQZNEGWPXHJQK-FQEVSTJZSA-N 1 0 312.457 3.617 20 10 DHCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(N(C)C)c(C)c1 ZINC000815061320 1028346638 /nfs/dbraw/zinc/34/66/38/1028346638.db2.gz QJNUVTPXTXHCBT-UHFFFAOYSA-N 1 0 316.445 3.611 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1ccc(N(C)C)c(C)c1 ZINC000815075574 1028353950 /nfs/dbraw/zinc/35/39/50/1028353950.db2.gz BFNHLFPOGQAEGL-UHFFFAOYSA-N 1 0 303.475 3.582 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1c(C)noc1C ZINC000815089517 1028358642 /nfs/dbraw/zinc/35/86/42/1028358642.db2.gz QGIVNAFFEYSAHB-INIZCTEOSA-N 1 0 301.434 3.907 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)ccc2F)cc1 ZINC000815115528 1028361122 /nfs/dbraw/zinc/36/11/22/1028361122.db2.gz ICTJEDCUVPAVAW-UHFFFAOYSA-N 1 0 316.420 3.970 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)cc1 ZINC000815116943 1028362583 /nfs/dbraw/zinc/36/25/83/1028362583.db2.gz HJYKEAFQEZIFQA-UHFFFAOYSA-N 1 0 301.434 3.772 20 10 DHCDRO COc1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000815122529 1028368028 /nfs/dbraw/zinc/36/80/28/1028368028.db2.gz MZPZVFSRCUOOJM-UHFFFAOYSA-N 1 0 314.404 3.507 20 10 DHCDRO Oc1cccc(C[NH2+]CCCSc2nccs2)c1Cl ZINC000815124699 1028370872 /nfs/dbraw/zinc/37/08/72/1028370872.db2.gz IHTIANLHZINFKZ-UHFFFAOYSA-N 1 0 314.863 3.774 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000815108920 1028383261 /nfs/dbraw/zinc/38/32/61/1028383261.db2.gz QBFAKQPUXCEHGH-WFASDCNBSA-N 1 0 300.368 3.915 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccccc1O ZINC000188724764 1028528770 /nfs/dbraw/zinc/52/87/70/1028528770.db2.gz IWXBTKCDXHXOEQ-GFCCVEGCSA-N 1 0 307.340 3.887 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577464 1028551914 /nfs/dbraw/zinc/55/19/14/1028551914.db2.gz QVMNSCKOXNGSRG-ICSRJNTNSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(F)ccc1O)CC3 ZINC000779164881 1028561737 /nfs/dbraw/zinc/56/17/37/1028561737.db2.gz APGVXFXFHASGCY-OAHLLOKOSA-N 1 0 324.399 3.968 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000815599355 1028565224 /nfs/dbraw/zinc/56/52/24/1028565224.db2.gz QUVGZPGMFSFCPW-QAPCUYQASA-N 1 0 310.441 3.846 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC000815616898 1028572436 /nfs/dbraw/zinc/57/24/36/1028572436.db2.gz AWDYSUXBRUZBAM-GDIGMMSISA-N 1 0 303.446 3.865 20 10 DHCDRO Cn1nccc1[C@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000370201386 1028578030 /nfs/dbraw/zinc/57/80/30/1028578030.db2.gz KASANPPMLMCUSM-OAHLLOKOSA-N 1 0 305.809 3.506 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000815651981 1028595295 /nfs/dbraw/zinc/59/52/95/1028595295.db2.gz KSECRQVIYVBFAK-MAUKXSAKSA-N 1 0 304.478 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c(O)c1C ZINC000815648836 1028595957 /nfs/dbraw/zinc/59/59/57/1028595957.db2.gz YXMCTKDGMHXVQQ-DOTOQJQBSA-N 1 0 305.462 3.848 20 10 DHCDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000189739759 1028677220 /nfs/dbraw/zinc/67/72/20/1028677220.db2.gz LTVPIYSLFTWKIB-SFHVURJKSA-N 1 0 302.462 3.724 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000371868835 1028769670 /nfs/dbraw/zinc/76/96/70/1028769670.db2.gz CERMXNUEFCEGAB-SUMWQHHRSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(O)c1C ZINC000371871204 1028770819 /nfs/dbraw/zinc/77/08/19/1028770819.db2.gz YILYHCCIDRFNNF-PAYONLEZSA-N 1 0 303.446 3.863 20 10 DHCDRO Cc1ccnc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000371889119 1028773551 /nfs/dbraw/zinc/77/35/51/1028773551.db2.gz VKRZSHXVMHTBPT-UHFFFAOYSA-N 1 0 317.820 3.524 20 10 DHCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)Cc1ccsc1 ZINC000190259717 1028866250 /nfs/dbraw/zinc/86/62/50/1028866250.db2.gz OZUBNTWTLIQPSJ-LBPRGKRZSA-N 1 0 319.426 3.636 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597183 1028874161 /nfs/dbraw/zinc/87/41/61/1028874161.db2.gz XUJIVPPEFIDESN-SJLPKXTDSA-N 1 0 313.445 3.994 20 10 DHCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816494402 1028899936 /nfs/dbraw/zinc/89/99/36/1028899936.db2.gz JWQQYALKTMEKDE-INIZCTEOSA-N 1 0 321.424 3.659 20 10 DHCDRO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816549620 1028929541 /nfs/dbraw/zinc/92/95/41/1028929541.db2.gz UDMOKAHGCNISOC-GOSISDBHSA-N 1 0 312.457 3.900 20 10 DHCDRO Oc1c(C[NH2+]Cc2ccc3c(c2)CCO3)ccc2ccccc21 ZINC000816545566 1028930850 /nfs/dbraw/zinc/93/08/50/1028930850.db2.gz WHPJXPIQDOKTQD-UHFFFAOYSA-N 1 0 305.377 3.770 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2COc3ccccc3C2)ccc2ccccc21 ZINC000816528034 1028935711 /nfs/dbraw/zinc/93/57/11/1028935711.db2.gz JPRUDYFQKWTJII-HNNXBMFYSA-N 1 0 319.404 3.886 20 10 DHCDRO CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816561320 1028943992 /nfs/dbraw/zinc/94/39/92/1028943992.db2.gz SSLKGOARCUNRMR-HXUWFJFHSA-N 1 0 320.436 3.938 20 10 DHCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816559597 1028944774 /nfs/dbraw/zinc/94/47/74/1028944774.db2.gz OVOGLOVYTTTXOA-SFHVURJKSA-N 1 0 301.430 3.678 20 10 DHCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC000816560436 1028945047 /nfs/dbraw/zinc/94/50/47/1028945047.db2.gz OYDZUZWKHIPSQV-QZTJIDSGSA-N 1 0 313.441 3.774 20 10 DHCDRO COc1cc(F)cc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816558936 1028946334 /nfs/dbraw/zinc/94/63/34/1028946334.db2.gz RBZIUCHPOPZKIL-UHFFFAOYSA-N 1 0 311.356 3.983 20 10 DHCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816610974 1028958534 /nfs/dbraw/zinc/95/85/34/1028958534.db2.gz DVUNAHVGCGLDDT-UHFFFAOYSA-N 1 0 309.413 3.572 20 10 DHCDRO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816608978 1028959089 /nfs/dbraw/zinc/95/90/89/1028959089.db2.gz OWBKSGCEXYNDHD-QAPCUYQASA-N 1 0 310.441 3.604 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2COc3ccccc32)ccc2ccccc21 ZINC000816613616 1028964454 /nfs/dbraw/zinc/96/44/54/1028964454.db2.gz ZZBOXPJXWHEEKG-MRXNPFEDSA-N 1 0 305.377 3.811 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccccc1O ZINC000373461056 1029054223 /nfs/dbraw/zinc/05/42/23/1029054223.db2.gz UFJOVAUYZZABLF-CVEARBPZSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(O)cc1C ZINC000817363515 1029144548 /nfs/dbraw/zinc/14/45/48/1029144548.db2.gz FCIWYFZEJCDMHA-LBPRGKRZSA-N 1 0 317.351 3.874 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1O ZINC000155231711 1029205636 /nfs/dbraw/zinc/20/56/36/1029205636.db2.gz JLGLGUZYOQTLDG-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000817589857 1029217910 /nfs/dbraw/zinc/21/79/10/1029217910.db2.gz QKHPSKKDZLDWPL-ZBFHGGJFSA-N 1 0 304.503 3.937 20 10 DHCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1csc(Cl)c1 ZINC000817940741 1029281409 /nfs/dbraw/zinc/28/14/09/1029281409.db2.gz HPEHQGPMOKYBKI-NHYWBVRUSA-N 1 0 323.893 3.818 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817939107 1029281556 /nfs/dbraw/zinc/28/15/56/1029281556.db2.gz ZAVYWEXIJCDQDU-UGSOOPFHSA-N 1 0 317.864 3.757 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938940 1029284121 /nfs/dbraw/zinc/28/41/21/1029284121.db2.gz WAVHMPKXKBICCD-FOIQADDNSA-N 1 0 311.473 3.666 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000817939091 1029284957 /nfs/dbraw/zinc/28/49/57/1029284957.db2.gz YRQUSQCUMPRSDS-WOJBJXKFSA-N 1 0 311.473 3.802 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000817938631 1029285241 /nfs/dbraw/zinc/28/52/41/1029285241.db2.gz OPXQOPVOYHPBRW-YCRPNKLZSA-N 1 0 323.484 3.592 20 10 DHCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000817938108 1029285271 /nfs/dbraw/zinc/28/52/71/1029285271.db2.gz DQVGICRXSVAHHB-RDTXWAMCSA-N 1 0 323.440 3.849 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817945673 1029288197 /nfs/dbraw/zinc/28/81/97/1029288197.db2.gz JESVIGBHXAYKBZ-IINYFYTJSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817943318 1029289292 /nfs/dbraw/zinc/28/92/92/1029289292.db2.gz UJKSWHIAKNWGRI-OALUTQOASA-N 1 0 315.436 3.632 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cnn1-c1ccccc1 ZINC000817956393 1029296422 /nfs/dbraw/zinc/29/64/22/1029296422.db2.gz YCXJZSUNGSXRQR-OAHLLOKOSA-N 1 0 320.440 3.656 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1OC(F)F ZINC000817956281 1029297605 /nfs/dbraw/zinc/29/76/05/1029297605.db2.gz VPQKZZTVIMOPEJ-NSHDSACASA-N 1 0 324.346 3.903 20 10 DHCDRO COCCC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000817957949 1029297812 /nfs/dbraw/zinc/29/78/12/1029297812.db2.gz RJHHLMZEBZNJBI-IBGZPJMESA-N 1 0 316.420 3.708 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C12CCCCC2 ZINC000817958708 1029298171 /nfs/dbraw/zinc/29/81/71/1029298171.db2.gz XNSKQRAKUWUGNE-ROUUACIJSA-N 1 0 302.462 3.529 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000817956168 1029298742 /nfs/dbraw/zinc/29/87/42/1029298742.db2.gz SKYZEEJHFGXBLA-MRXNPFEDSA-N 1 0 302.418 3.777 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817966414 1029305336 /nfs/dbraw/zinc/30/53/36/1029305336.db2.gz NGWZLEPMHFMAGO-BONVTDFDSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817967662 1029308678 /nfs/dbraw/zinc/30/86/78/1029308678.db2.gz AEFNJNSHLBWKRD-SMDDNHRTSA-N 1 0 317.260 3.882 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1C ZINC000817975229 1029313259 /nfs/dbraw/zinc/31/32/59/1029313259.db2.gz RPTQSYFURASTOA-DNVCBOLYSA-N 1 0 310.441 3.547 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1 ZINC000817975539 1029314816 /nfs/dbraw/zinc/31/48/16/1029314816.db2.gz WISGDVXSOXOBIW-YJBOKZPZSA-N 1 0 310.441 3.547 20 10 DHCDRO CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983849 1029318947 /nfs/dbraw/zinc/31/89/47/1029318947.db2.gz JWJJIVOWSZAYBS-ZDUSSCGKSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCc4ccccc43)C2)cc1 ZINC000818116636 1029336214 /nfs/dbraw/zinc/33/62/14/1029336214.db2.gz NTRPIZDGWNTKIU-IERDGZPVSA-N 1 0 322.452 3.799 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cncn1C(C)C ZINC000818216769 1029354141 /nfs/dbraw/zinc/35/41/41/1029354141.db2.gz NTFXBMJOGITEGA-MRXNPFEDSA-N 1 0 314.477 3.559 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)oc3C)C2)cc1 ZINC000818220143 1029357764 /nfs/dbraw/zinc/35/77/64/1029357764.db2.gz GAILXCQFECRIAI-INIZCTEOSA-N 1 0 314.429 3.521 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342232 1029372797 /nfs/dbraw/zinc/37/27/97/1029372797.db2.gz NMLQVHATKVHABB-FRQCXROJSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C(C)(C)C)C2)cc1 ZINC000818343126 1029374346 /nfs/dbraw/zinc/37/43/46/1029374346.db2.gz YHYKGGNDCRBQDE-MNEFBYGVSA-N 1 0 316.489 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000818343231 1029374592 /nfs/dbraw/zinc/37/45/92/1029374592.db2.gz ZXNULKXLNFKRST-HZPDHXFCSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccs3)C2)cc1 ZINC000818344041 1029374707 /nfs/dbraw/zinc/37/47/07/1029374707.db2.gz IAQYTZQGJKHZNX-GJZGRUSLSA-N 1 0 316.470 3.934 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000818342073 1029375461 /nfs/dbraw/zinc/37/54/61/1029375461.db2.gz LGHOFKKMBQLFBY-LPHOPBHVSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccs3)C2)cc1 ZINC000818344040 1029375591 /nfs/dbraw/zinc/37/55/91/1029375591.db2.gz IAQYTZQGJKHZNX-CABCVRRESA-N 1 0 316.470 3.934 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3CCCC3)C2)cc1 ZINC000818343713 1029375922 /nfs/dbraw/zinc/37/59/22/1029375922.db2.gz DPQOYIRJAFMVGV-JKSUJKDBSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCC3(C)C)C2)cc1 ZINC000818345259 1029376288 /nfs/dbraw/zinc/37/62/88/1029376288.db2.gz SOHZNFWTVJCUNE-MAUKXSAKSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C(C)(C)C)C2)cc1 ZINC000818343124 1029376449 /nfs/dbraw/zinc/37/64/49/1029376449.db2.gz YHYKGGNDCRBQDE-AYOQOUSVSA-N 1 0 316.489 3.936 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000818360796 1029385014 /nfs/dbraw/zinc/38/50/14/1029385014.db2.gz QZAVDPXIRALYMT-APIJFGDWSA-N 1 0 320.864 3.626 20 10 DHCDRO COc1cc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)ccn1 ZINC000570587829 1029389033 /nfs/dbraw/zinc/38/90/33/1029389033.db2.gz RGTPUQZPBXDHOL-CQSZACIVSA-N 1 0 309.413 3.741 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3)cc2)CC1 ZINC000819038679 1029468672 /nfs/dbraw/zinc/46/86/72/1029468672.db2.gz IDDIUTFZOXZFBC-NRFANRHFSA-N 1 0 324.468 3.746 20 10 DHCDRO CC(C)(C)OC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000865697695 1029978429 /nfs/dbraw/zinc/97/84/29/1029978429.db2.gz BXKGVDWPXUBGIQ-UHFFFAOYSA-N 1 0 303.446 3.837 20 10 DHCDRO Cc1ncc([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000865703106 1029980345 /nfs/dbraw/zinc/98/03/45/1029980345.db2.gz ULQXJRHXOJCESN-URWSZGRFSA-N 1 0 301.459 3.882 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@H](C)c2cccnc2)c1 ZINC000290557553 1030106268 /nfs/dbraw/zinc/10/62/68/1030106268.db2.gz SCZDJKABHPOSEJ-CQSZACIVSA-N 1 0 300.402 3.769 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924575310 1030127203 /nfs/dbraw/zinc/12/72/03/1030127203.db2.gz UQDDZTADKHSQOI-KRWDZBQOSA-N 1 0 315.848 3.968 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000120965278 1030177623 /nfs/dbraw/zinc/17/76/23/1030177623.db2.gz SGEZHFXEXGMAGB-GOSISDBHSA-N 1 0 302.368 3.808 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245951914 1030212389 /nfs/dbraw/zinc/21/23/89/1030212389.db2.gz XFHAZDSCKUFOEO-XJKSGUPXSA-N 1 0 303.427 3.724 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc(OC)n1 ZINC000925082020 1030267356 /nfs/dbraw/zinc/26/73/56/1030267356.db2.gz SZENHPCOAQZPLP-QGZVFWFLSA-N 1 0 313.445 3.706 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823458888 1030294986 /nfs/dbraw/zinc/29/49/86/1030294986.db2.gz JHEGJAAOVJTCBM-KRWDZBQOSA-N 1 0 316.470 3.605 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000291038287 1030303728 /nfs/dbraw/zinc/30/37/28/1030303728.db2.gz YXZJLHVQCCMWLH-HZPDHXFCSA-N 1 0 307.821 3.579 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)o1 ZINC000866477978 1030313177 /nfs/dbraw/zinc/31/31/77/1030313177.db2.gz HERSKTVOQKEUHG-SNVBAGLBSA-N 1 0 310.191 3.907 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2([C@H]3CCCCO3)CCC2)c1O ZINC000866480117 1030314957 /nfs/dbraw/zinc/31/49/57/1030314957.db2.gz FIXHIQULXFZJDJ-WMLDXEAASA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1C ZINC000866565794 1030377213 /nfs/dbraw/zinc/37/72/13/1030377213.db2.gz RATRQVYIVPXJNP-LLVKDONJSA-N 1 0 309.360 3.531 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cc4cccnc4o3)ccc21 ZINC000823730432 1030385326 /nfs/dbraw/zinc/38/53/26/1030385326.db2.gz WNEQAKGQDKOYNT-UHFFFAOYSA-N 1 0 307.397 3.500 20 10 DHCDRO COCC[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823747489 1030385451 /nfs/dbraw/zinc/38/54/51/1030385451.db2.gz CAHAHOHKDXKIMH-HNNXBMFYSA-N 1 0 318.486 3.899 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000866608937 1030397427 /nfs/dbraw/zinc/39/74/27/1030397427.db2.gz IZGYDIKOGFHBNP-CYZMBNFOSA-N 1 0 315.335 3.949 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccncc3F)cc2)CC1 ZINC000823837179 1030408937 /nfs/dbraw/zinc/40/89/37/1030408937.db2.gz RBUWKGGRPINBCW-UHFFFAOYSA-N 1 0 313.420 3.747 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000866623191 1030411172 /nfs/dbraw/zinc/41/11/72/1030411172.db2.gz NSEXVHVZAHSTMX-XJKSGUPXSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000866623190 1030411647 /nfs/dbraw/zinc/41/16/47/1030411647.db2.gz NSEXVHVZAHSTMX-CZUORRHYSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634949 1030415652 /nfs/dbraw/zinc/41/56/52/1030415652.db2.gz WDALFBQHPBMXFT-ZIAGYGMSSA-N 1 0 305.809 3.818 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1 ZINC000866641437 1030418504 /nfs/dbraw/zinc/41/85/04/1030418504.db2.gz RCJGSWMZEAXQMF-CYBMUJFWSA-N 1 0 312.413 3.531 20 10 DHCDRO CC[C@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823923369 1030437942 /nfs/dbraw/zinc/43/79/42/1030437942.db2.gz POUDINHGJGVFTO-MRXNPFEDSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c1O ZINC000121218339 1030438612 /nfs/dbraw/zinc/43/86/12/1030438612.db2.gz IIVLTORTFRAEAE-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO C[C@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCCCCC2)cc1 ZINC000925770039 1030487836 /nfs/dbraw/zinc/48/78/36/1030487836.db2.gz FFNZQUWTLURBDZ-INIZCTEOSA-N 1 0 324.472 3.895 20 10 DHCDRO CCOCc1cc(C[NH2+]CCCC2CCOCC2)ccc1OC ZINC000824477297 1030561979 /nfs/dbraw/zinc/56/19/79/1030561979.db2.gz PAVWGQLRHKPEJU-UHFFFAOYSA-N 1 0 321.461 3.528 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000824779931 1030636071 /nfs/dbraw/zinc/63/60/71/1030636071.db2.gz YWIKOOFYHFYNHV-LBPRGKRZSA-N 1 0 322.202 3.737 20 10 DHCDRO COC[C@@H](C[NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000824758261 1030638189 /nfs/dbraw/zinc/63/81/89/1030638189.db2.gz QMCPYXHYVKJYIE-MRXNPFEDSA-N 1 0 319.832 3.874 20 10 DHCDRO Cc1cccnc1CCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824783373 1030651072 /nfs/dbraw/zinc/65/10/72/1030651072.db2.gz JZWIGJNGMUJRNT-UHFFFAOYSA-N 1 0 304.821 3.780 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824941759 1030678161 /nfs/dbraw/zinc/67/81/61/1030678161.db2.gz QLTDLKKPQKNMQP-HIFRSBDPSA-N 1 0 322.246 3.775 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000824954468 1030679949 /nfs/dbraw/zinc/67/99/49/1030679949.db2.gz QLMSNDNWIZJVEH-HHXXYDBFSA-N 1 0 312.413 3.748 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2cc(C)ccc2F)c1O ZINC000824978388 1030691100 /nfs/dbraw/zinc/69/11/00/1030691100.db2.gz VQAXGJVROGEMPI-UHFFFAOYSA-N 1 0 303.377 3.571 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000122419590 1030699608 /nfs/dbraw/zinc/69/96/08/1030699608.db2.gz AGEYOPYYNHTMBJ-LBPRGKRZSA-N 1 0 320.383 3.890 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000122431156 1030702415 /nfs/dbraw/zinc/70/24/15/1030702415.db2.gz SFZFKYQDIWDHBX-GOSISDBHSA-N 1 0 314.404 3.677 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(Cl)c1 ZINC001136997688 1030744856 /nfs/dbraw/zinc/74/48/56/1030744856.db2.gz KLAQQKPPAAUGLI-UHFFFAOYSA-N 1 0 303.837 3.823 20 10 DHCDRO Cc1nc(C2(NCc3cc(Cl)c(C)cc3O)CCCC2)no1 ZINC000825196928 1030754084 /nfs/dbraw/zinc/75/40/84/1030754084.db2.gz CUCKWFBFORLPCK-UHFFFAOYSA-N 1 0 321.808 3.605 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000825279865 1030765836 /nfs/dbraw/zinc/76/58/36/1030765836.db2.gz ZAJMCTXTESMTOL-GUYCJALGSA-N 1 0 319.832 3.608 20 10 DHCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000825321774 1030775693 /nfs/dbraw/zinc/77/56/93/1030775693.db2.gz NJHQWNIJAGGIGV-LJQANCHMSA-N 1 0 316.489 3.925 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000248941384 1030778669 /nfs/dbraw/zinc/77/86/69/1030778669.db2.gz YUELIGINQHCTNR-YTQUADARSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000122689336 1030825788 /nfs/dbraw/zinc/82/57/88/1030825788.db2.gz SYGBJVBFMWOQTP-MRXNPFEDSA-N 1 0 311.473 3.978 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CC2 ZINC000122691093 1030827039 /nfs/dbraw/zinc/82/70/39/1030827039.db2.gz GUPDVVVOLUTHEZ-HXUWFJFHSA-N 1 0 310.441 3.847 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc2[nH]cnc2c1 ZINC001137046646 1030832167 /nfs/dbraw/zinc/83/21/67/1030832167.db2.gz JGMBBXOTPJUSNS-UHFFFAOYSA-N 1 0 320.440 3.795 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292222382 1030888311 /nfs/dbraw/zinc/88/83/11/1030888311.db2.gz AGXJXIXCVXCCOE-GXTWGEPZSA-N 1 0 317.763 3.531 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926904980 1030979549 /nfs/dbraw/zinc/97/95/49/1030979549.db2.gz KNULWSYKBVCNCD-CHIMOYNISA-N 1 0 321.314 3.682 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000321935876 1030985095 /nfs/dbraw/zinc/98/50/95/1030985095.db2.gz WCKBWWYCINPOFG-QGZVFWFLSA-N 1 0 310.441 3.606 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000926918334 1030991570 /nfs/dbraw/zinc/99/15/70/1030991570.db2.gz ZVVSOKOROREZBR-HUBLWGQQSA-N 1 0 317.351 3.851 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000927036617 1031046360 /nfs/dbraw/zinc/04/63/60/1031046360.db2.gz KXOPCJPOCHQFNQ-CHWSQXEVSA-N 1 0 307.459 3.870 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c1O ZINC000927108147 1031095905 /nfs/dbraw/zinc/09/59/05/1031095905.db2.gz ODDOHRHKQIKGLK-LLVKDONJSA-N 1 0 319.836 3.816 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1 ZINC000322108964 1031201750 /nfs/dbraw/zinc/20/17/50/1031201750.db2.gz OCSBIDHZDPWDSP-LJQANCHMSA-N 1 0 310.441 3.626 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732729 1031321223 /nfs/dbraw/zinc/32/12/23/1031321223.db2.gz RILFYYCZEFEQPC-HIFRSBDPSA-N 1 0 315.413 3.553 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001308817602 1031342826 /nfs/dbraw/zinc/34/28/26/1031342826.db2.gz HJQLVWSKOWTIQK-LBPRGKRZSA-N 1 0 310.235 3.777 20 10 DHCDRO c1ccc2c(c1)CC[C@@H](CC[NH2+]Cc1ccc3c(c1)CCO3)N2 ZINC000844904452 1031389597 /nfs/dbraw/zinc/38/95/97/1031389597.db2.gz MRBNWBCHFOPNBE-SFHVURJKSA-N 1 0 308.425 3.528 20 10 DHCDRO CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844920217 1031402336 /nfs/dbraw/zinc/40/23/36/1031402336.db2.gz KWTMOEVFWLNFEK-GFCCVEGCSA-N 1 0 317.260 3.869 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000872030052 1031414106 /nfs/dbraw/zinc/41/41/06/1031414106.db2.gz YDLFTTMYEFIPOX-ICSRJNTNSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000872132443 1031524721 /nfs/dbraw/zinc/52/47/21/1031524721.db2.gz HSLGUUOYIBXNAC-IXDGSTSKSA-N 1 0 315.413 3.564 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000872132463 1031526017 /nfs/dbraw/zinc/52/60/17/1031526017.db2.gz FXFPKKUFKNRWFJ-XHVZSJERSA-N 1 0 301.365 3.529 20 10 DHCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1O ZINC000872259835 1031566417 /nfs/dbraw/zinc/56/64/17/1031566417.db2.gz LDQQXPXQGIGMLQ-GOSISDBHSA-N 1 0 303.446 3.878 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1 ZINC000293817950 1031637678 /nfs/dbraw/zinc/63/76/78/1031637678.db2.gz RXPJXTCPFFFYBV-GJZGRUSLSA-N 1 0 302.418 3.556 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1C ZINC000873108406 1031711725 /nfs/dbraw/zinc/71/17/25/1031711725.db2.gz XSGVOARDYPCLTN-HKUYNNGSSA-N 1 0 303.446 3.831 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cc(F)ccc1O ZINC000873238406 1031769168 /nfs/dbraw/zinc/76/91/68/1031769168.db2.gz ZNSQXANGFRYNDM-STQMWFEESA-N 1 0 300.377 3.781 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1[O-] ZINC000873260472 1031780535 /nfs/dbraw/zinc/78/05/35/1031780535.db2.gz BCPJTFSUJLJTOW-ZWUHOBOKSA-N 1 0 308.853 3.617 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C(C)C)s2)c1 ZINC000845972585 1031787953 /nfs/dbraw/zinc/78/79/53/1031787953.db2.gz PBFUSKKDRUHTCU-LLVKDONJSA-N 1 0 306.431 3.832 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000845971160 1031788483 /nfs/dbraw/zinc/78/84/83/1031788483.db2.gz HOGDFXGAMYYOPQ-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000845970907 1031788924 /nfs/dbraw/zinc/78/89/24/1031788924.db2.gz FQWGFYOFTCQENU-NSHDSACASA-N 1 0 321.804 3.919 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000845971608 1031788954 /nfs/dbraw/zinc/78/89/54/1031788954.db2.gz AKEYMYPUXQMDJS-CYBMUJFWSA-N 1 0 311.381 3.527 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000845982199 1031792105 /nfs/dbraw/zinc/79/21/05/1031792105.db2.gz HWJOKLTUJWNIQA-OAHLLOKOSA-N 1 0 323.440 3.923 20 10 DHCDRO CC[C@H](OCC[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000846018131 1031809190 /nfs/dbraw/zinc/80/91/90/1031809190.db2.gz IIMIPDJMRCPPFI-SFHVURJKSA-N 1 0 315.413 3.658 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1F ZINC000897746638 1031828601 /nfs/dbraw/zinc/82/86/01/1031828601.db2.gz QQLRHZMJTGGYSJ-YHWZYXNKSA-N 1 0 312.429 3.547 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000846035904 1031828856 /nfs/dbraw/zinc/82/88/56/1031828856.db2.gz VDUFFSVDUMINET-ZIAGYGMSSA-N 1 0 322.207 3.849 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000846040691 1031834978 /nfs/dbraw/zinc/83/49/78/1031834978.db2.gz XZUYFEQIDGXGHM-LSDHHAIUSA-N 1 0 301.789 3.585 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000846147382 1031883095 /nfs/dbraw/zinc/88/30/95/1031883095.db2.gz ULOSGWYCWSTLBQ-SUNYJGFJSA-N 1 0 321.461 3.893 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000846155256 1031886448 /nfs/dbraw/zinc/88/64/48/1031886448.db2.gz VUMRKNYTCYFCEK-XJKSGUPXSA-N 1 0 307.434 3.647 20 10 DHCDRO CCO[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846165450 1031893394 /nfs/dbraw/zinc/89/33/94/1031893394.db2.gz MLFXHDMIFUYYSH-KBXCAEBGSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)c1O ZINC000846165485 1031893813 /nfs/dbraw/zinc/89/38/13/1031893813.db2.gz ZNEHLUNAAPVLLQ-GFCCVEGCSA-N 1 0 318.442 3.896 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCNc2cccc(F)c2)c1O ZINC000846165249 1031894561 /nfs/dbraw/zinc/89/45/61/1031894561.db2.gz NOBDLSCOWXIXDP-ZDUSSCGKSA-N 1 0 318.392 3.693 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(Cc3ccc(F)cc3)CC2)c1O ZINC000846167801 1031894656 /nfs/dbraw/zinc/89/46/56/1031894656.db2.gz DWMCRHRVSQJYKT-ZDUSSCGKSA-N 1 0 315.388 3.966 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(OC)c2O)o1 ZINC000846171077 1031896639 /nfs/dbraw/zinc/89/66/39/1031896639.db2.gz QZEWGDQFIHMQNR-NSHDSACASA-N 1 0 304.390 3.501 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)c1O ZINC000846142072 1031901356 /nfs/dbraw/zinc/90/13/56/1031901356.db2.gz WEGGEACADQJADX-CYBMUJFWSA-N 1 0 315.388 3.922 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2Cl)c1O ZINC000846141512 1031903561 /nfs/dbraw/zinc/90/35/61/1031903561.db2.gz KRCPGJNKAVASBW-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCNc2ccccc2)c1O ZINC000846143808 1031904298 /nfs/dbraw/zinc/90/42/98/1031904298.db2.gz HSOYZANGWPXDQB-AWEZNQCLSA-N 1 0 300.402 3.554 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2ccc(C)cc2)c1O ZINC000846144737 1031905891 /nfs/dbraw/zinc/90/58/91/1031905891.db2.gz JXICIBFQFJYROV-OAHLLOKOSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000846143149 1031906899 /nfs/dbraw/zinc/90/68/99/1031906899.db2.gz HZUDMFQSRZKURG-VCBZYWHSSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)COc2cccc(C)c2)c1O ZINC000846148051 1031909796 /nfs/dbraw/zinc/90/97/96/1031909796.db2.gz ZEARWHYXBAXSAE-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCSc2nccs2)c1O ZINC000846147945 1031910428 /nfs/dbraw/zinc/91/04/28/1031910428.db2.gz WBZMBXKDJHQKCG-LLVKDONJSA-N 1 0 324.471 3.690 20 10 DHCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000846211036 1031910837 /nfs/dbraw/zinc/91/08/37/1031910837.db2.gz RPTWQJYOZOTAIJ-QGZVFWFLSA-N 1 0 316.489 3.880 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846184485 1031915597 /nfs/dbraw/zinc/91/55/97/1031915597.db2.gz SENSKZWEOKGZMQ-JCGVRSQUSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(Cl)cc1O ZINC000846185539 1031919810 /nfs/dbraw/zinc/91/98/10/1031919810.db2.gz APTYROHJTRQKER-LXIYXOSZSA-N 1 0 319.832 3.992 20 10 DHCDRO COc1cc(C[N@H+](C)CC2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000124666997 1031939189 /nfs/dbraw/zinc/93/91/89/1031939189.db2.gz SSNJUBPTDDVYAS-UHFFFAOYSA-N 1 0 321.461 3.557 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2cccc(Br)c2)c1O ZINC000124748783 1031954238 /nfs/dbraw/zinc/95/42/38/1031954238.db2.gz XSLACXKKLAGRDX-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO C[NH+](C)Cc1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000294389053 1031972425 /nfs/dbraw/zinc/97/24/25/1031972425.db2.gz VHWDEAAWKNRVBM-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877459519 1033307343 /nfs/dbraw/zinc/30/73/43/1033307343.db2.gz IASNPYBDSXOYGT-GOSISDBHSA-N 1 0 316.489 3.516 20 10 DHCDRO CCCN(Cc1ccc2nccnc2c1)c1ccc(C[NH3+])cc1 ZINC000877478270 1033313027 /nfs/dbraw/zinc/31/30/27/1033313027.db2.gz MMTBSPUKDNGIOL-UHFFFAOYSA-N 1 0 306.413 3.505 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3sccc32)cc1OC ZINC000137029698 1033316967 /nfs/dbraw/zinc/31/69/67/1033316967.db2.gz SODGJTBQIZVICJ-CYBMUJFWSA-N 1 0 319.426 3.638 20 10 DHCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1c(C)cccc1O ZINC000877503972 1033327385 /nfs/dbraw/zinc/32/73/85/1033327385.db2.gz YTUBCTWRHPNQTE-MRXNPFEDSA-N 1 0 301.361 3.625 20 10 DHCDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877508908 1033330960 /nfs/dbraw/zinc/33/09/60/1033330960.db2.gz FJZOKQHLMOCDNB-JXFKEZNVSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000877507969 1033331895 /nfs/dbraw/zinc/33/18/95/1033331895.db2.gz TWUFLSIOCFVSDH-KGLIPLIRSA-N 1 0 300.229 3.716 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000877533494 1033341392 /nfs/dbraw/zinc/34/13/92/1033341392.db2.gz PEHDBTHMUJFXIF-CKFHNAJUSA-N 1 0 315.413 3.828 20 10 DHCDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877547909 1033348650 /nfs/dbraw/zinc/34/86/50/1033348650.db2.gz AAXFSWFFVUDYAC-SAABIXHNSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562275 1033357959 /nfs/dbraw/zinc/35/79/59/1033357959.db2.gz QSYWINZGDQSVSA-QZTJIDSGSA-N 1 0 316.489 3.564 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000877570131 1033364247 /nfs/dbraw/zinc/36/42/47/1033364247.db2.gz CVRAMZJAGIUTTF-ZDUSSCGKSA-N 1 0 307.315 3.895 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c(O)c1 ZINC000877607520 1033379155 /nfs/dbraw/zinc/37/91/55/1033379155.db2.gz HCRMSMPTBUDFFB-HXUWFJFHSA-N 1 0 323.436 3.860 20 10 DHCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000877612018 1033382855 /nfs/dbraw/zinc/38/28/55/1033382855.db2.gz AWMCSJPHKWNKNW-PRWKNARSSA-N 1 0 319.769 3.858 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC000877666088 1033402812 /nfs/dbraw/zinc/40/28/12/1033402812.db2.gz VOTDRDGUEQOYHS-GOSISDBHSA-N 1 0 303.377 3.955 20 10 DHCDRO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(-c2cnn(C)c2)c1 ZINC000877703017 1033417088 /nfs/dbraw/zinc/41/70/88/1033417088.db2.gz ORSIBLAIBPESHD-UHFFFAOYSA-N 1 0 319.408 3.617 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1Cl ZINC000877727581 1033423353 /nfs/dbraw/zinc/42/33/53/1033423353.db2.gz CDFHMYKTTJAACS-AWEZNQCLSA-N 1 0 309.837 3.650 20 10 DHCDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1O ZINC000877757397 1033434749 /nfs/dbraw/zinc/43/47/49/1033434749.db2.gz XKOXVRNOQYCTLB-KGLIPLIRSA-N 1 0 309.413 3.940 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(N(C)C)cc1 ZINC000927069684 1033508866 /nfs/dbraw/zinc/50/88/66/1033508866.db2.gz MLTRERHTJGQEDZ-RTBURBONSA-N 1 0 314.477 3.924 20 10 DHCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173138778 1033567707 /nfs/dbraw/zinc/56/77/07/1033567707.db2.gz DGAJZQDUSOLIGK-OAHLLOKOSA-N 1 0 310.422 3.649 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(Cl)n2)c1 ZINC000878360169 1033672583 /nfs/dbraw/zinc/67/25/83/1033672583.db2.gz IIFIMMQJACUBHO-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001173439951 1033727258 /nfs/dbraw/zinc/72/72/58/1033727258.db2.gz CDBOYQLKIVZCDC-CQSZACIVSA-N 1 0 315.413 3.757 20 10 DHCDRO C[C@H](NCc1cscn1)c1ccc(N2CCCCC2)cc1 ZINC000127276584 1033791957 /nfs/dbraw/zinc/79/19/57/1033791957.db2.gz ZNVQDFNBNRUJOR-AWEZNQCLSA-N 1 0 301.459 3.984 20 10 DHCDRO Cc1nccn1CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000127422723 1033871525 /nfs/dbraw/zinc/87/15/25/1033871525.db2.gz QAUHYMFZUILUSH-UHFFFAOYSA-N 1 0 321.371 3.636 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000175980769 1034061302 /nfs/dbraw/zinc/06/13/02/1034061302.db2.gz HQOVFOLPVCTNTH-UHFFFAOYSA-N 1 0 306.431 3.581 20 10 DHCDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000879649117 1034072128 /nfs/dbraw/zinc/07/21/28/1034072128.db2.gz MASKCPPLTWUNEG-CYBMUJFWSA-N 1 0 313.397 3.844 20 10 DHCDRO Cc1nnc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)o1 ZINC000176680631 1034103439 /nfs/dbraw/zinc/10/34/39/1034103439.db2.gz XLVWTAZQAKWUME-AWEZNQCLSA-N 1 0 323.396 3.847 20 10 DHCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000863543830 1034124255 /nfs/dbraw/zinc/12/42/55/1034124255.db2.gz ZXHVAHBTWYBTJL-FHLIZLRMSA-N 1 0 319.468 3.607 20 10 DHCDRO Cc1cc(C[NH+]2CCC(OC3CCC3)CC2)ccc1N(C)C ZINC000842157135 1034202830 /nfs/dbraw/zinc/20/28/30/1034202830.db2.gz CTLQAVKEUHDBDZ-UHFFFAOYSA-N 1 0 302.462 3.595 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)ccc1N1CCCCC1 ZINC000880109304 1034215760 /nfs/dbraw/zinc/21/57/60/1034215760.db2.gz VXYONPQQRCMDTK-QGZVFWFLSA-N 1 0 324.472 3.935 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1N1CCCCC1 ZINC000880109303 1034216029 /nfs/dbraw/zinc/21/60/29/1034216029.db2.gz VXYONPQQRCMDTK-KRWDZBQOSA-N 1 0 324.472 3.935 20 10 DHCDRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050787 1034278912 /nfs/dbraw/zinc/27/89/12/1034278912.db2.gz QSBDKYUSMLRSFB-UHFFFAOYSA-N 1 0 324.415 3.511 20 10 DHCDRO CCc1cccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000864053157 1034280718 /nfs/dbraw/zinc/28/07/18/1034280718.db2.gz FLAMPZCHKPPPJW-KRWDZBQOSA-N 1 0 303.446 3.784 20 10 DHCDRO CC[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000119995169 1034321267 /nfs/dbraw/zinc/32/12/67/1034321267.db2.gz JZGIZUZVSFQYCQ-UHFFFAOYSA-N 1 0 316.470 3.607 20 10 DHCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000794663710 1034321299 /nfs/dbraw/zinc/32/12/99/1034321299.db2.gz VDFDRAFSPCZBRD-IINYFYTJSA-N 1 0 310.319 3.713 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179745848 1034333359 /nfs/dbraw/zinc/33/33/59/1034333359.db2.gz INTAVGNLGOFXIO-UHFFFAOYSA-N 1 0 324.424 3.551 20 10 DHCDRO Cc1cc(C[NH+]2CCC3(CCCCO3)CC2)ccc1N(C)C ZINC000880458297 1034335862 /nfs/dbraw/zinc/33/58/62/1034335862.db2.gz OILNAWYDSFXAAM-UHFFFAOYSA-N 1 0 302.462 3.596 20 10 DHCDRO COc1cc(C[NH+]2CCC(F)(F)CC2)c(O)c(C(C)(C)C)c1 ZINC000794687048 1034339215 /nfs/dbraw/zinc/33/92/15/1034339215.db2.gz UBUKRIGQLTZYJX-UHFFFAOYSA-N 1 0 313.388 3.929 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](SC)C3)CC2)cc1 ZINC000128463198 1034345343 /nfs/dbraw/zinc/34/53/43/1034345343.db2.gz OCDNJYIGHVVZBR-YJBOKZPZSA-N 1 0 320.502 3.538 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000183372001 1034380296 /nfs/dbraw/zinc/38/02/96/1034380296.db2.gz YZTKQWFAZJZKGB-GOEBONIOSA-N 1 0 316.470 3.941 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183415282 1034384993 /nfs/dbraw/zinc/38/49/93/1034384993.db2.gz CNZYAXPSDDGZKK-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1O ZINC000183414245 1034386245 /nfs/dbraw/zinc/38/62/45/1034386245.db2.gz CGNKOHZSHBKMPZ-CQSZACIVSA-N 1 0 312.413 3.959 20 10 DHCDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183501898 1034393435 /nfs/dbraw/zinc/39/34/35/1034393435.db2.gz NFKYPOBIUYLBIK-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3cc(C)cs3)CC2)c(C)c1 ZINC001137159769 1034449132 /nfs/dbraw/zinc/44/91/32/1034449132.db2.gz LBIVDVKVANWNCK-UHFFFAOYSA-N 1 0 316.470 3.696 20 10 DHCDRO CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C)cc1O ZINC000794798539 1034468140 /nfs/dbraw/zinc/46/81/40/1034468140.db2.gz VTNUSUFUZYCWQL-AWEZNQCLSA-N 1 0 318.383 3.626 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794801102 1034472174 /nfs/dbraw/zinc/47/21/74/1034472174.db2.gz HCVDLHFLEAMGPV-KRWDZBQOSA-N 1 0 303.377 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805562 1034490907 /nfs/dbraw/zinc/49/09/07/1034490907.db2.gz XGCDWAOABFEBAE-HKUYNNGSSA-N 1 0 313.441 3.999 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920089 1034511532 /nfs/dbraw/zinc/51/15/32/1034511532.db2.gz JHMQYLIGPKMGIB-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1O ZINC000794809229 1034518286 /nfs/dbraw/zinc/51/82/86/1034518286.db2.gz DNRFCVPVPGHATI-QZTJIDSGSA-N 1 0 324.424 3.547 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184978776 1034519775 /nfs/dbraw/zinc/51/97/75/1034519775.db2.gz QLIZZMATUVYCKP-AWEZNQCLSA-N 1 0 313.445 3.586 20 10 DHCDRO CCOCCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185071614 1034525272 /nfs/dbraw/zinc/52/52/72/1034525272.db2.gz CHQQKFPIKHHXJW-LLVKDONJSA-N 1 0 316.239 3.622 20 10 DHCDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185119548 1034530087 /nfs/dbraw/zinc/53/00/87/1034530087.db2.gz ZJWDPYREIOLPGY-VXGBXAGGSA-N 1 0 305.805 3.950 20 10 DHCDRO CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817707 1034538754 /nfs/dbraw/zinc/53/87/54/1034538754.db2.gz VCTUTZVMUDEEIB-INIZCTEOSA-N 1 0 309.413 3.828 20 10 DHCDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185338286 1034542541 /nfs/dbraw/zinc/54/25/41/1034542541.db2.gz MFTZKYOKXDMGLU-AWEZNQCLSA-N 1 0 312.413 3.552 20 10 DHCDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185337980 1034542808 /nfs/dbraw/zinc/54/28/08/1034542808.db2.gz XGLKYHGRVOWYTJ-CQSZACIVSA-N 1 0 312.413 3.552 20 10 DHCDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794827943 1034548214 /nfs/dbraw/zinc/54/82/14/1034548214.db2.gz MRJIFAZOSNHDRQ-AWEZNQCLSA-N 1 0 306.425 3.503 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000185669910 1034564761 /nfs/dbraw/zinc/56/47/61/1034564761.db2.gz KZVFGLQKWAOGKC-GXSJLCMTSA-N 1 0 303.880 3.545 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211486813 1034570341 /nfs/dbraw/zinc/57/03/41/1034570341.db2.gz BOZPLQMWOGUUFR-FZMZJTMJSA-N 1 0 310.235 3.919 20 10 DHCDRO COc1ccc(COCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185861328 1034580403 /nfs/dbraw/zinc/58/04/03/1034580403.db2.gz HSFHVMUZPAKGQG-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000186009505 1034593010 /nfs/dbraw/zinc/59/30/10/1034593010.db2.gz DJCJOLDBFWMPHX-BZNIZROVSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000186322506 1034618682 /nfs/dbraw/zinc/61/86/82/1034618682.db2.gz XXXFQEUHKZESLE-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1 ZINC000186770031 1034659776 /nfs/dbraw/zinc/65/97/76/1034659776.db2.gz UGGRPFTZGHIIJW-ZYHUDNBSSA-N 1 0 306.431 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000186796184 1034660340 /nfs/dbraw/zinc/66/03/40/1034660340.db2.gz NXMMQDRHBXKIKA-KFKAGJAMSA-N 1 0 302.462 3.631 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccncc2CC)c1 ZINC000773425718 1034678159 /nfs/dbraw/zinc/67/81/59/1034678159.db2.gz BLTLZCBCDFNHKJ-CYBMUJFWSA-N 1 0 300.402 3.599 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cnc1Cl ZINC001177553836 1035376501 /nfs/dbraw/zinc/37/65/01/1035376501.db2.gz ALQNMWBBUOOCBC-UHFFFAOYSA-N 1 0 307.800 3.538 20 10 DHCDRO COC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177536994 1035378937 /nfs/dbraw/zinc/37/89/37/1035378937.db2.gz HZYHPMQKRCCFHR-QGZVFWFLSA-N 1 0 324.468 3.621 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(F)cc2F)cc1F ZINC001177839550 1035394948 /nfs/dbraw/zinc/39/49/48/1035394948.db2.gz AFDUYCPVCIWFTA-UHFFFAOYSA-N 1 0 308.347 3.502 20 10 DHCDRO CCN(C)c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000773750572 1035436277 /nfs/dbraw/zinc/43/62/77/1035436277.db2.gz DCYPVCPAKPZENZ-UHFFFAOYSA-N 1 0 315.505 3.593 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCC(F)(F)CC2)cc1F ZINC001178561885 1035437005 /nfs/dbraw/zinc/43/70/05/1035437005.db2.gz TWZRSPMBSKTOLZ-UHFFFAOYSA-N 1 0 318.358 3.946 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000773755682 1035439827 /nfs/dbraw/zinc/43/98/27/1035439827.db2.gz MTWUAKGSCAQDNW-OAQYLSRUSA-N 1 0 324.468 3.889 20 10 DHCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178835610 1035450410 /nfs/dbraw/zinc/45/04/10/1035450410.db2.gz LBFBGFVHEQLKOT-QGZVFWFLSA-N 1 0 324.468 3.622 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000905006662 1035475408 /nfs/dbraw/zinc/47/54/08/1035475408.db2.gz QLJVQNNPEYRILP-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC001179390254 1035476649 /nfs/dbraw/zinc/47/66/49/1035476649.db2.gz FFKOXJGZINSXIM-QUCCMNQESA-N 1 0 316.489 3.828 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180042986 1035571182 /nfs/dbraw/zinc/57/11/82/1035571182.db2.gz NQJIOXOWLZKFFU-CPUCHLNUSA-N 1 0 322.880 3.883 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1c(C)noc1C ZINC000773838858 1035599001 /nfs/dbraw/zinc/59/90/01/1035599001.db2.gz NKPFVUILRJQREW-KRWDZBQOSA-N 1 0 301.434 3.988 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(O)c1 ZINC001180213505 1035623668 /nfs/dbraw/zinc/62/36/68/1035623668.db2.gz VHHNLZUIRGOMFV-MRXNPFEDSA-N 1 0 311.381 3.766 20 10 DHCDRO CCCn1cncc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001180288334 1035646304 /nfs/dbraw/zinc/64/63/04/1035646304.db2.gz DYCUXWIBNFVUMB-UHFFFAOYSA-N 1 0 313.445 3.944 20 10 DHCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001193575709 1035669100 /nfs/dbraw/zinc/66/91/00/1035669100.db2.gz SYNNBYREBVMPPQ-DNVCBOLYSA-N 1 0 304.478 3.999 20 10 DHCDRO COc1cc(C)c(C[NH2+]Cc2cccc(C(F)F)c2)c(O)c1 ZINC001180897753 1035793126 /nfs/dbraw/zinc/79/31/26/1035793126.db2.gz YYTRUDNQHYKWFW-UHFFFAOYSA-N 1 0 307.340 3.937 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000773887919 1035798802 /nfs/dbraw/zinc/79/88/02/1035798802.db2.gz JNWDYWNVCIRLTC-UHFFFAOYSA-N 1 0 309.457 3.917 20 10 DHCDRO CCc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC001181153318 1035851833 /nfs/dbraw/zinc/85/18/33/1035851833.db2.gz AZASAKQAOVPNKO-UHFFFAOYSA-N 1 0 314.385 3.537 20 10 DHCDRO Cc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1O ZINC000775639334 1036141824 /nfs/dbraw/zinc/14/18/24/1036141824.db2.gz UFNUOYAVFQXTEV-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccc(Cl)cc2)C1 ZINC001182216051 1036142724 /nfs/dbraw/zinc/14/27/24/1036142724.db2.gz LNZADFFFBPEAAB-UHFFFAOYSA-N 1 0 305.780 3.859 20 10 DHCDRO CCCCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327509 1036154315 /nfs/dbraw/zinc/15/43/15/1036154315.db2.gz WKNSLHNBWRZPPS-UHFFFAOYSA-N 1 0 315.505 3.595 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)c1 ZINC000775641757 1036157709 /nfs/dbraw/zinc/15/77/09/1036157709.db2.gz DNNMHTQFIBXEGS-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)CCOc2ccccc2Cl)c1 ZINC000775647291 1036176908 /nfs/dbraw/zinc/17/69/08/1036176908.db2.gz RJXMFRFWPOIIPS-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)CCOc2cccc(Cl)c2)c1 ZINC000775647667 1036213776 /nfs/dbraw/zinc/21/37/76/1036213776.db2.gz XOJDQLBDRZZUAL-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775657498 1036242642 /nfs/dbraw/zinc/24/26/42/1036242642.db2.gz BXTOPAAKAZRQSC-UHFFFAOYSA-N 1 0 310.869 3.598 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c1O ZINC000775655843 1036252769 /nfs/dbraw/zinc/25/27/69/1036252769.db2.gz LPPGPORYTZXISE-HXUWFJFHSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)c1 ZINC001182410801 1036270142 /nfs/dbraw/zinc/27/01/42/1036270142.db2.gz ULRCIYVASPNEOX-HXUWFJFHSA-N 1 0 311.425 3.902 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(COc3ccccc3)CC2)c1O ZINC000775659767 1036272641 /nfs/dbraw/zinc/27/26/41/1036272641.db2.gz MLPAPLOWIOHBMU-UHFFFAOYSA-N 1 0 311.425 3.992 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)ccc1N(C)C ZINC001195546836 1036281562 /nfs/dbraw/zinc/28/15/62/1036281562.db2.gz KCGWJMBRYBNKPQ-LJQANCHMSA-N 1 0 309.457 3.836 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000774379111 1036307142 /nfs/dbraw/zinc/30/71/42/1036307142.db2.gz RWYGORXKFZRVSC-APWZRJJASA-N 1 0 312.457 3.794 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000774486048 1036356053 /nfs/dbraw/zinc/35/60/53/1036356053.db2.gz UPIGDTBFCDCQPR-VMGRFDJRSA-N 1 0 315.388 3.711 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)c1O ZINC000775674655 1036381853 /nfs/dbraw/zinc/38/18/53/1036381853.db2.gz HRAJVXMKUUDQPD-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000102432757 1036514821 /nfs/dbraw/zinc/51/48/21/1036514821.db2.gz RNACPULMRZESOE-UHFFFAOYSA-N 1 0 302.462 3.976 20 10 DHCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715825 1036533219 /nfs/dbraw/zinc/53/32/19/1036533219.db2.gz LVLIZCDEVBUWAA-KBAYOESNSA-N 1 0 303.446 3.726 20 10 DHCDRO CC(C)(C)C[NH+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)(C)C ZINC000774641886 1036608658 /nfs/dbraw/zinc/60/86/58/1036608658.db2.gz HMOBHQITCULHDR-MRXNPFEDSA-N 1 0 321.461 3.712 20 10 DHCDRO Cc1cc(C[NH+]2CCC(C)(F)CC2)c(O)cc1Br ZINC001250120935 1036645863 /nfs/dbraw/zinc/64/58/63/1036645863.db2.gz VKNSEJXHLZIVDC-UHFFFAOYSA-N 1 0 316.214 3.787 20 10 DHCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001183971259 1036722256 /nfs/dbraw/zinc/72/22/56/1036722256.db2.gz FXYGHAOFCXREKO-LBPRGKRZSA-N 1 0 322.861 3.875 20 10 DHCDRO Oc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1O ZINC001203875295 1036753899 /nfs/dbraw/zinc/75/38/99/1036753899.db2.gz KLBSXCPQNOIVEK-UHFFFAOYSA-N 1 0 307.393 3.658 20 10 DHCDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000762459067 1036772142 /nfs/dbraw/zinc/77/21/42/1036772142.db2.gz ZIBRFXAJPVBSGQ-UHFFFAOYSA-N 1 0 303.446 3.695 20 10 DHCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833698 1036990330 /nfs/dbraw/zinc/99/03/30/1036990330.db2.gz KNOBMLLGHVVJKA-AUUYWEPGSA-N 1 0 316.420 3.584 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CCCOc2ccccc2)cc1F ZINC001199052618 1037189419 /nfs/dbraw/zinc/18/94/19/1037189419.db2.gz JACOPGLHMKZESO-UHFFFAOYSA-N 1 0 320.383 3.590 20 10 DHCDRO Cc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2O)o1 ZINC000775981572 1037272676 /nfs/dbraw/zinc/27/26/76/1037272676.db2.gz GHLNYBQMLXZXSL-UHFFFAOYSA-N 1 0 324.218 3.697 20 10 DHCDRO COc1cc(O)c(C[NH2+]Cc2cccc(C(C)C)c2)cc1OC ZINC000775993091 1037291724 /nfs/dbraw/zinc/29/17/24/1037291724.db2.gz AGKBCKDAFSPGKH-UHFFFAOYSA-N 1 0 315.413 3.823 20 10 DHCDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccccc2O)cc1F ZINC000761504911 1037340041 /nfs/dbraw/zinc/34/00/41/1037340041.db2.gz AOOLGGPXLZMKEA-AWEZNQCLSA-N 1 0 317.404 3.851 20 10 DHCDRO Fc1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC001199933137 1037376752 /nfs/dbraw/zinc/37/67/52/1037376752.db2.gz DZGRBDPANIKOOZ-UPHRSURJSA-N 1 0 301.336 3.703 20 10 DHCDRO Clc1cscc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000776041510 1037383723 /nfs/dbraw/zinc/38/37/23/1037383723.db2.gz KSWKSEXPSYDZGB-UHFFFAOYSA-N 1 0 322.861 3.528 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000152512441 1037384088 /nfs/dbraw/zinc/38/40/88/1037384088.db2.gz FEDWJVNHMNLVSE-ZWKOTPCHSA-N 1 0 323.484 3.930 20 10 DHCDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000776044005 1037400499 /nfs/dbraw/zinc/40/04/99/1037400499.db2.gz YWZUNPQSOOMCOG-CYBMUJFWSA-N 1 0 310.869 3.646 20 10 DHCDRO CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000105856683 1037559697 /nfs/dbraw/zinc/55/96/97/1037559697.db2.gz RZCAHEQCOYXMKM-HXUWFJFHSA-N 1 0 317.521 3.743 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1F ZINC000152870053 1037625408 /nfs/dbraw/zinc/62/54/08/1037625408.db2.gz FIHBCAQATCWAEV-UHFFFAOYSA-N 1 0 302.368 3.810 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000776179273 1037652807 /nfs/dbraw/zinc/65/28/07/1037652807.db2.gz POFXMPSGTRIGCH-LJQANCHMSA-N 1 0 315.413 3.824 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000775130565 1037655617 /nfs/dbraw/zinc/65/56/17/1037655617.db2.gz LYFSTHLOKHVEGA-SNVBAGLBSA-N 1 0 306.749 3.805 20 10 DHCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC001201427394 1037666066 /nfs/dbraw/zinc/66/60/66/1037666066.db2.gz MATXTYJBMCYBQY-QGZVFWFLSA-N 1 0 300.446 3.564 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C(C)(C)Cc2ccccc2OC)c1 ZINC000776174287 1037677811 /nfs/dbraw/zinc/67/78/11/1037677811.db2.gz GZVSZVUOZUEWMG-UHFFFAOYSA-N 1 0 315.413 3.520 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCCC[C@H]2C)cc1OC ZINC000776175750 1037678794 /nfs/dbraw/zinc/67/87/94/1037678794.db2.gz ZNUDEYUMNAHNTF-ZIAGYGMSSA-N 1 0 307.434 3.715 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC000775135062 1037684294 /nfs/dbraw/zinc/68/42/94/1037684294.db2.gz CUFLTZZDCDTTIY-ZDUSSCGKSA-N 1 0 300.402 3.815 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000763389300 1037812154 /nfs/dbraw/zinc/81/21/54/1037812154.db2.gz BTVCEBHUDQGVDM-LBPRGKRZSA-N 1 0 321.804 3.611 20 10 DHCDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000130657057 1037826296 /nfs/dbraw/zinc/82/62/96/1037826296.db2.gz VDBSDUXLOLOVBK-APWZRJJASA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201872537 1037922904 /nfs/dbraw/zinc/92/29/04/1037922904.db2.gz LTLALLUIIJRKPS-DYESRHJHSA-N 1 0 324.468 3.889 20 10 DHCDRO Cc1ccc(-c2nc(C[NH2+]Cc3cccc(C)c3O)co2)cc1 ZINC000776221546 1037924687 /nfs/dbraw/zinc/92/46/87/1037924687.db2.gz WUGGHJRCUPUPAA-UHFFFAOYSA-N 1 0 308.381 3.954 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000776230154 1037974753 /nfs/dbraw/zinc/97/47/53/1037974753.db2.gz HALQVUIEZKHMDP-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000776251267 1038069555 /nfs/dbraw/zinc/06/95/55/1038069555.db2.gz TUFXCCCXOIPDKZ-UHFFFAOYSA-N 1 0 317.772 3.553 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000775503672 1038598278 /nfs/dbraw/zinc/59/82/78/1038598278.db2.gz LZIQBYXFPHVROO-ZBFHGGJFSA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775503881 1038598872 /nfs/dbraw/zinc/59/88/72/1038598872.db2.gz OTOSSOQOPLODQO-GFCCVEGCSA-N 1 0 324.774 3.580 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000780528929 1038941424 /nfs/dbraw/zinc/94/14/24/1038941424.db2.gz ZKWWUYAAZYGDOL-PBHICJAKSA-N 1 0 315.388 3.966 20 10 DHCDRO Cc1ccsc1C[NH2+]Cc1cc(Br)ccc1O ZINC000227440553 1040262929 /nfs/dbraw/zinc/26/29/29/1040262929.db2.gz ILNDIBBXGSWWDI-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227715738 1040409125 /nfs/dbraw/zinc/40/91/25/1040409125.db2.gz NNOCVSRMSRUATH-KGLIPLIRSA-N 1 0 322.449 3.655 20 10 DHCDRO Oc1ccc(CCNc2ccnc3cc(Cl)ccc32)cc1O ZINC000169305423 1040465299 /nfs/dbraw/zinc/46/52/99/1040465299.db2.gz DWSNZLLFABJSRZ-UHFFFAOYSA-N 1 0 314.772 3.954 20 10 DHCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761216789 1040684151 /nfs/dbraw/zinc/68/41/51/1040684151.db2.gz XMCPCBBCOOIEDE-NSHDSACASA-N 1 0 320.820 3.862 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1cccc(F)c1Br ZINC000228416304 1040859414 /nfs/dbraw/zinc/85/94/14/1040859414.db2.gz NFFOKBCJMZLIJI-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000228793421 1041178776 /nfs/dbraw/zinc/17/87/76/1041178776.db2.gz OBXKQSABUGMOLL-UKRRQHHQSA-N 1 0 322.449 3.592 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000079443617 185171926 /nfs/dbraw/zinc/17/19/26/185171926.db2.gz CGLHBFNWILFCFP-INIZCTEOSA-N 1 0 322.405 3.605 20 10 DHCDRO COc1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)c1O ZINC000092736132 185337656 /nfs/dbraw/zinc/33/76/56/185337656.db2.gz CRVTYXBRWMHEJE-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(O)c1 ZINC000093438336 193251355 /nfs/dbraw/zinc/25/13/55/193251355.db2.gz LWIBWNCJEOFFAB-KRWDZBQOSA-N 1 0 315.417 3.631 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000272843578 130068499 /nfs/dbraw/zinc/06/84/99/130068499.db2.gz JWUKIAOHLVSULU-BONVTDFDSA-N 1 0 309.768 3.569 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000273399562 130117373 /nfs/dbraw/zinc/11/73/73/130117373.db2.gz MUECHDKBYMRWRJ-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc2c(cc1O)CCCC2 ZINC000273527087 130132744 /nfs/dbraw/zinc/13/27/44/130132744.db2.gz VNHPKJGONPXUMW-SJCJKPOMSA-N 1 0 311.429 3.722 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000273537034 130133996 /nfs/dbraw/zinc/13/39/96/130133996.db2.gz XQHRVAJHUJVBQK-GJZGRUSLSA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1ncc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273590144 130142574 /nfs/dbraw/zinc/14/25/74/130142574.db2.gz OWJUWCBZQUOGIP-NSHDSACASA-N 1 0 302.443 3.887 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273595101 130142581 /nfs/dbraw/zinc/14/25/81/130142581.db2.gz QHKCAWDUFDOWLM-DGCLKSJQSA-N 1 0 302.418 3.896 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c(O)c1C ZINC000273606695 130143204 /nfs/dbraw/zinc/14/32/04/130143204.db2.gz UHUPEYGKNSYMJP-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273603172 130143592 /nfs/dbraw/zinc/14/35/92/130143592.db2.gz SLYMTLBYRZLBEH-OAHLLOKOSA-N 1 0 301.434 3.645 20 10 DHCDRO CCOCc1cc(C[NH2+]CCCCCSC)ccc1OC ZINC000274761198 130259708 /nfs/dbraw/zinc/25/97/08/130259708.db2.gz GXLWTCQAVFJCRF-UHFFFAOYSA-N 1 0 311.491 3.855 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccccc1O ZINC000274959958 130276984 /nfs/dbraw/zinc/27/69/84/130276984.db2.gz WJVQVWZVLUEMPF-ULFGMLNVSA-N 1 0 303.377 3.694 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284033395 131042470 /nfs/dbraw/zinc/04/24/70/131042470.db2.gz JJTRXYXGCSYJQW-HNNXBMFYSA-N 1 0 301.434 3.645 20 10 DHCDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000286931976 131256617 /nfs/dbraw/zinc/25/66/17/131256617.db2.gz ASPAFMYANLQFAC-ZDUSSCGKSA-N 1 0 314.385 3.730 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(Cl)cc3c1OCC3)CC2 ZINC000296490655 131966589 /nfs/dbraw/zinc/96/65/89/131966589.db2.gz PORAVQHQPHQZIJ-OAHLLOKOSA-N 1 0 315.800 3.758 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000297229031 132005455 /nfs/dbraw/zinc/00/54/55/132005455.db2.gz HSTRIKOUSBVDPZ-RYUDHWBXSA-N 1 0 305.340 3.709 20 10 DHCDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297698105 132029624 /nfs/dbraw/zinc/02/96/24/132029624.db2.gz MFMJZIBVBOMBPI-CQSZACIVSA-N 1 0 303.789 3.831 20 10 DHCDRO Cc1cccc2oc(CC[NH2+][C@H]3CCc4cccc(O)c43)nc21 ZINC000297725637 132031177 /nfs/dbraw/zinc/03/11/77/132031177.db2.gz NKCPYNSKUGIOQG-AWEZNQCLSA-N 1 0 308.381 3.661 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000297941678 132041549 /nfs/dbraw/zinc/04/15/49/132041549.db2.gz YCMJCCKYPSBGJS-POAQFYNOSA-N 1 0 309.409 3.889 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(-n2cccn2)cc1 ZINC000297957758 132042248 /nfs/dbraw/zinc/04/22/48/132042248.db2.gz ZCARLVYRJRSGAQ-RDTXWAMCSA-N 1 0 319.408 3.916 20 10 DHCDRO C[NH+]1CCC(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000105454240 332989906 /nfs/dbraw/zinc/98/99/06/332989906.db2.gz QBJHXTUKXLLJQL-UHFFFAOYSA-N 1 0 317.260 3.521 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294028551 335117059 /nfs/dbraw/zinc/11/70/59/335117059.db2.gz FJPYDCPZODDGFH-VQIMIIECSA-N 1 0 313.441 3.817 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc1 ZINC000178716342 333142653 /nfs/dbraw/zinc/14/26/53/333142653.db2.gz XOZJUJQUSNEMHT-KBPBESRZSA-N 1 0 300.450 3.596 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000184990427 333203220 /nfs/dbraw/zinc/20/32/20/333203220.db2.gz ZBEIEEYDVRJJJE-CYBMUJFWSA-N 1 0 303.377 3.919 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000185398029 333208177 /nfs/dbraw/zinc/20/81/77/333208177.db2.gz OTYSMXODXNETIH-CQSZACIVSA-N 1 0 300.402 3.735 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000295029774 335129721 /nfs/dbraw/zinc/12/97/21/335129721.db2.gz NTSZSHSICZKLEK-JQWIXIFHSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119701079 333256915 /nfs/dbraw/zinc/25/69/15/333256915.db2.gz DNHRTZVSIAWRCI-NEPJUHHUSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000295938345 335138750 /nfs/dbraw/zinc/13/87/50/335138750.db2.gz GDXGMYHQYVTJTJ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296182077 335140500 /nfs/dbraw/zinc/14/05/00/335140500.db2.gz XWQNENVHMRJBOX-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296447624 335142255 /nfs/dbraw/zinc/14/22/55/335142255.db2.gz OBDARMPVMMFSGM-CQSZACIVSA-N 1 0 322.468 3.701 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c(O)c1 ZINC000194374743 338516614 /nfs/dbraw/zinc/51/66/14/338516614.db2.gz KRJSQJXHGMROTE-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000192899841 336282264 /nfs/dbraw/zinc/28/22/64/336282264.db2.gz KIVUEZBYCFYNJP-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214696 336840356 /nfs/dbraw/zinc/84/03/56/336840356.db2.gz ZUYPNPYEHAQDFI-IINYFYTJSA-N 1 0 305.324 3.763 20 10 DHCDRO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000373267457 336954939 /nfs/dbraw/zinc/95/49/39/336954939.db2.gz KXDDRUCOOJBGQP-BBRMVZONSA-N 1 0 313.397 3.884 20 10 DHCDRO CN1CCc2cc(C[NH2+]Cc3cnc(C(C)(C)C)s3)ccc21 ZINC000373520850 336963533 /nfs/dbraw/zinc/96/35/33/336963533.db2.gz JMSUZDWSJFCXQG-UHFFFAOYSA-N 1 0 315.486 3.723 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(C)cc1O ZINC000373522981 336963558 /nfs/dbraw/zinc/96/35/58/336963558.db2.gz OGQJXFGRMMDNQK-UHOSZYNNSA-N 1 0 303.446 3.947 20 10 DHCDRO CC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C)cc1O ZINC000373522707 336963659 /nfs/dbraw/zinc/96/36/59/336963659.db2.gz NWUVLYKIZOBXPY-HTWSVDAQSA-N 1 0 302.462 3.758 20 10 DHCDRO O=C(c1cccs1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000374877162 336998632 /nfs/dbraw/zinc/99/86/32/336998632.db2.gz DPNAUGSICVEJAX-UHFFFAOYSA-N 1 0 319.401 3.688 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377641772 337057172 /nfs/dbraw/zinc/05/71/72/337057172.db2.gz AVBUBJAKGIZWHX-SMDDNHRTSA-N 1 0 304.415 3.755 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000377696689 337058690 /nfs/dbraw/zinc/05/86/90/337058690.db2.gz LEJTXCGTIBHNPY-UHFFFAOYSA-N 1 0 302.805 3.820 20 10 DHCDRO CCOc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1O ZINC000378049223 337065665 /nfs/dbraw/zinc/06/56/65/337065665.db2.gz RFOVQYDCOMGTML-UHFFFAOYSA-N 1 0 319.445 3.620 20 10 DHCDRO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000378164321 337067482 /nfs/dbraw/zinc/06/74/82/337067482.db2.gz NLWGIRZNNPRQLF-GOSISDBHSA-N 1 0 310.445 3.567 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406251 337072122 /nfs/dbraw/zinc/07/21/22/337072122.db2.gz UPSCRCBYJBDWNV-QRWLVFNGSA-N 1 0 309.457 3.590 20 10 DHCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000194172521 337082320 /nfs/dbraw/zinc/08/23/20/337082320.db2.gz JJYUINONMFGXPH-ZIAGYGMSSA-N 1 0 314.429 3.501 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000180392208 337174036 /nfs/dbraw/zinc/17/40/36/337174036.db2.gz MPTIFMWBJNXCJN-KDOFPFPSSA-N 1 0 323.440 3.529 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183551532 337192140 /nfs/dbraw/zinc/19/21/40/337192140.db2.gz VQIMMWMPGJTSBG-STQMWFEESA-N 1 0 318.367 3.600 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c1 ZINC000359973620 337441116 /nfs/dbraw/zinc/44/11/16/337441116.db2.gz LTVTXMAWFYDKJP-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)c2ccccc21 ZINC000359999629 337441625 /nfs/dbraw/zinc/44/16/25/337441625.db2.gz OTGWUXARXLYHTQ-CXAGYDPISA-N 1 0 310.397 3.541 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248734894 337567026 /nfs/dbraw/zinc/56/70/26/337567026.db2.gz DNEUWJQVCPZCKK-UCLAIMLFSA-N 1 0 302.462 3.751 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccccc1O ZINC000528043638 337785538 /nfs/dbraw/zinc/78/55/38/337785538.db2.gz OSLXLJAVASXHQE-LPHOPBHVSA-N 1 0 312.413 3.988 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C2CC2)cn1 ZINC000528043817 337785583 /nfs/dbraw/zinc/78/55/83/337785583.db2.gz QIFWZUYQKVJXGM-BFUOFWGJSA-N 1 0 312.413 3.906 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000441380193 338411114 /nfs/dbraw/zinc/41/11/14/338411114.db2.gz QDXXYMWUQSYWMU-UHFFFAOYSA-N 1 0 322.334 3.518 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2cc(C)ccn12 ZINC000475193949 339440947 /nfs/dbraw/zinc/44/09/47/339440947.db2.gz DINXWCUTPUKTMZ-UHFFFAOYSA-N 1 0 318.424 3.733 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000475198922 339441214 /nfs/dbraw/zinc/44/12/14/339441214.db2.gz RQYJLXKPXZARLZ-HNNXBMFYSA-N 1 0 324.472 3.985 20 10 DHCDRO COc1cccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1OC ZINC000475198908 339441225 /nfs/dbraw/zinc/44/12/25/339441225.db2.gz RNVOSAIEFVRMRU-UHFFFAOYSA-N 1 0 324.424 3.794 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000479460014 339536240 /nfs/dbraw/zinc/53/62/40/339536240.db2.gz IVMJZVZBXXZFHE-PWIZWCRZSA-N 1 0 324.468 3.924 20 10 DHCDRO CC(C)OCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184863184 519764542 /nfs/dbraw/zinc/76/45/42/519764542.db2.gz XNLWIZBGSQSYGI-NSHDSACASA-N 1 0 316.239 3.620 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161930171 520288710 /nfs/dbraw/zinc/28/87/10/520288710.db2.gz JXUNQNKHPYKTQC-RNJTYBCJSA-N 1 0 302.462 3.607 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161930334 520289670 /nfs/dbraw/zinc/28/96/70/520289670.db2.gz JXUNQNKHPYKTQC-RUGDWHBFSA-N 1 0 302.462 3.607 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191124611 521155733 /nfs/dbraw/zinc/15/57/33/521155733.db2.gz GVNGSZGSRHOQHG-INIZCTEOSA-N 1 0 317.360 3.543 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000191126465 521375911 /nfs/dbraw/zinc/37/59/11/521375911.db2.gz TVROIDHCIMPKOA-HNNXBMFYSA-N 1 0 317.360 3.543 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1O ZINC000156869352 522574345 /nfs/dbraw/zinc/57/43/45/522574345.db2.gz BSAXQIKKQLFULX-PKOBYXMFSA-N 1 0 311.425 3.947 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161981206 522954223 /nfs/dbraw/zinc/95/42/23/522954223.db2.gz WJUZOHCMDPTQOD-MHORFTMASA-N 1 0 302.462 3.607 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614509 523104544 /nfs/dbraw/zinc/10/45/44/523104544.db2.gz UMLMTZRKEKHVDW-HIFRSBDPSA-N 1 0 305.809 3.640 20 10 DHCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185012462 524045743 /nfs/dbraw/zinc/04/57/43/524045743.db2.gz NKBKWWJMECYPNI-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000158135820 524404334 /nfs/dbraw/zinc/40/43/34/524404334.db2.gz RTYKGDPXHUFMOR-HNNXBMFYSA-N 1 0 314.429 3.916 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000182190772 524750511 /nfs/dbraw/zinc/75/05/11/524750511.db2.gz JEJHYMJXFCHGPV-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)ccc2OC)c1 ZINC000182315160 524772183 /nfs/dbraw/zinc/77/21/83/524772183.db2.gz YOQWKTOJGYLYBH-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177778895 525386408 /nfs/dbraw/zinc/38/64/08/525386408.db2.gz WANISZRSQBIEQI-CYBMUJFWSA-N 1 0 318.436 3.502 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000161429154 525402210 /nfs/dbraw/zinc/40/22/10/525402210.db2.gz QHCUBUNAEGSPIV-OAHLLOKOSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000129475801 525479794 /nfs/dbraw/zinc/47/97/94/525479794.db2.gz VUCAOEPNLKKJMV-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124386731 525602160 /nfs/dbraw/zinc/60/21/60/525602160.db2.gz OYXTZSJWURIITI-TYILLQQXSA-N 1 0 316.420 3.664 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000127139043 525645720 /nfs/dbraw/zinc/64/57/20/525645720.db2.gz DSTXDZWILKMAGD-NVXWUHKLSA-N 1 0 302.462 3.895 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c(O)c1 ZINC000365154443 525948223 /nfs/dbraw/zinc/94/82/23/525948223.db2.gz GPCFVITWYPCATD-DKICVRJWSA-N 1 0 311.425 3.647 20 10 DHCDRO COc1cccc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1O ZINC000237374408 526016020 /nfs/dbraw/zinc/01/60/20/526016020.db2.gz VDSMHQIWHLAWDZ-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000266184685 526021304 /nfs/dbraw/zinc/02/13/04/526021304.db2.gz WKYJVBITCGXMLK-INIZCTEOSA-N 1 0 321.804 3.532 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cc(C)nn2C)cc1 ZINC000284104234 535327523 /nfs/dbraw/zinc/32/75/23/535327523.db2.gz WKURKELPNVGMOG-UHFFFAOYSA-N 1 0 314.477 3.645 20 10 DHCDRO CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286346354 535802718 /nfs/dbraw/zinc/80/27/18/535802718.db2.gz YOSGXFJVRLYLMN-MRXNPFEDSA-N 1 0 308.441 3.835 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000274916817 535804903 /nfs/dbraw/zinc/80/49/03/535804903.db2.gz OLDSHYQZOUOQNA-ZBFHGGJFSA-N 1 0 323.795 3.959 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624384 536808852 /nfs/dbraw/zinc/80/88/52/536808852.db2.gz YXECOIWOUJZUOS-WMLDXEAASA-N 1 0 302.418 3.774 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000273390352 536896934 /nfs/dbraw/zinc/89/69/34/536896934.db2.gz KOIHEQSAVPJKNF-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)CC2 ZINC000296031277 1013197672 /nfs/dbraw/zinc/19/76/72/1013197672.db2.gz QDDPXJDGIALQTB-MOPGFXCFSA-N 1 0 322.452 3.806 20 10 DHCDRO COC1CCN(c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000296233020 1013202263 /nfs/dbraw/zinc/20/22/63/1013202263.db2.gz DYLPUFSLKXMHFX-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000296633483 1013212826 /nfs/dbraw/zinc/21/28/26/1013212826.db2.gz BOENPXLERXLWAT-UONOGXRCSA-N 1 0 322.449 3.736 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccccc1O ZINC000155240367 1013319285 /nfs/dbraw/zinc/31/92/85/1013319285.db2.gz YIYWSZIXFYKJHM-KRWDZBQOSA-N 1 0 313.445 3.874 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000319956901 1013396110 /nfs/dbraw/zinc/39/61/10/1013396110.db2.gz UXTJZYFWDMOGCH-OAHLLOKOSA-N 1 0 314.429 3.814 20 10 DHCDRO Cc1cccc2c1CC[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000729466422 1013458265 /nfs/dbraw/zinc/45/82/65/1013458265.db2.gz URLUDKFCHWCGDS-UHFFFAOYSA-N 1 0 304.393 3.807 20 10 DHCDRO C[N@H+](C/C=C\c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000255058130 1013579643 /nfs/dbraw/zinc/57/96/43/1013579643.db2.gz JHAKOJBERYAVFH-YVMONPNESA-N 1 0 322.452 3.668 20 10 DHCDRO COCC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294603722 1032078599 /nfs/dbraw/zinc/07/85/99/1032078599.db2.gz NTKLULZKQSHFOT-INIZCTEOSA-N 1 0 302.418 3.521 20 10 DHCDRO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(O)cc1C ZINC000160383382 1014036815 /nfs/dbraw/zinc/03/68/15/1014036815.db2.gz KSXPHGRUMMXLFQ-YOEHRIQHSA-N 1 0 307.459 3.569 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000280811167 1014231718 /nfs/dbraw/zinc/23/17/18/1014231718.db2.gz UITBMYFGDRUKLN-MQMHXKEQSA-N 1 0 301.361 3.576 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)o1 ZINC000866479116 1030314799 /nfs/dbraw/zinc/31/47/99/1030314799.db2.gz PVJHSJKFKUXNSK-SNVBAGLBSA-N 1 0 310.191 3.907 20 10 DHCDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccccc1O ZINC000237182430 1014316580 /nfs/dbraw/zinc/31/65/80/1014316580.db2.gz NJIKTVWUYPEIRS-CQSZACIVSA-N 1 0 317.454 3.919 20 10 DHCDRO Cc1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167434073 1014346361 /nfs/dbraw/zinc/34/63/61/1014346361.db2.gz AJARKHMMNKMDAE-UHFFFAOYSA-N 1 0 309.457 3.667 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000760040929 1014372835 /nfs/dbraw/zinc/37/28/35/1014372835.db2.gz MXFZPCAKLJBMAZ-KSSFIOAISA-N 1 0 318.436 3.646 20 10 DHCDRO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000320701246 1014469802 /nfs/dbraw/zinc/46/98/02/1014469802.db2.gz IKGCGYAYSZLHHH-CYBMUJFWSA-N 1 0 318.392 3.645 20 10 DHCDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000289908494 1014669991 /nfs/dbraw/zinc/66/99/91/1014669991.db2.gz UGBYVOIMDOXRLQ-INIZCTEOSA-N 1 0 312.461 3.651 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)CC(F)(F)F)c1O ZINC000895360696 1015098299 /nfs/dbraw/zinc/09/82/99/1015098299.db2.gz VMKUIUHMHJBLLN-UHFFFAOYSA-N 1 0 305.340 3.777 20 10 DHCDRO COc1ccc(F)cc1CNc1cc(C[NH+](C)C)ccc1OC ZINC000324014458 1015107084 /nfs/dbraw/zinc/10/70/84/1015107084.db2.gz QALJGHUCFHRXBW-UHFFFAOYSA-N 1 0 318.392 3.517 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705483 1015265029 /nfs/dbraw/zinc/26/50/29/1015265029.db2.gz CJSYKPQDRACCQT-LJQANCHMSA-N 1 0 321.424 3.682 20 10 DHCDRO CCc1cc(C[N@H+]2CCOC[C@H]2CC)c(O)c(C(C)(C)C)c1 ZINC000738085245 1015396419 /nfs/dbraw/zinc/39/64/19/1015396419.db2.gz RWLVCSKEHAPNOM-MRXNPFEDSA-N 1 0 305.462 3.863 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000320270249 1015490910 /nfs/dbraw/zinc/49/09/10/1015490910.db2.gz TWGGHQTXVVKJMX-YZVOILCLSA-N 1 0 320.477 3.562 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896224692 1015506362 /nfs/dbraw/zinc/50/63/62/1015506362.db2.gz NEAMCNCUWXRIKX-AWEZNQCLSA-N 1 0 317.326 3.821 20 10 DHCDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178269233 1015543251 /nfs/dbraw/zinc/54/32/51/1015543251.db2.gz PNJMQXMCMHJGRW-CQSZACIVSA-N 1 0 306.425 3.646 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c(O)c1OC ZINC000891781563 1015614933 /nfs/dbraw/zinc/61/49/33/1015614933.db2.gz JFEODKXRHMXNEN-HNNXBMFYSA-N 1 0 305.418 3.564 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834835 1016388797 /nfs/dbraw/zinc/38/87/97/1016388797.db2.gz HQELEWFFLLJIOV-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281292960 1016452460 /nfs/dbraw/zinc/45/24/60/1016452460.db2.gz QQIXWSPTBFIUJU-GOSISDBHSA-N 1 0 317.383 3.667 20 10 DHCDRO CCOCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000184990112 1016483681 /nfs/dbraw/zinc/48/36/81/1016483681.db2.gz JDMFRWOSCKTVKO-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N(C)c2ccccc2)c1 ZINC000185024988 1016502072 /nfs/dbraw/zinc/50/20/72/1016502072.db2.gz IOWJZYGTZAHALQ-GJZGRUSLSA-N 1 0 314.429 3.576 20 10 DHCDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2ccccc2c1O ZINC000185015569 1016505293 /nfs/dbraw/zinc/50/52/93/1016505293.db2.gz GXIAZISDKFBYHP-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC000185103870 1016565719 /nfs/dbraw/zinc/56/57/19/1016565719.db2.gz DFAWFMBITTXTAR-STQMWFEESA-N 1 0 303.377 3.822 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1 ZINC000846972954 1032151073 /nfs/dbraw/zinc/15/10/73/1032151073.db2.gz ZBTYIHRHPJUTSI-GOSISDBHSA-N 1 0 309.457 3.836 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1cncc(F)c1 ZINC000840770523 1016941087 /nfs/dbraw/zinc/94/10/87/1016941087.db2.gz RYHNFHUUJMMBIQ-PKFCDNJMSA-N 1 0 304.340 3.965 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475189315 1017043091 /nfs/dbraw/zinc/04/30/91/1017043091.db2.gz GGLNNDBYJRMXKW-GOSISDBHSA-N 1 0 322.452 3.834 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1C ZINC000295099507 1032274227 /nfs/dbraw/zinc/27/42/27/1032274227.db2.gz SMLNKOSRQPRRJE-UHFFFAOYSA-N 1 0 310.319 3.713 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)OCO2 ZINC000054569571 1032413877 /nfs/dbraw/zinc/41/38/77/1032413877.db2.gz NFMUXZQDBCFVLH-OAHLLOKOSA-N 1 0 315.344 3.597 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000073007625 1017086838 /nfs/dbraw/zinc/08/68/38/1017086838.db2.gz KYIUZMCANIRGQA-ZDUSSCGKSA-N 1 0 301.434 3.988 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000091955484 1032466409 /nfs/dbraw/zinc/46/64/09/1032466409.db2.gz RBCZWFGPOZSLRQ-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000185682591 1017093554 /nfs/dbraw/zinc/09/35/54/1017093554.db2.gz OXIGFDDAXNAHBZ-OXJNMPFZSA-N 1 0 311.473 3.534 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000192848072 1017098992 /nfs/dbraw/zinc/09/89/92/1017098992.db2.gz CDCYSCUCRPWWJZ-BLLLJJGKSA-N 1 0 313.401 3.685 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000773007450 1032522134 /nfs/dbraw/zinc/52/21/34/1032522134.db2.gz GHLNPWCUKQSPFB-AUUYWEPGSA-N 1 0 316.420 3.666 20 10 DHCDRO CC(C)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000773045872 1032538729 /nfs/dbraw/zinc/53/87/29/1032538729.db2.gz YFHGCQAYAYNFMC-OAHLLOKOSA-N 1 0 320.452 3.749 20 10 DHCDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773086079 1032555230 /nfs/dbraw/zinc/55/52/30/1032555230.db2.gz YCKALHCPDXYLRK-VQIMIIECSA-N 1 0 303.494 3.666 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773100843 1032559359 /nfs/dbraw/zinc/55/93/59/1032559359.db2.gz GAFXDHOAHDXOGE-LEWJYISDSA-N 1 0 324.468 3.627 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773103486 1032559615 /nfs/dbraw/zinc/55/96/15/1032559615.db2.gz JLNJVWIGNLZNBA-RHSMWYFYSA-N 1 0 320.452 3.628 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccc(N(C)C)cc1 ZINC000773104125 1032560353 /nfs/dbraw/zinc/56/03/53/1032560353.db2.gz FNUAGANZFRWWPM-ROUUACIJSA-N 1 0 306.494 3.836 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108372 1032562156 /nfs/dbraw/zinc/56/21/56/1032562156.db2.gz XAACTEMVYBGURO-HRAATJIYSA-N 1 0 323.484 3.980 20 10 DHCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160177445 1011934561 /nfs/dbraw/zinc/93/45/61/1011934561.db2.gz VBAIJHOSTLGWGG-MRXNPFEDSA-N 1 0 317.454 3.943 20 10 DHCDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000261908520 1012061482 /nfs/dbraw/zinc/06/14/82/1012061482.db2.gz ZLNALNGGHAGUIW-CYBMUJFWSA-N 1 0 324.428 3.603 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2Cl)c1O ZINC000036936667 1032624052 /nfs/dbraw/zinc/62/40/52/1032624052.db2.gz UAJMENDARRYUMR-LBPRGKRZSA-N 1 0 305.805 3.775 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc2c(c1)OCO2 ZINC000036982025 1032624600 /nfs/dbraw/zinc/62/46/00/1032624600.db2.gz KTFMHWMITYGSEK-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000035628901 1012455276 /nfs/dbraw/zinc/45/52/76/1012455276.db2.gz MBZQRRLAHMYZAD-HIFRSBDPSA-N 1 0 304.459 3.716 20 10 DHCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000776955915 1032663061 /nfs/dbraw/zinc/66/30/61/1032663061.db2.gz YIMOTPCKUVPLGM-CVEARBPZSA-N 1 0 308.441 3.575 20 10 DHCDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185706376 1017121258 /nfs/dbraw/zinc/12/12/58/1017121258.db2.gz BYDHIJKZZGRKRZ-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000115629321 1032682982 /nfs/dbraw/zinc/68/29/82/1032682982.db2.gz ORRUMRMBRSBBFS-UHFFFAOYSA-N 1 0 320.383 3.952 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2SC)c1O ZINC000281996228 1017204093 /nfs/dbraw/zinc/20/40/93/1017204093.db2.gz LREIKTJTLKRLQF-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Br)ccc1O ZINC000840859636 1017207578 /nfs/dbraw/zinc/20/75/78/1017207578.db2.gz LDVNJSLMNICEHQ-KKZNHRDASA-N 1 0 316.264 3.699 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916507 1017226885 /nfs/dbraw/zinc/22/68/85/1017226885.db2.gz MPIHYGWXOUNNGR-DLBZAZTESA-N 1 0 314.429 3.863 20 10 DHCDRO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)ccc1O ZINC000716296093 1032691020 /nfs/dbraw/zinc/69/10/20/1032691020.db2.gz KBNUQDGOGDEDBG-NVPAJSRCSA-N 1 0 315.388 3.930 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)ccc1OC ZINC000840961169 1017591800 /nfs/dbraw/zinc/59/18/00/1017591800.db2.gz RUTSSAPMHBVSBV-KUHUBIRLSA-N 1 0 321.461 3.525 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979687 1017593755 /nfs/dbraw/zinc/59/37/55/1017593755.db2.gz LUFAYQQTRZOJLC-KBPBESRZSA-N 1 0 322.449 3.655 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000186033638 1017649936 /nfs/dbraw/zinc/64/99/36/1017649936.db2.gz ZFMATKKPRAVLTF-CYBMUJFWSA-N 1 0 316.470 3.929 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000186084590 1017688931 /nfs/dbraw/zinc/68/89/31/1017688931.db2.gz RBKZNRVQMRDLIH-KZULUSFZSA-N 1 0 319.376 3.578 20 10 DHCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(OC(F)F)cc1F ZINC001167625116 1017702766 /nfs/dbraw/zinc/70/27/66/1017702766.db2.gz NISZVJPJISTEDZ-UHFFFAOYSA-N 1 0 316.367 3.912 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001171465016 1032724552 /nfs/dbraw/zinc/72/45/52/1032724552.db2.gz FIZBOARCGCYSRO-OAHLLOKOSA-N 1 0 317.379 3.934 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1O ZINC000282516136 1017779579 /nfs/dbraw/zinc/77/95/79/1017779579.db2.gz XWZUBEOMANFYJJ-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO COc1cc(C[N@H+](C)[C@@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000125161054 1032739001 /nfs/dbraw/zinc/73/90/01/1032739001.db2.gz UJSUWGTVPRMOEK-CYBMUJFWSA-N 1 0 309.475 3.636 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)[nH]n1 ZINC000766082706 1018196387 /nfs/dbraw/zinc/19/63/87/1018196387.db2.gz BESJYZSKYZNITF-AWEZNQCLSA-N 1 0 316.424 3.698 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125200024 1032751279 /nfs/dbraw/zinc/75/12/79/1032751279.db2.gz YNPWAWDDYSKWIA-QGZVFWFLSA-N 1 0 322.543 3.615 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000764434265 1018281635 /nfs/dbraw/zinc/28/16/35/1018281635.db2.gz WBKAZSSEZUXZNW-OGNFBWPZSA-N 1 0 316.489 3.999 20 10 DHCDRO C[C@@H]1OCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1C ZINC000765099358 1018475650 /nfs/dbraw/zinc/47/56/50/1018475650.db2.gz PDTDAWMFSBNCHV-STQMWFEESA-N 1 0 315.413 3.626 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCC1 ZINC000765117160 1018475933 /nfs/dbraw/zinc/47/59/33/1018475933.db2.gz BOEISAUANNZDRD-ZNMIVQPWSA-N 1 0 320.452 3.718 20 10 DHCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)n1 ZINC000765107676 1018478514 /nfs/dbraw/zinc/47/85/14/1018478514.db2.gz XYPUTXDSIKGHAD-LJQANCHMSA-N 1 0 319.408 3.981 20 10 DHCDRO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766143722 1018497462 /nfs/dbraw/zinc/49/74/62/1018497462.db2.gz BUUAPTQFHBHVNC-MRXNPFEDSA-N 1 0 306.450 3.525 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858116745 1032774144 /nfs/dbraw/zinc/77/41/44/1032774144.db2.gz WNQKFRFOCTYMGI-LBPRGKRZSA-N 1 0 320.383 3.890 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1F ZINC000858118408 1032774216 /nfs/dbraw/zinc/77/42/16/1032774216.db2.gz ZKDBQEQBWKQDHA-KRWDZBQOSA-N 1 0 320.358 3.947 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C1(c2ccccc2)CC1 ZINC000858132487 1032776472 /nfs/dbraw/zinc/77/64/72/1032776472.db2.gz FWQQTDMSBRDGPH-UHFFFAOYSA-N 1 0 318.214 3.934 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)nc2C)cc1 ZINC000278368279 1018622177 /nfs/dbraw/zinc/62/21/77/1018622177.db2.gz JZEKULZHKPIAJJ-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278388049 1018646694 /nfs/dbraw/zinc/64/66/94/1018646694.db2.gz AARTWGOHUAUUGK-GTNSWQLSSA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765303384 1018748606 /nfs/dbraw/zinc/74/86/06/1018748606.db2.gz ZZTICWCCMSQGKH-ZACQAIPSSA-N 1 0 303.494 3.524 20 10 DHCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298312 1018749345 /nfs/dbraw/zinc/74/93/45/1018749345.db2.gz UCIOETMOKQJMCK-AZUAARDMSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765333205 1018760377 /nfs/dbraw/zinc/76/03/77/1018760377.db2.gz KJXYQBMBTZUMKR-JKSUJKDBSA-N 1 0 310.441 3.655 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1 ZINC000765423299 1018780348 /nfs/dbraw/zinc/78/03/48/1018780348.db2.gz GLRNLSWPBKRWFW-QWHCGFSZSA-N 1 0 318.383 3.761 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000765433105 1018782818 /nfs/dbraw/zinc/78/28/18/1018782818.db2.gz VYVPWWVGOWDLPK-YJBOKZPZSA-N 1 0 310.441 3.797 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1F ZINC000858173010 1032790373 /nfs/dbraw/zinc/79/03/73/1032790373.db2.gz NTVZLOHDAWMQMJ-ZDUSSCGKSA-N 1 0 323.214 3.704 20 10 DHCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000715707420 1018944719 /nfs/dbraw/zinc/94/47/19/1018944719.db2.gz FMHLGSAOIMDEPT-UKRRQHHQSA-N 1 0 317.429 3.524 20 10 DHCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000765610528 1019001697 /nfs/dbraw/zinc/00/16/97/1019001697.db2.gz VUZPAPCIMRHLJW-GOSISDBHSA-N 1 0 309.409 3.933 20 10 DHCDRO c1cc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc2c1OCO2 ZINC000921864393 1019015442 /nfs/dbraw/zinc/01/54/42/1019015442.db2.gz VCWNBKBZYOLAHF-UHFFFAOYSA-N 1 0 323.392 3.519 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1C ZINC000134787649 1019039961 /nfs/dbraw/zinc/03/99/61/1019039961.db2.gz GDRAVYHQAVHPBK-SIUPPRGNSA-N 1 0 301.430 3.617 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765953760 1019087507 /nfs/dbraw/zinc/08/75/07/1019087507.db2.gz ILJRHPAHRCZOCM-VIPLHTEESA-N 1 0 316.489 3.999 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000766185595 1019427583 /nfs/dbraw/zinc/42/75/83/1019427583.db2.gz FBHKAYPLTDLMDV-PIKADFDJSA-N 1 0 316.489 3.997 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186934 1019642411 /nfs/dbraw/zinc/64/24/11/1019642411.db2.gz JWXBHDIKUAYQFX-ZUZCIYMTSA-N 1 0 304.390 3.808 20 10 DHCDRO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000727170097 1019658423 /nfs/dbraw/zinc/65/84/23/1019658423.db2.gz SHLBSCVQPCRJPI-KRWDZBQOSA-N 1 0 316.489 3.668 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000922215744 1019892933 /nfs/dbraw/zinc/89/29/33/1019892933.db2.gz FUNGMWMHLCQJDF-OLZOCXBDSA-N 1 0 313.397 3.575 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000922217985 1019897131 /nfs/dbraw/zinc/89/71/31/1019897131.db2.gz YVYBCBHYCVGSMB-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO c1ccc2c(c1)ccnc2NCc1ccc(N2CCOCC2)cc1 ZINC000858361240 1032861647 /nfs/dbraw/zinc/86/16/47/1032861647.db2.gz LMDYLYDLRBASCS-UHFFFAOYSA-N 1 0 319.408 3.684 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171760094 1032863205 /nfs/dbraw/zinc/86/32/05/1032863205.db2.gz QMRYLPUTXQHILR-YLJYHZDGSA-N 1 0 324.468 3.877 20 10 DHCDRO c1cnc2cccc(C[NH2+]Cc3ccc4c(c3)CCCO4)c2c1 ZINC000922322704 1019999561 /nfs/dbraw/zinc/99/95/61/1019999561.db2.gz HDEIECYAEDQNRO-UHFFFAOYSA-N 1 0 304.393 3.850 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000731450497 1020108600 /nfs/dbraw/zinc/10/86/00/1020108600.db2.gz CDNIDFLBGZVSRZ-UHFFFAOYSA-N 1 0 322.456 3.779 20 10 DHCDRO C[N@H+](CCc1ccccc1F)Cc1c(O)ccc2ccncc21 ZINC000731663346 1020133923 /nfs/dbraw/zinc/13/39/23/1020133923.db2.gz ZIGYTAJGBCHOQY-UHFFFAOYSA-N 1 0 310.372 3.754 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1nccn1C(F)F)C1CCCC1 ZINC000732205062 1020213063 /nfs/dbraw/zinc/21/30/63/1020213063.db2.gz YVNABGPKCCQMEM-UHFFFAOYSA-N 1 0 321.371 3.929 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1F ZINC000785441656 1020257640 /nfs/dbraw/zinc/25/76/40/1020257640.db2.gz LRVPLQXNNMOIOV-UHFFFAOYSA-N 1 0 309.388 3.730 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000922770495 1020258924 /nfs/dbraw/zinc/25/89/24/1020258924.db2.gz MCWKGHGXDPJXMD-UHFFFAOYSA-N 1 0 310.397 3.791 20 10 DHCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000310251147 1020346701 /nfs/dbraw/zinc/34/67/01/1020346701.db2.gz WMISNRNNTGAWLQ-LAUBAEHRSA-N 1 0 323.484 3.505 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000751150936 1020346810 /nfs/dbraw/zinc/34/68/10/1020346810.db2.gz BIDHJMBYRJMWTJ-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1F ZINC000733322993 1020368345 /nfs/dbraw/zinc/36/83/45/1020368345.db2.gz HXSWQESLGIQWAF-UHFFFAOYSA-N 1 0 311.404 3.705 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCN(C)c2ccccc2)cc1F ZINC000733323190 1020369010 /nfs/dbraw/zinc/36/90/10/1020369010.db2.gz NNUUSFZFXGXIPI-UHFFFAOYSA-N 1 0 315.436 3.508 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)c1ccccc1 ZINC000733324817 1020371824 /nfs/dbraw/zinc/37/18/24/1020371824.db2.gz ZJXSJWGOEGZNEE-OAHLLOKOSA-N 1 0 315.436 3.506 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000733326938 1020374053 /nfs/dbraw/zinc/37/40/53/1020374053.db2.gz GEAWZTMFQBGCMP-UHFFFAOYSA-N 1 0 318.779 3.998 20 10 DHCDRO COc1ccnc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000733613465 1020419294 /nfs/dbraw/zinc/41/92/94/1020419294.db2.gz XHFYDBMITSAIJL-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1 ZINC000858453911 1032902652 /nfs/dbraw/zinc/90/26/52/1032902652.db2.gz QJOYRYRXVYNMDX-QAPCUYQASA-N 1 0 311.425 3.801 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(Cl)ccc1O ZINC000858452512 1032903256 /nfs/dbraw/zinc/90/32/56/1032903256.db2.gz DWTPNVKFQZRGBK-LRDDRELGSA-N 1 0 317.816 3.838 20 10 DHCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378905406 1020523349 /nfs/dbraw/zinc/52/33/49/1020523349.db2.gz YVVVYSIVPUPEAA-PKOBYXMFSA-N 1 0 302.462 3.582 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000691407092 1020648927 /nfs/dbraw/zinc/64/89/27/1020648927.db2.gz MDUFHERUIJUJLQ-CYBMUJFWSA-N 1 0 318.214 3.584 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000766213580 1020716676 /nfs/dbraw/zinc/71/66/76/1020716676.db2.gz HAAJOSOSEFPALV-RHSMWYFYSA-N 1 0 320.452 3.577 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1F ZINC000735508746 1020741837 /nfs/dbraw/zinc/74/18/37/1020741837.db2.gz NLXSFPZOTQCATR-HNNXBMFYSA-N 1 0 302.418 3.828 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1F ZINC000735508747 1020742305 /nfs/dbraw/zinc/74/23/05/1020742305.db2.gz NLXSFPZOTQCATR-OAHLLOKOSA-N 1 0 302.418 3.828 20 10 DHCDRO COc1ccc(N2CCCN(C/C(Cl)=C/Cl)CC2)cc1 ZINC000177713683 1020769253 /nfs/dbraw/zinc/76/92/53/1020769253.db2.gz URIAZOSYPZHKPE-QBFSEMIESA-N 1 0 315.244 3.526 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CCc3ccc(C)cc3)CC2)cc1 ZINC000736309636 1020807874 /nfs/dbraw/zinc/80/78/74/1020807874.db2.gz ZVOZQWPKIVNARL-UHFFFAOYSA-N 1 0 324.468 3.758 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000740005402 1020923335 /nfs/dbraw/zinc/92/33/35/1020923335.db2.gz BJENPSXVOOAVSD-IFXJQAMLSA-N 1 0 322.468 3.559 20 10 DHCDRO CCOC(=O)C1(C)CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001171943985 1032947982 /nfs/dbraw/zinc/94/79/82/1032947982.db2.gz IVPDLNZQTQADFJ-UHFFFAOYSA-N 1 0 319.445 3.611 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)c1O ZINC000742381268 1021109992 /nfs/dbraw/zinc/10/99/92/1021109992.db2.gz XRTLJAAYRUDCJC-ZDUSSCGKSA-N 1 0 303.402 3.803 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCCC2 ZINC000742390855 1021110648 /nfs/dbraw/zinc/11/06/48/1021110648.db2.gz RKOPABCYHZGLOI-QZTJIDSGSA-N 1 0 303.446 3.831 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742379351 1021116648 /nfs/dbraw/zinc/11/66/48/1021116648.db2.gz WFSJAKISJSSOMW-IPMKNSEASA-N 1 0 314.473 3.582 20 10 DHCDRO CC[N@H+](Cc1ccccc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000917436826 1021261247 /nfs/dbraw/zinc/26/12/47/1021261247.db2.gz NSOLCYBXSPRDFE-UHFFFAOYSA-N 1 0 319.788 3.796 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001202457566 1021261565 /nfs/dbraw/zinc/26/15/65/1021261565.db2.gz RJTQRWPCMWLMKE-IAGOWNOFSA-N 1 0 320.452 3.578 20 10 DHCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917617603 1021322925 /nfs/dbraw/zinc/32/29/25/1021322925.db2.gz MDOTYFBEHDYYDM-INIZCTEOSA-N 1 0 311.381 3.766 20 10 DHCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)n1 ZINC000178232693 1021323937 /nfs/dbraw/zinc/32/39/37/1021323937.db2.gz SPPPLANKKUHXRL-IBGZPJMESA-N 1 0 308.425 3.921 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2N(C)C)C2CC2)cc1 ZINC000743840934 1021367695 /nfs/dbraw/zinc/36/76/95/1021367695.db2.gz AMGLRLBYGTUEMV-UHFFFAOYSA-N 1 0 323.484 3.983 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743870571 1021396151 /nfs/dbraw/zinc/39/61/51/1021396151.db2.gz XXEKJHHCVHTDTD-FQEVSTJZSA-N 1 0 313.441 3.955 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000850128484 1021423859 /nfs/dbraw/zinc/42/38/59/1021423859.db2.gz CLWYULHZRVORSP-PKOBYXMFSA-N 1 0 302.462 3.580 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1O ZINC000182000552 1021424553 /nfs/dbraw/zinc/42/45/53/1021424553.db2.gz ORPJTGDSXLTKSS-VIFPVBQESA-N 1 0 323.314 3.863 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850229049 1021447506 /nfs/dbraw/zinc/44/75/06/1021447506.db2.gz QRKSXXKZBLSPLI-GFCCVEGCSA-N 1 0 302.418 3.877 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850237062 1021448939 /nfs/dbraw/zinc/44/89/39/1021448939.db2.gz XHRBPEFGFWAKOZ-CXAGYDPISA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850238743 1021451712 /nfs/dbraw/zinc/45/17/12/1021451712.db2.gz AMFCHDSAPQYRLR-KBPBESRZSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)c(O)c(C(C)(C)C)c1 ZINC000850302712 1021470578 /nfs/dbraw/zinc/47/05/78/1021470578.db2.gz VDNMWUWSUMDWQJ-ZDUSSCGKSA-N 1 0 323.502 3.931 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000850327962 1021475710 /nfs/dbraw/zinc/47/57/10/1021475710.db2.gz OGJDRCOJTPLAOL-INIZCTEOSA-N 1 0 314.477 3.559 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926965827 1032982348 /nfs/dbraw/zinc/98/23/48/1032982348.db2.gz XVOHLFQUUBKAKR-OCCSQVGLSA-N 1 0 318.383 3.542 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cscc3Cl)C2)cc1 ZINC000850346785 1021480401 /nfs/dbraw/zinc/48/04/01/1021480401.db2.gz JZEJYSWRPIJHPH-ZDUSSCGKSA-N 1 0 322.861 3.779 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)cc3C)C2)cc1 ZINC000850345430 1021481008 /nfs/dbraw/zinc/48/10/08/1021481008.db2.gz AAQKDCOVECNYEZ-QGZVFWFLSA-N 1 0 314.404 3.511 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3coc4ccccc34)C2)cc1 ZINC000850346261 1021481605 /nfs/dbraw/zinc/48/16/05/1021481605.db2.gz DKNAWIJKBZZPRT-INIZCTEOSA-N 1 0 322.408 3.810 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926965830 1032982699 /nfs/dbraw/zinc/98/26/99/1032982699.db2.gz XVOHLFQUUBKAKR-TZMCWYRMSA-N 1 0 318.383 3.542 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)Cc2ccc(OC)cc2)c1O ZINC000154670148 1021486895 /nfs/dbraw/zinc/48/68/95/1021486895.db2.gz HYQNVWIGPAGTOO-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368340 1021489840 /nfs/dbraw/zinc/48/98/40/1021489840.db2.gz BUGUSFJORTYQEI-WOJBJXKFSA-N 1 0 310.441 3.801 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406610 1021514050 /nfs/dbraw/zinc/51/40/50/1021514050.db2.gz NAURBNULXUDOMO-HNAYVOBHSA-N 1 0 316.489 3.562 20 10 DHCDRO CCOCc1cc(C[NH2+]CCCc2ccco2)ccc1OC ZINC000850407436 1021514429 /nfs/dbraw/zinc/51/44/29/1021514429.db2.gz HXANNWDGRNRKIV-UHFFFAOYSA-N 1 0 303.402 3.547 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000850408754 1021515402 /nfs/dbraw/zinc/51/54/02/1021515402.db2.gz DTJDKMAHNSHCJY-JCURWCKSSA-N 1 0 303.764 3.613 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)F)nc1 ZINC000850430083 1021529213 /nfs/dbraw/zinc/52/92/13/1021529213.db2.gz MZBCKSNHVXCYHD-NSHDSACASA-N 1 0 304.340 3.805 20 10 DHCDRO CCOC1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000850437806 1021532479 /nfs/dbraw/zinc/53/24/79/1021532479.db2.gz SCISZWUTCOUKIK-UHFFFAOYSA-N 1 0 300.493 3.563 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000125831918 1032987911 /nfs/dbraw/zinc/98/79/11/1032987911.db2.gz OGAQDCLQHUMQPH-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000744448498 1021550414 /nfs/dbraw/zinc/55/04/14/1021550414.db2.gz KGVSXXOILDNKGH-AZUAARDMSA-N 1 0 316.489 3.970 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000850474836 1021553776 /nfs/dbraw/zinc/55/37/76/1021553776.db2.gz QUGIVPAIJQASFB-DOTOQJQBSA-N 1 0 306.519 3.867 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccs3)C2)cc1 ZINC000850486240 1021558535 /nfs/dbraw/zinc/55/85/35/1021558535.db2.gz BDXPIBSMHKANQE-KGLIPLIRSA-N 1 0 302.443 3.686 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486766 1021560342 /nfs/dbraw/zinc/56/03/42/1021560342.db2.gz JYRMKXYEHHGCIN-GDBMZVCRSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488934 1021560752 /nfs/dbraw/zinc/56/07/52/1021560752.db2.gz PPZYMHBTCMMNTQ-HUUCEWRRSA-N 1 0 300.402 3.526 20 10 DHCDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1O ZINC000850505064 1021565298 /nfs/dbraw/zinc/56/52/98/1021565298.db2.gz LZLFXKWLFSIIEE-NHYWBVRUSA-N 1 0 317.351 3.933 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000850504724 1021566208 /nfs/dbraw/zinc/56/62/08/1021566208.db2.gz DDKQROYHCSOMHQ-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc2ccccc2c1O ZINC000850520966 1021575972 /nfs/dbraw/zinc/57/59/72/1021575972.db2.gz KOCWSGLYXIGRNH-XHDPSFHLSA-N 1 0 307.340 3.620 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(OC3CC3)c1F)CC2 ZINC000850521409 1021576055 /nfs/dbraw/zinc/57/60/55/1021576055.db2.gz UXAZAOPUKIBGMA-HNNXBMFYSA-N 1 0 313.372 3.850 20 10 DHCDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccccc1O ZINC000850523101 1021576121 /nfs/dbraw/zinc/57/61/21/1021576121.db2.gz YWPTYANHLILPSM-NEPJUHHUSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)c2c1c(F)ccc2O ZINC000850526390 1021579315 /nfs/dbraw/zinc/57/93/15/1021579315.db2.gz BRZNSRNOIGXBNA-LUDXLNSESA-N 1 0 313.372 3.848 20 10 DHCDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000850527206 1021580523 /nfs/dbraw/zinc/58/05/23/1021580523.db2.gz ZJQPSEMBVSHFEY-XJKSGUPXSA-N 1 0 301.430 3.633 20 10 DHCDRO C[C@H]([NH2+]CCc1ccoc1)c1cc(Br)ccc1O ZINC000850530682 1021584793 /nfs/dbraw/zinc/58/47/93/1021584793.db2.gz AYQUBOZNWIMRLQ-JTQLQIEISA-N 1 0 310.191 3.641 20 10 DHCDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(Cl)cc1O ZINC000850531875 1021585509 /nfs/dbraw/zinc/58/55/09/1021585509.db2.gz IHVMZNWBLLJHCU-FZZIBODNSA-N 1 0 317.763 3.511 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1C ZINC000309671858 1021605400 /nfs/dbraw/zinc/60/54/00/1021605400.db2.gz TYVGNRJXVFKCJV-QGZVFWFLSA-N 1 0 312.457 3.614 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1C ZINC000850565442 1021609103 /nfs/dbraw/zinc/60/91/03/1021609103.db2.gz BPGWYXIUKLRTDX-CYBMUJFWSA-N 1 0 313.388 3.600 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850565138 1021609155 /nfs/dbraw/zinc/60/91/55/1021609155.db2.gz BDKSOEXAGUYKHK-NRFANRHFSA-N 1 0 324.468 3.889 20 10 DHCDRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566949 1021611137 /nfs/dbraw/zinc/61/11/37/1021611137.db2.gz VEGKZHKDRSZRCY-MRXNPFEDSA-N 1 0 316.489 3.706 20 10 DHCDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568063 1021611374 /nfs/dbraw/zinc/61/13/74/1021611374.db2.gz OTTXGRPGUFHNNP-IAGOWNOFSA-N 1 0 318.505 3.952 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584845 1021625286 /nfs/dbraw/zinc/62/52/86/1021625286.db2.gz UAAPSJMPHXLLPQ-TWOQFEAHSA-N 1 0 312.457 3.915 20 10 DHCDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178307622 1021627020 /nfs/dbraw/zinc/62/70/20/1021627020.db2.gz IOZDVEZIBHMLSU-INIZCTEOSA-N 1 0 319.468 3.562 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)c(O)c1OC ZINC000892903129 1021667056 /nfs/dbraw/zinc/66/70/56/1021667056.db2.gz NWSDDTYJALOZLT-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCN(CC)c1ccc(CNCC[NH+](C(C)C)C(C)C)cc1 ZINC000314051861 1021700702 /nfs/dbraw/zinc/70/07/02/1021700702.db2.gz OZKHGCJVHZVIOS-UHFFFAOYSA-N 1 0 305.510 3.741 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766331783 1021710214 /nfs/dbraw/zinc/71/02/14/1021710214.db2.gz VMNREGTTZNHGNK-VUCTXSBTSA-N 1 0 307.434 3.644 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)CCCC2)c1nccs1 ZINC000182837097 1021820725 /nfs/dbraw/zinc/82/07/25/1021820725.db2.gz UDMBNWQETZNGRH-ZDUSSCGKSA-N 1 0 316.470 3.963 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)c2cccc(C)c2)c(O)c1OC ZINC000893042101 1021827664 /nfs/dbraw/zinc/82/76/64/1021827664.db2.gz PTTLSWLLMYLEQA-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000182873062 1021844640 /nfs/dbraw/zinc/84/46/40/1021844640.db2.gz XHOPFWIIKWCSPQ-ZDUSSCGKSA-N 1 0 300.358 3.802 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCOCC(F)(F)F)cc1 ZINC000919770150 1021892385 /nfs/dbraw/zinc/89/23/85/1021892385.db2.gz NLFHFCKGDHIFOP-UHFFFAOYSA-N 1 0 318.383 3.544 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000851716458 1021973024 /nfs/dbraw/zinc/97/30/24/1021973024.db2.gz MXNCHKQUUFTSRK-NHCUHLMSSA-N 1 0 322.452 3.511 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000752266250 1022046841 /nfs/dbraw/zinc/04/68/41/1022046841.db2.gz OBVIVYNLLMMBDY-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000920304931 1022100364 /nfs/dbraw/zinc/10/03/64/1022100364.db2.gz GOTLLNRFUYFUDG-OXJNMPFZSA-N 1 0 311.425 3.971 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000756369855 1022128042 /nfs/dbraw/zinc/12/80/42/1022128042.db2.gz DLZWXBWHLYEHAH-CZUORRHYSA-N 1 0 304.459 3.716 20 10 DHCDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183425279 1022142921 /nfs/dbraw/zinc/14/29/21/1022142921.db2.gz KSOJBFPCKDABIM-CQSZACIVSA-N 1 0 312.413 3.982 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccccc1O ZINC000183455830 1022147603 /nfs/dbraw/zinc/14/76/03/1022147603.db2.gz QTUNFNUWTZLSSZ-UONOGXRCSA-N 1 0 316.470 3.551 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCC(F)CC2)c1O ZINC000852650782 1022151818 /nfs/dbraw/zinc/15/18/18/1022151818.db2.gz RFLQNVXQPQTYIT-PWQPVHBWSA-N 1 0 311.372 3.740 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+]C3(CC(C)C)CC3)cc2)CC1 ZINC000852681703 1022159266 /nfs/dbraw/zinc/15/92/66/1022159266.db2.gz WOLPNNAJVGELDF-UHFFFAOYSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183556519 1022190312 /nfs/dbraw/zinc/19/03/12/1022190312.db2.gz QUBLQUXQRGDIBP-RYRKJORJSA-N 1 0 310.441 3.706 20 10 DHCDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001169058782 1022235172 /nfs/dbraw/zinc/23/51/72/1022235172.db2.gz LAKDEVYTSFQNQU-GOSISDBHSA-N 1 0 313.441 3.887 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O ZINC000853240158 1022241291 /nfs/dbraw/zinc/24/12/91/1022241291.db2.gz GZRAWZCFXPWAGU-CZUORRHYSA-N 1 0 319.445 3.801 20 10 DHCDRO Cc1csc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756403465 1022264442 /nfs/dbraw/zinc/26/44/42/1022264442.db2.gz YKCPCIMPFGTPMK-SKDRFNHKSA-N 1 0 306.406 3.677 20 10 DHCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000282143798 1022285463 /nfs/dbraw/zinc/28/54/63/1022285463.db2.gz WKQXMOLSUOZLCK-UHFFFAOYSA-N 1 0 307.800 3.538 20 10 DHCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1O)C2 ZINC000853565733 1022293571 /nfs/dbraw/zinc/29/35/71/1022293571.db2.gz JKCUOXVKCTUULR-JLTOFOAXSA-N 1 0 323.392 3.760 20 10 DHCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c(O)cc1C ZINC000853632401 1022302030 /nfs/dbraw/zinc/30/20/30/1022302030.db2.gz FSJSZZHPMBNKFD-IBGZPJMESA-N 1 0 324.424 3.831 20 10 DHCDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccccc1O ZINC000183444224 1022347167 /nfs/dbraw/zinc/34/71/67/1022347167.db2.gz PUGIAUFMCRSUNA-NEPJUHHUSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000183538833 1022351762 /nfs/dbraw/zinc/35/17/62/1022351762.db2.gz SRYWTPXNWGHLID-GJZGRUSLSA-N 1 0 307.397 3.990 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223333 1033049046 /nfs/dbraw/zinc/04/90/46/1033049046.db2.gz COVLLYAOGMBNTO-QBXFWIFKSA-N 1 0 315.457 3.932 20 10 DHCDRO CC(C)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000179576586 1022481466 /nfs/dbraw/zinc/48/14/66/1022481466.db2.gz MEWIAGXROOVSDE-LJQANCHMSA-N 1 0 317.404 3.723 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000185405481 1022483042 /nfs/dbraw/zinc/48/30/42/1022483042.db2.gz CXKJAGNNWUQZKZ-QWHCGFSZSA-N 1 0 301.361 3.748 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000185515844 1022497205 /nfs/dbraw/zinc/49/72/05/1022497205.db2.gz JROIELUUWDSXIO-CYBMUJFWSA-N 1 0 315.388 3.922 20 10 DHCDRO COc1cc(O)c(C[NH2+]CCC2=CCCCCC2)cc1OC ZINC000185622375 1022508261 /nfs/dbraw/zinc/50/82/61/1022508261.db2.gz XIIBCLVOFFMJEV-UHFFFAOYSA-N 1 0 305.418 3.780 20 10 DHCDRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000179876077 1022563729 /nfs/dbraw/zinc/56/37/29/1022563729.db2.gz HOJJSZJEXGOEOE-HNNXBMFYSA-N 1 0 312.413 3.607 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179877664 1022570929 /nfs/dbraw/zinc/57/09/29/1022570929.db2.gz SGNGEQNYVSIHAX-UHFFFAOYSA-N 1 0 322.452 3.848 20 10 DHCDRO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1O ZINC000179902495 1022571157 /nfs/dbraw/zinc/57/11/57/1022571157.db2.gz GTZPQKPPWKOAPR-LLVKDONJSA-N 1 0 300.383 3.960 20 10 DHCDRO COC[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000112961873 1022573854 /nfs/dbraw/zinc/57/38/54/1022573854.db2.gz UUHIEPGSANXURH-HNNXBMFYSA-N 1 0 305.462 3.857 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000695710750 1022588545 /nfs/dbraw/zinc/58/85/45/1022588545.db2.gz UQHVLSQGOKKODU-UHFFFAOYSA-N 1 0 310.235 3.967 20 10 DHCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000180001395 1022607905 /nfs/dbraw/zinc/60/79/05/1022607905.db2.gz BIDORXZSNRTQOK-HZPDHXFCSA-N 1 0 320.452 3.618 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000767195673 1022661176 /nfs/dbraw/zinc/66/11/76/1022661176.db2.gz PGIDMKKJCBBNTQ-VQTJNVASSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1nc(CC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000767347733 1022692526 /nfs/dbraw/zinc/69/25/26/1022692526.db2.gz DAIWHNGSWUKYKL-UHFFFAOYSA-N 1 0 315.486 3.725 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1OC ZINC000180369983 1022711767 /nfs/dbraw/zinc/71/17/67/1022711767.db2.gz DMYAEAOBLQELKL-QGZVFWFLSA-N 1 0 321.461 3.667 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1O ZINC000180414500 1022724027 /nfs/dbraw/zinc/72/40/27/1022724027.db2.gz ZWTLXWGUMIQNLW-SFHVURJKSA-N 1 0 315.388 3.722 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000767930830 1022843956 /nfs/dbraw/zinc/84/39/56/1022843956.db2.gz YMYTWKWOJLICIB-GOSISDBHSA-N 1 0 314.473 3.868 20 10 DHCDRO COc1ccc(F)c(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000856805527 1022871802 /nfs/dbraw/zinc/87/18/02/1022871802.db2.gz YFFBDLSXMWCWSL-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc(C)ccc1O ZINC000768206983 1022915335 /nfs/dbraw/zinc/91/53/35/1022915335.db2.gz NQOYXMWHDQSERM-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCc3sccc3[C@H]2C)c1O ZINC000768211026 1022926223 /nfs/dbraw/zinc/92/62/23/1022926223.db2.gz WTMUYIABGUQVEH-GFCCVEGCSA-N 1 0 303.427 3.972 20 10 DHCDRO CCOc1ccc(C[N@H+](Cc2ccc(C)o2)C2CC2)c(O)c1 ZINC000768264389 1022936105 /nfs/dbraw/zinc/93/61/05/1022936105.db2.gz NECQMBVRDXSWRQ-UHFFFAOYSA-N 1 0 301.386 3.857 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000768296666 1022943007 /nfs/dbraw/zinc/94/30/07/1022943007.db2.gz YHOAIOQBFICMHD-CWFSZBLJSA-N 1 0 316.489 3.999 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1O ZINC000768319571 1022950212 /nfs/dbraw/zinc/95/02/12/1022950212.db2.gz QWECFPBCDVXNJX-GOSISDBHSA-N 1 0 311.425 3.998 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC000768365180 1022952366 /nfs/dbraw/zinc/95/23/66/1022952366.db2.gz QRTFUKCKCLRKPL-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)on1 ZINC000768439344 1022967996 /nfs/dbraw/zinc/96/79/96/1022967996.db2.gz KJXKIODIDXZJCB-QGZVFWFLSA-N 1 0 312.413 3.905 20 10 DHCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)no1 ZINC000768442405 1022968033 /nfs/dbraw/zinc/96/80/33/1022968033.db2.gz UWSRTGKWXBWJMB-GOSISDBHSA-N 1 0 312.413 3.905 20 10 DHCDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464741 1022972866 /nfs/dbraw/zinc/97/28/66/1022972866.db2.gz TVBUPNFPPVOXCN-QAPCUYQASA-N 1 0 319.445 3.609 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c(O)cc1C ZINC000768465274 1022973798 /nfs/dbraw/zinc/97/37/98/1022973798.db2.gz FGNMEQJTUILWOZ-INIZCTEOSA-N 1 0 301.361 3.795 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000768464200 1022974435 /nfs/dbraw/zinc/97/44/35/1022974435.db2.gz OEIDBSPSRZAOLT-OAHLLOKOSA-N 1 0 315.388 3.838 20 10 DHCDRO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H]1CCOC1 ZINC000768520651 1022979310 /nfs/dbraw/zinc/97/93/10/1022979310.db2.gz GXKVBLMFNZCMAL-INIZCTEOSA-N 1 0 311.425 3.918 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)CCc2cccs2)c1O ZINC000768761603 1023014306 /nfs/dbraw/zinc/01/43/06/1023014306.db2.gz ZPXOXZDMJNIWOO-UHFFFAOYSA-N 1 0 305.443 3.917 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(Br)c1)CC2 ZINC000297716187 1023022295 /nfs/dbraw/zinc/02/22/95/1023022295.db2.gz MZWFZUHMGPNVPK-CQSZACIVSA-N 1 0 318.214 3.932 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000123425772 1023037206 /nfs/dbraw/zinc/03/72/06/1023037206.db2.gz IKZLLICGPZXHBV-TXPKVOOTSA-N 1 0 302.462 3.753 20 10 DHCDRO Oc1ccc(CNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)cc1O ZINC001169997157 1023041764 /nfs/dbraw/zinc/04/17/64/1023041764.db2.gz TUHHBWNCBHMESE-UHFFFAOYSA-N 1 0 324.302 3.699 20 10 DHCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@H](C)c1cccc(O)c1 ZINC000768872169 1023043660 /nfs/dbraw/zinc/04/36/60/1023043660.db2.gz FBAOJPFMGUBSIY-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000768891735 1023049369 /nfs/dbraw/zinc/04/93/69/1023049369.db2.gz WTCOKRSHGLKRSQ-UHFFFAOYSA-N 1 0 324.468 3.935 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000768901947 1023051599 /nfs/dbraw/zinc/05/15/99/1023051599.db2.gz PXTMJSYURUHFJE-HXUWFJFHSA-N 1 0 315.505 3.593 20 10 DHCDRO Cc1ccc(O)c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000768913743 1023056361 /nfs/dbraw/zinc/05/63/61/1023056361.db2.gz RRJUDGHKXRLONK-JZXOWHBKSA-N 1 0 302.462 3.538 20 10 DHCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000769021355 1023072088 /nfs/dbraw/zinc/07/20/88/1023072088.db2.gz HFYHCXOHLJUVGO-SFHVURJKSA-N 1 0 317.816 3.791 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000769103836 1023091051 /nfs/dbraw/zinc/09/10/51/1023091051.db2.gz CNOCGQKZJUFWPL-VQIMIIECSA-N 1 0 302.462 3.676 20 10 DHCDRO CCO[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000193436515 1023101807 /nfs/dbraw/zinc/10/18/07/1023101807.db2.gz XLTZVZIHOQXLGC-KUHUBIRLSA-N 1 0 315.413 3.829 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000769327459 1023123148 /nfs/dbraw/zinc/12/31/48/1023123148.db2.gz BOWHMFBTLDVXQH-NRFANRHFSA-N 1 0 324.468 3.934 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000769338063 1023126954 /nfs/dbraw/zinc/12/69/54/1023126954.db2.gz KKUATQNHCXDJMH-HNNXBMFYSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769354000 1023132370 /nfs/dbraw/zinc/13/23/70/1023132370.db2.gz YSDCNCBVMQQFRX-QGZVFWFLSA-N 1 0 322.452 3.643 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000769378165 1023135570 /nfs/dbraw/zinc/13/55/70/1023135570.db2.gz ADNGLHJOTWPWHE-CYBMUJFWSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000769467859 1023161835 /nfs/dbraw/zinc/16/18/35/1023161835.db2.gz ZXGVDNADJDVFOX-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c(O)c1 ZINC000769551084 1023177688 /nfs/dbraw/zinc/17/76/88/1023177688.db2.gz UZESNOCXNZRITD-ZBFHGGJFSA-N 1 0 309.475 3.897 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000859257494 1033115415 /nfs/dbraw/zinc/11/54/15/1033115415.db2.gz BZQMTRXOXWOMND-LBPRGKRZSA-N 1 0 304.821 3.962 20 10 DHCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756628003 1023239314 /nfs/dbraw/zinc/23/93/14/1023239314.db2.gz UKZAMGKBPVJFFZ-KCQAQPDRSA-N 1 0 309.425 3.714 20 10 DHCDRO COc1ccc(CC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000770510862 1023316936 /nfs/dbraw/zinc/31/69/36/1023316936.db2.gz SQLMIJGQQRMVSM-UHFFFAOYSA-N 1 0 311.425 3.856 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)CCC2 ZINC000770667460 1023335103 /nfs/dbraw/zinc/33/51/03/1023335103.db2.gz ZGPYOAJICLRWCL-UHFFFAOYSA-N 1 0 322.452 3.731 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000770750106 1023346990 /nfs/dbraw/zinc/34/69/90/1023346990.db2.gz ZKEXPAHRBWZKST-UGSOOPFHSA-N 1 0 303.377 3.706 20 10 DHCDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876726225 1033129559 /nfs/dbraw/zinc/12/95/59/1033129559.db2.gz WMLPXSREZZKXIB-GOSISDBHSA-N 1 0 316.489 3.516 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000771380053 1023424260 /nfs/dbraw/zinc/42/42/60/1023424260.db2.gz DZFABWJNSCWPQF-LJQANCHMSA-N 1 0 312.457 3.795 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(COC)CC2)cc1F ZINC000093103580 1023444615 /nfs/dbraw/zinc/44/46/15/1023444615.db2.gz MHKZIMHKJCFJSK-UHFFFAOYSA-N 1 0 308.441 3.530 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CCCO)cc1F ZINC000771899108 1023486958 /nfs/dbraw/zinc/48/69/58/1023486958.db2.gz VFUQTNUVVHUYNU-UHFFFAOYSA-N 1 0 310.457 3.560 20 10 DHCDRO Cc1nnc([C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133622080 1033144896 /nfs/dbraw/zinc/14/48/96/1033144896.db2.gz AUUOWVLVODBREW-AWEZNQCLSA-N 1 0 314.433 3.561 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000876804190 1033146702 /nfs/dbraw/zinc/14/67/02/1033146702.db2.gz NJHKSAXROSNMEX-WBVHZDCISA-N 1 0 317.454 3.850 20 10 DHCDRO CCc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1O ZINC000691523769 1023576106 /nfs/dbraw/zinc/57/61/06/1023576106.db2.gz PXZKZEHQEYBFTN-UHFFFAOYSA-N 1 0 324.468 3.709 20 10 DHCDRO COc1cc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(O)cc1C ZINC000785516302 1023587896 /nfs/dbraw/zinc/58/78/96/1023587896.db2.gz HKJRMTIUNANFLV-UHFFFAOYSA-N 1 0 319.445 3.633 20 10 DHCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000785554270 1023589967 /nfs/dbraw/zinc/58/99/67/1023589967.db2.gz PEOXSVMPDKIDGI-NVXWUHKLSA-N 1 0 320.452 3.721 20 10 DHCDRO CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1O ZINC000796893905 1023622213 /nfs/dbraw/zinc/62/22/13/1023622213.db2.gz HXXDQGWGJUFNGB-MRXNPFEDSA-N 1 0 312.348 3.675 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@@H](C)CC(C)(C)C)cc1OC ZINC000785985269 1023648799 /nfs/dbraw/zinc/64/87/99/1023648799.db2.gz SRSWTBDELBIDFC-CYBMUJFWSA-N 1 0 309.450 3.961 20 10 DHCDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786811719 1023730345 /nfs/dbraw/zinc/73/03/45/1023730345.db2.gz ALABKXHUFBMWJK-ZROIWOOFSA-N 1 0 324.380 3.723 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)cc1 ZINC000786954640 1023741804 /nfs/dbraw/zinc/74/18/04/1023741804.db2.gz VWWVVVYCFFWDQP-DOMZBBRYSA-N 1 0 318.383 3.761 20 10 DHCDRO CCOC(CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)OCC ZINC000786970459 1023742617 /nfs/dbraw/zinc/74/26/17/1023742617.db2.gz MFNVDIJRSGHNBJ-CQSZACIVSA-N 1 0 321.461 3.711 20 10 DHCDRO CC[C@H]([NH2+]CCc1nc(C)c(C)s1)c1ccc(F)cc1[O-] ZINC000796801176 1023856659 /nfs/dbraw/zinc/85/66/59/1023856659.db2.gz YNHBNAJVHBRUNZ-AWEZNQCLSA-N 1 0 308.422 3.888 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1C ZINC000788260015 1023865838 /nfs/dbraw/zinc/86/58/38/1023865838.db2.gz QWNGDSATSROLFZ-DOTOQJQBSA-N 1 0 315.461 3.833 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000788259637 1023866387 /nfs/dbraw/zinc/86/63/87/1023866387.db2.gz OCZCUOPNJUMAHR-HOCLYGCPSA-N 1 0 301.434 3.525 20 10 DHCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000788542375 1023902947 /nfs/dbraw/zinc/90/29/47/1023902947.db2.gz MXYTVSXMXWRACN-QGZVFWFLSA-N 1 0 302.487 3.828 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000788600390 1023911590 /nfs/dbraw/zinc/91/15/90/1023911590.db2.gz CKOVLRCEBYMJEH-SJLPKXTDSA-N 1 0 313.441 3.826 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000788688719 1023920645 /nfs/dbraw/zinc/92/06/45/1023920645.db2.gz GPNRJNXDXHHBHX-HZPDHXFCSA-N 1 0 319.445 3.735 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c(O)c1 ZINC000788693331 1023921181 /nfs/dbraw/zinc/92/11/81/1023921181.db2.gz SFFNHEXSVAERGS-CVEARBPZSA-N 1 0 305.462 3.848 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c(O)c1 ZINC000788736466 1023932682 /nfs/dbraw/zinc/93/26/82/1023932682.db2.gz GEQPKONJCHIIAJ-AEFFLSMTSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1 ZINC000788818715 1023941059 /nfs/dbraw/zinc/94/10/59/1023941059.db2.gz QTURFDGNOUATAL-AWEZNQCLSA-N 1 0 309.413 3.779 20 10 DHCDRO CSC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000788841670 1023942712 /nfs/dbraw/zinc/94/27/12/1023942712.db2.gz WHKBQHWFOYGOOZ-UHFFFAOYSA-N 1 0 303.427 3.883 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000788989018 1023960134 /nfs/dbraw/zinc/96/01/34/1023960134.db2.gz TVZPSUAWCLQJPJ-VQIMIIECSA-N 1 0 314.473 3.897 20 10 DHCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000788980891 1023970841 /nfs/dbraw/zinc/97/08/41/1023970841.db2.gz OYNNRTMGAOTPCO-ZDUSSCGKSA-N 1 0 316.367 3.864 20 10 DHCDRO CCCN(Cc1ccc(N2CCCC2)nc1)c1ccc(C[NH3+])cc1 ZINC000194981143 1024018782 /nfs/dbraw/zinc/01/87/82/1024018782.db2.gz MUZVVNSEHPGMSK-UHFFFAOYSA-N 1 0 324.472 3.557 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc2ccccc2c1O ZINC000185373244 1024030749 /nfs/dbraw/zinc/03/07/49/1024030749.db2.gz FXKXXDDTAMEZKD-CQSZACIVSA-N 1 0 307.393 3.889 20 10 DHCDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000130444284 1024167946 /nfs/dbraw/zinc/16/79/46/1024167946.db2.gz AFBLHIYBNYGEGN-UHFFFAOYSA-N 1 0 324.468 3.857 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268818100 1024169856 /nfs/dbraw/zinc/16/98/56/1024169856.db2.gz NDGJSVARGHVEKH-ROUUACIJSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268858491 1024179486 /nfs/dbraw/zinc/17/94/86/1024179486.db2.gz DREJKPZJKKOYKJ-ZOBUZTSGSA-N 1 0 320.452 3.892 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000876972662 1033195018 /nfs/dbraw/zinc/19/50/18/1033195018.db2.gz XKTJGQZQLKQBSV-UHFFFAOYSA-N 1 0 324.468 3.673 20 10 DHCDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000269123300 1024244863 /nfs/dbraw/zinc/24/48/63/1024244863.db2.gz KWFPYHMCYCOIAA-UHFFFAOYSA-N 1 0 311.429 3.753 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1 ZINC000876978550 1033196899 /nfs/dbraw/zinc/19/68/99/1033196899.db2.gz MQJPCJQGZWRIJD-MOPGFXCFSA-N 1 0 315.388 3.850 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000876994958 1033201785 /nfs/dbraw/zinc/20/17/85/1033201785.db2.gz TZDGIZQEOBOYET-MRXNPFEDSA-N 1 0 303.402 3.797 20 10 DHCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)CC(F)F ZINC000883251093 1024319989 /nfs/dbraw/zinc/31/99/89/1024319989.db2.gz BIXZHKMFILQFCO-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883258745 1024327973 /nfs/dbraw/zinc/32/79/73/1024327973.db2.gz NPBJQSUQUMTSHJ-UHFFFAOYSA-N 1 0 309.409 3.797 20 10 DHCDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1c(O)cccc1OC ZINC000883258710 1024328936 /nfs/dbraw/zinc/32/89/36/1024328936.db2.gz MMKAZFPSMOKYHB-UHFFFAOYSA-N 1 0 313.397 3.577 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000790700089 1024357809 /nfs/dbraw/zinc/35/78/09/1024357809.db2.gz CDGCNGKFVDSYIW-HNAYVOBHSA-N 1 0 304.478 3.735 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000105444587 1024379431 /nfs/dbraw/zinc/37/94/31/1024379431.db2.gz LWOLDDARJKVIKH-GFCCVEGCSA-N 1 0 318.214 3.584 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000790995760 1024414238 /nfs/dbraw/zinc/41/42/38/1024414238.db2.gz QRNRSVXLMLBASO-KRWDZBQOSA-N 1 0 319.445 3.762 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000790995991 1024415409 /nfs/dbraw/zinc/41/54/09/1024415409.db2.gz UBIMDVRWYFJVEL-GOSISDBHSA-N 1 0 302.462 3.724 20 10 DHCDRO CC(C)=CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000790997164 1024415959 /nfs/dbraw/zinc/41/59/59/1024415959.db2.gz PZWKZCVDGRFXNZ-UHFFFAOYSA-N 1 0 303.406 3.641 20 10 DHCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972106 1024419589 /nfs/dbraw/zinc/41/95/89/1024419589.db2.gz DDHAYMRHJXEPNX-MEDUHNTESA-N 1 0 315.816 3.726 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388074 1024423116 /nfs/dbraw/zinc/42/31/16/1024423116.db2.gz LRJRXAUCWFUSHE-ROUUACIJSA-N 1 0 319.408 3.607 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398642 1024428132 /nfs/dbraw/zinc/42/81/32/1024428132.db2.gz RLDUKLFJBWRMBX-LJQANCHMSA-N 1 0 321.424 3.737 20 10 DHCDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000178513989 1024458814 /nfs/dbraw/zinc/45/88/14/1024458814.db2.gz BNTZRBKEFUZKSC-AWEZNQCLSA-N 1 0 316.449 3.542 20 10 DHCDRO Fc1cc(C[NH2+]CCC2=CCCCC2)ccc1N1CCOCC1 ZINC000066969706 1024493362 /nfs/dbraw/zinc/49/33/62/1024493362.db2.gz WRUBHNNGAOLDQM-UHFFFAOYSA-N 1 0 318.436 3.642 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c(O)c1 ZINC000877042496 1033218253 /nfs/dbraw/zinc/21/82/53/1033218253.db2.gz RXJWPPHLSDYNDG-HXUWFJFHSA-N 1 0 311.425 3.958 20 10 DHCDRO COc1ccc2c(c1)CN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792164583 1024638431 /nfs/dbraw/zinc/63/84/31/1024638431.db2.gz LXLDXECWQBBHOD-UHFFFAOYSA-N 1 0 321.779 3.752 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000792182916 1024643584 /nfs/dbraw/zinc/64/35/84/1024643584.db2.gz GFSQHIUKJBHZPQ-UHFFFAOYSA-N 1 0 320.776 3.860 20 10 DHCDRO CCc1ccc([C@@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)cc1 ZINC000792189986 1024645137 /nfs/dbraw/zinc/64/51/37/1024645137.db2.gz PPXXXADFVWXGGO-IBGZPJMESA-N 1 0 311.425 3.837 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC(C)(C)OC[C@@H]3C)c2c1 ZINC000792724815 1024782863 /nfs/dbraw/zinc/78/28/63/1024782863.db2.gz ATVKXLQITJEKMC-ZDUSSCGKSA-N 1 0 315.413 3.553 20 10 DHCDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877084257 1033234805 /nfs/dbraw/zinc/23/48/05/1033234805.db2.gz FHJSDNSPAXWQQU-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000825933972 1033241513 /nfs/dbraw/zinc/24/15/13/1033241513.db2.gz CZSCGIPZCNVVFW-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1C ZINC000134787715 1033243537 /nfs/dbraw/zinc/24/35/37/1033243537.db2.gz GDRAVYHQAVHPBK-IKICRFKJSA-N 1 0 301.430 3.617 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(O)c1 ZINC000877119216 1033244341 /nfs/dbraw/zinc/24/43/41/1033244341.db2.gz VBXOUUHXRNQAQP-QFBILLFUSA-N 1 0 311.425 3.958 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000793188099 1024930498 /nfs/dbraw/zinc/93/04/98/1024930498.db2.gz BZKBJIXYRQUNJB-LLVKDONJSA-N 1 0 318.408 3.614 20 10 DHCDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1cc(F)ccc1O ZINC000321511102 1024936734 /nfs/dbraw/zinc/93/67/34/1024936734.db2.gz FQETYWSINUQQCY-ZDUSSCGKSA-N 1 0 310.372 3.973 20 10 DHCDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1O ZINC000793233878 1024950121 /nfs/dbraw/zinc/95/01/21/1024950121.db2.gz WCFPUOGWJLSKCG-LJQANCHMSA-N 1 0 313.441 3.828 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000793260032 1024967585 /nfs/dbraw/zinc/96/75/85/1024967585.db2.gz XJIKFGFYGWQPBJ-GOSISDBHSA-N 1 0 316.489 3.781 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793255790 1024967604 /nfs/dbraw/zinc/96/76/04/1024967604.db2.gz BOEXPWIFBBQKMC-KRWDZBQOSA-N 1 0 309.409 3.528 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000279485274 1025046186 /nfs/dbraw/zinc/04/61/86/1025046186.db2.gz LDFGAWSCHKPRSL-DIFFPNOSSA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1O ZINC000793565559 1025104647 /nfs/dbraw/zinc/10/46/47/1025104647.db2.gz CDNNMHOVZYQRPF-NSHDSACASA-N 1 0 315.804 3.815 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000793576054 1025113681 /nfs/dbraw/zinc/11/36/81/1025113681.db2.gz XEPDYRQWNGXHDO-OAHLLOKOSA-N 1 0 322.456 3.912 20 10 DHCDRO c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCCC2)cc1 ZINC000107828040 1025127837 /nfs/dbraw/zinc/12/78/37/1025127837.db2.gz FUTPWVFMQQZUCH-HXUWFJFHSA-N 1 0 322.452 3.548 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000793610306 1025128824 /nfs/dbraw/zinc/12/88/24/1025128824.db2.gz STRFTKNFONXLLW-RTBURBONSA-N 1 0 302.462 3.676 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC000236878409 1025354050 /nfs/dbraw/zinc/35/40/50/1025354050.db2.gz QOBPNCDUKFYTAM-QZTJIDSGSA-N 1 0 302.462 3.580 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000137073913 1025496022 /nfs/dbraw/zinc/49/60/22/1025496022.db2.gz KXLCDKVXACUMQF-GOSISDBHSA-N 1 0 314.429 3.829 20 10 DHCDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(C)cc1O ZINC000279935387 1025512299 /nfs/dbraw/zinc/51/22/99/1025512299.db2.gz AYAYAYPWGOPYKH-QGZVFWFLSA-N 1 0 312.413 3.770 20 10 DHCDRO Cc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(O)c1 ZINC000877398000 1033293947 /nfs/dbraw/zinc/29/39/47/1033293947.db2.gz DEPWXHJBYUDWIS-UHFFFAOYSA-N 1 0 309.413 3.612 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000894016944 1025658700 /nfs/dbraw/zinc/65/87/00/1025658700.db2.gz JQTYFGMDVDYJAX-ZDUSSCGKSA-N 1 0 301.386 3.608 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)c2ccccc21 ZINC000359999630 1025734340 /nfs/dbraw/zinc/73/43/40/1025734340.db2.gz OTGWUXARXLYHTQ-DYVFJYSZSA-N 1 0 310.397 3.541 20 10 DHCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000806132511 1025777536 /nfs/dbraw/zinc/77/75/36/1025777536.db2.gz WYFWVGUXHOCHHJ-SZXPJGKVSA-N 1 0 320.452 3.718 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000077468179 1025900077 /nfs/dbraw/zinc/90/00/77/1025900077.db2.gz GZSYOEXRJWHMMY-HXUWFJFHSA-N 1 0 312.457 3.746 20 10 DHCDRO COc1c(Cl)cccc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000897483300 1025901898 /nfs/dbraw/zinc/90/18/98/1025901898.db2.gz ONBZCXKUQQFPRL-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC001308359580 1025911046 /nfs/dbraw/zinc/91/10/46/1025911046.db2.gz YXRDQBADQOSJAV-JTQLQIEISA-N 1 0 309.207 3.642 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000729682261 1025926788 /nfs/dbraw/zinc/92/67/88/1025926788.db2.gz YXMOPGBKIAZARY-SFHVURJKSA-N 1 0 315.505 3.639 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000729682685 1025940711 /nfs/dbraw/zinc/94/07/11/1025940711.db2.gz ZAFDKDWKUPCFDI-FQEVSTJZSA-N 1 0 323.484 3.507 20 10 DHCDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccccc1O ZINC000248385372 1025953314 /nfs/dbraw/zinc/95/33/14/1025953314.db2.gz IDXMZQYBETVGKC-VFVRVIDISA-N 1 0 303.377 3.694 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(Cl)cc1O ZINC000841746837 1026049961 /nfs/dbraw/zinc/04/99/61/1026049961.db2.gz LMNLVJPCJCVABF-LBPRGKRZSA-N 1 0 304.821 3.962 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289868458 1026209784 /nfs/dbraw/zinc/20/97/84/1026209784.db2.gz RHXUVTUSUBAUGN-FZKQIMNGSA-N 1 0 317.454 3.901 20 10 DHCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894187489 1026335900 /nfs/dbraw/zinc/33/59/00/1026335900.db2.gz KFFKQYZHDVRWRW-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808679898 1026346902 /nfs/dbraw/zinc/34/69/02/1026346902.db2.gz DORVKZFPRMATEZ-IRXDYDNUSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808691757 1026349792 /nfs/dbraw/zinc/34/97/92/1026349792.db2.gz NOMVWYGIKQZCIT-YPMHNXCESA-N 1 0 321.852 3.846 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808693107 1026349981 /nfs/dbraw/zinc/34/99/81/1026349981.db2.gz WCABVSIUFFWORL-WDEREUQCSA-N 1 0 307.825 3.808 20 10 DHCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000808688175 1026350603 /nfs/dbraw/zinc/35/06/03/1026350603.db2.gz PFTXLDQTGOASSP-MRXNPFEDSA-N 1 0 313.372 3.546 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808675035 1026352793 /nfs/dbraw/zinc/35/27/93/1026352793.db2.gz UTKNQRMXKTWAKF-LBPRGKRZSA-N 1 0 307.825 3.669 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1O ZINC000808679627 1026356130 /nfs/dbraw/zinc/35/61/30/1026356130.db2.gz VIVNNEMNDHHYNA-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cccc(NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808706955 1026358332 /nfs/dbraw/zinc/35/83/32/1026358332.db2.gz XWXGHTJTMYYATM-ZDUSSCGKSA-N 1 0 319.836 3.820 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1O ZINC000808707722 1026360203 /nfs/dbraw/zinc/36/02/03/1026360203.db2.gz WTFIMXZSOUCTLN-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1O ZINC000808707720 1026360710 /nfs/dbraw/zinc/36/07/10/1026360710.db2.gz WTFIMXZSOUCTLN-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000808715308 1026362471 /nfs/dbraw/zinc/36/24/71/1026362471.db2.gz TZFBIUFWBCFTQT-FZMZJTMJSA-N 1 0 309.793 3.721 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000808715310 1026363786 /nfs/dbraw/zinc/36/37/86/1026363786.db2.gz TZFBIUFWBCFTQT-RISCZKNCSA-N 1 0 309.793 3.721 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000808728626 1026370994 /nfs/dbraw/zinc/37/09/94/1026370994.db2.gz SVXXMYAQLGGLEC-RDJZCZTQSA-N 1 0 310.441 3.970 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c1O ZINC000808701613 1026374782 /nfs/dbraw/zinc/37/47/82/1026374782.db2.gz CNTHUDWMHOERKM-JECHBYEQSA-N 1 0 317.816 3.663 20 10 DHCDRO CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000808733629 1026383899 /nfs/dbraw/zinc/38/38/99/1026383899.db2.gz YXUIZZPSDBOWNU-YDHLFZDLSA-N 1 0 308.441 3.790 20 10 DHCDRO CCOC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000178864744 1026434702 /nfs/dbraw/zinc/43/47/02/1026434702.db2.gz IEXRXRMRNGIPQH-UHFFFAOYSA-N 1 0 321.461 3.699 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1F ZINC000758498121 1026437430 /nfs/dbraw/zinc/43/74/30/1026437430.db2.gz HTAXHXNBSBJWQV-QGZVFWFLSA-N 1 0 308.441 3.577 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(C)cc1O ZINC000279997910 1026571554 /nfs/dbraw/zinc/57/15/54/1026571554.db2.gz FRSMGNXRPXWDOA-RHSMWYFYSA-N 1 0 301.434 3.583 20 10 DHCDRO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000809703672 1026598774 /nfs/dbraw/zinc/59/87/74/1026598774.db2.gz SKSRGLAADRMOKG-FQEVSTJZSA-N 1 0 311.425 3.646 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1c(F)cncc1F ZINC000809715389 1026601966 /nfs/dbraw/zinc/60/19/66/1026601966.db2.gz ASGQSZLKDLGWRO-SSDOTTSWSA-N 1 0 316.710 3.709 20 10 DHCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(Br)ccc1O ZINC000809766994 1026605436 /nfs/dbraw/zinc/60/54/36/1026605436.db2.gz DBYHJCUAJQHGPV-GFCCVEGCSA-N 1 0 318.280 3.728 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc3cc(F)ccc3o2)c1O ZINC000809739842 1026610762 /nfs/dbraw/zinc/61/07/62/1026610762.db2.gz FKNAAMAQGSXBBQ-UHFFFAOYSA-N 1 0 301.317 3.576 20 10 DHCDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809780524 1026623049 /nfs/dbraw/zinc/62/30/49/1026623049.db2.gz AQCPBSMXBVHJEU-KRWDZBQOSA-N 1 0 315.413 3.993 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000809787248 1026625856 /nfs/dbraw/zinc/62/58/56/1026625856.db2.gz XDYUBWQDITVFEN-GFCCVEGCSA-N 1 0 310.235 3.777 20 10 DHCDRO CC[C@H]([NH2+]C1(COC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810232474 1026714910 /nfs/dbraw/zinc/71/49/10/1026714910.db2.gz GUTAJAQYUWEIHC-LBPRGKRZSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@H]([NH2+]CCN(CC)CC)c1ccc(C(F)(F)F)cc1O ZINC000810207929 1026716696 /nfs/dbraw/zinc/71/66/96/1026716696.db2.gz POEBJVJIGCLLCK-AWEZNQCLSA-N 1 0 318.383 3.794 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(C(F)(F)F)cc1O ZINC000810261058 1026721177 /nfs/dbraw/zinc/72/11/77/1026721177.db2.gz SVPGPPRVLNMUDH-WCQYABFASA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810238589 1026724807 /nfs/dbraw/zinc/72/48/07/1026724807.db2.gz LAYAMDUJPKWYGI-OPQQBVKSSA-N 1 0 305.340 3.875 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810238388 1026725375 /nfs/dbraw/zinc/72/53/75/1026725375.db2.gz ZUNLZJVVAXONPS-RISCZKNCSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000810239304 1026726146 /nfs/dbraw/zinc/72/61/46/1026726146.db2.gz TVIIXCMDWIEPPE-MGPQQGTHSA-N 1 0 317.351 3.755 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810238766 1026726316 /nfs/dbraw/zinc/72/63/16/1026726316.db2.gz MSCOHUPWMKBBFJ-IACUBPJLSA-N 1 0 317.351 3.611 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238332 1026726394 /nfs/dbraw/zinc/72/63/94/1026726394.db2.gz JFKDNFDLQIFYNP-OSMZGAPFSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810257014 1026731077 /nfs/dbraw/zinc/73/10/77/1026731077.db2.gz LAYAMDUJPKWYGI-BREBYQMCSA-N 1 0 305.340 3.875 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Br)ccc1O ZINC000810257995 1026731798 /nfs/dbraw/zinc/73/17/98/1026731798.db2.gz XTXSCODHXKHDBW-GIPNMCIBSA-N 1 0 316.239 3.619 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000810257216 1026732022 /nfs/dbraw/zinc/73/20/22/1026732022.db2.gz NMAAIOGYIREYSN-GMTAPVOTSA-N 1 0 316.239 3.537 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1F ZINC000811519434 1027020292 /nfs/dbraw/zinc/02/02/92/1027020292.db2.gz XIQLCDMDSJLQSH-SFHVURJKSA-N 1 0 322.468 3.559 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811518440 1027020524 /nfs/dbraw/zinc/02/05/24/1027020524.db2.gz KMHUVLYLQLKKHI-WBVHZDCISA-N 1 0 321.848 3.888 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000811511907 1027027828 /nfs/dbraw/zinc/02/78/28/1027027828.db2.gz XGJRFWZTUVTSPD-OAHLLOKOSA-N 1 0 307.434 3.570 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1C ZINC000811513128 1027029072 /nfs/dbraw/zinc/02/90/72/1027029072.db2.gz WNZVJTNZOPFHFD-OAQYLSRUSA-N 1 0 323.436 3.979 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1O ZINC000271752317 1027137147 /nfs/dbraw/zinc/13/71/47/1027137147.db2.gz XYELBBFQPKAYRE-CQSZACIVSA-N 1 0 316.357 3.550 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](CC)c1ccccc1O ZINC000295196772 1027138976 /nfs/dbraw/zinc/13/89/76/1027138976.db2.gz YAZYIVOLWMCXBW-AAEUAGOBSA-N 1 0 305.340 3.790 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)c1c(F)cccc1F ZINC000271850174 1027161548 /nfs/dbraw/zinc/16/15/48/1027161548.db2.gz SXKNFPHEXVAPEC-QAPCUYQASA-N 1 0 321.367 3.581 20 10 DHCDRO COc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000812291055 1027235764 /nfs/dbraw/zinc/23/57/64/1027235764.db2.gz JNOHJBUVDQASAP-HNNXBMFYSA-N 1 0 321.461 3.698 20 10 DHCDRO CO[C@](C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000812772427 1027398759 /nfs/dbraw/zinc/39/87/59/1027398759.db2.gz DPODVAARKSIIGS-HXUWFJFHSA-N 1 0 311.425 3.964 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000295838284 1027455310 /nfs/dbraw/zinc/45/53/10/1027455310.db2.gz AJWRUHMTLPKLGF-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2scnc2C)cc1 ZINC000295840137 1027455340 /nfs/dbraw/zinc/45/53/40/1027455340.db2.gz AMIZKLCTKLEPDJ-ZDUSSCGKSA-N 1 0 303.475 3.801 20 10 DHCDRO Cn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(-c2ccccc2)n1 ZINC000296238093 1027582833 /nfs/dbraw/zinc/58/28/33/1027582833.db2.gz ARNJMYBEPJFXKT-QGZVFWFLSA-N 1 0 319.408 3.570 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000778120404 1027608438 /nfs/dbraw/zinc/60/84/38/1027608438.db2.gz FVKYEFYSPIQWCF-MRXNPFEDSA-N 1 0 319.401 3.560 20 10 DHCDRO COCCCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296374784 1027618348 /nfs/dbraw/zinc/61/83/48/1027618348.db2.gz KELHHYIGRRYVJS-UHFFFAOYSA-N 1 0 318.486 3.901 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000747854632 1027626932 /nfs/dbraw/zinc/62/69/32/1027626932.db2.gz ULELHFSUANHIFB-UHFFFAOYSA-N 1 0 317.404 3.969 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1C ZINC000813791738 1027714406 /nfs/dbraw/zinc/71/44/06/1027714406.db2.gz JTHHRHWHIPAFFF-INIZCTEOSA-N 1 0 314.404 3.511 20 10 DHCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000778993837 1027730585 /nfs/dbraw/zinc/73/05/85/1027730585.db2.gz ATTDYLKFBGZVFO-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000778994172 1027730636 /nfs/dbraw/zinc/73/06/36/1027730636.db2.gz IFANHYOGCGOCPE-UHFFFAOYSA-N 1 0 323.371 3.697 20 10 DHCDRO COC1CCN(c2ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000296819175 1027740396 /nfs/dbraw/zinc/74/03/96/1027740396.db2.gz QULBXZUOJJAOFO-QZTJIDSGSA-N 1 0 314.473 3.534 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877925 1027747497 /nfs/dbraw/zinc/74/74/97/1027747497.db2.gz HLSVTFHMEXZZMH-ZWNOBZJWSA-N 1 0 319.276 3.937 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000779002752 1027749651 /nfs/dbraw/zinc/74/96/51/1027749651.db2.gz NUQBYWDSJGHHKI-IEBWSBKVSA-N 1 0 315.388 3.619 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000779002751 1027750286 /nfs/dbraw/zinc/75/02/86/1027750286.db2.gz NUQBYWDSJGHHKI-HKUYNNGSSA-N 1 0 315.388 3.619 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000779003793 1027756966 /nfs/dbraw/zinc/75/69/66/1027756966.db2.gz POLCBBATLUPHTP-UHFFFAOYSA-N 1 0 303.446 3.954 20 10 DHCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000297416396 1027807113 /nfs/dbraw/zinc/80/71/13/1027807113.db2.gz UJITWISPZJHJSI-CVEARBPZSA-N 1 0 322.468 3.875 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735102 1027852198 /nfs/dbraw/zinc/85/21/98/1027852198.db2.gz BNYJXZAEQDTACK-INIZCTEOSA-N 1 0 311.425 3.966 20 10 DHCDRO COc1cc(C[NH2+]CC[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000527738140 1027866530 /nfs/dbraw/zinc/86/65/30/1027866530.db2.gz KBXMKUAMUBNYLZ-AWEZNQCLSA-N 1 0 321.461 3.605 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000778215664 1027905310 /nfs/dbraw/zinc/90/53/10/1027905310.db2.gz CBCZQUZKAKAEHZ-UYAOXDASSA-N 1 0 318.505 3.954 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000366475032 1028085134 /nfs/dbraw/zinc/08/51/34/1028085134.db2.gz OYYCCEHOUNOSQG-HWPZZCPQSA-N 1 0 323.845 3.899 20 10 DHCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000779058088 1028108165 /nfs/dbraw/zinc/10/81/65/1028108165.db2.gz JKWQYLPGDYTKIG-UHFFFAOYSA-N 1 0 303.377 3.998 20 10 DHCDRO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000779082794 1028196250 /nfs/dbraw/zinc/19/62/50/1028196250.db2.gz QZSVFGWIBXYUET-OAHLLOKOSA-N 1 0 323.440 3.575 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000779087375 1028221766 /nfs/dbraw/zinc/22/17/66/1028221766.db2.gz LBDVSUILGPMSOF-PZROIBLQSA-N 1 0 301.361 3.574 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159925193 1028321147 /nfs/dbraw/zinc/32/11/47/1028321147.db2.gz KCOHHLLAJTUKPR-KDOFPFPSSA-N 1 0 318.486 3.763 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1N(C)C ZINC000815080546 1028353616 /nfs/dbraw/zinc/35/36/16/1028353616.db2.gz SMMYKPVECAGUPX-IEBWSBKVSA-N 1 0 316.489 3.700 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000815112724 1028358297 /nfs/dbraw/zinc/35/82/97/1028358297.db2.gz ZSSPGQIRCMDGQR-LEWJYISDSA-N 1 0 323.484 3.678 20 10 DHCDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000815124145 1028369275 /nfs/dbraw/zinc/36/92/75/1028369275.db2.gz ODFJHLDCNKISOL-UHFFFAOYSA-N 1 0 313.445 3.763 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152222 1028382040 /nfs/dbraw/zinc/38/20/40/1028382040.db2.gz JKTHBQUVNUUZHK-UHFFFAOYSA-N 1 0 301.695 3.753 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000368621912 1028385002 /nfs/dbraw/zinc/38/50/02/1028385002.db2.gz BLPDIJFWGHZRQG-LLVKDONJSA-N 1 0 307.777 3.637 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c(O)c1C ZINC000368653552 1028387645 /nfs/dbraw/zinc/38/76/45/1028387645.db2.gz SUXHQMYPYMWRNW-KYNGSXCRSA-N 1 0 303.446 3.865 20 10 DHCDRO COc1cccc(C[NH2+]CCc2cc3ccccc3s2)c1O ZINC000815148632 1028401798 /nfs/dbraw/zinc/40/17/98/1028401798.db2.gz CBRCAIZTIFRJMV-UHFFFAOYSA-N 1 0 313.422 3.948 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)c(O)c1 ZINC000815554086 1028540387 /nfs/dbraw/zinc/54/03/87/1028540387.db2.gz RGCWKPIOPRHMLO-MRXNPFEDSA-N 1 0 304.478 3.924 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2cccc(F)c2)c(O)c1 ZINC000815563691 1028545396 /nfs/dbraw/zinc/54/53/96/1028545396.db2.gz LCBPKBBRNIITDR-CQSZACIVSA-N 1 0 303.377 3.878 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cc[nH]n1 ZINC000815576945 1028551051 /nfs/dbraw/zinc/55/10/51/1028551051.db2.gz CCCAPZHVWZXMFE-SFHVURJKSA-N 1 0 307.397 3.579 20 10 DHCDRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2O)c2ccccn2)cc1 ZINC000370033413 1028554795 /nfs/dbraw/zinc/55/47/95/1028554795.db2.gz PGSRQSMMJCDHKZ-HXUWFJFHSA-N 1 0 304.393 3.975 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c(O)c1 ZINC000815585188 1028555771 /nfs/dbraw/zinc/55/57/71/1028555771.db2.gz AMMWSUFZQPZOAN-INIZCTEOSA-N 1 0 323.440 3.858 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c(O)c1 ZINC000815593541 1028558793 /nfs/dbraw/zinc/55/87/93/1028558793.db2.gz PMDKKEAUPAGUMF-CQSZACIVSA-N 1 0 313.397 3.631 20 10 DHCDRO CSc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)ccn1 ZINC000815589688 1028559147 /nfs/dbraw/zinc/55/91/47/1028559147.db2.gz AJHCNFGWYAGAFZ-ZDUSSCGKSA-N 1 0 302.443 3.977 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c(O)c1 ZINC000815594837 1028561126 /nfs/dbraw/zinc/56/11/26/1028561126.db2.gz ZHWADLGXVCHGPU-MLGOLLRUSA-N 1 0 321.367 3.671 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c(O)c1 ZINC000815623484 1028574029 /nfs/dbraw/zinc/57/40/29/1028574029.db2.gz YTHLVSRNLXDYSY-WMZOPIPTSA-N 1 0 313.441 3.653 20 10 DHCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000815651220 1028595530 /nfs/dbraw/zinc/59/55/30/1028595530.db2.gz NYCBEGVDUSVLAN-DNVCBOLYSA-N 1 0 302.462 3.753 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371326622 1028689071 /nfs/dbraw/zinc/68/90/71/1028689071.db2.gz JORIOCGVDQNCKM-MOPGFXCFSA-N 1 0 314.473 3.535 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000371411185 1028704694 /nfs/dbraw/zinc/70/46/94/1028704694.db2.gz MEGCOABJZMWLPC-SFHVURJKSA-N 1 0 324.472 3.702 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2)c1O ZINC000371762263 1028755178 /nfs/dbraw/zinc/75/51/78/1028755178.db2.gz GYIYNIQCPUGCEX-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO Oc1c(C[NH+]2CCC(n3ccnc3)CC2)ccc2ccccc21 ZINC000816498318 1028890968 /nfs/dbraw/zinc/89/09/68/1028890968.db2.gz PVXUBFGGKKKGML-UHFFFAOYSA-N 1 0 307.397 3.579 20 10 DHCDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816536404 1028922092 /nfs/dbraw/zinc/92/20/92/1028922092.db2.gz VKJJLHFEDKPSNL-UHFFFAOYSA-N 1 0 308.337 3.743 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816531510 1028922975 /nfs/dbraw/zinc/92/29/75/1028922975.db2.gz UKFUXKITRCDDPJ-UHFFFAOYSA-N 1 0 320.392 3.794 20 10 DHCDRO COc1ccc(OCC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816530598 1028923754 /nfs/dbraw/zinc/92/37/54/1028923754.db2.gz NRWPVYMGYKBDGG-UHFFFAOYSA-N 1 0 323.392 3.723 20 10 DHCDRO Cc1nc(C)c(CC[NH2+]Cc2ccc3ccccc3c2O)s1 ZINC000816549777 1028930870 /nfs/dbraw/zinc/93/08/70/1028930870.db2.gz XXIIATUFTGVRPQ-UHFFFAOYSA-N 1 0 312.438 3.951 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521705 1028931837 /nfs/dbraw/zinc/93/18/37/1028931837.db2.gz XBSYGDLHACIQTL-AEFFLSMTSA-N 1 0 311.425 3.794 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C12CCC2 ZINC000816551748 1028941562 /nfs/dbraw/zinc/94/15/62/1028941562.db2.gz NVAQXCIIVPEQSB-MSOLQXFVSA-N 1 0 311.425 3.983 20 10 DHCDRO Oc1c(C[NH2+]CCOCc2ccccc2)ccc2ccccc21 ZINC000816555862 1028941687 /nfs/dbraw/zinc/94/16/87/1028941687.db2.gz RSZNRUXBYDYYIY-UHFFFAOYSA-N 1 0 307.393 3.852 20 10 DHCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816552549 1028942733 /nfs/dbraw/zinc/94/27/33/1028942733.db2.gz PLRCJPYKHWURFV-IBGZPJMESA-N 1 0 301.430 3.822 20 10 DHCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559262 1028944017 /nfs/dbraw/zinc/94/40/17/1028944017.db2.gz CSBHSAWMQNWVLS-DYVFJYSZSA-N 1 0 311.381 3.740 20 10 DHCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816561319 1028945941 /nfs/dbraw/zinc/94/59/41/1028945941.db2.gz SSLKGOARCUNRMR-FQEVSTJZSA-N 1 0 320.436 3.938 20 10 DHCDRO Oc1c(CNc2cnn(-c3cc[nH+]cc3)c2)ccc2ccccc21 ZINC000816563267 1028946602 /nfs/dbraw/zinc/94/66/02/1028946602.db2.gz QPOVBTJYFRVRBI-UHFFFAOYSA-N 1 0 316.364 3.738 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574981 1028953644 /nfs/dbraw/zinc/95/36/44/1028953644.db2.gz YMQMAUJFEUDHGQ-GOSISDBHSA-N 1 0 311.425 3.936 20 10 DHCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000816675829 1028987266 /nfs/dbraw/zinc/98/72/66/1028987266.db2.gz MKIHBMAIRIOKHH-HXUWFJFHSA-N 1 0 316.489 3.924 20 10 DHCDRO C[N@H+](Cc1c(O)ccc2ccncc21)C1CC(OC(C)(C)C)C1 ZINC000817372111 1029140513 /nfs/dbraw/zinc/14/05/13/1029140513.db2.gz GKFMVUDYCLYLGS-UHFFFAOYSA-N 1 0 314.429 3.718 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccncc1Cl ZINC000817574216 1029200721 /nfs/dbraw/zinc/20/07/21/1029200721.db2.gz MHIWHMFLGFORHW-CYBMUJFWSA-N 1 0 315.848 3.968 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4cccnc4CC3)ccc21 ZINC000817573455 1029201252 /nfs/dbraw/zinc/20/12/52/1029201252.db2.gz DUXUFDUEIRELRB-IBGZPJMESA-N 1 0 321.468 3.501 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000155247567 1029209537 /nfs/dbraw/zinc/20/95/37/1029209537.db2.gz CMQVRHRSOMHHCM-PKOBYXMFSA-N 1 0 312.457 3.606 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000155348031 1029226922 /nfs/dbraw/zinc/22/69/22/1029226922.db2.gz FHTPJCWEBLCENN-CVEARBPZSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000155358866 1029227924 /nfs/dbraw/zinc/22/79/24/1029227924.db2.gz JTFHZOYWKOPTQD-CABCVRRESA-N 1 0 300.402 3.528 20 10 DHCDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940008 1029281617 /nfs/dbraw/zinc/28/16/17/1029281617.db2.gz DTOJPNWGEQWTLM-KUHUBIRLSA-N 1 0 315.436 3.551 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817938476 1029282943 /nfs/dbraw/zinc/28/29/43/1029282943.db2.gz LDEDVBCNBZKDLJ-RTBURBONSA-N 1 0 315.436 3.632 20 10 DHCDRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938403 1029283367 /nfs/dbraw/zinc/28/33/67/1029283367.db2.gz JVXQTPJLAZEBSH-UZLBHIALSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1csc(Cl)c1 ZINC000817940744 1029284807 /nfs/dbraw/zinc/28/48/07/1029284807.db2.gz HPEHQGPMOKYBKI-XHDPSFHLSA-N 1 0 323.893 3.818 20 10 DHCDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817946116 1029287813 /nfs/dbraw/zinc/28/78/13/1029287813.db2.gz RVBLWBJIKUAZHW-RDJZCZTQSA-N 1 0 319.468 3.609 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(C2CC2)c1 ZINC000817943833 1029288471 /nfs/dbraw/zinc/28/84/71/1029288471.db2.gz VTWCVFTZOYJZRV-YCRPNKLZSA-N 1 0 323.484 3.981 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954955 1029293402 /nfs/dbraw/zinc/29/34/02/1029293402.db2.gz NLAJGDZPLMNFLY-HZPDHXFCSA-N 1 0 304.821 3.786 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954956 1029294219 /nfs/dbraw/zinc/29/42/19/1029294219.db2.gz NLAJGDZPLMNFLY-JKSUJKDBSA-N 1 0 304.821 3.786 20 10 DHCDRO CC(C)[C@H](COCc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817957420 1029296535 /nfs/dbraw/zinc/29/65/35/1029296535.db2.gz MDRNGULNCDFWNY-FQEVSTJZSA-N 1 0 312.457 3.642 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000817956970 1029297025 /nfs/dbraw/zinc/29/70/25/1029297025.db2.gz GRMJMAGOSBXFPH-QGZVFWFLSA-N 1 0 316.832 3.968 20 10 DHCDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956714 1029298203 /nfs/dbraw/zinc/29/82/03/1029298203.db2.gz BAQGTKKAZQICHZ-MJGOQNOKSA-N 1 0 309.457 3.831 20 10 DHCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Cl)c1F ZINC000817957404 1029298448 /nfs/dbraw/zinc/29/84/48/1029298448.db2.gz MBOJNVVFAAIKQT-INIZCTEOSA-N 1 0 322.811 3.581 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817960627 1029300922 /nfs/dbraw/zinc/30/09/22/1029300922.db2.gz OLSAWBJGEGWEMR-COPLHBTASA-N 1 0 316.367 3.579 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966224 1029307714 /nfs/dbraw/zinc/30/77/14/1029307714.db2.gz JGJZJNIDUNKZFU-BMIGLBTASA-N 1 0 317.260 3.739 20 10 DHCDRO CC[NH2+][C@H](C)CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000817972931 1029312268 /nfs/dbraw/zinc/31/22/68/1029312268.db2.gz QCWDXWJBNQWZJN-APWZRJJASA-N 1 0 312.457 3.654 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000817976447 1029314304 /nfs/dbraw/zinc/31/43/04/1029314304.db2.gz YKGAMXJIDHCKCS-XJKCOSOUSA-N 1 0 310.869 3.851 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980494 1029316933 /nfs/dbraw/zinc/31/69/33/1029316933.db2.gz CAXMYDZKYXTNPZ-KWBADKCTSA-N 1 0 317.260 3.867 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980492 1029318267 /nfs/dbraw/zinc/31/82/67/1029318267.db2.gz CAXMYDZKYXTNPZ-CWSCBRNRSA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817984687 1029319228 /nfs/dbraw/zinc/31/92/28/1029319228.db2.gz XIVLLFMNPARUSL-RDJZCZTQSA-N 1 0 319.468 3.609 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985284 1029322493 /nfs/dbraw/zinc/32/24/93/1029322493.db2.gz IWPRUZDGNWUJJL-WFASDCNBSA-N 1 0 308.853 3.761 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C(C)C)C3CC3)C2)cc1 ZINC000818342607 1029375879 /nfs/dbraw/zinc/37/58/79/1029375879.db2.gz SRDJFJOFPZLPIH-DNVCBOLYSA-N 1 0 302.462 3.546 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccccc1O ZINC000156252594 1029422545 /nfs/dbraw/zinc/42/25/45/1029422545.db2.gz RAABYQALALEZOA-OAJLEGQYSA-N 1 0 309.475 3.513 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000156381188 1029446041 /nfs/dbraw/zinc/44/60/41/1029446041.db2.gz KRVXVEUSBBLGHL-LPHOPBHVSA-N 1 0 302.462 3.897 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cccc(OC)c1O)c1ccc(F)cc1 ZINC000865659598 1029965393 /nfs/dbraw/zinc/96/53/93/1029965393.db2.gz CSRZDDLLNILJBF-SFHVURJKSA-N 1 0 303.377 3.955 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000290257191 1029969885 /nfs/dbraw/zinc/96/98/85/1029969885.db2.gz WGFQNZHWTYYOTA-BETUJISGSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000865726949 1029992681 /nfs/dbraw/zinc/99/26/81/1029992681.db2.gz WKQRVTPNGPQDKZ-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865759993 1030008684 /nfs/dbraw/zinc/00/86/84/1030008684.db2.gz WZJTXFJCEPKMDD-CDDIUSEKSA-N 1 0 314.473 3.561 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1O)c1cccc(OC)c1OC ZINC000865758738 1030010279 /nfs/dbraw/zinc/01/02/79/1030010279.db2.gz MSIWHNNWWZYQGG-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000822476583 1030039749 /nfs/dbraw/zinc/03/97/49/1030039749.db2.gz PUMPKJKZUBEBNV-AMBYYYRHSA-N 1 0 302.462 3.565 20 10 DHCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290445941 1030051127 /nfs/dbraw/zinc/05/11/27/1030051127.db2.gz MBRCUTWJIPKRKN-UHFFFAOYSA-N 1 0 321.852 3.717 20 10 DHCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924646519 1030149446 /nfs/dbraw/zinc/14/94/46/1030149446.db2.gz BVMKNVUEIMSKDI-QUCCMNQESA-N 1 0 316.489 3.708 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000822869998 1030154808 /nfs/dbraw/zinc/15/48/08/1030154808.db2.gz PGHBZQQHEBDIDO-DGCLKSJQSA-N 1 0 301.261 3.987 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000866248910 1030180618 /nfs/dbraw/zinc/18/06/18/1030180618.db2.gz UKVRWRXRMHZQTE-HXUWFJFHSA-N 1 0 309.457 3.951 20 10 DHCDRO F[C@H]1COc2ccccc2[C@H]1[NH2+]CCCSc1nccs1 ZINC000866270186 1030191794 /nfs/dbraw/zinc/19/17/94/1030191794.db2.gz SYTLQUXBQLZINW-GXTWGEPZSA-N 1 0 324.446 3.687 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(O)cc(F)c1 ZINC000924862146 1030209779 /nfs/dbraw/zinc/20/97/79/1030209779.db2.gz OVDZBVUVMBMOBT-LLVKDONJSA-N 1 0 306.356 3.587 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000290821748 1030210594 /nfs/dbraw/zinc/21/05/94/1030210594.db2.gz HBLVJNAIOGOTQC-UHFFFAOYSA-N 1 0 310.228 3.744 20 10 DHCDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCSc1nccs1 ZINC000925100695 1030273267 /nfs/dbraw/zinc/27/32/67/1030273267.db2.gz DOSQHEIDHFBTDM-GXTWGEPZSA-N 1 0 302.509 3.545 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000291038267 1030305365 /nfs/dbraw/zinc/30/53/65/1030305365.db2.gz YXZJLHVQCCMWLH-CVEARBPZSA-N 1 0 307.821 3.579 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000866464738 1030307864 /nfs/dbraw/zinc/30/78/64/1030307864.db2.gz YKIMUBOFQPOMEF-YHAQOWFVSA-N 1 0 313.319 3.508 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000866510218 1030335680 /nfs/dbraw/zinc/33/56/80/1030335680.db2.gz LDTZRJKJAQHINI-POZUXBRTSA-N 1 0 302.462 3.608 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1 ZINC000866539190 1030358706 /nfs/dbraw/zinc/35/87/06/1030358706.db2.gz INVQZIGXXZYAKA-XIRDDKMYSA-N 1 0 303.446 3.722 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000866568744 1030382907 /nfs/dbraw/zinc/38/29/07/1030382907.db2.gz CBAUDDBWPLRXPW-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000866623915 1030411138 /nfs/dbraw/zinc/41/11/38/1030411138.db2.gz WQJGQYOUJCURGO-NHYWBVRUSA-N 1 0 311.372 3.813 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000866623936 1030411852 /nfs/dbraw/zinc/41/18/52/1030411852.db2.gz WTVKWDBPZFJJBF-CXAGYDPISA-N 1 0 305.418 3.543 20 10 DHCDRO C[C@@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000925772590 1030489881 /nfs/dbraw/zinc/48/98/81/1030489881.db2.gz UTKMBAQNTSLELU-OAHLLOKOSA-N 1 0 310.445 3.505 20 10 DHCDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000121884588 1030492788 /nfs/dbraw/zinc/49/27/88/1030492788.db2.gz RDZNXEMAVVMAPX-MRXNPFEDSA-N 1 0 304.478 3.879 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)c(O)c1 ZINC000824320799 1030524132 /nfs/dbraw/zinc/52/41/32/1030524132.db2.gz KKXCLOBFQLVCFD-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000824482961 1030564493 /nfs/dbraw/zinc/56/44/93/1030564493.db2.gz FENGPEICVJKLLD-CHWSQXEVSA-N 1 0 315.438 3.941 20 10 DHCDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824555328 1030580013 /nfs/dbraw/zinc/58/00/13/1030580013.db2.gz FIRHCZDXMRPXRE-SNVBAGLBSA-N 1 0 310.191 3.941 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccsc3)C1)CCC2 ZINC000122186295 1030591184 /nfs/dbraw/zinc/59/11/84/1030591184.db2.gz WFNKCVNMNULGGI-SFHVURJKSA-N 1 0 315.438 3.516 20 10 DHCDRO Cc1cc(O)c(CN2CCO[C@H](c3cccs3)C2)cc1Cl ZINC000824632663 1030597691 /nfs/dbraw/zinc/59/76/91/1030597691.db2.gz PECNYYBMTZXQMC-HNNXBMFYSA-N 1 0 323.845 3.989 20 10 DHCDRO CCC[N@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000824649557 1030597804 /nfs/dbraw/zinc/59/78/04/1030597804.db2.gz FCZLKKMPRRGTJV-UHFFFAOYSA-N 1 0 313.445 3.805 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000291735555 1030622899 /nfs/dbraw/zinc/62/28/99/1030622899.db2.gz OGRKUHHROCPJNV-ACJLOTCBSA-N 1 0 317.454 3.863 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000824815584 1030647284 /nfs/dbraw/zinc/64/72/84/1030647284.db2.gz UGQAJOSFRGDURJ-APWZRJJASA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905909 1030665190 /nfs/dbraw/zinc/66/51/90/1030665190.db2.gz IKBOHXPNTIOSNZ-OAHLLOKOSA-N 1 0 319.836 3.597 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N(C)C)cc1 ZINC000122430175 1030702137 /nfs/dbraw/zinc/70/21/37/1030702137.db2.gz ZARYCLFYUYHMJX-AWEZNQCLSA-N 1 0 315.436 3.809 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045506 1030705720 /nfs/dbraw/zinc/70/57/20/1030705720.db2.gz FTPOVPZBPJYWLF-ZDUSSCGKSA-N 1 0 307.315 3.895 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(C)C)nc2)cc1Cl ZINC000825120533 1030726462 /nfs/dbraw/zinc/72/64/62/1030726462.db2.gz LMPVXSZRNSHZNQ-UHFFFAOYSA-N 1 0 320.820 3.826 20 10 DHCDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000825112405 1030728093 /nfs/dbraw/zinc/72/80/93/1030728093.db2.gz SYZHVVXUQOXXCU-GOSISDBHSA-N 1 0 308.425 3.682 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000825127262 1030730181 /nfs/dbraw/zinc/73/01/81/1030730181.db2.gz WNFAXJJYIMGSJM-NJAFHUGGSA-N 1 0 302.487 3.518 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1F ZINC000825133826 1030733742 /nfs/dbraw/zinc/73/37/42/1030733742.db2.gz MYJDCUXNRHVRMN-OAHLLOKOSA-N 1 0 308.441 3.578 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccccc1O ZINC000291981531 1030736955 /nfs/dbraw/zinc/73/69/55/1030736955.db2.gz VKMCDWDRSLDPKI-NVGCLXPQSA-N 1 0 303.427 3.807 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1Cl ZINC000825279786 1030763607 /nfs/dbraw/zinc/76/36/07/1030763607.db2.gz XSPMQDVWJMLACN-OAHLLOKOSA-N 1 0 317.820 3.620 20 10 DHCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825451727 1030813809 /nfs/dbraw/zinc/81/38/09/1030813809.db2.gz ZHBIVJOXTXHKIO-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926594941 1030816867 /nfs/dbraw/zinc/81/68/67/1030816867.db2.gz FNSIRGAUHOZDBX-NVOXVDHGSA-N 1 0 316.489 3.539 20 10 DHCDRO COc1cc(C[N@H+]2CCC[C@@H](OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000825490293 1030826479 /nfs/dbraw/zinc/82/64/79/1030826479.db2.gz WEQRMXBBMSBNEK-OAHLLOKOSA-N 1 0 321.461 3.699 20 10 DHCDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237378333 1030853250 /nfs/dbraw/zinc/85/32/50/1030853250.db2.gz GFPWZCWJJGDBMO-MRXNPFEDSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000122798234 1030870610 /nfs/dbraw/zinc/87/06/10/1030870610.db2.gz BQLXKKPSWMEMEL-AWEZNQCLSA-N 1 0 312.413 3.641 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926905895 1030981127 /nfs/dbraw/zinc/98/11/27/1030981127.db2.gz QZVFRUXXOWDAEP-OSAQELSMSA-N 1 0 317.351 3.933 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915716 1030988568 /nfs/dbraw/zinc/98/85/68/1030988568.db2.gz LVEIJDHLYBQQKQ-WDMOLILDSA-N 1 0 303.324 3.543 20 10 DHCDRO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220156 1030996310 /nfs/dbraw/zinc/99/63/10/1030996310.db2.gz TTWLGYHAOCWKBM-ZDUSSCGKSA-N 1 0 313.445 3.945 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000926930268 1031003816 /nfs/dbraw/zinc/00/38/16/1031003816.db2.gz HMYCBWHJJMUSKT-GFCCVEGCSA-N 1 0 302.443 3.539 20 10 DHCDRO C[N@H+](Cc1cc(Cl)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179315668 1031079412 /nfs/dbraw/zinc/07/94/12/1031079412.db2.gz SMVWLKTXPBFHOF-UHFFFAOYSA-N 1 0 306.749 3.586 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000927101254 1031086514 /nfs/dbraw/zinc/08/65/14/1031086514.db2.gz KYPXXTJEYZRXRC-NSHDSACASA-N 1 0 319.836 3.816 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1O ZINC000927099986 1031088420 /nfs/dbraw/zinc/08/84/20/1031088420.db2.gz DTXWRWSVJBQTTI-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000927118084 1031103247 /nfs/dbraw/zinc/10/32/47/1031103247.db2.gz DNFCPLBEXNUVHU-GMBSWORKSA-N 1 0 318.436 3.503 20 10 DHCDRO C[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccccc1O ZINC000870988502 1031117443 /nfs/dbraw/zinc/11/74/43/1031117443.db2.gz QVELXNIUGCNYAO-ZBFHGGJFSA-N 1 0 318.461 3.647 20 10 DHCDRO C[C@H](CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237472993 1031121051 /nfs/dbraw/zinc/12/10/51/1031121051.db2.gz LNZXAKYDOKDXSC-CYBMUJFWSA-N 1 0 307.478 3.848 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc(SC)cc2)c1 ZINC000797877759 1031131409 /nfs/dbraw/zinc/13/14/09/1031131409.db2.gz BZKNDPGRBMABNP-UHFFFAOYSA-N 1 0 317.454 3.845 20 10 DHCDRO COc1cccc(C[N@H+](C)CCc2ccc(Cl)cc2)c1O ZINC000123622931 1031218141 /nfs/dbraw/zinc/21/81/41/1031218141.db2.gz NNEAEXGJGDLZPU-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135791 1031225510 /nfs/dbraw/zinc/22/55/10/1031225510.db2.gz OYFPHKNXWSOJKL-KRWDZBQOSA-N 1 0 313.828 3.961 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000293043567 1031300646 /nfs/dbraw/zinc/30/06/46/1031300646.db2.gz QXOKMPJPADGDIR-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144179460 1031303370 /nfs/dbraw/zinc/30/33/70/1031303370.db2.gz GJSHBPRNNJGKAM-UHFFFAOYSA-N 1 0 320.440 3.795 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1cc(Cl)ccc1O ZINC000872135447 1031530177 /nfs/dbraw/zinc/53/01/77/1031530177.db2.gz WWCDDLHACFUFDL-BXUZGUMPSA-N 1 0 305.809 3.946 20 10 DHCDRO Cc1nonc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000872136602 1031530607 /nfs/dbraw/zinc/53/06/07/1031530607.db2.gz NOPAAHOEXCFXKB-QGZVFWFLSA-N 1 0 323.396 3.547 20 10 DHCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1O ZINC000872259836 1031565734 /nfs/dbraw/zinc/56/57/34/1031565734.db2.gz LDQQXPXQGIGMLQ-SFHVURJKSA-N 1 0 303.446 3.878 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1C(C)C ZINC000872679343 1031643594 /nfs/dbraw/zinc/64/35/94/1031643594.db2.gz WESCLNABJDWIJD-MRXNPFEDSA-N 1 0 313.388 3.680 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c(O)c1 ZINC000293842767 1031653098 /nfs/dbraw/zinc/65/30/98/1031653098.db2.gz SYCNMFIEMYCTTJ-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000872807328 1031664821 /nfs/dbraw/zinc/66/48/21/1031664821.db2.gz NKOOWWIOSAWQFV-CQSZACIVSA-N 1 0 302.443 3.763 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000872817450 1031666287 /nfs/dbraw/zinc/66/62/87/1031666287.db2.gz ZTVUEIROEZNXMT-OCCSQVGLSA-N 1 0 317.351 3.551 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(C)nn(CC)c2C)cc1C ZINC000873038216 1031695861 /nfs/dbraw/zinc/69/58/61/1031695861.db2.gz MMIBBDZLIJFGPZ-UHFFFAOYSA-N 1 0 315.461 3.907 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc(N(C)C)cc1 ZINC000873108309 1031711930 /nfs/dbraw/zinc/71/19/30/1031711930.db2.gz GYWYWQMDMXWJEJ-AWEZNQCLSA-N 1 0 306.413 3.547 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc(N(C)C)cc1 ZINC000873108311 1031713287 /nfs/dbraw/zinc/71/32/87/1031713287.db2.gz GYWYWQMDMXWJEJ-CQSZACIVSA-N 1 0 306.413 3.547 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1C ZINC000873135142 1031721944 /nfs/dbraw/zinc/72/19/44/1031721944.db2.gz HBBNQVZJMPPOBE-DRSNIGMVSA-N 1 0 323.502 3.563 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000873183308 1031745797 /nfs/dbraw/zinc/74/57/97/1031745797.db2.gz CXFJSVCSVLEDKG-LBPRGKRZSA-N 1 0 317.364 3.651 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)nc1 ZINC000873186694 1031748467 /nfs/dbraw/zinc/74/84/67/1031748467.db2.gz VUJIHBLUEXKKFM-NSHDSACASA-N 1 0 322.330 3.886 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1Cl ZINC000825667056 1031780383 /nfs/dbraw/zinc/78/03/83/1031780383.db2.gz SUWDPZFPXAGXMT-AWEZNQCLSA-N 1 0 321.852 3.617 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873272175 1031784832 /nfs/dbraw/zinc/78/48/32/1031784832.db2.gz QBJXPSNUFYEIRY-VHSXEESVSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000845970889 1031788255 /nfs/dbraw/zinc/78/82/55/1031788255.db2.gz FIABPAQTZHMXTF-NSHDSACASA-N 1 0 321.804 3.919 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000845973444 1031788751 /nfs/dbraw/zinc/78/87/51/1031788751.db2.gz ZRVVBGUOONTGNM-LLVKDONJSA-N 1 0 318.442 3.976 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1O ZINC000845999492 1031801332 /nfs/dbraw/zinc/80/13/32/1031801332.db2.gz AKVCTKGZCPVTFX-LJQANCHMSA-N 1 0 315.388 3.704 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016398 1031809586 /nfs/dbraw/zinc/80/95/86/1031809586.db2.gz VLGMYWAPCWVPCD-UHFFFAOYSA-N 1 0 323.717 3.912 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846033844 1031823249 /nfs/dbraw/zinc/82/32/49/1031823249.db2.gz BNPYLQKFKRZMLF-FZKQIMNGSA-N 1 0 319.832 3.740 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)c(O)c1 ZINC000361268173 1031825006 /nfs/dbraw/zinc/82/50/06/1031825006.db2.gz GNHAMGIMSPIMQI-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000846071855 1031846759 /nfs/dbraw/zinc/84/67/59/1031846759.db2.gz BGKPWPYOUPNJMP-HNNXBMFYSA-N 1 0 311.425 3.964 20 10 DHCDRO Oc1cc(F)c(F)cc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001142520574 1031848684 /nfs/dbraw/zinc/84/86/84/1031848684.db2.gz LPIGXEOGFHOOAG-OAHLLOKOSA-N 1 0 324.415 3.511 20 10 DHCDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157773 1031887965 /nfs/dbraw/zinc/88/79/65/1031887965.db2.gz FWTSWYWDJPRAHE-QWHCGFSZSA-N 1 0 300.402 3.770 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159405 1031890890 /nfs/dbraw/zinc/89/08/90/1031890890.db2.gz OFIMNMILSCMYLJ-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159407 1031891859 /nfs/dbraw/zinc/89/18/59/1031891859.db2.gz OFIMNMILSCMYLJ-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000846165014 1031893918 /nfs/dbraw/zinc/89/39/18/1031893918.db2.gz KFUPMBKRQVLFFZ-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1O ZINC000846164988 1031895417 /nfs/dbraw/zinc/89/54/17/1031895417.db2.gz MFOQKMRKMYIWEW-PWSUYJOCSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCC2CCC(OC)CC2)c1O ZINC000846166240 1031895490 /nfs/dbraw/zinc/89/54/90/1031895490.db2.gz UAIHXNJMCSCNHV-NFOMZHRRSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000846169495 1031898460 /nfs/dbraw/zinc/89/84/60/1031898460.db2.gz RFYWQVMXWZRHSI-ZQIUZPCESA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCSc2ccccc2)c1O ZINC000846135489 1031901480 /nfs/dbraw/zinc/90/14/80/1031901480.db2.gz CZNAMZVAVQBQHO-CYBMUJFWSA-N 1 0 303.427 3.844 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)COc2ccccc2)c1O ZINC000846141097 1031903342 /nfs/dbraw/zinc/90/33/42/1031903342.db2.gz DFLXCLJMRPLECI-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1O ZINC000846141305 1031903731 /nfs/dbraw/zinc/90/37/31/1031903731.db2.gz HOZMWJRDDRTTIN-XJKSGUPXSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)c1O ZINC000846142587 1031904503 /nfs/dbraw/zinc/90/45/03/1031904503.db2.gz FNYZGFBHXGIPHS-HUUCEWRRSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897997320 1031904624 /nfs/dbraw/zinc/90/46/24/1031904624.db2.gz BLZSGVQXDAWTNF-SFHVURJKSA-N 1 0 314.429 3.981 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1O ZINC000846143460 1031906979 /nfs/dbraw/zinc/90/69/79/1031906979.db2.gz BYBNUNSOMJEUBH-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCSc2nccs2)c1O ZINC000846147946 1031910946 /nfs/dbraw/zinc/91/09/46/1031910946.db2.gz WBZMBXKDJHQKCG-NSHDSACASA-N 1 0 324.471 3.690 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846181442 1031916824 /nfs/dbraw/zinc/91/68/24/1031916824.db2.gz AXUDHRMVPDJFHY-ZJNRKIDTSA-N 1 0 303.377 3.612 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846181436 1031917313 /nfs/dbraw/zinc/91/73/13/1031917313.db2.gz AXUDHRMVPDJFHY-LXIYXOSZSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187025 1031920036 /nfs/dbraw/zinc/92/00/36/1031920036.db2.gz GXSLZFYZITVOGZ-LIRRHRJNSA-N 1 0 302.462 3.608 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000124803302 1031972492 /nfs/dbraw/zinc/97/24/92/1031972492.db2.gz PZEIHNMFVYPOLB-KUHUBIRLSA-N 1 0 316.420 3.666 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H]2CCCc3sccc32)cc1OC ZINC000137029735 1033318210 /nfs/dbraw/zinc/31/82/10/1033318210.db2.gz SODGJTBQIZVICJ-ZDUSSCGKSA-N 1 0 319.426 3.638 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC(C)(C)C1 ZINC000877492129 1033322053 /nfs/dbraw/zinc/32/20/53/1033322053.db2.gz SFYUHHKBFSDWJT-SFHVURJKSA-N 1 0 316.489 3.658 20 10 DHCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877503221 1033328896 /nfs/dbraw/zinc/32/88/96/1033328896.db2.gz GTOGANPACREDJB-INIZCTEOSA-N 1 0 301.361 3.625 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cccc2OC)c1 ZINC000877533582 1033339476 /nfs/dbraw/zinc/33/94/76/1033339476.db2.gz PUJWPYSQQFDGMS-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000877664150 1033403515 /nfs/dbraw/zinc/40/35/15/1033403515.db2.gz LUSDWJOWRFSCRD-UHFFFAOYSA-N 1 0 314.477 3.526 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)o1 ZINC000877697118 1033412912 /nfs/dbraw/zinc/41/29/12/1033412912.db2.gz BFMAZYWFUJOJHI-UHFFFAOYSA-N 1 0 310.191 3.654 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)c1cccc(OC)c1OC ZINC000877708345 1033418981 /nfs/dbraw/zinc/41/89/81/1033418981.db2.gz IZZFPPVNZCULQE-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1ccc(-c2nn(C)cc2C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000877755419 1033432111 /nfs/dbraw/zinc/43/21/11/1033432111.db2.gz ANWQEZHYSMODAM-CYBMUJFWSA-N 1 0 311.385 3.545 20 10 DHCDRO Cc1ccnc(C[NH2+][C@@H](C)c2ccccc2O)c1Br ZINC000877758365 1033434021 /nfs/dbraw/zinc/43/40/21/1033434021.db2.gz WHLZLXKQEPFIAY-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccccc1O ZINC000877756606 1033434525 /nfs/dbraw/zinc/43/45/25/1033434525.db2.gz XKOXVRNOQYCTLB-UONOGXRCSA-N 1 0 309.413 3.940 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000152101862 1033502610 /nfs/dbraw/zinc/50/26/10/1033502610.db2.gz BZYNNIUSZLPNEX-STQMWFEESA-N 1 0 301.434 3.639 20 10 DHCDRO CCOc1cccc(C[NH2+][C@](C)(CC)c2nccs2)c1O ZINC000152654736 1033534368 /nfs/dbraw/zinc/53/43/68/1033534368.db2.gz OJRQFPQATLITJT-MRXNPFEDSA-N 1 0 306.431 3.662 20 10 DHCDRO C[C@@H](O)C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000153250429 1033568168 /nfs/dbraw/zinc/56/81/68/1033568168.db2.gz LQUBFAQJEVFGFU-HIFRSBDPSA-N 1 0 319.832 3.690 20 10 DHCDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000127126745 1033720117 /nfs/dbraw/zinc/72/01/17/1033720117.db2.gz KPGFAWBFHKLXEE-QGZVFWFLSA-N 1 0 312.461 3.614 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862394425 1033839394 /nfs/dbraw/zinc/83/93/94/1033839394.db2.gz JCIWOPQRUYRGHD-AWEZNQCLSA-N 1 0 315.436 3.624 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000862485205 1033866871 /nfs/dbraw/zinc/86/68/71/1033866871.db2.gz JUKQXAILHZGHDD-HOCLYGCPSA-N 1 0 319.445 3.500 20 10 DHCDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000862498609 1033871353 /nfs/dbraw/zinc/87/13/53/1033871353.db2.gz QOVJSYJVOQIDFW-UHFFFAOYSA-N 1 0 317.376 3.571 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)cc1F ZINC000862540172 1033880475 /nfs/dbraw/zinc/88/04/75/1033880475.db2.gz APPRPHWNUIQHLN-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862550478 1033886301 /nfs/dbraw/zinc/88/63/01/1033886301.db2.gz LVNMLDIQNDMNSQ-ZRUQZJFASA-N 1 0 305.418 3.588 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000174502396 1033937108 /nfs/dbraw/zinc/93/71/08/1033937108.db2.gz RMZHETGUYDUNJM-QGZVFWFLSA-N 1 0 303.475 3.933 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)CC(C)(C)OC)ccc1OC ZINC000174553464 1033941338 /nfs/dbraw/zinc/94/13/38/1033941338.db2.gz UGQPZVSGBGGNEC-AWEZNQCLSA-N 1 0 309.450 3.525 20 10 DHCDRO COc1cc(O)c(C[NH2+]C2(C3CCCCC3)CC2)cc1OC ZINC000898461377 1034031157 /nfs/dbraw/zinc/03/11/57/1034031157.db2.gz BBIQYCAYEZAYFT-UHFFFAOYSA-N 1 0 305.418 3.612 20 10 DHCDRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649056 1034071355 /nfs/dbraw/zinc/07/13/55/1034071355.db2.gz KOHBIYANCFZDLT-ZIAGYGMSSA-N 1 0 312.413 3.632 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000879650956 1034073182 /nfs/dbraw/zinc/07/31/82/1034073182.db2.gz ZUANFJGSHKGELZ-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(F)c1 ZINC000879651660 1034075321 /nfs/dbraw/zinc/07/53/21/1034075321.db2.gz FVGAZQGNVZHWTR-QWHCGFSZSA-N 1 0 316.376 3.518 20 10 DHCDRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879650479 1034075469 /nfs/dbraw/zinc/07/54/69/1034075469.db2.gz CDIDJOUAXPLAHL-AWEZNQCLSA-N 1 0 313.397 3.808 20 10 DHCDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652006 1034076000 /nfs/dbraw/zinc/07/60/00/1034076000.db2.gz SUVOHPCWUWBKIG-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120468 1034119733 /nfs/dbraw/zinc/11/97/33/1034119733.db2.gz DQFDUNOOXGACKG-WBVHZDCISA-N 1 0 317.816 3.662 20 10 DHCDRO Oc1ccccc1C[N@H+](CCOCC1CCC1)Cc1ccco1 ZINC000842152968 1034179257 /nfs/dbraw/zinc/17/92/57/1034179257.db2.gz LDJZCBPXCOZLHS-UHFFFAOYSA-N 1 0 315.413 3.804 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000842163101 1034219541 /nfs/dbraw/zinc/21/95/41/1034219541.db2.gz JZXSWYSVEPEGLB-BBWFWOEESA-N 1 0 316.489 3.778 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000178697690 1034257434 /nfs/dbraw/zinc/25/74/34/1034257434.db2.gz LQIIEALQYNTGLX-HZPDHXFCSA-N 1 0 314.477 3.635 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880458593 1034334067 /nfs/dbraw/zinc/33/40/67/1034334067.db2.gz YGUPSKWHOUBWHB-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179832187 1034338989 /nfs/dbraw/zinc/33/89/89/1034338989.db2.gz ONRQHVFOIBQOGX-UHFFFAOYSA-N 1 0 315.505 3.639 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccs3)C1)CCC2 ZINC000128444160 1034344697 /nfs/dbraw/zinc/34/46/97/1034344697.db2.gz OFSWPVOAXVPUBI-QGZVFWFLSA-N 1 0 315.438 3.516 20 10 DHCDRO COc1ccc(COCCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183485977 1034391126 /nfs/dbraw/zinc/39/11/26/1034391126.db2.gz LULHSBMXSCJOSM-HNNXBMFYSA-N 1 0 315.413 3.658 20 10 DHCDRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183517005 1034393470 /nfs/dbraw/zinc/39/34/70/1034393470.db2.gz XPWIOXBGPSKREO-AUUYWEPGSA-N 1 0 315.413 3.564 20 10 DHCDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183501883 1034394310 /nfs/dbraw/zinc/39/43/10/1034394310.db2.gz NFKYPOBIUYLBIK-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183534371 1034396423 /nfs/dbraw/zinc/39/64/23/1034396423.db2.gz HPWDEDJPSAFJMP-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO Cc1nc(C(F)(F)F)c(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000183611799 1034404507 /nfs/dbraw/zinc/40/45/07/1034404507.db2.gz UYKIBGFGVIHZMC-UHFFFAOYSA-N 1 0 316.348 3.808 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccccc1O ZINC000183717061 1034413104 /nfs/dbraw/zinc/41/31/04/1034413104.db2.gz AMXBNTAQUIFGOP-ZDUSSCGKSA-N 1 0 300.402 3.815 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccccc1OC)c1ccc(C)cc1O ZINC000794797376 1034468345 /nfs/dbraw/zinc/46/83/45/1034468345.db2.gz YGXZQETVVBNAKC-INIZCTEOSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794800562 1034470063 /nfs/dbraw/zinc/47/00/63/1034470063.db2.gz DBRUBLNEMPWHMS-YJBOKZPZSA-N 1 0 324.424 3.547 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nc(C)cs1 ZINC000184392813 1034470227 /nfs/dbraw/zinc/47/02/27/1034470227.db2.gz XBPLDCURFYWQRV-AWEZNQCLSA-N 1 0 322.405 3.740 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccc(C)cc1O ZINC000794797960 1034471168 /nfs/dbraw/zinc/47/11/68/1034471168.db2.gz RMYMIAJTEJIMFV-MSOLQXFVSA-N 1 0 304.478 3.862 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000184744990 1034498461 /nfs/dbraw/zinc/49/84/61/1034498461.db2.gz MPNCOCLQVYEHEL-NSHDSACASA-N 1 0 306.793 3.642 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000184845457 1034505112 /nfs/dbraw/zinc/50/51/12/1034505112.db2.gz PIUKPSLFYJBRTH-GHMZBOCLSA-N 1 0 321.218 3.962 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794809710 1034510753 /nfs/dbraw/zinc/51/07/53/1034510753.db2.gz IROIVKPDQKXPAB-JLJPHGGASA-N 1 0 303.402 3.847 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000184944258 1034516014 /nfs/dbraw/zinc/51/60/14/1034516014.db2.gz ODVIQVPHGKWQOL-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794814541 1034519267 /nfs/dbraw/zinc/51/92/67/1034519267.db2.gz LSMCSPIFRFQDJH-ZFWWWQNUSA-N 1 0 322.449 3.655 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000185085386 1034527708 /nfs/dbraw/zinc/52/77/08/1034527708.db2.gz VHMNNJYSBFZBHG-HNNXBMFYSA-N 1 0 313.445 3.793 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1O ZINC000185207679 1034535005 /nfs/dbraw/zinc/53/50/05/1034535005.db2.gz DAXSZYJZHNOXBG-QGZVFWFLSA-N 1 0 311.429 3.628 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1O ZINC000794817764 1034538610 /nfs/dbraw/zinc/53/86/10/1034538610.db2.gz VQHJYWKKKVCEGT-HKUYNNGSSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817739 1034539635 /nfs/dbraw/zinc/53/96/35/1034539635.db2.gz VLFIVGYFOMSOTI-KRWDZBQOSA-N 1 0 323.440 3.871 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCc2nc(C)cs2)c1 ZINC000185318862 1034540333 /nfs/dbraw/zinc/54/03/33/1034540333.db2.gz PGEZHWVKIPYBSX-CYBMUJFWSA-N 1 0 320.458 3.839 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323099 1034540943 /nfs/dbraw/zinc/54/09/43/1034540943.db2.gz REVUGVWANQURBI-CQSZACIVSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(C)cc1O ZINC000794819249 1034541519 /nfs/dbraw/zinc/54/15/19/1034541519.db2.gz VYGQVXQESWGCCY-KRWDZBQOSA-N 1 0 311.429 3.651 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C)cc1O ZINC000794819681 1034544136 /nfs/dbraw/zinc/54/41/36/1034544136.db2.gz XHKFVMIBIXSLMA-AZUAARDMSA-N 1 0 311.425 3.575 20 10 DHCDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C)cc1O ZINC000794829989 1034547449 /nfs/dbraw/zinc/54/74/49/1034547449.db2.gz XAGRYTVMQSRASV-GFCCVEGCSA-N 1 0 323.330 3.658 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185465292 1034548963 /nfs/dbraw/zinc/54/89/63/1034548963.db2.gz XAORUZKISWOCQL-IFXJQAMLSA-N 1 0 311.425 3.655 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185525178 1034554922 /nfs/dbraw/zinc/55/49/22/1034554922.db2.gz MECKTVWSYSCLFS-ZFWWWQNUSA-N 1 0 319.832 3.862 20 10 DHCDRO Cc1cc(Nc2ccc(CCc3ccc(N)cc3)cc2)cc[nH+]1 ZINC001174656533 1034556538 /nfs/dbraw/zinc/55/65/38/1034556538.db2.gz DEYOSLMRBBVZKW-UHFFFAOYSA-N 1 0 303.409 3.923 20 10 DHCDRO Cc1cc(Nc2cc(Br)cc(Cl)c2O)cc[nH+]1 ZINC001174660454 1034559937 /nfs/dbraw/zinc/55/99/37/1034559937.db2.gz MBNHNNZUPIRJAG-UHFFFAOYSA-N 1 0 313.582 3.677 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185648936 1034561624 /nfs/dbraw/zinc/56/16/24/1034561624.db2.gz LDBRBLYKIIIPOI-ZDUSSCGKSA-N 1 0 306.425 3.589 20 10 DHCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000794834084 1034564043 /nfs/dbraw/zinc/56/40/43/1034564043.db2.gz XBRNUHCUBATYFM-HUUCEWRRSA-N 1 0 304.478 3.652 20 10 DHCDRO COCCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000185747690 1034571263 /nfs/dbraw/zinc/57/12/63/1034571263.db2.gz VDHCDGGISCYAHU-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c1 ZINC000186040943 1034593743 /nfs/dbraw/zinc/59/37/43/1034593743.db2.gz IWTIEZFFTPMRJJ-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO CSC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000186080854 1034598881 /nfs/dbraw/zinc/59/88/81/1034598881.db2.gz OTHIGABNRXOROS-NSHDSACASA-N 1 0 315.866 3.608 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000186159559 1034603862 /nfs/dbraw/zinc/60/38/62/1034603862.db2.gz MHKIUXPEUIEZAD-KXBFYZLASA-N 1 0 311.425 3.865 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000186196590 1034606647 /nfs/dbraw/zinc/60/66/47/1034606647.db2.gz RCSAZIDYVXNQMW-GTNSWQLSSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000186774299 1034660540 /nfs/dbraw/zinc/66/05/40/1034660540.db2.gz FDSOIHGTGJBQKQ-JSGCOSHPSA-N 1 0 303.475 3.972 20 10 DHCDRO COc1cccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1O ZINC000093838254 1035335513 /nfs/dbraw/zinc/33/55/13/1035335513.db2.gz IVSKAPCDEKZWME-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC001177093909 1035349174 /nfs/dbraw/zinc/34/91/74/1035349174.db2.gz VOIDHEVKCGONTE-MAUKXSAKSA-N 1 0 313.445 3.608 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCN2CCC(C)CC2)cc1C ZINC001177261936 1035361221 /nfs/dbraw/zinc/36/12/21/1035361221.db2.gz LJBBGEVDNXIVKM-UHFFFAOYSA-N 1 0 304.478 3.605 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c(Cl)c1 ZINC001177278136 1035362731 /nfs/dbraw/zinc/36/27/31/1035362731.db2.gz RZUAPJAGRCYLCF-UONOGXRCSA-N 1 0 310.869 3.707 20 10 DHCDRO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483410 1035372444 /nfs/dbraw/zinc/37/24/44/1035372444.db2.gz QSUXQYLIJAWVKW-IEBWSBKVSA-N 1 0 316.489 3.829 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c(Cl)c1 ZINC001177441434 1035372700 /nfs/dbraw/zinc/37/27/00/1035372700.db2.gz ATUXQOSQDJXROU-ACJLOTCBSA-N 1 0 324.896 3.954 20 10 DHCDRO COC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177536992 1035378626 /nfs/dbraw/zinc/37/86/26/1035378626.db2.gz HZYHPMQKRCCFHR-KRWDZBQOSA-N 1 0 324.468 3.621 20 10 DHCDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC001177799948 1035393773 /nfs/dbraw/zinc/39/37/73/1035393773.db2.gz OOKMPIWIRODBAK-ZDUSSCGKSA-N 1 0 304.413 3.520 20 10 DHCDRO CC(C)C([NH2+]Cc1c(O)cccc1Br)C(C)C ZINC001178125001 1035411968 /nfs/dbraw/zinc/41/19/68/1035411968.db2.gz QQVCXNPDVIGQAB-UHFFFAOYSA-N 1 0 300.240 3.925 20 10 DHCDRO CC(C)CSCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001178412404 1035429097 /nfs/dbraw/zinc/42/90/97/1035429097.db2.gz PPTHHTGKEFHHQZ-UHFFFAOYSA-N 1 0 302.434 3.510 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000773752135 1035437466 /nfs/dbraw/zinc/43/74/66/1035437466.db2.gz IBRMAXYHIAZOFP-KRWDZBQOSA-N 1 0 312.457 3.526 20 10 DHCDRO CCN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000773754007 1035438066 /nfs/dbraw/zinc/43/80/66/1035438066.db2.gz JDWNSMTVWIWVNQ-UXHICEINSA-N 1 0 315.505 3.590 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC001178810477 1035448705 /nfs/dbraw/zinc/44/87/05/1035448705.db2.gz JJZGQDLYFCCOFY-QGZVFWFLSA-N 1 0 314.473 3.765 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)C2(O)CCCC2)cc1 ZINC001178958857 1035457750 /nfs/dbraw/zinc/45/77/50/1035457750.db2.gz RRQSSCNREHUTGC-BQYQJAHWSA-N 1 0 316.489 3.687 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)C[C@@H]3C)C2)cc1 ZINC001179128972 1035466099 /nfs/dbraw/zinc/46/60/99/1035466099.db2.gz KBOMOCOMHWOBFB-MPGHIAIKSA-N 1 0 302.462 3.688 20 10 DHCDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC001179139435 1035466138 /nfs/dbraw/zinc/46/61/38/1035466138.db2.gz HFLBZZFQPHLVBW-MRXNPFEDSA-N 1 0 321.484 3.634 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2OCc3ccccc32)cc1 ZINC001179800560 1035505292 /nfs/dbraw/zinc/50/52/92/1035505292.db2.gz UJKZCEULUUCRHR-FQEVSTJZSA-N 1 0 310.441 3.894 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898458 1035520033 /nfs/dbraw/zinc/52/00/33/1035520033.db2.gz OAPBQKCYBYLPQE-CVEARBPZSA-N 1 0 311.853 3.989 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898461 1035523344 /nfs/dbraw/zinc/52/33/44/1035523344.db2.gz OAPBQKCYBYLPQE-JKSUJKDBSA-N 1 0 311.853 3.989 20 10 DHCDRO CO[C@]1(C)C[C@@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001179958189 1035558120 /nfs/dbraw/zinc/55/81/20/1035558120.db2.gz WRPUVZPIROPCEN-WDJFIJIBSA-N 1 0 316.489 3.901 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC001180149089 1035610577 /nfs/dbraw/zinc/61/05/77/1035610577.db2.gz UOAQEJJUAQKDJT-JXFKEZNVSA-N 1 0 311.425 3.971 20 10 DHCDRO CC(C)c1ccc(O)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC001180547061 1035718227 /nfs/dbraw/zinc/71/82/27/1035718227.db2.gz VEJURETVGRYZTA-UHFFFAOYSA-N 1 0 316.489 3.966 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@H](C)CC ZINC001193840254 1035735312 /nfs/dbraw/zinc/73/53/12/1035735312.db2.gz YAEAEGWPTSHGPC-PBHICJAKSA-N 1 0 307.434 3.582 20 10 DHCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c(O)c1 ZINC001204280604 1035759246 /nfs/dbraw/zinc/75/92/46/1035759246.db2.gz LJZUSAGZEPHZNK-INIZCTEOSA-N 1 0 305.324 3.713 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c(O)c1 ZINC001181212486 1035867601 /nfs/dbraw/zinc/86/76/01/1035867601.db2.gz FHLDMZFFLGKPPV-LJQANCHMSA-N 1 0 315.388 3.780 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000906585860 1036010396 /nfs/dbraw/zinc/01/03/96/1036010396.db2.gz AOLXLFCBJUKHAC-JECHBYEQSA-N 1 0 301.361 3.747 20 10 DHCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000773963131 1036076640 /nfs/dbraw/zinc/07/66/40/1036076640.db2.gz JJYFYHJRFLTNNL-GOSISDBHSA-N 1 0 323.408 3.515 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000775648265 1036190061 /nfs/dbraw/zinc/19/00/61/1036190061.db2.gz RKBNYNSICTXFAO-UHFFFAOYSA-N 1 0 322.880 3.804 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774360998 1036298378 /nfs/dbraw/zinc/29/83/78/1036298378.db2.gz WJWNYCIHACPYBV-PAWXDDDFSA-N 1 0 304.217 3.509 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)cc1OC ZINC001182387043 1036268206 /nfs/dbraw/zinc/26/82/06/1036268206.db2.gz AOHRXMXGRXRIER-IHRRRGAJSA-N 1 0 307.434 3.714 20 10 DHCDRO COC1CCC(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001182433575 1036292281 /nfs/dbraw/zinc/29/22/81/1036292281.db2.gz KFOUXPFVSYSMQF-ZRZPHAQCSA-N 1 0 318.505 3.787 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC[C@@H](C)C2)cc1 ZINC001195790685 1036347366 /nfs/dbraw/zinc/34/73/66/1036347366.db2.gz VKIRIRFCRGYNHI-SJORKVTESA-N 1 0 304.478 3.890 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](C)C(C)(C)C)C2)cc1 ZINC001182509863 1036369624 /nfs/dbraw/zinc/36/96/24/1036369624.db2.gz YJRQSQVLMRGWLN-JKSUJKDBSA-N 1 0 304.478 3.793 20 10 DHCDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)cc(O)c1O ZINC001204346726 1036388026 /nfs/dbraw/zinc/38/80/26/1036388026.db2.gz XDVLVXWIIKZPFL-NSHDSACASA-N 1 0 321.804 3.953 20 10 DHCDRO CCOC(=O)CC[N@H+](Cc1cc(C(C)C)ccc1O)C(C)C ZINC001182624902 1036401341 /nfs/dbraw/zinc/40/13/41/1036401341.db2.gz IMPPUACTXIXQNJ-UHFFFAOYSA-N 1 0 307.434 3.679 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000775681872 1036412662 /nfs/dbraw/zinc/41/26/62/1036412662.db2.gz ULHUJGDGRPTZJZ-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(C)(c3ccccc3)CC2)c1 ZINC000775681763 1036413135 /nfs/dbraw/zinc/41/31/35/1036413135.db2.gz SVFMEHWMRVDTFR-UHFFFAOYSA-N 1 0 311.425 3.955 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1 ZINC001204354515 1036439936 /nfs/dbraw/zinc/43/99/36/1036439936.db2.gz ZMPXUYWDHHVIMR-UHFFFAOYSA-N 1 0 310.441 3.634 20 10 DHCDRO COc1ccc(O)c(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000775702565 1036483178 /nfs/dbraw/zinc/48/31/78/1036483178.db2.gz YKTZHYPXTJADKN-UHFFFAOYSA-N 1 0 315.388 3.747 20 10 DHCDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cc(C)ccc2O)cc1F ZINC001182960420 1036486588 /nfs/dbraw/zinc/48/65/88/1036486588.db2.gz RAZMGTBLIQEHTB-CQSZACIVSA-N 1 0 317.404 3.817 20 10 DHCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715824 1036534453 /nfs/dbraw/zinc/53/44/53/1036534453.db2.gz LVLIZCDEVBUWAA-JQHSSLGASA-N 1 0 303.446 3.726 20 10 DHCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715823 1036534790 /nfs/dbraw/zinc/53/47/90/1036534790.db2.gz LVLIZCDEVBUWAA-CGTJXYLNSA-N 1 0 303.446 3.726 20 10 DHCDRO OCCCCCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203561050 1036547898 /nfs/dbraw/zinc/54/78/98/1036547898.db2.gz KVIQLKKXJIQXBT-UHFFFAOYSA-N 1 0 313.441 3.947 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c1 ZINC000775724571 1036564476 /nfs/dbraw/zinc/56/44/76/1036564476.db2.gz MBWNZPSZVFSXEB-NVXWUHKLSA-N 1 0 311.425 3.854 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000775727012 1036572703 /nfs/dbraw/zinc/57/27/03/1036572703.db2.gz DYSSNWJNUGZTFO-XJKSGUPXSA-N 1 0 301.386 3.967 20 10 DHCDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000698960369 1036593224 /nfs/dbraw/zinc/59/32/24/1036593224.db2.gz GLBACLXSZKDYID-NSHDSACASA-N 1 0 306.397 3.699 20 10 DHCDRO CC(C)(C)C[NH+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)(C)C ZINC000774641885 1036608994 /nfs/dbraw/zinc/60/89/94/1036608994.db2.gz HMOBHQITCULHDR-INIZCTEOSA-N 1 0 321.461 3.712 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@H]12 ZINC000915208379 1036708626 /nfs/dbraw/zinc/70/86/26/1036708626.db2.gz GCBDKQPHDXYMLU-BPLDGKMQSA-N 1 0 303.402 3.522 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCCC1 ZINC001184217320 1036771963 /nfs/dbraw/zinc/77/19/63/1036771963.db2.gz DTFBNFMJTVYVHY-OXJNMPFZSA-N 1 0 317.521 3.914 20 10 DHCDRO C[C@H](CC1CCCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184217886 1036772200 /nfs/dbraw/zinc/77/22/00/1036772200.db2.gz JTVXKXKFZXTXCY-OXQOHEQNSA-N 1 0 317.521 3.914 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000762647091 1036894377 /nfs/dbraw/zinc/89/43/77/1036894377.db2.gz CQYLDMRLTMWCHY-BXWFABGCSA-N 1 0 302.462 3.753 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000237362717 1037004208 /nfs/dbraw/zinc/00/42/08/1037004208.db2.gz VSHMAOZYKZWPRM-OAHLLOKOSA-N 1 0 319.401 3.867 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN(C)c2ccccc2)cc1 ZINC001199014743 1037176262 /nfs/dbraw/zinc/17/62/62/1037176262.db2.gz VCULGCWBYWLXDG-VQHVLOKHSA-N 1 0 323.484 3.882 20 10 DHCDRO CCC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000152475386 1037240927 /nfs/dbraw/zinc/24/09/27/1037240927.db2.gz RJPZIJNXCFXRTJ-INIZCTEOSA-N 1 0 315.413 3.555 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C2(Cc3ccccc3)CC2)c1O ZINC000775990587 1037286442 /nfs/dbraw/zinc/28/64/42/1037286442.db2.gz VQWFKEONOVUBKO-UHFFFAOYSA-N 1 0 317.816 3.919 20 10 DHCDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776013177 1037299474 /nfs/dbraw/zinc/29/94/74/1037299474.db2.gz LAINGGNPSGNZGW-WFASDCNBSA-N 1 0 300.368 3.915 20 10 DHCDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC001199830187 1037342999 /nfs/dbraw/zinc/34/29/99/1037342999.db2.gz FERWVTFDPABCSS-UHFFFAOYSA-N 1 0 323.484 3.952 20 10 DHCDRO CCO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000775026976 1037430463 /nfs/dbraw/zinc/43/04/63/1037430463.db2.gz CSJWARICODTWTO-KRWDZBQOSA-N 1 0 305.805 3.913 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@H](OCC)c2ccccc2)c(O)c1 ZINC000775027860 1037431700 /nfs/dbraw/zinc/43/17/00/1037431700.db2.gz LMWQPPPAVVDSGJ-IBGZPJMESA-N 1 0 315.413 3.658 20 10 DHCDRO CCc1cccc2c(CC[NH2+]Cc3cc(OC)ccc3O)c[nH]c21 ZINC000776174856 1037678094 /nfs/dbraw/zinc/67/80/94/1037678094.db2.gz IATYABOKDCZGJB-UHFFFAOYSA-N 1 0 324.424 3.777 20 10 DHCDRO CCOc1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000776173807 1037678504 /nfs/dbraw/zinc/67/85/04/1037678504.db2.gz NLLFTVPFYLCDJY-UHFFFAOYSA-N 1 0 305.805 3.777 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCCC[C@@H]2C)cc1OC ZINC000776175749 1037678693 /nfs/dbraw/zinc/67/86/93/1037678693.db2.gz ZNUDEYUMNAHNTF-UONOGXRCSA-N 1 0 307.434 3.715 20 10 DHCDRO CCCN(Cc1cnc(Cl)c(C)c1)c1ccc(C[NH3+])cc1 ZINC000775139432 1037702187 /nfs/dbraw/zinc/70/21/87/1037702187.db2.gz APYJYAGNUJBSEF-UHFFFAOYSA-N 1 0 303.837 3.919 20 10 DHCDRO COc1ccc(N2CC[NH+](CCCc3ccccc3)CC2)c(C)c1 ZINC001201672294 1037826133 /nfs/dbraw/zinc/82/61/33/1037826133.db2.gz UEJGFRHGQVHVTB-UHFFFAOYSA-N 1 0 324.468 3.758 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)ccc1OC ZINC001203682738 1037909375 /nfs/dbraw/zinc/90/93/75/1037909375.db2.gz MYAQAHVTUVZMGB-SIUPPRGNSA-N 1 0 303.446 3.613 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOc2cccc(F)c2)cc1 ZINC000916845567 1037996679 /nfs/dbraw/zinc/99/66/79/1037996679.db2.gz MNUWYHWPHQGBSC-UHFFFAOYSA-N 1 0 316.420 3.841 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000776254801 1038075031 /nfs/dbraw/zinc/07/50/31/1038075031.db2.gz NQWYMUFGERLAKK-ACJLOTCBSA-N 1 0 303.377 3.706 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2cccc(C)c2O)c(C)n1 ZINC000776254103 1038075991 /nfs/dbraw/zinc/07/59/91/1038075991.db2.gz SBHXYFJQIKYEQF-UHFFFAOYSA-N 1 0 301.434 3.686 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC001190437046 1038318425 /nfs/dbraw/zinc/31/84/25/1038318425.db2.gz RKAXYYGRIJATIC-HXUWFJFHSA-N 1 0 316.489 3.658 20 10 DHCDRO CCN(C)c1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001190465540 1038326403 /nfs/dbraw/zinc/32/64/03/1038326403.db2.gz LSXNBKGHYGYCLT-UHFFFAOYSA-N 1 0 317.521 3.697 20 10 DHCDRO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1O ZINC000775414968 1038392749 /nfs/dbraw/zinc/39/27/49/1038392749.db2.gz MWFSNWNMGOFTQS-INIZCTEOSA-N 1 0 307.397 3.885 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)ccc1O ZINC000775484998 1038542918 /nfs/dbraw/zinc/54/29/18/1038542918.db2.gz LZKYYWDFYSNRRM-HNNXBMFYSA-N 1 0 315.804 3.934 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775483370 1038550379 /nfs/dbraw/zinc/55/03/79/1038550379.db2.gz SJFGIXAYWUXSQI-DOTOQJQBSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775507059 1038598394 /nfs/dbraw/zinc/59/83/94/1038598394.db2.gz GWIYHKRQOJCGML-WBVHZDCISA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000775510049 1038602624 /nfs/dbraw/zinc/60/26/24/1038602624.db2.gz USPQJKGNALXAER-ZDUSSCGKSA-N 1 0 313.825 3.818 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775536665 1038679131 /nfs/dbraw/zinc/67/91/31/1038679131.db2.gz MQPDUMZDZMIYCK-PWSUYJOCSA-N 1 0 311.731 3.664 20 10 DHCDRO Oc1cccc2c1C[N@H+](Cc1cccc(Br)c1)CC2 ZINC001203768466 1038705450 /nfs/dbraw/zinc/70/54/50/1038705450.db2.gz VGAWNQCKYHURGM-UHFFFAOYSA-N 1 0 318.214 3.713 20 10 DHCDRO CCC(CC)(C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)OC ZINC000760884389 1038963227 /nfs/dbraw/zinc/96/32/27/1038963227.db2.gz QRXHELZFDIOJQH-YPMHNXCESA-N 1 0 323.408 3.649 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000226036720 1039311155 /nfs/dbraw/zinc/31/11/55/1039311155.db2.gz VUYMYIYKUHJPGF-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2c(C)cc(C)cc21 ZINC000574564535 1039748179 /nfs/dbraw/zinc/74/81/79/1039748179.db2.gz YBVLEQFAGHMZQN-UHFFFAOYSA-N 1 0 322.452 3.658 20 10 DHCDRO CCN(CC[NH2+][C@@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000230660473 1039956218 /nfs/dbraw/zinc/95/62/18/1039956218.db2.gz SNTKSRSEKUDWQU-AWEZNQCLSA-N 1 0 322.449 3.608 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2SC)c1O ZINC000230934723 1040059997 /nfs/dbraw/zinc/05/99/97/1040059997.db2.gz JNSLMMJVXFCSIE-TZMCWYRMSA-N 1 0 315.866 3.818 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cccc(OC)c1O)c1nc(C)cs1 ZINC000174504661 1040659249 /nfs/dbraw/zinc/65/92/49/1040659249.db2.gz GJPGDMSSPHHPQO-MRXNPFEDSA-N 1 0 306.431 3.581 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000761225748 1040809658 /nfs/dbraw/zinc/80/96/58/1040809658.db2.gz LJSDGWCQCSOKHP-OAHLLOKOSA-N 1 0 320.452 3.530 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000761226275 1040816297 /nfs/dbraw/zinc/81/62/97/1040816297.db2.gz NRXSMWVYHMTCQO-OAQYLSRUSA-N 1 0 324.468 3.526 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000092659257 185331896 /nfs/dbraw/zinc/33/18/96/185331896.db2.gz HNIZQXGSBHDOLF-UHFFFAOYSA-N 1 0 312.461 3.566 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(F)ccc1O ZINC000094616954 193385195 /nfs/dbraw/zinc/38/51/95/193385195.db2.gz MVVGIKVVELQZRU-RISCZKNCSA-N 1 0 308.422 3.546 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000020145995 182192286 /nfs/dbraw/zinc/19/22/86/182192286.db2.gz IFUGKMBPWMHLEA-UHFFFAOYSA-N 1 0 319.246 3.805 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000042879415 183315804 /nfs/dbraw/zinc/31/58/04/183315804.db2.gz AGIFJSMDGQBYIU-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000042879390 183316300 /nfs/dbraw/zinc/31/63/00/183316300.db2.gz HZBYASXDJZWBFQ-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000272323260 130020091 /nfs/dbraw/zinc/02/00/91/130020091.db2.gz UUMYUJMGPVJOIE-UHFFFAOYSA-N 1 0 307.409 3.845 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1O ZINC000272842030 130068455 /nfs/dbraw/zinc/06/84/55/130068455.db2.gz JVEKPVSEPHHLOL-ABSDTBQOSA-N 1 0 324.468 3.953 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(O)c1C ZINC000273364235 130111610 /nfs/dbraw/zinc/11/16/10/130111610.db2.gz BADIDELUJKIMAX-AEFFLSMTSA-N 1 0 313.441 3.826 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273399785 130117755 /nfs/dbraw/zinc/11/77/55/130117755.db2.gz MUZWCTBDKWFZOB-CQSZACIVSA-N 1 0 313.445 3.517 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000273427472 130120626 /nfs/dbraw/zinc/12/06/26/130120626.db2.gz UOXQYUUEPXHVFC-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000273441248 130122451 /nfs/dbraw/zinc/12/24/51/130122451.db2.gz YKTYYAQLOISKDX-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273503439 130129670 /nfs/dbraw/zinc/12/96/70/130129670.db2.gz QNLIKTHCIUQVJF-OGHNNQOOSA-N 1 0 307.434 3.645 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496126 130129794 /nfs/dbraw/zinc/12/97/94/130129794.db2.gz PCWKBLWRJSAQSN-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553548 130134869 /nfs/dbraw/zinc/13/48/69/130134869.db2.gz GLGLXFGFAOHNJV-NXEZZACHSA-N 1 0 305.249 3.690 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000273562266 130136867 /nfs/dbraw/zinc/13/68/67/130136867.db2.gz IKEOZXUIHULBFE-KBPBESRZSA-N 1 0 324.424 3.631 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000274824319 130264874 /nfs/dbraw/zinc/26/48/74/130264874.db2.gz ZFHCDJPPFVWKAF-CQSZACIVSA-N 1 0 308.441 3.628 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c(OC)c1 ZINC000283925313 131034335 /nfs/dbraw/zinc/03/43/35/131034335.db2.gz DVKOEFGTSBWZCY-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367467731 131114292 /nfs/dbraw/zinc/11/42/92/131114292.db2.gz UXXULSCLTQLXEH-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000285109766 131138349 /nfs/dbraw/zinc/13/83/49/131138349.db2.gz KRVTYBASXCJTCO-AWEZNQCLSA-N 1 0 313.397 3.631 20 10 DHCDRO CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000287733405 131297327 /nfs/dbraw/zinc/29/73/27/131297327.db2.gz PGKPZMPSXJDOAU-QGZVFWFLSA-N 1 0 322.880 3.961 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)c(C)c1OC ZINC000288565043 131330612 /nfs/dbraw/zinc/33/06/12/131330612.db2.gz ZDWUYWNREVAOOU-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1OCCc2sccc21 ZINC000297346472 132011215 /nfs/dbraw/zinc/01/12/15/132011215.db2.gz OXESGWDSUSCXPA-FVMIAERFSA-N 1 0 315.438 3.733 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000119637979 132134833 /nfs/dbraw/zinc/13/48/33/132134833.db2.gz ZPZAFFGSRQISAR-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO FC(F)Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000107828176 333005297 /nfs/dbraw/zinc/00/52/97/333005297.db2.gz RLJARCLVRSVJKG-UHFFFAOYSA-N 1 0 305.324 3.513 20 10 DHCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000178018712 333134650 /nfs/dbraw/zinc/13/46/50/333134650.db2.gz KCCRGUHSUGPYQV-KRWDZBQOSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1 ZINC000185262188 333206367 /nfs/dbraw/zinc/20/63/67/333206367.db2.gz YDILKCLEWQCHKJ-CQSZACIVSA-N 1 0 312.413 3.735 20 10 DHCDRO COCc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1F ZINC000185495800 333209272 /nfs/dbraw/zinc/20/92/72/333209272.db2.gz BLKGBMNQXBEBQY-ZDUSSCGKSA-N 1 0 303.377 3.837 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000296031607 335139512 /nfs/dbraw/zinc/13/95/12/335139512.db2.gz NJHPIXIVUONFMW-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO c1c[nH]c(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000271206046 334020034 /nfs/dbraw/zinc/02/00/34/334020034.db2.gz SCAJRGHTNXOWQZ-UHFFFAOYSA-N 1 0 324.472 3.780 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1C ZINC000273464257 334047641 /nfs/dbraw/zinc/04/76/41/334047641.db2.gz DJRUTDAHPHBECB-SUMWQHHRSA-N 1 0 305.443 3.629 20 10 DHCDRO CCOC(CC[NH2+][C@H](C)c1ccc2ccccc2c1O)OCC ZINC000276507728 334080391 /nfs/dbraw/zinc/08/03/91/334080391.db2.gz KFTRVACOLQHJKY-CQSZACIVSA-N 1 0 317.429 3.985 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000192899849 336282242 /nfs/dbraw/zinc/28/22/42/336282242.db2.gz KIVUEZBYCFYNJP-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000368795965 336852955 /nfs/dbraw/zinc/85/29/55/336852955.db2.gz HYLZKQHSVNZTTA-SJLPKXTDSA-N 1 0 319.445 3.503 20 10 DHCDRO CCOC(=O)C1(C)CC[NH+]([C@@H](CC)c2ccccc2O)CC1 ZINC000368808911 336853082 /nfs/dbraw/zinc/85/30/82/336853082.db2.gz DDXGPMFIYQLYSJ-HNNXBMFYSA-N 1 0 305.418 3.509 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000374710126 336995579 /nfs/dbraw/zinc/99/55/79/336995579.db2.gz BUYCRSQPANTYCH-IRWQIABSSA-N 1 0 314.404 3.627 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375108452 337003535 /nfs/dbraw/zinc/00/35/35/337003535.db2.gz UHQBFJLMRICNAT-ZOCIIQOWSA-N 1 0 302.462 3.608 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)n1 ZINC000375236806 337006268 /nfs/dbraw/zinc/00/62/68/337006268.db2.gz JJNAPNPJQBCEKI-PWQPVHBWSA-N 1 0 319.380 3.600 20 10 DHCDRO C[C@@H]1[N@H+](Cc2c(O)ccc3ccccc32)CCC12CCOCC2 ZINC000375240869 337006526 /nfs/dbraw/zinc/00/65/26/337006526.db2.gz YLBAYRJYZMSTKQ-HNNXBMFYSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1O ZINC000375531175 337012991 /nfs/dbraw/zinc/01/29/91/337012991.db2.gz ZPMLVTZMZIMWRM-ZHALLVOQSA-N 1 0 303.446 3.606 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624216 337056698 /nfs/dbraw/zinc/05/66/98/337056698.db2.gz KLRJKGFPUHMXEH-QWQRMKEZSA-N 1 0 312.413 3.940 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000378376164 337071129 /nfs/dbraw/zinc/07/11/29/337071129.db2.gz KATXLTWSOSZQSX-UHFFFAOYSA-N 1 0 300.427 3.544 20 10 DHCDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccccc1O)CCC2 ZINC000179582112 337170225 /nfs/dbraw/zinc/17/02/25/337170225.db2.gz UDRAOQMHYITYAP-AWEZNQCLSA-N 1 0 302.443 3.921 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000179560595 337170229 /nfs/dbraw/zinc/17/02/29/337170229.db2.gz KHVOBUUNAKVLQA-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000183631787 337193985 /nfs/dbraw/zinc/19/39/85/337193985.db2.gz RSJKWIRHRJGSLV-KBPBESRZSA-N 1 0 323.396 3.897 20 10 DHCDRO Cc1cc(O)c(CN2CCSC[C@H]2c2nccs2)cc1C ZINC000184877974 337200643 /nfs/dbraw/zinc/20/06/43/337200643.db2.gz TWTHPYFWHBZMLP-AWEZNQCLSA-N 1 0 320.483 3.756 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1O ZINC000185628421 337249766 /nfs/dbraw/zinc/24/97/66/337249766.db2.gz COWDWXFAVRMJOW-MAZHCROVSA-N 1 0 303.381 3.562 20 10 DHCDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCN2C ZINC000188948119 337276713 /nfs/dbraw/zinc/27/67/13/337276713.db2.gz NRWXDMDFABLCFN-SFHVURJKSA-N 1 0 308.425 3.601 20 10 DHCDRO Cc1nc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)cs1 ZINC000189933533 337283888 /nfs/dbraw/zinc/28/38/88/337283888.db2.gz WWKTXJYUNULUIH-KRWDZBQOSA-N 1 0 301.459 3.855 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191125051 337294452 /nfs/dbraw/zinc/29/44/52/337294452.db2.gz SFCLTKVUSFJIEI-AWEZNQCLSA-N 1 0 307.752 3.798 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)c2ccccc21 ZINC000359999631 337441595 /nfs/dbraw/zinc/44/15/95/337441595.db2.gz OTGWUXARXLYHTQ-GUYCJALGSA-N 1 0 310.397 3.541 20 10 DHCDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc2ccccc2c1O ZINC000248499652 337565808 /nfs/dbraw/zinc/56/58/08/337565808.db2.gz MZAUMMKSDFRHRV-JBZDTAIVSA-N 1 0 319.404 3.854 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(C(F)(F)F)c1 ZINC000527651646 337756086 /nfs/dbraw/zinc/75/60/86/337756086.db2.gz HCIAUYQGTOBUST-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)OC)c1 ZINC000527923393 337775233 /nfs/dbraw/zinc/77/52/33/337775233.db2.gz CYKIBGHXPVKWTO-AUUYWEPGSA-N 1 0 315.413 3.748 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCCCC2)cc1 ZINC000090454603 337881124 /nfs/dbraw/zinc/88/11/24/337881124.db2.gz LAHZLAQLTOVZQB-QAPCUYQASA-N 1 0 324.472 3.608 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000513339304 340403164 /nfs/dbraw/zinc/40/31/64/340403164.db2.gz WDJUFOMNYOHPGV-CQSZACIVSA-N 1 0 308.425 3.913 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3cc(Cl)ccc31)OCO2 ZINC000238140588 341226847 /nfs/dbraw/zinc/22/68/47/341226847.db2.gz USWXWSWPHMCJSD-AWEZNQCLSA-N 1 0 317.772 3.551 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(F)ccc1O ZINC000176981195 518178222 /nfs/dbraw/zinc/17/82/22/518178222.db2.gz AFUDNAHMVWUAAY-CZUORRHYSA-N 1 0 318.392 3.612 20 10 DHCDRO COc1cc(O)c(C[NH2+]C2(c3ccccc3)CCC2)cc1OC ZINC000160039730 522779873 /nfs/dbraw/zinc/77/98/73/522779873.db2.gz QFZATGHMOCIHPC-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000127081566 522850065 /nfs/dbraw/zinc/85/00/65/522850065.db2.gz HLUOVHOPCGSMTM-NVXWUHKLSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(OC)cc1 ZINC000237017329 522882609 /nfs/dbraw/zinc/88/26/09/522882609.db2.gz MXFMVLJWFTUMTK-MRXNPFEDSA-N 1 0 301.386 3.650 20 10 DHCDRO COCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000185747672 523061973 /nfs/dbraw/zinc/06/19/73/523061973.db2.gz VDHCDGGISCYAHU-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000237255727 523983436 /nfs/dbraw/zinc/98/34/36/523983436.db2.gz NVYZZQZWNXLFIL-AWEZNQCLSA-N 1 0 315.413 3.520 20 10 DHCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185012177 524045262 /nfs/dbraw/zinc/04/52/62/524045262.db2.gz IVZWMEARKPESOJ-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)c1 ZINC000124240107 524119374 /nfs/dbraw/zinc/11/93/74/524119374.db2.gz CZVZOAAQHRPAOV-KRWDZBQOSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677800 524379473 /nfs/dbraw/zinc/37/94/73/524379473.db2.gz BHGISZDIULMCBF-FPTDNZKUSA-N 1 0 317.454 3.631 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677823 524379764 /nfs/dbraw/zinc/37/97/64/524379764.db2.gz BHGISZDIULMCBF-PEBXRYMYSA-N 1 0 317.454 3.631 20 10 DHCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000129902120 524642328 /nfs/dbraw/zinc/64/23/28/524642328.db2.gz GBCBRKOHUUHCCL-PXAZEXFGSA-N 1 0 305.805 3.647 20 10 DHCDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000266968513 525170523 /nfs/dbraw/zinc/17/05/23/525170523.db2.gz NCLFGYUDONSTSL-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000178278191 525426190 /nfs/dbraw/zinc/42/61/90/525426190.db2.gz IIKQIYYVYVVWRC-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000157746605 525574226 /nfs/dbraw/zinc/57/42/26/525574226.db2.gz ZPUQMEWBMFHFMB-ZLXGRDSLSA-N 1 0 315.457 3.879 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2O[C@H]1C)c1cc(F)ccc1O ZINC000368484741 525591494 /nfs/dbraw/zinc/59/14/94/525591494.db2.gz ZEQKYLJKMPDMHV-PUTJDCORSA-N 1 0 305.324 3.843 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163823137 525660481 /nfs/dbraw/zinc/66/04/81/525660481.db2.gz JGNUWIKAZLLLIN-HZPDHXFCSA-N 1 0 312.461 3.822 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1O ZINC000367718815 526031682 /nfs/dbraw/zinc/03/16/82/526031682.db2.gz GDQRSRGIYRWIJH-WMLDXEAASA-N 1 0 312.413 3.612 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1O ZINC000367718805 526038265 /nfs/dbraw/zinc/03/82/65/526038265.db2.gz GDQRSRGIYRWIJH-PBHICJAKSA-N 1 0 312.413 3.612 20 10 DHCDRO Cc1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c2n1CCCC2 ZINC000364910316 526892675 /nfs/dbraw/zinc/89/26/75/526892675.db2.gz YZQDNRHZSUEBOU-LLVKDONJSA-N 1 0 319.836 3.738 20 10 DHCDRO CC(C)COC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297833968 535181333 /nfs/dbraw/zinc/18/13/33/535181333.db2.gz RXZDQMDTRKJKPR-HZPDHXFCSA-N 1 0 315.413 3.976 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2c(F)cccc2SC)c1O ZINC000285360734 535459581 /nfs/dbraw/zinc/45/95/81/535459581.db2.gz AJSBODUYJJXLKL-UHFFFAOYSA-N 1 0 321.417 3.942 20 10 DHCDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000274737722 535906539 /nfs/dbraw/zinc/90/65/39/535906539.db2.gz DOAWMPWWTZXFHN-INIZCTEOSA-N 1 0 300.358 3.584 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccc21 ZINC000297725592 536397075 /nfs/dbraw/zinc/39/70/75/536397075.db2.gz NJGFNZHLJDWVSE-KRWDZBQOSA-N 1 0 308.425 3.552 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)[C@H](F)C3)c2c1 ZINC000777965700 1032058166 /nfs/dbraw/zinc/05/81/66/1032058166.db2.gz FGCASYDLSNBMMI-YVEFUNNKSA-N 1 0 303.377 3.734 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(F)c2F)c1O ZINC000894360072 1013104676 /nfs/dbraw/zinc/10/46/76/1013104676.db2.gz UZICHWBKJYCLCV-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2O)CCC3)c1 ZINC000748099227 1013305287 /nfs/dbraw/zinc/30/52/87/1013305287.db2.gz ITRDTJBKUOMRSD-UHFFFAOYSA-N 1 0 311.425 3.700 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC000894501891 1013397538 /nfs/dbraw/zinc/39/75/38/1013397538.db2.gz JBNOYSKKQNXGAC-GFCCVEGCSA-N 1 0 317.433 3.646 20 10 DHCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000925092282 1013614003 /nfs/dbraw/zinc/61/40/03/1013614003.db2.gz BBJKQCLJLCZCMO-KGLIPLIRSA-N 1 0 314.520 3.546 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1O ZINC000894907936 1013727607 /nfs/dbraw/zinc/72/76/07/1013727607.db2.gz AMEDRIOXOPCHDC-CQSZACIVSA-N 1 0 318.244 3.773 20 10 DHCDRO CC1(C)CC2(CC([NH2+]CCCSc3nccs3)C2)CO1 ZINC000925101837 1013759645 /nfs/dbraw/zinc/75/96/45/1013759645.db2.gz KODFFOHWRDTTRE-UHFFFAOYSA-N 1 0 312.504 3.563 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000072670281 1013843042 /nfs/dbraw/zinc/84/30/42/1013843042.db2.gz OYSRDMAMPAAPRZ-SFHVURJKSA-N 1 0 315.461 3.518 20 10 DHCDRO CCCCOC(=O)[C@@H](C)[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001167353751 1014032375 /nfs/dbraw/zinc/03/23/75/1014032375.db2.gz NWTDTESJRWCAOA-OAHLLOKOSA-N 1 0 319.445 3.869 20 10 DHCDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1O)CCCC2 ZINC000160393295 1014043181 /nfs/dbraw/zinc/04/31/81/1014043181.db2.gz NDDZOWNUGLPTON-UHFFFAOYSA-N 1 0 303.446 3.520 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCOC)cc1 ZINC000060806554 1014350369 /nfs/dbraw/zinc/35/03/69/1014350369.db2.gz KFWMHUGYMOKTEC-UHFFFAOYSA-N 1 0 312.457 3.839 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000895134661 1014528524 /nfs/dbraw/zinc/52/85/24/1014528524.db2.gz JVIDAWNYIOLXLS-HUUCEWRRSA-N 1 0 301.789 3.504 20 10 DHCDRO C[C@H]1C(=O)CCN(Cc2c(O)cccc2Cl)C12CCCC2 ZINC001140342371 1014639803 /nfs/dbraw/zinc/63/98/03/1014639803.db2.gz GSZHOKVGTLRAKY-LBPRGKRZSA-N 1 0 307.821 3.769 20 10 DHCDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1O ZINC000783504620 1014693233 /nfs/dbraw/zinc/69/32/33/1014693233.db2.gz HRXSXRXBTOZDQN-KGLIPLIRSA-N 1 0 313.397 3.793 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCOCC1CCCC1 ZINC000313256319 1014828656 /nfs/dbraw/zinc/82/86/56/1014828656.db2.gz TYFAMMIXPLRQRG-UHFFFAOYSA-N 1 0 302.462 3.583 20 10 DHCDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772956695 1032109174 /nfs/dbraw/zinc/10/91/74/1032109174.db2.gz WUQRCVMPCREYIL-HOCLYGCPSA-N 1 0 308.441 3.892 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000895462954 1015168379 /nfs/dbraw/zinc/16/83/79/1015168379.db2.gz ZNDQOGROXANOAS-CHWSQXEVSA-N 1 0 315.335 3.696 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895580525 1015215566 /nfs/dbraw/zinc/21/55/66/1015215566.db2.gz BLOKHZOLUPQEBV-QGZUEGPWSA-N 1 0 313.470 3.712 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895690310 1015257909 /nfs/dbraw/zinc/25/79/09/1015257909.db2.gz FOBCTDGNMPPPDS-WMZOPIPTSA-N 1 0 315.388 3.824 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000895690723 1015258535 /nfs/dbraw/zinc/25/85/35/1015258535.db2.gz KYXFUGWSSPNPQF-WMZOPIPTSA-N 1 0 301.361 3.516 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1O ZINC000895787990 1015303270 /nfs/dbraw/zinc/30/32/70/1015303270.db2.gz ALDARCASJHGHIY-WFASDCNBSA-N 1 0 315.335 3.565 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)c(O)c1OC ZINC000891639907 1015476280 /nfs/dbraw/zinc/47/62/80/1015476280.db2.gz JUWDOXGNVDCOBC-NSHDSACASA-N 1 0 307.415 3.664 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(O)c1 ZINC000896225271 1015510288 /nfs/dbraw/zinc/51/02/88/1015510288.db2.gz WYKFYYIPANBCPZ-ZDUSSCGKSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC2CCC(SC)CC2)c1O ZINC000896256251 1015523063 /nfs/dbraw/zinc/52/30/63/1015523063.db2.gz VDDAKFLGWCSAKN-UHFFFAOYSA-N 1 0 309.475 3.721 20 10 DHCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccccc2O)[nH]1 ZINC000277097123 1015871543 /nfs/dbraw/zinc/87/15/43/1015871543.db2.gz GULJBDKSKXWBRT-SCRDCRAPSA-N 1 0 302.422 3.826 20 10 DHCDRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000277174773 1016007556 /nfs/dbraw/zinc/00/75/56/1016007556.db2.gz SIDNIWKWVXYXTI-NSHDSACASA-N 1 0 320.177 3.993 20 10 DHCDRO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000796838518 1016022574 /nfs/dbraw/zinc/02/25/74/1016022574.db2.gz IHPFYFYWJASWKE-XOKHGSTOSA-N 1 0 309.425 3.903 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000184835074 1016388816 /nfs/dbraw/zinc/38/88/16/1016388816.db2.gz IWAHDZNWYUXVQV-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000184940582 1016453895 /nfs/dbraw/zinc/45/38/95/1016453895.db2.gz SRANVRQQBLVGQR-CYBMUJFWSA-N 1 0 323.440 3.789 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(F)ccc1O ZINC000185032923 1016504319 /nfs/dbraw/zinc/50/43/19/1016504319.db2.gz PNBRROJGWZDTKW-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)ccc1OC ZINC000281647536 1016645124 /nfs/dbraw/zinc/64/51/24/1016645124.db2.gz MRKSYSFEBVPWLX-CQSZACIVSA-N 1 0 313.388 3.757 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC2(CCOC)CCCCC2)c1 ZINC000185227294 1016770591 /nfs/dbraw/zinc/77/05/91/1016770591.db2.gz GQPRBUFQIPPUPR-UHFFFAOYSA-N 1 0 321.461 3.868 20 10 DHCDRO C[C@H]1CCCN(c2ccc(CNCc3cocn3)cc2Cl)C1 ZINC000281926364 1016805811 /nfs/dbraw/zinc/80/58/11/1016805811.db2.gz HDKQZKZCWCLGCV-ZDUSSCGKSA-N 1 0 319.836 3.854 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342051 1016858828 /nfs/dbraw/zinc/85/88/28/1016858828.db2.gz GONVELZPDJFKJN-CQSZACIVSA-N 1 0 322.449 3.608 20 10 DHCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1O ZINC000848551155 1016875834 /nfs/dbraw/zinc/87/58/34/1016875834.db2.gz FGMWPUQGBLTPGC-RKDXNWHRSA-N 1 0 320.202 3.562 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000113326503 1016907160 /nfs/dbraw/zinc/90/71/60/1016907160.db2.gz ACCBXJJEAYBTOD-UHFFFAOYSA-N 1 0 316.832 3.804 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000185489849 1016944561 /nfs/dbraw/zinc/94/45/61/1016944561.db2.gz RHKPZYBAYWDORB-LBPRGKRZSA-N 1 0 308.472 3.990 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CCC(CSC)CC2)c1O ZINC000896940837 1016945774 /nfs/dbraw/zinc/94/57/74/1016945774.db2.gz KJKDBYKNKHRZTE-UHFFFAOYSA-N 1 0 315.866 3.629 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000127103301 1017003393 /nfs/dbraw/zinc/00/33/93/1017003393.db2.gz FXEFFKHXKJCTDY-UHFFFAOYSA-N 1 0 309.837 3.969 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cc(F)ccc1O ZINC000185576516 1017018914 /nfs/dbraw/zinc/01/89/14/1017018914.db2.gz KRPUMXYMGIKVOP-NWDGAFQWSA-N 1 0 307.340 3.789 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000185575438 1017020491 /nfs/dbraw/zinc/02/04/91/1017020491.db2.gz CIFXDVXRSSYXOB-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccn1 ZINC000189589370 1017030736 /nfs/dbraw/zinc/03/07/36/1017030736.db2.gz LAUJOHPSWMRHDN-UHFFFAOYSA-N 1 0 301.459 3.549 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(C)C)nc2)c(Cl)c1 ZINC000840876706 1017253264 /nfs/dbraw/zinc/25/32/64/1017253264.db2.gz SWRMGYWWSCOUAD-UHFFFAOYSA-N 1 0 320.820 3.826 20 10 DHCDRO COCc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000475197983 1017075582 /nfs/dbraw/zinc/07/55/82/1017075582.db2.gz VHMQUYOTOADHHV-UHFFFAOYSA-N 1 0 308.425 3.923 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000185646935 1017079001 /nfs/dbraw/zinc/07/90/01/1017079001.db2.gz ACTFCIPENKCOBM-LBPRGKRZSA-N 1 0 307.340 3.708 20 10 DHCDRO C[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000772982570 1032319883 /nfs/dbraw/zinc/31/98/83/1032319883.db2.gz XBWUUIQWBWJJAO-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000185646918 1017080245 /nfs/dbraw/zinc/08/02/45/1017080245.db2.gz ACTFCIPENKCOBM-GFCCVEGCSA-N 1 0 307.340 3.708 20 10 DHCDRO CCc1ncc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000929185679 1032474620 /nfs/dbraw/zinc/47/46/20/1032474620.db2.gz XRJCAMDLGLBDKQ-UHFFFAOYSA-N 1 0 313.445 3.859 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000185672263 1017093287 /nfs/dbraw/zinc/09/32/87/1017093287.db2.gz CJEOJMHLHDMPBJ-IJEWVQPXSA-N 1 0 310.441 3.821 20 10 DHCDRO Cc1cc([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)[nH]n1 ZINC000282815863 1032496483 /nfs/dbraw/zinc/49/64/83/1032496483.db2.gz AGTABWASJAXBCM-INIZCTEOSA-N 1 0 321.424 3.957 20 10 DHCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773047401 1032539991 /nfs/dbraw/zinc/53/99/91/1032539991.db2.gz PHESUPGLLNXOBL-KVSKMBFKSA-N 1 0 304.478 3.854 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000773048204 1032540438 /nfs/dbraw/zinc/54/04/38/1032540438.db2.gz WGYSCHUZWLRRPO-HNAYVOBHSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773104563 1032558903 /nfs/dbraw/zinc/55/89/03/1032558903.db2.gz UKIPIRHQYFTJIC-DJIMGWMZSA-N 1 0 320.452 3.770 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000773101316 1032560768 /nfs/dbraw/zinc/56/07/68/1032560768.db2.gz BIBVUVFOVIIMQA-QFBILLFUSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773105528 1032561055 /nfs/dbraw/zinc/56/10/55/1032561055.db2.gz HRSODDIBZQTWJH-LEWJYISDSA-N 1 0 323.484 3.980 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773113235 1032564301 /nfs/dbraw/zinc/56/43/01/1032564301.db2.gz COAKIXXOMNFOAQ-NDXORKPFSA-N 1 0 323.484 3.849 20 10 DHCDRO CCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160185792 1011954173 /nfs/dbraw/zinc/95/41/73/1011954173.db2.gz MTTSVJHTFHKSMQ-QGZVFWFLSA-N 1 0 315.413 3.729 20 10 DHCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000160193019 1011986740 /nfs/dbraw/zinc/98/67/40/1011986740.db2.gz OMRMVLLRHFXBOJ-SFHVURJKSA-N 1 0 315.413 3.783 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000035258355 1012216589 /nfs/dbraw/zinc/21/65/89/1012216589.db2.gz AEWRCALMJWRDHE-UHFFFAOYSA-N 1 0 300.368 3.963 20 10 DHCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(O)c1O ZINC001172851113 1033420946 /nfs/dbraw/zinc/42/09/46/1033420946.db2.gz FJEDHGYPSKJARC-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO CCC(CC)c1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)on1 ZINC000894297955 1012269638 /nfs/dbraw/zinc/26/96/38/1012269638.db2.gz HCXLHVGYXJLIEK-UHFFFAOYSA-N 1 0 318.417 3.891 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000035628904 1012454703 /nfs/dbraw/zinc/45/47/03/1012454703.db2.gz MBZQRRLAHMYZAD-DZGCQCFKSA-N 1 0 304.459 3.716 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[C@@H]3CCOC3)C1)CCC2 ZINC000773260613 1032663787 /nfs/dbraw/zinc/66/37/87/1032663787.db2.gz YLSXOGYRNSIUGQ-HOTGVXAUSA-N 1 0 315.457 3.520 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1 ZINC000305763225 1013042273 /nfs/dbraw/zinc/04/22/73/1013042273.db2.gz ZADUJHGKDMKOKT-MPGHIAIKSA-N 1 0 316.445 3.899 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc2c(cc1O)CCCC2 ZINC000185773138 1017161654 /nfs/dbraw/zinc/16/16/54/1017161654.db2.gz ZQYUZGLAOSGQLF-QRXJHHFZSA-N 1 0 315.457 3.879 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000115629281 1032684174 /nfs/dbraw/zinc/68/41/74/1032684174.db2.gz UPXJIDXHDYSPBZ-UHFFFAOYSA-N 1 0 315.436 3.556 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2cccnc21 ZINC000115629421 1032684719 /nfs/dbraw/zinc/68/47/19/1032684719.db2.gz UCJSAWAJRKAQKT-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000897299341 1017343936 /nfs/dbraw/zinc/34/39/36/1017343936.db2.gz ZKVWIFYAOZEYSO-CQSZACIVSA-N 1 0 302.443 3.530 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716287111 1032692980 /nfs/dbraw/zinc/69/29/80/1032692980.db2.gz CTVDQSJOAMZWDR-PKOBYXMFSA-N 1 0 310.441 3.707 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915519 1017466165 /nfs/dbraw/zinc/46/61/65/1017466165.db2.gz CLLABNAXTRKAIQ-KRWDZBQOSA-N 1 0 309.837 3.747 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915520 1017467758 /nfs/dbraw/zinc/46/77/58/1017467758.db2.gz CLLABNAXTRKAIQ-QGZVFWFLSA-N 1 0 309.837 3.747 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)c(Cl)c1 ZINC000840937742 1017516825 /nfs/dbraw/zinc/51/68/25/1017516825.db2.gz WYLALELYIWZPGS-ZDUSSCGKSA-N 1 0 311.853 3.632 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)c(Cl)c1 ZINC000840937740 1017517119 /nfs/dbraw/zinc/51/71/19/1017517119.db2.gz WYLALELYIWZPGS-CYBMUJFWSA-N 1 0 311.853 3.632 20 10 DHCDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185985782 1017600475 /nfs/dbraw/zinc/60/04/75/1017600475.db2.gz XBZIXAXEILMWPN-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000186000767 1017613835 /nfs/dbraw/zinc/61/38/35/1017613835.db2.gz RICKGLBMZHQVQQ-GFCCVEGCSA-N 1 0 307.340 3.708 20 10 DHCDRO Cc1csc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975158 1017725327 /nfs/dbraw/zinc/72/53/27/1017725327.db2.gz DFMLUUUBZUNDGM-CYBMUJFWSA-N 1 0 303.475 3.547 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2O)cc1F ZINC000120510598 1017756443 /nfs/dbraw/zinc/75/64/43/1017756443.db2.gz GRJURZNOZKVGLM-UHFFFAOYSA-N 1 0 303.377 3.789 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915379 1032728306 /nfs/dbraw/zinc/72/83/06/1032728306.db2.gz KQGOQSFDCSWOTQ-WHOFXGATSA-N 1 0 317.351 3.933 20 10 DHCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000021815334 1017957031 /nfs/dbraw/zinc/95/70/31/1017957031.db2.gz RCIIJRBRGNPLDD-UHFFFAOYSA-N 1 0 317.260 3.665 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161495032 1017966314 /nfs/dbraw/zinc/96/63/14/1017966314.db2.gz KNYOFRFLLGYOBG-ICSRJNTNSA-N 1 0 312.457 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000701920903 1018123425 /nfs/dbraw/zinc/12/34/25/1018123425.db2.gz TYMCBAQYNSUCPO-HIFRSBDPSA-N 1 0 322.449 3.688 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+]CCCSc1nccs1 ZINC000766072905 1018149306 /nfs/dbraw/zinc/14/93/06/1018149306.db2.gz OBPAERCKALZZNQ-CQSZACIVSA-N 1 0 320.483 3.911 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)CCC2 ZINC000764120364 1018164997 /nfs/dbraw/zinc/16/49/97/1018164997.db2.gz ITMMXOPCYZDDKN-UHFFFAOYSA-N 1 0 323.436 3.676 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764544465 1018309888 /nfs/dbraw/zinc/30/98/88/1018309888.db2.gz ZQGAEADFNNQJJZ-MRXNPFEDSA-N 1 0 303.494 3.668 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nc(C)cs2)cc1 ZINC000764878563 1018413971 /nfs/dbraw/zinc/41/39/71/1018413971.db2.gz CXLDPOOOLSBHSU-AWEZNQCLSA-N 1 0 303.475 3.801 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764880069 1018415749 /nfs/dbraw/zinc/41/57/49/1018415749.db2.gz AAHWAFZPPDOIAI-LPHOPBHVSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1C ZINC000764979127 1018440795 /nfs/dbraw/zinc/44/07/95/1018440795.db2.gz KVWOPARIWDNFFT-GOSISDBHSA-N 1 0 319.832 3.654 20 10 DHCDRO COc1cccc(CNc2c(C)c[nH+]c3c(C)cccc23)c1O ZINC000765030593 1018454912 /nfs/dbraw/zinc/45/49/12/1018454912.db2.gz GTJZFVOHYCBHEU-UHFFFAOYSA-N 1 0 308.381 3.600 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)C ZINC000765128614 1018485340 /nfs/dbraw/zinc/48/53/40/1018485340.db2.gz WRDWIUPUJYCMJQ-QLFBSQMISA-N 1 0 322.468 3.964 20 10 DHCDRO C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000843343295 1018511113 /nfs/dbraw/zinc/51/11/13/1018511113.db2.gz ZEHYBGSTTZWING-JTQLQIEISA-N 1 0 305.249 3.869 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000858108297 1032769569 /nfs/dbraw/zinc/76/95/69/1032769569.db2.gz BMWSCBNBSXJRCJ-SLUIBLPYSA-N 1 0 314.473 3.608 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765254570 1018736513 /nfs/dbraw/zinc/73/65/13/1018736513.db2.gz NNQCJOUBSUOJEN-APWZRJJASA-N 1 0 303.494 3.668 20 10 DHCDRO Clc1ccsc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000278492714 1018746920 /nfs/dbraw/zinc/74/69/20/1018746920.db2.gz MGVJLVJOEASYGA-UHFFFAOYSA-N 1 0 322.861 3.528 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921746771 1018752417 /nfs/dbraw/zinc/75/24/17/1018752417.db2.gz HZXCIEQWPATZDK-UHFFFAOYSA-N 1 0 318.852 3.605 20 10 DHCDRO c1ccc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CCOCC2)cc1 ZINC000921777656 1018813226 /nfs/dbraw/zinc/81/32/26/1018813226.db2.gz JQCFXNZYVOTINO-UHFFFAOYSA-N 1 0 323.436 3.807 20 10 DHCDRO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)(C)C)cn1 ZINC000921816512 1018900359 /nfs/dbraw/zinc/90/03/59/1018900359.db2.gz BEMKIPPMIJXARI-SFHVURJKSA-N 1 0 313.445 3.622 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921528936 1018928629 /nfs/dbraw/zinc/92/86/29/1018928629.db2.gz WDUADYLGHOUPSO-CEXWTWQISA-N 1 0 314.473 3.582 20 10 DHCDRO CC1(C)[C@H](C[NH2+]Cc2c(O)cccc2Br)C1(F)F ZINC000858193385 1032797392 /nfs/dbraw/zinc/79/73/92/1032797392.db2.gz XAZPIFCPWMFOLV-NSHDSACASA-N 1 0 320.177 3.536 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001117040988 1018975334 /nfs/dbraw/zinc/97/53/34/1018975334.db2.gz ZIZZCWYNZWBVRU-UONOGXRCSA-N 1 0 307.434 3.780 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000765610660 1019001082 /nfs/dbraw/zinc/00/10/82/1019001082.db2.gz WUQBCLNWZUWWGX-OAHLLOKOSA-N 1 0 310.441 3.928 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(C)nn(CC)c2C)cc1 ZINC000765661266 1019032917 /nfs/dbraw/zinc/03/29/17/1019032917.db2.gz XXURUMGUHBTTKD-CQSZACIVSA-N 1 0 314.477 3.827 20 10 DHCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052916852 1019053782 /nfs/dbraw/zinc/05/37/82/1019053782.db2.gz LAQCXCTUYCOZNH-UHFFFAOYSA-N 1 0 313.445 3.914 20 10 DHCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765955482 1019116309 /nfs/dbraw/zinc/11/63/09/1019116309.db2.gz WFKQBQPJUVWXHY-KXBFYZLASA-N 1 0 322.468 3.874 20 10 DHCDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239318 1032813315 /nfs/dbraw/zinc/81/33/15/1032813315.db2.gz LRXDXHOOTKVRJP-NVXWUHKLSA-N 1 0 319.445 3.692 20 10 DHCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC001143104358 1019377175 /nfs/dbraw/zinc/37/71/75/1019377175.db2.gz SDLBOPLRYNEHCX-IBGZPJMESA-N 1 0 303.446 3.692 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2SC)c1O ZINC000282331788 1019526735 /nfs/dbraw/zinc/52/67/35/1019526735.db2.gz LREIKTJTLKRLQF-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000858320365 1032845196 /nfs/dbraw/zinc/84/51/96/1032845196.db2.gz BAPUSEZKTJIMKQ-HNNXBMFYSA-N 1 0 303.789 3.831 20 10 DHCDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727464437 1019715970 /nfs/dbraw/zinc/71/59/70/1019715970.db2.gz RTVIDELCPDQHPL-INIZCTEOSA-N 1 0 322.468 3.967 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000727466986 1019719632 /nfs/dbraw/zinc/71/96/32/1019719632.db2.gz KTLJAGBXPCGGJW-ZIAGYGMSSA-N 1 0 308.441 3.575 20 10 DHCDRO CCC[N@H+](CC(=O)Nc1cccc(C)c1)Cc1ccccc1O ZINC000727831058 1019817608 /nfs/dbraw/zinc/81/76/08/1019817608.db2.gz FVRBBYJEMPWZDH-UHFFFAOYSA-N 1 0 312.413 3.551 20 10 DHCDRO Cc1cc(CN2CCC[N@@H+](C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000727823086 1019821495 /nfs/dbraw/zinc/82/14/95/1019821495.db2.gz AANMZZAHEWECFU-UHFFFAOYSA-N 1 0 318.505 3.914 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3cnccc3c2)c1 ZINC001168711801 1019856042 /nfs/dbraw/zinc/85/60/42/1019856042.db2.gz GLDUNAHOPPYQGP-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000858363923 1032864153 /nfs/dbraw/zinc/86/41/53/1032864153.db2.gz AUMRHRCYUFMOJJ-OAHLLOKOSA-N 1 0 301.459 3.685 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(O)c1 ZINC001171734865 1032875976 /nfs/dbraw/zinc/87/59/76/1032875976.db2.gz QSMWOJCEASBZOE-HKUYNNGSSA-N 1 0 324.468 3.762 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922537515 1020118378 /nfs/dbraw/zinc/11/83/78/1020118378.db2.gz HPIZBHRZXNHLHZ-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO CCC(CC)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765992187 1020134478 /nfs/dbraw/zinc/13/44/78/1020134478.db2.gz HAPHUTCSINCMPS-MRXNPFEDSA-N 1 0 310.869 3.788 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)/C=C/Cl)cc1Cn1cccn1 ZINC000922645607 1020187607 /nfs/dbraw/zinc/18/76/07/1020187607.db2.gz SNWYNIRZWLJVTE-BQYQJAHWSA-N 1 0 319.836 3.561 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000732184676 1020208695 /nfs/dbraw/zinc/20/86/95/1020208695.db2.gz CVYLSJNXLGARSK-HOCLYGCPSA-N 1 0 305.462 3.997 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676901 1020208873 /nfs/dbraw/zinc/20/88/73/1020208873.db2.gz DBQLCWNQDWQPSR-YPMHNXCESA-N 1 0 323.742 3.635 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCS1 ZINC000922842501 1020298953 /nfs/dbraw/zinc/29/89/53/1020298953.db2.gz MLKNNBXHAQTEPW-SKDRFNHKSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@H]([NH2+]CCOCC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000765812738 1020311007 /nfs/dbraw/zinc/31/10/07/1020311007.db2.gz XTROWHKZEULUHR-AWEZNQCLSA-N 1 0 303.446 3.738 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCCOc1ccccc1F ZINC000733324667 1020372172 /nfs/dbraw/zinc/37/21/72/1020372172.db2.gz RPVBEVCMFSPFRK-UHFFFAOYSA-N 1 0 309.768 3.743 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(F)c1 ZINC000733325428 1020372838 /nfs/dbraw/zinc/37/28/38/1020372838.db2.gz HSNGMULNVYAYJS-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2F)c1 ZINC000733328699 1020373347 /nfs/dbraw/zinc/37/33/47/1020373347.db2.gz YOIVQIXOKPFTSY-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO Cc1cccc(OC[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733325489 1020374672 /nfs/dbraw/zinc/37/46/72/1020374672.db2.gz OSQVPLKEJZRMHR-HNNXBMFYSA-N 1 0 316.420 3.757 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000733331624 1020377947 /nfs/dbraw/zinc/37/79/47/1020377947.db2.gz FKFZTOWCPPJGNU-AWEZNQCLSA-N 1 0 319.788 3.668 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CC3(C)C)CC2)cc1 ZINC000785447134 1020404814 /nfs/dbraw/zinc/40/48/14/1020404814.db2.gz XPSVNKDFUPGFMI-KBXCAEBGSA-N 1 0 302.462 3.688 20 10 DHCDRO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000733790217 1020445801 /nfs/dbraw/zinc/44/58/01/1020445801.db2.gz HMQBKGKWVSHHAX-MRXNPFEDSA-N 1 0 321.461 3.642 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccccc3)CC1)OCO2 ZINC000073887550 1020453068 /nfs/dbraw/zinc/45/30/68/1020453068.db2.gz RRBKAXPSVUKSAB-UHFFFAOYSA-N 1 0 311.381 3.501 20 10 DHCDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064528 1020469003 /nfs/dbraw/zinc/46/90/03/1020469003.db2.gz ZCMDWHKKDCVZCU-OAHLLOKOSA-N 1 0 316.470 3.744 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000766030749 1020494355 /nfs/dbraw/zinc/49/43/55/1020494355.db2.gz XAKOYXTZGJRAQP-SFHVURJKSA-N 1 0 314.404 3.814 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766043576 1020564400 /nfs/dbraw/zinc/56/44/00/1020564400.db2.gz MURBXFJYSAGMAF-SCLBCKFNSA-N 1 0 310.445 3.579 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)c1 ZINC000858488192 1032918156 /nfs/dbraw/zinc/91/81/56/1032918156.db2.gz POOSQAFUGBTIKP-AWEZNQCLSA-N 1 0 314.429 3.733 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000858490189 1032918849 /nfs/dbraw/zinc/91/88/49/1032918849.db2.gz CTVWVHZYGQTULU-CJNGLKHVSA-N 1 0 310.869 3.818 20 10 DHCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000858495984 1032921717 /nfs/dbraw/zinc/92/17/17/1032921717.db2.gz MRCKXPQBHWFDHE-AWEZNQCLSA-N 1 0 312.413 3.534 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000735297682 1020716085 /nfs/dbraw/zinc/71/60/85/1020716085.db2.gz KUOBXFSJTSOYTL-UHFFFAOYSA-N 1 0 305.462 3.999 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000725847293 1020720108 /nfs/dbraw/zinc/72/01/08/1020720108.db2.gz YVSXYNLASYRIPQ-WBMJQRKESA-N 1 0 301.386 3.797 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@H](C)[C@@H]3C)c2c1 ZINC000735666156 1020760421 /nfs/dbraw/zinc/76/04/21/1020760421.db2.gz CKTTUUVPZARGPG-QWHCGFSZSA-N 1 0 317.454 3.880 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000858543441 1032937349 /nfs/dbraw/zinc/93/73/49/1032937349.db2.gz SLXVCCJXAHBROL-HNNXBMFYSA-N 1 0 306.413 3.735 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCCn3nccc32)c(C)n1-c1ccccc1 ZINC000858543485 1032940905 /nfs/dbraw/zinc/94/09/05/1032940905.db2.gz SXODQILFDWXXIF-LJQANCHMSA-N 1 0 320.440 3.915 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCc2nccs2)cc1F ZINC000740007029 1020923145 /nfs/dbraw/zinc/92/31/45/1020923145.db2.gz RGVQZCWZGZPXMU-UHFFFAOYSA-N 1 0 321.465 3.851 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1F ZINC000740001238 1020923404 /nfs/dbraw/zinc/92/34/04/1020923404.db2.gz IJBXOHIGKRVGHK-INIZCTEOSA-N 1 0 321.484 3.636 20 10 DHCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740007588 1020923444 /nfs/dbraw/zinc/92/34/44/1020923444.db2.gz UZJNPSPXZDAHMD-GOSISDBHSA-N 1 0 310.457 3.559 20 10 DHCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740005822 1020923544 /nfs/dbraw/zinc/92/35/44/1020923544.db2.gz GYSHDWGDEFNHML-RDTXWAMCSA-N 1 0 310.457 3.559 20 10 DHCDRO Cc1cc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1N1CCCCC1 ZINC001171942401 1032946434 /nfs/dbraw/zinc/94/64/34/1032946434.db2.gz IKHOENBYLOZJTQ-PXNSSMCTSA-N 1 0 315.505 3.510 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000264532583 1032951275 /nfs/dbraw/zinc/95/12/75/1032951275.db2.gz JWFNCTRXCDYKMA-IIBYNOLFSA-N 1 0 322.452 3.861 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCOC1 ZINC000742380882 1021108623 /nfs/dbraw/zinc/10/86/23/1021108623.db2.gz SNAFXTHZCHEEFE-DOTOQJQBSA-N 1 0 308.441 3.577 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CCc2ccc(C)o2)c1 ZINC000742381506 1021109471 /nfs/dbraw/zinc/10/94/71/1021109471.db2.gz YYMSGVBTSKYYPX-CYBMUJFWSA-N 1 0 303.402 3.803 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)CCc2ccc(C)o2)c1O ZINC000742381266 1021110060 /nfs/dbraw/zinc/11/00/60/1021110060.db2.gz XRTLJAAYRUDCJC-CYBMUJFWSA-N 1 0 303.402 3.803 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCCC2 ZINC000742390857 1021111350 /nfs/dbraw/zinc/11/13/50/1021111350.db2.gz RKOPABCYHZGLOI-ZWKOTPCHSA-N 1 0 303.446 3.831 20 10 DHCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000742377713 1021115734 /nfs/dbraw/zinc/11/57/34/1021115734.db2.gz QKFUNLTUFFCDSL-GOSISDBHSA-N 1 0 318.848 3.883 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742379348 1021116683 /nfs/dbraw/zinc/11/66/83/1021116683.db2.gz WFSJAKISJSSOMW-CEXWTWQISA-N 1 0 314.473 3.582 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000176983597 1021190907 /nfs/dbraw/zinc/19/09/07/1021190907.db2.gz MYCAJWVNMCDFSX-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000917428766 1021266476 /nfs/dbraw/zinc/26/64/76/1021266476.db2.gz XKNSMJPPPRAJBV-OLZOCXBDSA-N 1 0 315.413 3.626 20 10 DHCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000743500373 1021305176 /nfs/dbraw/zinc/30/51/76/1021305176.db2.gz ZCRAOBZXPKZSKJ-BEFAXECRSA-N 1 0 313.441 3.946 20 10 DHCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000743500376 1021307121 /nfs/dbraw/zinc/30/71/21/1021307121.db2.gz ZCRAOBZXPKZSKJ-KXBFYZLASA-N 1 0 313.441 3.946 20 10 DHCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)n1 ZINC000178232706 1021322549 /nfs/dbraw/zinc/32/25/49/1021322549.db2.gz SPPPLANKKUHXRL-LJQANCHMSA-N 1 0 308.425 3.921 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000918021582 1021421746 /nfs/dbraw/zinc/42/17/46/1021421746.db2.gz BGRMMPPWJMOPTG-HNNXBMFYSA-N 1 0 314.404 3.718 20 10 DHCDRO COc1cc(C[NH2+]C2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000850121404 1021422342 /nfs/dbraw/zinc/42/23/42/1021422342.db2.gz RGLGFPLNDCQJCD-UHFFFAOYSA-N 1 0 309.475 3.684 20 10 DHCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850167544 1021431061 /nfs/dbraw/zinc/43/10/61/1021431061.db2.gz DXGRJTMHAOFFET-HIFRSBDPSA-N 1 0 323.477 3.585 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCCSC2)c(O)c(C(C)(C)C)c1 ZINC000850172813 1021433190 /nfs/dbraw/zinc/43/31/90/1021433190.db2.gz KHMSFXXZIPLKRG-ZDUSSCGKSA-N 1 0 309.475 3.684 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850191055 1021434697 /nfs/dbraw/zinc/43/46/97/1021434697.db2.gz QJQMMHGNVUDSEX-ZDUSSCGKSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850191054 1021435623 /nfs/dbraw/zinc/43/56/23/1021435623.db2.gz QJQMMHGNVUDSEX-CYBMUJFWSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]CC[C@@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850241399 1021452373 /nfs/dbraw/zinc/45/23/73/1021452373.db2.gz DYZGBFNVAWOZHN-HNNXBMFYSA-N 1 0 321.461 3.747 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000850327514 1021475501 /nfs/dbraw/zinc/47/55/01/1021475501.db2.gz GRFHEHGSAHNXMQ-LSDHHAIUSA-N 1 0 321.461 3.746 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2noc3ccccc23)cc1 ZINC000850341647 1021479493 /nfs/dbraw/zinc/47/94/93/1021479493.db2.gz ASKDCYZEPCKLME-AATRIKPKSA-N 1 0 321.424 3.739 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)C2)cc1 ZINC000850346384 1021481033 /nfs/dbraw/zinc/48/10/33/1021481033.db2.gz TVOMQEOYPFZTDQ-MRXNPFEDSA-N 1 0 321.424 3.545 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000850345976 1021481459 /nfs/dbraw/zinc/48/14/59/1021481459.db2.gz AYEUPMNYLWSKGE-KRWDZBQOSA-N 1 0 321.424 3.545 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000744269567 1021489353 /nfs/dbraw/zinc/48/93/53/1021489353.db2.gz HDRUNQMQWUHGJK-UHFFFAOYSA-N 1 0 305.425 3.633 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850374976 1021496459 /nfs/dbraw/zinc/49/64/59/1021496459.db2.gz OWQGLNBBXMELNF-SBUVDCAVSA-N 1 0 308.425 3.534 20 10 DHCDRO C[C@]1(CC[NH2+]Cc2cc(Br)ccc2O)CC1(F)F ZINC000850380287 1021498843 /nfs/dbraw/zinc/49/88/43/1021498843.db2.gz DLBYLQRVNABQQO-LBPRGKRZSA-N 1 0 320.177 3.680 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140924048 1021501203 /nfs/dbraw/zinc/50/12/03/1021501203.db2.gz BRTKMDSQRXKMRX-NSHDSACASA-N 1 0 306.759 3.790 20 10 DHCDRO CCC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405701 1021513730 /nfs/dbraw/zinc/51/37/30/1021513730.db2.gz AAXFSWFFVUDYAC-UHFFFAOYSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850411631 1021517852 /nfs/dbraw/zinc/51/78/52/1021517852.db2.gz GWJNXJWWWNXIQN-UXTXJKSZSA-N 1 0 324.468 3.520 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)CCCO2 ZINC000850422044 1021523483 /nfs/dbraw/zinc/52/34/83/1021523483.db2.gz DGEQJBZZKDPLIN-OAHLLOKOSA-N 1 0 310.441 3.928 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C(C)(C)C)cc1F ZINC000744449290 1021549336 /nfs/dbraw/zinc/54/93/36/1021549336.db2.gz VMYAXFZOCSLBPD-KRWDZBQOSA-N 1 0 310.457 3.823 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489994 1021561434 /nfs/dbraw/zinc/56/14/34/1021561434.db2.gz ZLGRDPYLSLAQPD-LSDHHAIUSA-N 1 0 314.429 3.780 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488931 1021561882 /nfs/dbraw/zinc/56/18/82/1021561882.db2.gz PPZYMHBTCMMNTQ-CABCVRRESA-N 1 0 300.402 3.526 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1cccc(OC)c1 ZINC000850513620 1021571274 /nfs/dbraw/zinc/57/12/74/1021571274.db2.gz HRBZVISILCSSPS-KDOFPFPSSA-N 1 0 315.413 3.748 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530067 1021583351 /nfs/dbraw/zinc/58/33/51/1021583351.db2.gz WUMQNMIZDBDWHE-GKCIPKSASA-N 1 0 310.441 3.972 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(Br)cc1O ZINC000850530810 1021584084 /nfs/dbraw/zinc/58/40/84/1021584084.db2.gz DEYGKAVBMIXOAY-SNVBAGLBSA-N 1 0 310.191 3.641 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000850530967 1021584611 /nfs/dbraw/zinc/58/46/11/1021584611.db2.gz FXIVSAYZQFNIQR-CKEIUWERSA-N 1 0 313.397 3.661 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(O)c1 ZINC000850532824 1021588108 /nfs/dbraw/zinc/58/81/08/1021588108.db2.gz XNJJHWDBHPLXJB-SZMVWBNQSA-N 1 0 311.425 3.924 20 10 DHCDRO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1cc(Cl)ccc1O ZINC000850538250 1021593517 /nfs/dbraw/zinc/59/35/17/1021593517.db2.gz XBBUYBBTKMPWPA-LBPRGKRZSA-N 1 0 324.783 3.829 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(N2CCCCC2)cc1 ZINC000850546770 1021597557 /nfs/dbraw/zinc/59/75/57/1021597557.db2.gz ORMTVQKIOHDIDM-SNRMKQJTSA-N 1 0 314.473 3.631 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1nsc3ccccc31)CC2 ZINC000850561340 1021605679 /nfs/dbraw/zinc/60/56/79/1021605679.db2.gz NWLBCGKYIFEDHL-OAHLLOKOSA-N 1 0 310.422 3.822 20 10 DHCDRO CC[C@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1O ZINC000850561334 1021606222 /nfs/dbraw/zinc/60/62/22/1021606222.db2.gz NTGXDOXJICJPCF-NSHDSACASA-N 1 0 303.880 3.892 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1 ZINC000850565989 1021609325 /nfs/dbraw/zinc/60/93/25/1021609325.db2.gz IYHQOIBCRPWBCW-CYBMUJFWSA-N 1 0 313.388 3.600 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000850565146 1021609368 /nfs/dbraw/zinc/60/93/68/1021609368.db2.gz BIIQVDFINGCALS-CQSZACIVSA-N 1 0 316.470 3.560 20 10 DHCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567980 1021610444 /nfs/dbraw/zinc/61/04/44/1021610444.db2.gz NDCBXSAJGJKXRU-HNNXBMFYSA-N 1 0 304.478 3.562 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850568507 1021610463 /nfs/dbraw/zinc/61/04/63/1021610463.db2.gz ZKCQCFXGVKSQOE-FQEVSTJZSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568357 1021610522 /nfs/dbraw/zinc/61/05/22/1021610522.db2.gz WEXYDCSCTAVIIA-UZLBHIALSA-N 1 0 316.489 3.706 20 10 DHCDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566496 1021611014 /nfs/dbraw/zinc/61/10/14/1021611014.db2.gz OEZDRNBKZQHYIE-UZLBHIALSA-N 1 0 318.505 3.952 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850566560 1021611491 /nfs/dbraw/zinc/61/14/91/1021611491.db2.gz PMOKMUIMCDDXIL-QGZVFWFLSA-N 1 0 324.468 3.807 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000850570179 1021612581 /nfs/dbraw/zinc/61/25/81/1021612581.db2.gz FERGMXSNRUCVPZ-XJKSGUPXSA-N 1 0 303.446 3.737 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(O)c1C ZINC000850573127 1021616290 /nfs/dbraw/zinc/61/62/90/1021616290.db2.gz JIQOIAHRCYPLID-GJYPPUQNSA-N 1 0 313.441 3.824 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1C ZINC000850577745 1021618074 /nfs/dbraw/zinc/61/80/74/1021618074.db2.gz HHHJOURJKDPBPX-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850583242 1021622287 /nfs/dbraw/zinc/62/22/87/1021622287.db2.gz KCFUWMZWVGXIKJ-NVGCLXPQSA-N 1 0 305.805 3.818 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000182371436 1021623766 /nfs/dbraw/zinc/62/37/66/1021623766.db2.gz RHGXFDHICWDJGA-JTQLQIEISA-N 1 0 316.332 3.532 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850585200 1021625282 /nfs/dbraw/zinc/62/52/82/1021625282.db2.gz WYPNYXCFUBYWPI-JKDFXYPNSA-N 1 0 305.805 3.818 20 10 DHCDRO Cc1cccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c1O ZINC000379640013 1021643468 /nfs/dbraw/zinc/64/34/68/1021643468.db2.gz WPZZDTPTEKJUKH-UHFFFAOYSA-N 1 0 312.457 3.701 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@H]2CCCC[C@H]2C)c1 ZINC000182446610 1021656823 /nfs/dbraw/zinc/65/68/23/1021656823.db2.gz STZZRELZKINYMN-GLJUWKHASA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000379646476 1021657339 /nfs/dbraw/zinc/65/73/39/1021657339.db2.gz JEYVYTQYAOOPBX-QFBILLFUSA-N 1 0 310.441 3.535 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1Cl ZINC000825542795 1021658851 /nfs/dbraw/zinc/65/88/51/1021658851.db2.gz AHIMJEKXCJAQAP-UHFFFAOYSA-N 1 0 319.832 3.871 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000154821082 1021658948 /nfs/dbraw/zinc/65/89/48/1021658948.db2.gz UKVXKGRSDOKNIC-MJGOQNOKSA-N 1 0 312.457 3.606 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1F ZINC000776494967 1021659165 /nfs/dbraw/zinc/65/91/65/1021659165.db2.gz SXPABUPHEJOREF-GOSISDBHSA-N 1 0 322.468 3.559 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000154823782 1021659672 /nfs/dbraw/zinc/65/96/72/1021659672.db2.gz XLFVDOIUKNAAPS-MSOLQXFVSA-N 1 0 316.420 3.875 20 10 DHCDRO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109772975 1021746328 /nfs/dbraw/zinc/74/63/28/1021746328.db2.gz QKGKTVPTMOURMJ-GFCCVEGCSA-N 1 0 318.804 3.505 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)c2cccc(C)c2)c(O)c1OC ZINC000893042102 1021828553 /nfs/dbraw/zinc/82/85/53/1021828553.db2.gz PTTLSWLLMYLEQA-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000746054627 1021839348 /nfs/dbraw/zinc/83/93/48/1021839348.db2.gz VXLFPFSVAVIHIJ-IBGZPJMESA-N 1 0 302.462 3.582 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000919807151 1021909187 /nfs/dbraw/zinc/90/91/87/1021909187.db2.gz WXGRRNVYORWEIL-UHFFFAOYSA-N 1 0 320.477 3.696 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000122696318 1021951187 /nfs/dbraw/zinc/95/11/87/1021951187.db2.gz JQZXXMGXSDKOQU-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CCc1cc(C[N@@H+]2CCO[C@@H](CC)C2)c(O)c(C(C)(C)C)c1 ZINC000919939926 1021975756 /nfs/dbraw/zinc/97/57/56/1021975756.db2.gz KPMOQGNHUUYEOJ-INIZCTEOSA-N 1 0 305.462 3.863 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1O ZINC000179769745 1022083370 /nfs/dbraw/zinc/08/33/70/1022083370.db2.gz KSPYTQFZNVMGLP-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO Oc1ccccc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000183293182 1022086330 /nfs/dbraw/zinc/08/63/30/1022086330.db2.gz USYHUAFLYHGKMN-UHFFFAOYSA-N 1 0 324.468 3.533 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766389895 1022087897 /nfs/dbraw/zinc/08/78/97/1022087897.db2.gz SGGLOHIQLIHAIM-MOPGFXCFSA-N 1 0 304.478 3.999 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCC(OC)CC2)cc1 ZINC000766495480 1022132692 /nfs/dbraw/zinc/13/26/92/1022132692.db2.gz NAEIFOIUODROMR-MDCZIUGASA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000766514207 1022152193 /nfs/dbraw/zinc/15/21/93/1022152193.db2.gz HVCTXLBULLHVET-GOSISDBHSA-N 1 0 312.461 3.691 20 10 DHCDRO O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1)c1ccccc1 ZINC000852801945 1022179375 /nfs/dbraw/zinc/17/93/75/1022179375.db2.gz GIPJPWLHZPEQDO-UHFFFAOYSA-N 1 0 306.409 3.530 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183587919 1022196372 /nfs/dbraw/zinc/19/63/72/1022196372.db2.gz IDXMZQYBETVGKC-FHSNZYRGSA-N 1 0 303.377 3.694 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000183632396 1022217211 /nfs/dbraw/zinc/21/72/11/1022217211.db2.gz CGRMPTNELBODLR-GJZGRUSLSA-N 1 0 314.404 3.851 20 10 DHCDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001169058783 1022235978 /nfs/dbraw/zinc/23/59/78/1022235978.db2.gz LAKDEVYTSFQNQU-SFHVURJKSA-N 1 0 313.441 3.887 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CSc3ccccc3C2)cc1 ZINC001172210182 1033042212 /nfs/dbraw/zinc/04/22/12/1033042212.db2.gz VSUBTCUBXBFPOQ-SFHVURJKSA-N 1 0 312.482 3.901 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000266141109 1022288255 /nfs/dbraw/zinc/28/82/55/1022288255.db2.gz HGBPGAUPBHPVKQ-CTXDPNEZSA-N 1 0 315.505 3.638 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000182466844 1022289291 /nfs/dbraw/zinc/28/92/91/1022289291.db2.gz GPFLIOYEPKMWHL-PIGZYNQJSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1O ZINC000853544647 1022289690 /nfs/dbraw/zinc/28/96/90/1022289690.db2.gz XRRJAOBXIZDLPG-INIZCTEOSA-N 1 0 301.361 3.795 20 10 DHCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853630175 1022300946 /nfs/dbraw/zinc/30/09/46/1022300946.db2.gz DCJHGVXJQDUIIS-AWEZNQCLSA-N 1 0 320.392 3.896 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631257 1022301013 /nfs/dbraw/zinc/30/10/13/1022301013.db2.gz UQQOLVZOYMFBEF-KPZWWZAWSA-N 1 0 321.367 3.790 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)c1ccccc1 ZINC000756414011 1022312031 /nfs/dbraw/zinc/31/20/31/1022312031.db2.gz HKRUDACVTRYBLH-KGLIPLIRSA-N 1 0 302.393 3.707 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccc1O ZINC000183428029 1022345846 /nfs/dbraw/zinc/34/58/46/1022345846.db2.gz VIAGDPCWJRGFGE-OAHLLOKOSA-N 1 0 311.429 3.628 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756461546 1022399656 /nfs/dbraw/zinc/39/96/56/1022399656.db2.gz UPIGDTBFCDCQPR-XGWLTEMNSA-N 1 0 315.388 3.711 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000854225283 1022434145 /nfs/dbraw/zinc/43/41/45/1022434145.db2.gz BRBMAVUBYNPBNI-GTTSAUCSSA-N 1 0 312.388 3.939 20 10 DHCDRO CCOc1cccc(C[NH2+]CC2(CCOC)CCCCC2)c1O ZINC000185229278 1022469028 /nfs/dbraw/zinc/46/90/28/1022469028.db2.gz ZMSOXYRKJSNXLP-UHFFFAOYSA-N 1 0 321.461 3.868 20 10 DHCDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccccc2O)c1 ZINC000179554042 1022470483 /nfs/dbraw/zinc/47/04/83/1022470483.db2.gz YTTWYBZWEAYYKD-KRWDZBQOSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000237651339 1022477623 /nfs/dbraw/zinc/47/76/23/1022477623.db2.gz PDVRYXRCJMIIIU-OAQYLSRUSA-N 1 0 324.468 3.809 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000179672249 1022499781 /nfs/dbraw/zinc/49/97/81/1022499781.db2.gz OQETYPHCCZGEAL-QGZVFWFLSA-N 1 0 315.438 3.691 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000273303808 1022534735 /nfs/dbraw/zinc/53/47/35/1022534735.db2.gz CEMSWKBNCDNJKD-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169796454 1022548353 /nfs/dbraw/zinc/54/83/53/1022548353.db2.gz NUDOTENZUHMWNP-UHFFFAOYSA-N 1 0 309.457 3.992 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776770419 1022558138 /nfs/dbraw/zinc/55/81/38/1022558138.db2.gz APVRDSCIQRISSH-KRWDZBQOSA-N 1 0 303.446 3.609 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C3CC3)C1)oc1ccccc12 ZINC000776772736 1022560568 /nfs/dbraw/zinc/56/05/68/1022560568.db2.gz PQHNYUVCADIRQT-FQEVSTJZSA-N 1 0 323.392 3.902 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1O ZINC000179906912 1022577586 /nfs/dbraw/zinc/57/75/86/1022577586.db2.gz ZDCISAJPYJHANZ-UHFFFAOYSA-N 1 0 315.388 3.883 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2C)cc1OC ZINC000180076135 1022624926 /nfs/dbraw/zinc/62/49/26/1022624926.db2.gz RLQYEIUWUMYMDQ-ZDUSSCGKSA-N 1 0 313.397 3.529 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000068478574 1022651073 /nfs/dbraw/zinc/65/10/73/1022651073.db2.gz ULFQOBVLBKUOFM-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO CC[C@H]([NH2+]CCSC)c1cc(Br)ccc1O ZINC000068994272 1022854058 /nfs/dbraw/zinc/85/40/58/1022854058.db2.gz YCRCWFBRVUFKIU-NSHDSACASA-N 1 0 304.253 3.558 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1F ZINC000856807997 1022873661 /nfs/dbraw/zinc/87/36/61/1022873661.db2.gz UKDZSJIVKOQGDJ-NSHDSACASA-N 1 0 305.224 3.565 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000768137080 1022904629 /nfs/dbraw/zinc/90/46/29/1022904629.db2.gz FZGNKIKGWKMAAL-QGZVFWFLSA-N 1 0 312.413 3.913 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1F ZINC000768233100 1022931412 /nfs/dbraw/zinc/93/14/12/1022931412.db2.gz KVDJCQDSNKQGQP-UHFFFAOYSA-N 1 0 321.484 3.588 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccccc3C)CC2)c1 ZINC000768251562 1022932335 /nfs/dbraw/zinc/93/23/35/1022932335.db2.gz ORVXZGOIBBDPEX-UHFFFAOYSA-N 1 0 324.468 3.717 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000768257533 1022932833 /nfs/dbraw/zinc/93/28/33/1022932833.db2.gz KYXUMABIRLBQCL-UHFFFAOYSA-N 1 0 310.441 3.931 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c(O)c1 ZINC000768261662 1022935301 /nfs/dbraw/zinc/93/53/01/1022935301.db2.gz FUPVPIOIXYXZHM-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO COc1ccsc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258196 1022936979 /nfs/dbraw/zinc/93/69/79/1022936979.db2.gz TUJNAOKNSJDWPP-UHFFFAOYSA-N 1 0 316.470 3.987 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c2c1c(F)ccc2O ZINC000768295463 1022942108 /nfs/dbraw/zinc/94/21/08/1022942108.db2.gz SJOJDYOQTHWZLM-NRYBGFRQSA-N 1 0 319.420 3.874 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000191011553 1022942872 /nfs/dbraw/zinc/94/28/72/1022942872.db2.gz GETIQMDASVLTAH-GDBMZVCRSA-N 1 0 319.445 3.933 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000768296665 1022943485 /nfs/dbraw/zinc/94/34/85/1022943485.db2.gz YHOAIOQBFICMHD-BEVDRBHNSA-N 1 0 316.489 3.999 20 10 DHCDRO COc1cccc(O)c1C[N@H+](Cc1ccccc1F)C(C)C ZINC000768335556 1022946555 /nfs/dbraw/zinc/94/65/55/1022946555.db2.gz XKRGTDKJMNYEMW-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@H+](C1CC1)C1CCCCC1 ZINC000768339713 1022948778 /nfs/dbraw/zinc/94/87/78/1022948778.db2.gz YDZHWVYGLSPRBF-UHFFFAOYSA-N 1 0 314.473 3.820 20 10 DHCDRO COc1cc(C[N@@H+]2CCCc3sccc3C2)c(O)cc1C ZINC000768450151 1022967554 /nfs/dbraw/zinc/96/75/54/1022967554.db2.gz IJSQUBCDURAKES-UHFFFAOYSA-N 1 0 303.427 3.719 20 10 DHCDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768447391 1022968193 /nfs/dbraw/zinc/96/81/93/1022968193.db2.gz OSGNHUGWNUXBRO-UKRRQHHQSA-N 1 0 307.434 3.810 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)CCCC2 ZINC000768465450 1022974302 /nfs/dbraw/zinc/97/43/02/1022974302.db2.gz NANYXFLDCRVINW-GOSISDBHSA-N 1 0 315.457 3.520 20 10 DHCDRO C[N@H+](CCc1cccc(Br)c1)Cc1ccccc1O ZINC000768505241 1022976620 /nfs/dbraw/zinc/97/66/20/1022976620.db2.gz NQZKHEZXYLDMPH-UHFFFAOYSA-N 1 0 320.230 3.829 20 10 DHCDRO C[C@H](C1CC1)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000768532871 1022983127 /nfs/dbraw/zinc/98/31/27/1022983127.db2.gz PNBOAMUTNPTZGR-SNVBAGLBSA-N 1 0 310.235 3.918 20 10 DHCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539885 1022985385 /nfs/dbraw/zinc/98/53/85/1022985385.db2.gz DDLZNLDRWNHKAZ-LJQANCHMSA-N 1 0 316.489 3.925 20 10 DHCDRO Oc1ccc(CNc2cc(OCc3ccccc3)cc[nH+]2)cc1O ZINC001169993816 1022990141 /nfs/dbraw/zinc/99/01/41/1022990141.db2.gz UJKBHUFFJPSDMT-UHFFFAOYSA-N 1 0 322.364 3.684 20 10 DHCDRO Cc1cccnc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000295001912 1022991924 /nfs/dbraw/zinc/99/19/24/1022991924.db2.gz LKOYNIVWNSIWGS-UHFFFAOYSA-N 1 0 309.457 3.713 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000123430545 1023040129 /nfs/dbraw/zinc/04/01/29/1023040129.db2.gz CQHLBTYPRWBJJQ-DLBZAZTESA-N 1 0 300.446 3.530 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000768914259 1023054801 /nfs/dbraw/zinc/05/48/01/1023054801.db2.gz UPPLFUDZKMDQNX-RBSFLKMASA-N 1 0 322.880 3.883 20 10 DHCDRO Cc1ccc(O)c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000768913745 1023055345 /nfs/dbraw/zinc/05/53/45/1023055345.db2.gz RRJUDGHKXRLONK-SOLBZPMBSA-N 1 0 302.462 3.538 20 10 DHCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1C ZINC000768913726 1023055571 /nfs/dbraw/zinc/05/55/71/1023055571.db2.gz QXSSKBIGDASPQG-LMMKCTJWSA-N 1 0 316.489 3.846 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1C(C)C ZINC000123776769 1023067011 /nfs/dbraw/zinc/06/70/11/1023067011.db2.gz SUWOUUDLYAUACA-OAHLLOKOSA-N 1 0 303.446 3.825 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C)s3)CC2)cc1 ZINC000768997162 1023075807 /nfs/dbraw/zinc/07/58/07/1023075807.db2.gz AJLKWOAYNDMOKS-UHFFFAOYSA-N 1 0 316.470 3.777 20 10 DHCDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769164360 1023095358 /nfs/dbraw/zinc/09/53/58/1023095358.db2.gz IVKYKHMTDAAHHD-LJQANCHMSA-N 1 0 316.489 3.924 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000769315682 1023119153 /nfs/dbraw/zinc/11/91/53/1023119153.db2.gz KQWRTJVWFXOBHJ-GOSISDBHSA-N 1 0 316.489 3.789 20 10 DHCDRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769311204 1023119271 /nfs/dbraw/zinc/11/92/71/1023119271.db2.gz ZQJZTBKKOYPINN-JXFKEZNVSA-N 1 0 310.441 3.715 20 10 DHCDRO COc1cccc(O)c1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000769405754 1023143604 /nfs/dbraw/zinc/14/36/04/1023143604.db2.gz XRCFAQCWAARXFX-UHFFFAOYSA-N 1 0 315.388 3.747 20 10 DHCDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769426330 1023146513 /nfs/dbraw/zinc/14/65/13/1023146513.db2.gz PZSBEDQFPFRWHD-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1O ZINC000769424583 1023146630 /nfs/dbraw/zinc/14/66/30/1023146630.db2.gz LSIFGQSUGFMYAT-HXUWFJFHSA-N 1 0 311.425 3.955 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000769541499 1023167040 /nfs/dbraw/zinc/16/70/40/1023167040.db2.gz CCTQFIQIFCGTKK-NRFANRHFSA-N 1 0 324.468 3.670 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000769502015 1023168730 /nfs/dbraw/zinc/16/87/30/1023168730.db2.gz RNARWVVCLMRCLB-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000769519231 1023172323 /nfs/dbraw/zinc/17/23/23/1023172323.db2.gz LWPCOUUYEVVULC-LJQANCHMSA-N 1 0 316.489 3.781 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1c(C)nn(C)c1C ZINC000756616069 1023200792 /nfs/dbraw/zinc/20/07/92/1023200792.db2.gz HUIDFLOHASGQKI-WBMJQRKESA-N 1 0 301.434 3.853 20 10 DHCDRO CCCN(Cc1c[nH]nc1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000194980465 1023202726 /nfs/dbraw/zinc/20/27/26/1023202726.db2.gz VLBNRQDXNAXJMP-UHFFFAOYSA-N 1 0 320.440 3.952 20 10 DHCDRO CCCCCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172378426 1033115116 /nfs/dbraw/zinc/11/51/16/1033115116.db2.gz KVVQFBYNTKNFQM-QAPCUYQASA-N 1 0 309.450 3.860 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)s3)CC2)cc1F ZINC000770300992 1023294246 /nfs/dbraw/zinc/29/42/46/1023294246.db2.gz JXTMBVUSIAMEDC-UHFFFAOYSA-N 1 0 320.433 3.526 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000770354548 1023303913 /nfs/dbraw/zinc/30/39/13/1023303913.db2.gz YANOPWMZCDYFTE-MSOLQXFVSA-N 1 0 302.462 3.532 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(O)(CC)CC2)cc1F ZINC000771875128 1023480534 /nfs/dbraw/zinc/48/05/34/1023480534.db2.gz OPEHIYPZMAJABQ-UHFFFAOYSA-N 1 0 322.468 3.845 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1 ZINC000771893827 1023487326 /nfs/dbraw/zinc/48/73/26/1023487326.db2.gz HWRARJJFXIEFFT-UHFFFAOYSA-N 1 0 315.486 3.940 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000771935161 1023489671 /nfs/dbraw/zinc/48/96/71/1023489671.db2.gz LXLGHIQURAPRND-UHFFFAOYSA-N 1 0 315.436 3.590 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000756710491 1023550410 /nfs/dbraw/zinc/55/04/10/1023550410.db2.gz CREMNAGDRJQJTH-MEBBXXQBSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876790857 1033144561 /nfs/dbraw/zinc/14/45/61/1033144561.db2.gz DHXPSMXPNCYOOP-INIZCTEOSA-N 1 0 304.478 3.516 20 10 DHCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000785990254 1023649361 /nfs/dbraw/zinc/64/93/61/1023649361.db2.gz ZYVZEUSUWVPKRL-MBOZVWFJSA-N 1 0 316.489 3.658 20 10 DHCDRO CC(C)CCOCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236744949 1023700974 /nfs/dbraw/zinc/70/09/74/1023700974.db2.gz XUSQEEWLDPVMQQ-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000786829679 1023727853 /nfs/dbraw/zinc/72/78/53/1023727853.db2.gz MIVAYOJWVKTYHK-SFHVURJKSA-N 1 0 310.441 3.544 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000786821858 1023730573 /nfs/dbraw/zinc/73/05/73/1023730573.db2.gz SGEYPJRKEZVGMP-AUUYWEPGSA-N 1 0 316.420 3.758 20 10 DHCDRO Oc1ccccc1C[N@H+](CC[C@@H]1CCCO1)Cc1ccco1 ZINC000787261984 1023776837 /nfs/dbraw/zinc/77/68/37/1023776837.db2.gz YDNABYUSESVSDH-INIZCTEOSA-N 1 0 301.386 3.557 20 10 DHCDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001172434274 1033166714 /nfs/dbraw/zinc/16/67/14/1033166714.db2.gz NEVPOLTYWBPMFZ-QGZVFWFLSA-N 1 0 304.478 3.970 20 10 DHCDRO CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788504152 1023896225 /nfs/dbraw/zinc/89/62/25/1023896225.db2.gz BKSUFHVXANCENJ-GFCCVEGCSA-N 1 0 318.383 3.792 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c(O)c1 ZINC000788501609 1023896295 /nfs/dbraw/zinc/89/62/95/1023896295.db2.gz FVGMKVKBBJYVBB-WMZOPIPTSA-N 1 0 312.457 3.963 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC000788536833 1023902109 /nfs/dbraw/zinc/90/21/09/1023902109.db2.gz HRLZPUHYBPLLKK-VQTJNVASSA-N 1 0 313.441 3.857 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000788687642 1023919970 /nfs/dbraw/zinc/91/99/70/1023919970.db2.gz RLUJXQGYMXXVRD-KUHUBIRLSA-N 1 0 317.404 3.706 20 10 DHCDRO CCOC1CC(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000788982317 1023959638 /nfs/dbraw/zinc/95/96/38/1023959638.db2.gz XDOLOAXLQFBIGF-LPXQKFACSA-N 1 0 307.409 3.874 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000194549239 1024006087 /nfs/dbraw/zinc/00/60/87/1024006087.db2.gz QWLOXCVMXKUUKC-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876920424 1033183738 /nfs/dbraw/zinc/18/37/38/1033183738.db2.gz QYFYYUUAXUNDEK-UHFFFAOYSA-N 1 0 318.505 3.952 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130365031 1024157336 /nfs/dbraw/zinc/15/73/36/1024157336.db2.gz QFAFIIMDIDQTMW-OALUTQOASA-N 1 0 316.420 3.666 20 10 DHCDRO CCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1O ZINC000789727884 1024158674 /nfs/dbraw/zinc/15/86/74/1024158674.db2.gz JLWYXLAXXQGNAI-UHFFFAOYSA-N 1 0 311.385 3.788 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)OCO2 ZINC000026237668 1024176904 /nfs/dbraw/zinc/17/69/04/1024176904.db2.gz CVKSXJNUXNATMF-OAHLLOKOSA-N 1 0 315.344 3.597 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N(C)C1CC1 ZINC000130702118 1024204532 /nfs/dbraw/zinc/20/45/32/1024204532.db2.gz ZURQTFLTELATOZ-SJORKVTESA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000876967731 1033194591 /nfs/dbraw/zinc/19/45/91/1033194591.db2.gz KECJFSUQGAIGKI-XLIONFOSSA-N 1 0 311.425 3.958 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)COC2 ZINC000269048700 1024228894 /nfs/dbraw/zinc/22/88/94/1024228894.db2.gz VIFMWVWORUAHKR-ZDUSSCGKSA-N 1 0 314.404 3.773 20 10 DHCDRO CCCCOc1ncccc1C[NH2+]Cc1c(C)cccc1O ZINC000876986498 1033197832 /nfs/dbraw/zinc/19/78/32/1033197832.db2.gz HAQQELZBTISLKN-UHFFFAOYSA-N 1 0 300.402 3.564 20 10 DHCDRO COC(OC)c1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000883226297 1024301554 /nfs/dbraw/zinc/30/15/54/1024301554.db2.gz VPZNIWYHOQKDKY-LBPRGKRZSA-N 1 0 319.376 3.674 20 10 DHCDRO COC1CCC(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790986167 1024411285 /nfs/dbraw/zinc/41/12/85/1024411285.db2.gz IBYZWPOMRYXZMH-UHFFFAOYSA-N 1 0 315.816 3.870 20 10 DHCDRO Cc1ccc(C(C)(C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000790986233 1024412152 /nfs/dbraw/zinc/41/21/52/1024412152.db2.gz KJNGLJMHMMFYBN-UHFFFAOYSA-N 1 0 308.784 3.913 20 10 DHCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972105 1024419972 /nfs/dbraw/zinc/41/99/72/1024419972.db2.gz DDHAYMRHJXEPNX-BZNIZROVSA-N 1 0 315.816 3.726 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(CO)cc3)cc2)CC1 ZINC000877024730 1033210684 /nfs/dbraw/zinc/21/06/84/1033210684.db2.gz MSMXADZSKRDDOI-UHFFFAOYSA-N 1 0 324.468 3.705 20 10 DHCDRO COc1cc(O)c(C[N@H+](Cc2cccs2)C(C)C)cc1OC ZINC000271055294 1024452260 /nfs/dbraw/zinc/45/22/60/1024452260.db2.gz ABOLCYXDRQEBOL-UHFFFAOYSA-N 1 0 321.442 3.882 20 10 DHCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271486370 1024520701 /nfs/dbraw/zinc/52/07/01/1024520701.db2.gz KIDHRUFUKJWVQU-HZPDHXFCSA-N 1 0 322.468 3.875 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1N(C)C ZINC000271539991 1024535261 /nfs/dbraw/zinc/53/52/61/1024535261.db2.gz UEVZRCSYIVZBKM-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825933572 1033223032 /nfs/dbraw/zinc/22/30/32/1033223032.db2.gz ADWQVHLRCXUVEZ-LLVKDONJSA-N 1 0 321.804 3.919 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000877067140 1033225279 /nfs/dbraw/zinc/22/52/79/1033225279.db2.gz YUVRNYSPTVRUEJ-UHFFFAOYSA-N 1 0 321.424 3.605 20 10 DHCDRO CCc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)cc1 ZINC000792189988 1024645778 /nfs/dbraw/zinc/64/57/78/1024645778.db2.gz PPXXXADFVWXGGO-LJQANCHMSA-N 1 0 311.425 3.837 20 10 DHCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166751158 1024646419 /nfs/dbraw/zinc/64/64/19/1024646419.db2.gz MOYXQXLVNFYPHI-CVEARBPZSA-N 1 0 322.468 3.875 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000800218564 1024742910 /nfs/dbraw/zinc/74/29/10/1024742910.db2.gz WMYITVDPHAOZJO-PKOBYXMFSA-N 1 0 309.457 3.964 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1O ZINC000116374233 1024859207 /nfs/dbraw/zinc/85/92/07/1024859207.db2.gz QPQDPCXXNXQKLZ-UHFFFAOYSA-N 1 0 318.442 3.807 20 10 DHCDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000747100276 1024891375 /nfs/dbraw/zinc/89/13/75/1024891375.db2.gz SRMQTPLIBKFWSO-CABCVRRESA-N 1 0 311.425 3.912 20 10 DHCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000134787512 1033244042 /nfs/dbraw/zinc/24/40/42/1033244042.db2.gz ANEFTEXOMBKMCO-LVLWZLKYSA-N 1 0 307.821 3.654 20 10 DHCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231132 1024943188 /nfs/dbraw/zinc/94/31/88/1024943188.db2.gz LBSHKBYRJIVZOH-ZYHUDNBSSA-N 1 0 304.331 3.664 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793231292 1024945567 /nfs/dbraw/zinc/94/55/67/1024945567.db2.gz MBJZJWZEFUKNNL-PWSUYJOCSA-N 1 0 303.324 3.564 20 10 DHCDRO OC[C@H](CC1CCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000793320466 1024986925 /nfs/dbraw/zinc/98/69/25/1024986925.db2.gz DNGRMUVQQJQPCD-IBGZPJMESA-N 1 0 311.425 3.700 20 10 DHCDRO COc1cccc(O)c1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000793337153 1024995274 /nfs/dbraw/zinc/99/52/74/1024995274.db2.gz CZIGMMUHOLHHKM-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172551 1025007977 /nfs/dbraw/zinc/00/79/77/1025007977.db2.gz MNVOLRLYCCQEOP-SMDDNHRTSA-N 1 0 310.235 3.919 20 10 DHCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000793369504 1025008221 /nfs/dbraw/zinc/00/82/21/1025008221.db2.gz IYMUFVSCPJPUEA-SFHVURJKSA-N 1 0 316.489 3.781 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000120216955 1025018401 /nfs/dbraw/zinc/01/84/01/1025018401.db2.gz WEEATMKBKVLKNU-XJKSGUPXSA-N 1 0 303.446 3.879 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000793610305 1025128074 /nfs/dbraw/zinc/12/80/74/1025128074.db2.gz STRFTKNFONXLLW-RBUKOAKNSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1cccnc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279785581 1025263869 /nfs/dbraw/zinc/26/38/69/1025263869.db2.gz CJQSCVPMTCTAQW-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO CCC(CC)(CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000236627831 1025416145 /nfs/dbraw/zinc/41/61/45/1025416145.db2.gz MCQSRXSSPLBQRY-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO Cc1n[nH]c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000885975103 1025426517 /nfs/dbraw/zinc/42/65/17/1025426517.db2.gz KKGGRJAAWHNJDG-UHFFFAOYSA-N 1 0 312.461 3.553 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008525 1025436425 /nfs/dbraw/zinc/43/64/25/1025436425.db2.gz OPNDKYWPYOMSHL-QFBILLFUSA-N 1 0 301.430 3.563 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1O ZINC000279949884 1025515517 /nfs/dbraw/zinc/51/55/17/1025515517.db2.gz BQVHBHMOPGISNQ-SFHVURJKSA-N 1 0 312.413 3.900 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1OC ZINC001143536703 1025554491 /nfs/dbraw/zinc/55/44/91/1025554491.db2.gz FIUFLJDYMOMSMV-UHFFFAOYSA-N 1 0 316.420 3.922 20 10 DHCDRO Cc1ccnc(N)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000894017997 1025651780 /nfs/dbraw/zinc/65/17/80/1025651780.db2.gz WIZCVRUAEIKXSK-UHFFFAOYSA-N 1 0 311.429 3.623 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1c([O-])cccc1F ZINC000886536834 1025687609 /nfs/dbraw/zinc/68/76/09/1025687609.db2.gz PFTSKMMQZQVXQU-ZDUSSCGKSA-N 1 0 306.425 3.589 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886588728 1025726130 /nfs/dbraw/zinc/72/61/30/1025726130.db2.gz XXONVWGFNGYVCD-QLFBSQMISA-N 1 0 320.452 3.835 20 10 DHCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000806132508 1025777687 /nfs/dbraw/zinc/77/76/87/1025777687.db2.gz WYFWVGUXHOCHHJ-CXHZTBPHSA-N 1 0 320.452 3.718 20 10 DHCDRO CC[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128171 1025791640 /nfs/dbraw/zinc/79/16/40/1025791640.db2.gz GXMHVDZURZPWQZ-ZDUSSCGKSA-N 1 0 305.249 3.691 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000806172148 1025798534 /nfs/dbraw/zinc/79/85/34/1025798534.db2.gz GRMWZBGATQLALW-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000247110932 1025859995 /nfs/dbraw/zinc/85/99/95/1025859995.db2.gz PEHPJAYLFXGASB-LNLFQRSKSA-N 1 0 316.489 3.879 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1O ZINC000236961937 1025863865 /nfs/dbraw/zinc/86/38/65/1025863865.db2.gz GVAGVUGHBNUDJG-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000137069671 1025879129 /nfs/dbraw/zinc/87/91/29/1025879129.db2.gz JMCQCTFMJXEWGQ-INIZCTEOSA-N 1 0 301.386 3.777 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000886774191 1025893858 /nfs/dbraw/zinc/89/38/58/1025893858.db2.gz JNQDLZSPUYARRX-KBXCAEBGSA-N 1 0 319.445 3.791 20 10 DHCDRO CN1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000729682408 1025928687 /nfs/dbraw/zinc/92/86/87/1025928687.db2.gz QEUMEHCRGPQWAY-INIZCTEOSA-N 1 0 318.505 3.781 20 10 DHCDRO CCOC[C@@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000729682695 1025940016 /nfs/dbraw/zinc/94/00/16/1025940016.db2.gz ZIXRGOBYVFCKRL-OAHLLOKOSA-N 1 0 300.446 3.917 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC000236975217 1025961262 /nfs/dbraw/zinc/96/12/62/1025961262.db2.gz QOBPNCDUKFYTAM-MSOLQXFVSA-N 1 0 302.462 3.580 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513451 1026055775 /nfs/dbraw/zinc/05/57/75/1026055775.db2.gz JPAJVCKLBYYBIF-CQSZACIVSA-N 1 0 313.401 3.902 20 10 DHCDRO CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c(O)c1 ZINC000729685668 1026130730 /nfs/dbraw/zinc/13/07/30/1026130730.db2.gz IZNAFNIZDBVJTG-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894141581 1026153964 /nfs/dbraw/zinc/15/39/64/1026153964.db2.gz UMPSKVZCMCUKBM-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)no1 ZINC000747448122 1026184804 /nfs/dbraw/zinc/18/48/04/1026184804.db2.gz BNTGMVGRUVBJRV-QGZVFWFLSA-N 1 0 309.369 3.574 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289860124 1026204522 /nfs/dbraw/zinc/20/45/22/1026204522.db2.gz QXQWQNJWUQWFNK-SJKOYZFVSA-N 1 0 303.427 3.592 20 10 DHCDRO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000808190856 1026222793 /nfs/dbraw/zinc/22/27/93/1026222793.db2.gz KHRUJEJBKZXHMG-BEFAXECRSA-N 1 0 310.441 3.604 20 10 DHCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808443088 1026286845 /nfs/dbraw/zinc/28/68/45/1026286845.db2.gz AILQHXKTNPQAKY-XXFAHNHDSA-N 1 0 307.752 3.797 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)c(O)c1 ZINC000894185486 1026336021 /nfs/dbraw/zinc/33/60/21/1026336021.db2.gz OTKBHRRYJZYIDK-UHFFFAOYSA-N 1 0 311.303 3.767 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cn3ccsc3n2)c1O ZINC000808682921 1026346921 /nfs/dbraw/zinc/34/69/21/1026346921.db2.gz ZGPHAPPXHGNWIW-JTQLQIEISA-N 1 0 321.833 3.914 20 10 DHCDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808679899 1026347674 /nfs/dbraw/zinc/34/76/74/1026347674.db2.gz DORVKZFPRMATEZ-SJORKVTESA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000808691186 1026349122 /nfs/dbraw/zinc/34/91/22/1026349122.db2.gz GBHLOBINCSAYDE-CJNGLKHVSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808693969 1026350373 /nfs/dbraw/zinc/35/03/73/1026350373.db2.gz WKZZKEFJQFRYTH-SNVBAGLBSA-N 1 0 308.809 3.852 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)ccn1 ZINC000808674103 1026353319 /nfs/dbraw/zinc/35/33/19/1026353319.db2.gz ACRXKYHMZCOUNT-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)c2c1c(F)ccc2O ZINC000808727777 1026358200 /nfs/dbraw/zinc/35/82/00/1026358200.db2.gz LUUVDAPIEMZDCX-LALPHHSUSA-N 1 0 313.372 3.845 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNc2ccccn2)c1O ZINC000808701051 1026375745 /nfs/dbraw/zinc/37/57/45/1026375745.db2.gz ORPYWPLJLODGLT-CYBMUJFWSA-N 1 0 319.836 3.902 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1O ZINC000894236589 1026564013 /nfs/dbraw/zinc/56/40/13/1026564013.db2.gz CAJNULRZVHJQEI-UHFFFAOYSA-N 1 0 320.458 3.753 20 10 DHCDRO Cc1ccncc1CCC[NH2+]CCCSc1nccs1 ZINC000809623399 1026574679 /nfs/dbraw/zinc/57/46/79/1026574679.db2.gz UXGLTMLVHQIMBO-UHFFFAOYSA-N 1 0 307.488 3.551 20 10 DHCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000809643431 1026581402 /nfs/dbraw/zinc/58/14/02/1026581402.db2.gz QTZHPXAGYKRDGM-IBGZPJMESA-N 1 0 313.441 3.782 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000280066240 1026581704 /nfs/dbraw/zinc/58/17/04/1026581704.db2.gz LTLULFYMBUDHSD-ZJUUUORDSA-N 1 0 316.264 3.558 20 10 DHCDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000809767270 1026605235 /nfs/dbraw/zinc/60/52/35/1026605235.db2.gz IFOMWPOCJHNJKA-IBGZPJMESA-N 1 0 304.478 3.516 20 10 DHCDRO CCCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000809764675 1026619681 /nfs/dbraw/zinc/61/96/81/1026619681.db2.gz GPXBJCQGESIGSI-HNNXBMFYSA-N 1 0 307.434 3.858 20 10 DHCDRO CCCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000809764392 1026620573 /nfs/dbraw/zinc/62/05/73/1026620573.db2.gz FXEHZALMLAJSSG-FQEVSTJZSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(OC)c1O ZINC000809783452 1026624340 /nfs/dbraw/zinc/62/43/40/1026624340.db2.gz DCSQZGOGIPGERX-KRWDZBQOSA-N 1 0 315.413 3.993 20 10 DHCDRO CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C)cc1O ZINC000280286013 1026626148 /nfs/dbraw/zinc/62/61/48/1026626148.db2.gz YVRWNVXCBULHCK-GOSISDBHSA-N 1 0 302.462 3.758 20 10 DHCDRO CSc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000810137326 1026686930 /nfs/dbraw/zinc/68/69/30/1026686930.db2.gz AENGWXCFGNBBDZ-UHFFFAOYSA-N 1 0 310.463 3.965 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000810145154 1026690281 /nfs/dbraw/zinc/69/02/81/1026690281.db2.gz UIVAYBVYILNQEG-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO COc1cccc(C2(C[NH2+]Cc3cc(Cl)ccc3O)CC2)c1 ZINC000810157326 1026697969 /nfs/dbraw/zinc/69/79/69/1026697969.db2.gz PJSURKAKAVHYCI-UHFFFAOYSA-N 1 0 317.816 3.876 20 10 DHCDRO CC[C@@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810211368 1026707118 /nfs/dbraw/zinc/70/71/18/1026707118.db2.gz QDEJNSSEIXFBAO-CYBMUJFWSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810214721 1026709402 /nfs/dbraw/zinc/70/94/02/1026709402.db2.gz HIGFQXWJSGZYKM-GWCFXTLKSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810218931 1026709514 /nfs/dbraw/zinc/70/95/14/1026709514.db2.gz MAWXEOIHDSLGOQ-CYBMUJFWSA-N 1 0 313.323 3.683 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810217379 1026710480 /nfs/dbraw/zinc/71/04/80/1026710480.db2.gz CFQDYJBCXCMCNU-YPMHNXCESA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218866 1026710524 /nfs/dbraw/zinc/71/05/24/1026710524.db2.gz DUYNTHWJQIRRQP-ZIAGYGMSSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810224033 1026712013 /nfs/dbraw/zinc/71/20/13/1026712013.db2.gz RBOVRFFACYQMER-GFCCVEGCSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccon1)c1ccc(C(F)(F)F)cc1O ZINC000810221272 1026712115 /nfs/dbraw/zinc/71/21/15/1026712115.db2.gz MZINUVNDHPCZPO-GFCCVEGCSA-N 1 0 300.280 3.640 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226798 1026713276 /nfs/dbraw/zinc/71/32/76/1026713276.db2.gz LOJZZVIOKUDXKL-KBPBESRZSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C1(COC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810232473 1026715186 /nfs/dbraw/zinc/71/51/86/1026715186.db2.gz GUTAJAQYUWEIHC-GFCCVEGCSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O)OC ZINC000810260186 1026720020 /nfs/dbraw/zinc/72/00/20/1026720020.db2.gz GTMIVRBOSVLAMS-JQWIXIFHSA-N 1 0 316.239 3.539 20 10 DHCDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000810259880 1026721305 /nfs/dbraw/zinc/72/13/05/1026721305.db2.gz WDPGUFHXJJJACK-MAUKXSAKSA-N 1 0 310.441 3.715 20 10 DHCDRO COc1ncccc1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000810261339 1026722784 /nfs/dbraw/zinc/72/27/84/1026722784.db2.gz VDBURXGIOLZFKF-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810239872 1026725319 /nfs/dbraw/zinc/72/53/19/1026725319.db2.gz ITKYPGAXBJUIDJ-CQSZACIVSA-N 1 0 315.335 3.798 20 10 DHCDRO CC[C@H]([NH2+]CCC1CC(O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238991 1026725344 /nfs/dbraw/zinc/72/53/44/1026725344.db2.gz UWVGPYACNHEJOH-OVGLSYRBSA-N 1 0 317.351 3.613 20 10 DHCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000810244159 1026726920 /nfs/dbraw/zinc/72/69/20/1026726920.db2.gz APCBNTOVGZJDBF-GJZGRUSLSA-N 1 0 304.478 3.650 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C4CC4)C3)cc2)CC1 ZINC000828563492 1026963142 /nfs/dbraw/zinc/96/31/42/1026963142.db2.gz DURCEOCUFZBPPS-SFHVURJKSA-N 1 0 314.473 3.534 20 10 DHCDRO Cc1ccc(O)c(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000811508246 1027025105 /nfs/dbraw/zinc/02/51/05/1027025105.db2.gz IFMOTCSSEOHZDD-GOSISDBHSA-N 1 0 308.425 3.685 20 10 DHCDRO CC[C@]1(C[NH2+]Cc2cccc(C)c2O)OCCc2ccccc21 ZINC000811509998 1027027271 /nfs/dbraw/zinc/02/72/71/1027027271.db2.gz PMRUKVQBPGWEMS-HXUWFJFHSA-N 1 0 311.425 3.668 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513574 1027028847 /nfs/dbraw/zinc/02/88/47/1027028847.db2.gz KMBBPXNAZBWVOS-OAHLLOKOSA-N 1 0 322.246 3.919 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCC1(F)F ZINC000811779783 1027081959 /nfs/dbraw/zinc/08/19/59/1027081959.db2.gz SQXKGQCCTBWNEQ-NSHDSACASA-N 1 0 313.388 3.872 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)c1c(F)cccc1F ZINC000271850177 1027161897 /nfs/dbraw/zinc/16/18/97/1027161897.db2.gz SXKNFPHEXVAPEC-YJBOKZPZSA-N 1 0 321.367 3.581 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(F)C3)cc2)CC1 ZINC000295301655 1027187053 /nfs/dbraw/zinc/18/70/53/1027187053.db2.gz FHYBRKMPXYLPAU-LJQANCHMSA-N 1 0 320.452 3.626 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](Cc1cncn1C)Cc1ccccc1O ZINC000272011388 1027203420 /nfs/dbraw/zinc/20/34/20/1027203420.db2.gz JXSAHZIEIBFCPP-MRXNPFEDSA-N 1 0 321.424 3.889 20 10 DHCDRO CCc1nc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cs1 ZINC000894276086 1027323832 /nfs/dbraw/zinc/32/38/32/1027323832.db2.gz OGHIMBWLCOZANK-LLVKDONJSA-N 1 0 306.431 3.579 20 10 DHCDRO COCC1(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000812821481 1027414420 /nfs/dbraw/zinc/41/44/20/1027414420.db2.gz GFJOQTGLIIAIEP-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811484 1027439203 /nfs/dbraw/zinc/43/92/03/1027439203.db2.gz ACKAQQLBMTZZEJ-HZPDHXFCSA-N 1 0 301.430 3.851 20 10 DHCDRO C[N@H+](CCc1cscn1)Cc1ccc(N2CCCCC2)cc1 ZINC000296205087 1027572415 /nfs/dbraw/zinc/57/24/15/1027572415.db2.gz CHGSMWKQWREKKU-UHFFFAOYSA-N 1 0 315.486 3.808 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296221434 1027579202 /nfs/dbraw/zinc/57/92/02/1027579202.db2.gz ZUPCXKCKHVLJCS-MRXNPFEDSA-N 1 0 312.413 3.743 20 10 DHCDRO COc1ncc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1Cl ZINC000296309040 1027601782 /nfs/dbraw/zinc/60/17/82/1027601782.db2.gz GGCOIQVUWBETJL-GFCCVEGCSA-N 1 0 320.820 3.917 20 10 DHCDRO COCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000778120145 1027606719 /nfs/dbraw/zinc/60/67/19/1027606719.db2.gz CTNMJZJLSKDPFO-AWEZNQCLSA-N 1 0 309.793 3.814 20 10 DHCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C)c1O ZINC000158924173 1027669847 /nfs/dbraw/zinc/66/98/47/1027669847.db2.gz NQFCDDKLKXZKCZ-SNVBAGLBSA-N 1 0 314.223 3.538 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000159104391 1027724458 /nfs/dbraw/zinc/72/44/58/1027724458.db2.gz YZSFAVNRLRJBNL-GDBMZVCRSA-N 1 0 308.441 3.628 20 10 DHCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296764970 1027730108 /nfs/dbraw/zinc/73/01/08/1027730108.db2.gz LZACQAQWJAMLQE-MRXNPFEDSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[C@H]1C ZINC000813855733 1027730467 /nfs/dbraw/zinc/73/04/67/1027730467.db2.gz SPRACYGXVVHHFC-PYOGLGTISA-N 1 0 320.452 3.573 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000778999469 1027744598 /nfs/dbraw/zinc/74/45/98/1027744598.db2.gz NAFMFXJRDVHSRR-GOSISDBHSA-N 1 0 315.388 3.713 20 10 DHCDRO COc1cccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000779003196 1027756349 /nfs/dbraw/zinc/75/63/49/1027756349.db2.gz QTQGQIZHLSIWPJ-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO Cc1ccc(C)n1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779003496 1027758980 /nfs/dbraw/zinc/75/89/80/1027758980.db2.gz WJISAWWXXWFVTM-UHFFFAOYSA-N 1 0 302.393 3.787 20 10 DHCDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000779021168 1027869576 /nfs/dbraw/zinc/86/95/76/1027869576.db2.gz XOGQEJHXKJPFHC-SFHVURJKSA-N 1 0 314.404 3.934 20 10 DHCDRO CCOc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC000814177756 1027913412 /nfs/dbraw/zinc/91/34/12/1027913412.db2.gz NXKZMPSQZZEPSR-AWEZNQCLSA-N 1 0 313.397 3.574 20 10 DHCDRO COC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779026914 1027916861 /nfs/dbraw/zinc/91/68/61/1027916861.db2.gz IEIXKENFBUQXOP-SNVBAGLBSA-N 1 0 316.239 3.539 20 10 DHCDRO CCOC1(C)CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000814170312 1027927916 /nfs/dbraw/zinc/92/79/16/1027927916.db2.gz VARQZGGBELYNHS-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527947015 1027977924 /nfs/dbraw/zinc/97/79/24/1027977924.db2.gz JMEXIWPABBEMSC-FUHWJXTLSA-N 1 0 302.462 3.840 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1O ZINC000814300940 1028002513 /nfs/dbraw/zinc/00/25/13/1028002513.db2.gz NIUYTXPFZFFHBX-JCNLHEQBSA-N 1 0 315.388 3.966 20 10 DHCDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000814299722 1028003716 /nfs/dbraw/zinc/00/37/16/1028003716.db2.gz CCMSKELWRRBULZ-SAABIXHNSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000527990546 1028014413 /nfs/dbraw/zinc/01/44/13/1028014413.db2.gz OWHMCTBQQLEIKW-GFCCVEGCSA-N 1 0 320.820 3.651 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1C ZINC000528001258 1028023479 /nfs/dbraw/zinc/02/34/79/1028023479.db2.gz MFKRAYZLOGOMEG-RDJZCZTQSA-N 1 0 302.462 3.677 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(Cl)cc1O ZINC000528003396 1028028464 /nfs/dbraw/zinc/02/84/64/1028028464.db2.gz SESVYJFRPBWLIK-IUODEOHRSA-N 1 0 308.853 3.713 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2c1c(F)ccc2O ZINC000528004091 1028030996 /nfs/dbraw/zinc/03/09/96/1028030996.db2.gz VDEFZUAQBJEKND-IVMMDQJWSA-N 1 0 318.436 3.686 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1O ZINC000159573023 1028089445 /nfs/dbraw/zinc/08/94/45/1028089445.db2.gz QXXPMHIOPWAYQW-SFHVURJKSA-N 1 0 307.397 3.819 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000779058378 1028105714 /nfs/dbraw/zinc/10/57/14/1028105714.db2.gz RLGBEKMAKZIQRE-HNNXBMFYSA-N 1 0 305.324 3.674 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779063290 1028127593 /nfs/dbraw/zinc/12/75/93/1028127593.db2.gz FRKIHNQBDBZXGV-KKXDTOCCSA-N 1 0 320.452 3.626 20 10 DHCDRO CC(C)[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000814630841 1028131187 /nfs/dbraw/zinc/13/11/87/1028131187.db2.gz ZESAXOBYEOKLPF-OXJNMPFZSA-N 1 0 313.441 3.972 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1O ZINC000367199380 1028148652 /nfs/dbraw/zinc/14/86/52/1028148652.db2.gz JLDDZAPAMGZTIE-SAZUREKKSA-N 1 0 319.351 3.715 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)c1O ZINC000367958432 1028265095 /nfs/dbraw/zinc/26/50/95/1028265095.db2.gz QYWZZCNUKLBLCQ-PIGZYNQJSA-N 1 0 317.360 3.542 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCCC2)cc1 ZINC000368001188 1028271533 /nfs/dbraw/zinc/27/15/33/1028271533.db2.gz XGHOLQJLLIIMRL-WBVHZDCISA-N 1 0 324.472 3.608 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCCC2)cc1 ZINC000368001187 1028274064 /nfs/dbraw/zinc/27/40/64/1028274064.db2.gz XGHOLQJLLIIMRL-RDJZCZTQSA-N 1 0 324.472 3.608 20 10 DHCDRO Cc1cccnc1C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000368287393 1028331933 /nfs/dbraw/zinc/33/19/33/1028331933.db2.gz BTZOURUBLYYFGJ-INIZCTEOSA-N 1 0 309.457 3.838 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000368325858 1028336707 /nfs/dbraw/zinc/33/67/07/1028336707.db2.gz CUODSXNLSOABJC-XJKSGUPXSA-N 1 0 313.397 3.884 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000368368542 1028345583 /nfs/dbraw/zinc/34/55/83/1028345583.db2.gz CMLQFQQIAYSCCW-UGSOOPFHSA-N 1 0 316.470 3.606 20 10 DHCDRO Cc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)ccc1N(C)C ZINC000815062440 1028346800 /nfs/dbraw/zinc/34/68/00/1028346800.db2.gz UFKNDCHPEFFCPU-INIZCTEOSA-N 1 0 312.457 3.830 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1 ZINC000815113749 1028359006 /nfs/dbraw/zinc/35/90/06/1028359006.db2.gz JSBXDAVDSLHLFK-UHFFFAOYSA-N 1 0 312.461 3.554 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000815112725 1028359744 /nfs/dbraw/zinc/35/97/44/1028359744.db2.gz ZSSPGQIRCMDGQR-NHCUHLMSSA-N 1 0 323.484 3.678 20 10 DHCDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095046 1028376366 /nfs/dbraw/zinc/37/63/66/1028376366.db2.gz RBHWNHWDWJLMDB-QGZVFWFLSA-N 1 0 304.478 3.700 20 10 DHCDRO COc1cc(CC[NH2+]Cc2cc(C)ccc2O)ccc1Cl ZINC000815164471 1028390483 /nfs/dbraw/zinc/39/04/83/1028390483.db2.gz XCXOTAGLKAESTE-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO COc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1C ZINC000815141564 1028399347 /nfs/dbraw/zinc/39/93/47/1028399347.db2.gz FLDKPKXLSBZJLJ-UHFFFAOYSA-N 1 0 324.346 3.750 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000368795964 1028410737 /nfs/dbraw/zinc/41/07/37/1028410737.db2.gz HYLZKQHSVNZTTA-FUHWJXTLSA-N 1 0 319.445 3.503 20 10 DHCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000779149181 1028439933 /nfs/dbraw/zinc/43/99/33/1028439933.db2.gz BPTUQMSVPOUFMS-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000779154447 1028458049 /nfs/dbraw/zinc/45/80/49/1028458049.db2.gz SQIYBTPOSNMPKJ-ICSRJNTNSA-N 1 0 316.489 3.660 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cncc(F)c1)C1CCCC1 ZINC000779157943 1028469482 /nfs/dbraw/zinc/46/94/82/1028469482.db2.gz WHXYJDSMJVWZCX-UHFFFAOYSA-N 1 0 300.377 3.871 20 10 DHCDRO C[C@@H](Cc1ccccc1F)[NH2+]CCCSc1nccs1 ZINC000188036319 1028491642 /nfs/dbraw/zinc/49/16/42/1028491642.db2.gz UNQCENBBNCQMGJ-LBPRGKRZSA-N 1 0 310.463 3.985 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000369596838 1028505743 /nfs/dbraw/zinc/50/57/43/1028505743.db2.gz LDBIVVAXUVZWMU-BFYDXBDKSA-N 1 0 309.837 3.561 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000188783501 1028530118 /nfs/dbraw/zinc/53/01/18/1028530118.db2.gz SUEPTRUDBQWVSA-CABCVRRESA-N 1 0 313.445 3.958 20 10 DHCDRO CCOC1CC(CC[NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC000188774559 1028531055 /nfs/dbraw/zinc/53/10/55/1028531055.db2.gz CEUXBYDYTOPPLG-UHFFFAOYSA-N 1 0 304.478 3.828 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815582693 1028553855 /nfs/dbraw/zinc/55/38/55/1028553855.db2.gz MXOFFTSHSZFCNY-MJGOQNOKSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815601593 1028559885 /nfs/dbraw/zinc/55/98/85/1028559885.db2.gz ZNFZCDKVZGWHCO-HNNXBMFYSA-N 1 0 315.461 3.643 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)c(O)c1 ZINC000815596054 1028561592 /nfs/dbraw/zinc/56/15/92/1028561592.db2.gz JFMRWUVWVWOZBQ-ZDUSSCGKSA-N 1 0 320.820 3.787 20 10 DHCDRO CCOC1CC(CC[NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000189260345 1028563842 /nfs/dbraw/zinc/56/38/42/1028563842.db2.gz DMCRNTGNOOGTOQ-MDCZIUGASA-N 1 0 304.478 3.999 20 10 DHCDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000189260367 1028564365 /nfs/dbraw/zinc/56/43/65/1028564365.db2.gz DMCRNTGNOOGTOQ-LYGPFTKASA-N 1 0 304.478 3.999 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815574519 1028567204 /nfs/dbraw/zinc/56/72/04/1028567204.db2.gz SXCCNQNIXZLEAK-HNNXBMFYSA-N 1 0 314.429 3.880 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnccc1OC)c1cc(Cl)ccc1O ZINC000815629725 1028580421 /nfs/dbraw/zinc/58/04/21/1028580421.db2.gz KZFVKAPZAZGPGZ-CQSZACIVSA-N 1 0 306.793 3.690 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000815648201 1028592939 /nfs/dbraw/zinc/59/29/39/1028592939.db2.gz GWVLIORQWXPJDQ-MAUKXSAKSA-N 1 0 304.478 3.592 20 10 DHCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000815647543 1028593215 /nfs/dbraw/zinc/59/32/15/1028593215.db2.gz NGRGQVKSBVTMTD-ZDUSSCGKSA-N 1 0 312.404 3.587 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000815651485 1028594652 /nfs/dbraw/zinc/59/46/52/1028594652.db2.gz UVGPQVURASQCJO-ZFWWWQNUSA-N 1 0 317.351 3.877 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)c2ccccc21 ZINC000370372979 1028596355 /nfs/dbraw/zinc/59/63/55/1028596355.db2.gz GVFWJDOZOJKXSX-KSSFIOAISA-N 1 0 324.424 3.849 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCCCC2)cc1 ZINC000370662698 1028632482 /nfs/dbraw/zinc/63/24/82/1028632482.db2.gz NNQFTVAVLZOLIR-QAPCUYQASA-N 1 0 324.472 3.608 20 10 DHCDRO c1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000371405241 1028707287 /nfs/dbraw/zinc/70/72/87/1028707287.db2.gz ZSSAQFCSQVWBFQ-UHFFFAOYSA-N 1 0 324.472 3.780 20 10 DHCDRO Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000371678514 1028744501 /nfs/dbraw/zinc/74/45/01/1028744501.db2.gz ALKXNMMPXCOLKQ-UHFFFAOYSA-N 1 0 300.377 3.614 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1O ZINC000748051383 1028768432 /nfs/dbraw/zinc/76/84/32/1028768432.db2.gz SSILZLCTFCTKAD-GOSISDBHSA-N 1 0 313.372 3.853 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267305 1028836495 /nfs/dbraw/zinc/83/64/95/1028836495.db2.gz KCQPKNYSONRRNZ-LJQANCHMSA-N 1 0 324.424 3.860 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597184 1028873619 /nfs/dbraw/zinc/87/36/19/1028873619.db2.gz XUJIVPPEFIDESN-WMZOPIPTSA-N 1 0 313.445 3.994 20 10 DHCDRO Cc1sccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816481541 1028895182 /nfs/dbraw/zinc/89/51/82/1028895182.db2.gz ZUKFHYHRJULVDM-KRWDZBQOSA-N 1 0 317.454 3.943 20 10 DHCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000816491528 1028896375 /nfs/dbraw/zinc/89/63/75/1028896375.db2.gz PDGZPJFROQWRBB-INIZCTEOSA-N 1 0 323.396 3.616 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCCc2cccnc21 ZINC000372765003 1028896607 /nfs/dbraw/zinc/89/66/07/1028896607.db2.gz MCJICYFYHAVRHB-KRWDZBQOSA-N 1 0 312.413 3.695 20 10 DHCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816510660 1028911418 /nfs/dbraw/zinc/91/14/18/1028911418.db2.gz BUMDHOSVQDKHAD-UHFFFAOYSA-N 1 0 321.420 3.582 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000372879771 1028917522 /nfs/dbraw/zinc/91/75/22/1028917522.db2.gz SFCLTKVUSFJIEI-CQSZACIVSA-N 1 0 307.752 3.798 20 10 DHCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1O ZINC000816516265 1028917663 /nfs/dbraw/zinc/91/76/63/1028917663.db2.gz ZKKQPXIABMISGU-UHFFFAOYSA-N 1 0 315.413 3.709 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC[C@@H]1C ZINC000816535330 1028921737 /nfs/dbraw/zinc/92/17/37/1028921737.db2.gz MCXXJVUQKCNKQG-HOTGVXAUSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[NH2+]CCSC(F)(F)F)ccc2ccccc21 ZINC000816535741 1028923359 /nfs/dbraw/zinc/92/33/59/1028923359.db2.gz YKEDGTZFJPQJJF-UHFFFAOYSA-N 1 0 301.333 3.888 20 10 DHCDRO Oc1c(C[NH2+]CCN2Cc3ccccc3C2)ccc2ccccc21 ZINC000816533104 1028923914 /nfs/dbraw/zinc/92/39/14/1028923914.db2.gz JFDFYQABHNXIHA-UHFFFAOYSA-N 1 0 318.420 3.651 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC(C)CC1 ZINC000816544003 1028927778 /nfs/dbraw/zinc/92/77/78/1028927778.db2.gz VIACLELQGFMXRS-MRXNPFEDSA-N 1 0 312.457 3.755 20 10 DHCDRO CO[C@@H](CC[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816588697 1028938913 /nfs/dbraw/zinc/93/89/13/1028938913.db2.gz VZIQCJXGUSGEDD-AWEZNQCLSA-N 1 0 313.319 3.602 20 10 DHCDRO Cc1nc(CC[NH2+]Cc2ccc3ccccc3c2O)sc1C ZINC000816557409 1028941047 /nfs/dbraw/zinc/94/10/47/1028941047.db2.gz OZWISEAEXQNSQF-UHFFFAOYSA-N 1 0 312.438 3.951 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816556662 1028942279 /nfs/dbraw/zinc/94/22/79/1028942279.db2.gz QTBOEAGEKCBNJS-UHFFFAOYSA-N 1 0 310.397 3.873 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCO[C@@H]1C1CC1 ZINC000816570803 1028948630 /nfs/dbraw/zinc/94/86/30/1028948630.db2.gz HUOIAOLMEHJSKF-UXHICEINSA-N 1 0 311.425 3.840 20 10 DHCDRO Oc1c(C[N@@H+]2CCOCC3(CCCC3)C2)ccc2ccccc21 ZINC000816574152 1028952550 /nfs/dbraw/zinc/95/25/50/1028952550.db2.gz YQAULLQMNJTIIM-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1F ZINC000816630676 1028983113 /nfs/dbraw/zinc/98/31/13/1028983113.db2.gz NSQXRRJSODULCN-SFHVURJKSA-N 1 0 320.452 3.551 20 10 DHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CCC2 ZINC000373254867 1028988157 /nfs/dbraw/zinc/98/81/57/1028988157.db2.gz HDUSQRWOYWURQH-QWHCGFSZSA-N 1 0 319.836 3.779 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c1 ZINC000373255487 1028992717 /nfs/dbraw/zinc/99/27/17/1028992717.db2.gz KXWNPAAVFGXDET-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000190474006 1029006220 /nfs/dbraw/zinc/00/62/20/1029006220.db2.gz AWPRYEXCQAXPPZ-UHFFFAOYSA-N 1 0 319.445 3.633 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C)cc1O ZINC000373564699 1029078843 /nfs/dbraw/zinc/07/88/43/1029078843.db2.gz UXZIFVWPLGCNFV-QGZVFWFLSA-N 1 0 313.445 3.517 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000817412161 1029151826 /nfs/dbraw/zinc/15/18/26/1029151826.db2.gz FBFDHWSHHVPUCO-GFCCVEGCSA-N 1 0 317.351 3.955 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000817411688 1029153066 /nfs/dbraw/zinc/15/30/66/1029153066.db2.gz UGLHACJFDMFKCD-LIMHQNJXSA-N 1 0 316.514 3.889 20 10 DHCDRO C[NH+](C)C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000779350729 1029169657 /nfs/dbraw/zinc/16/96/57/1029169657.db2.gz SIUXJKOCWDHKJN-UHFFFAOYSA-N 1 0 323.400 3.880 20 10 DHCDRO C[C@H]1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859643 1029185135 /nfs/dbraw/zinc/18/51/35/1029185135.db2.gz LURLKFMQEXLPTQ-YOEHRIQHSA-N 1 0 301.386 3.555 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1O ZINC000218476887 1029196574 /nfs/dbraw/zinc/19/65/74/1029196574.db2.gz XIOAUVFQNDUHCV-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC23CCOCC3)cc1 ZINC000374283080 1029273681 /nfs/dbraw/zinc/27/36/81/1029273681.db2.gz JCNKICCKLVYYPU-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817937990 1029283619 /nfs/dbraw/zinc/28/36/19/1029283619.db2.gz AXJVOYQKTMBSSQ-UGSOOPFHSA-N 1 0 317.864 3.757 20 10 DHCDRO Cc1ccc([C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000817942819 1029283721 /nfs/dbraw/zinc/28/37/21/1029283721.db2.gz RBPHIVKOXQIFMW-NHCUHLMSSA-N 1 0 323.484 3.802 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817940267 1029285399 /nfs/dbraw/zinc/28/53/99/1029285399.db2.gz FCYIJLZAFHMYEL-SJORKVTESA-N 1 0 303.475 3.555 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817945675 1029286169 /nfs/dbraw/zinc/28/61/69/1029286169.db2.gz JESVIGBHXAYKBZ-YGRLFVJLSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(C2CC2)c1 ZINC000817943831 1029286563 /nfs/dbraw/zinc/28/65/63/1029286563.db2.gz VTWCVFTZOYJZRV-VFNWGFHPSA-N 1 0 323.484 3.981 20 10 DHCDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947154 1029292046 /nfs/dbraw/zinc/29/20/46/1029292046.db2.gz LTLPAFOPDAAPDG-IDKOKCKLSA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947088 1029292138 /nfs/dbraw/zinc/29/21/38/1029292138.db2.gz JPWUPSDCCSTNFF-GARJFASQSA-N 1 0 317.260 3.738 20 10 DHCDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955831 1029293144 /nfs/dbraw/zinc/29/31/44/1029293144.db2.gz ISRAGCFHXWWSOT-HNNXBMFYSA-N 1 0 320.440 3.656 20 10 DHCDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955687 1029294796 /nfs/dbraw/zinc/29/47/96/1029294796.db2.gz FJQGVFOQLUIVBA-LBPRGKRZSA-N 1 0 304.821 3.824 20 10 DHCDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817953971 1029295108 /nfs/dbraw/zinc/29/51/08/1029295108.db2.gz TZFGYRIBVDPCCI-JTQLQIEISA-N 1 0 305.249 3.738 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Br)c1 ZINC000817955413 1029295428 /nfs/dbraw/zinc/29/54/28/1029295428.db2.gz AEQTZMLWBDDRRA-LBPRGKRZSA-N 1 0 319.246 3.925 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000817956167 1029296959 /nfs/dbraw/zinc/29/69/59/1029296959.db2.gz SKYZEEJHFGXBLA-INIZCTEOSA-N 1 0 302.418 3.777 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1Br ZINC000817956116 1029298055 /nfs/dbraw/zinc/29/80/55/1029298055.db2.gz RAEBGTGCUJUCFT-GFCCVEGCSA-N 1 0 319.246 3.925 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961454 1029301025 /nfs/dbraw/zinc/30/10/25/1029301025.db2.gz YXUKQJCZFWAXTB-OUJBWJOFSA-N 1 0 317.260 3.867 20 10 DHCDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817960563 1029301476 /nfs/dbraw/zinc/30/14/76/1029301476.db2.gz ODLFNBSYUAPYEM-SNVBAGLBSA-N 1 0 304.356 3.579 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817965240 1029305837 /nfs/dbraw/zinc/30/58/37/1029305837.db2.gz ROOKGFXHIYXYTP-SNVBAGLBSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971526 1029310192 /nfs/dbraw/zinc/31/01/92/1029310192.db2.gz NQKHHXNIHMFRLG-KWBADKCTSA-N 1 0 317.260 3.880 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817970275 1029310376 /nfs/dbraw/zinc/31/03/76/1029310376.db2.gz QHTXQZVSFWMONS-AEJSXWLSSA-N 1 0 303.233 3.620 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971522 1029310483 /nfs/dbraw/zinc/31/04/83/1029310483.db2.gz NQKHHXNIHMFRLG-BREBYQMCSA-N 1 0 317.260 3.880 20 10 DHCDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2cc(N)ccc2O1 ZINC000817974843 1029310590 /nfs/dbraw/zinc/31/05/90/1029310590.db2.gz GEEIYUJJEVOEQA-JKSUJKDBSA-N 1 0 324.424 3.854 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817979394 1029316774 /nfs/dbraw/zinc/31/67/74/1029316774.db2.gz AQUGCAUMPXWXAI-MNOVXSKESA-N 1 0 317.260 3.882 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC000818230677 1029359329 /nfs/dbraw/zinc/35/93/29/1029359329.db2.gz RIDAZXUTLCRNCA-ZWKOTPCHSA-N 1 0 301.361 3.518 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C2)cc1 ZINC000818341705 1029372574 /nfs/dbraw/zinc/37/25/74/1029372574.db2.gz DIQISQHXTPJWME-HOTGVXAUSA-N 1 0 304.478 3.936 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3CCCC3)C2)cc1 ZINC000818343712 1029374360 /nfs/dbraw/zinc/37/43/60/1029374360.db2.gz DPQOYIRJAFMVGV-HZPDHXFCSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000818344136 1029374374 /nfs/dbraw/zinc/37/43/74/1029374374.db2.gz JPNDDOHBCFHSOX-HOTGVXAUSA-N 1 0 314.429 3.774 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000818342967 1029374388 /nfs/dbraw/zinc/37/43/88/1029374388.db2.gz XERQQCCWXHOVEG-FOIQADDNSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C(C)(C)C)C2)cc1 ZINC000818343123 1029375936 /nfs/dbraw/zinc/37/59/36/1029375936.db2.gz YHYKGGNDCRBQDE-ATZDWAIDSA-N 1 0 316.489 3.936 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818356364 1029382408 /nfs/dbraw/zinc/38/24/08/1029382408.db2.gz NTYYKRFZKPDCLU-IGNZVWTISA-N 1 0 301.361 3.689 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccsc2C(F)(F)F)c1O ZINC000529567703 1029428159 /nfs/dbraw/zinc/42/81/59/1029428159.db2.gz NHCQRDZQPMLRRY-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000530215877 1029786029 /nfs/dbraw/zinc/78/60/29/1029786029.db2.gz JVPFICWXZCAEPV-XPTSAGLGSA-N 1 0 315.244 3.634 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1OC ZINC000865701126 1029981730 /nfs/dbraw/zinc/98/17/30/1029981730.db2.gz HEVLPUDXNLRLRR-LBPRGKRZSA-N 1 0 320.458 3.847 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1C ZINC000865726364 1029991725 /nfs/dbraw/zinc/99/17/25/1029991725.db2.gz MRORMHCRNJCTPF-GOSISDBHSA-N 1 0 303.446 3.838 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1cccc(OC)c1OC ZINC000865758490 1030006287 /nfs/dbraw/zinc/00/62/87/1030006287.db2.gz IMVJATUTNJERKN-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cncn2C(C)C)cc1 ZINC000822443503 1030012191 /nfs/dbraw/zinc/01/21/91/1030012191.db2.gz VZQVFSYRWRJCDA-UHFFFAOYSA-N 1 0 314.477 3.942 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865777605 1030018874 /nfs/dbraw/zinc/01/88/74/1030018874.db2.gz JRVSWWLTKAOTOD-CYBMUJFWSA-N 1 0 309.837 3.650 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CC=C(C)CC3)C2)cc1 ZINC000822494186 1030028855 /nfs/dbraw/zinc/02/88/55/1030028855.db2.gz IQRXFZDHPVGWQM-IRXDYDNUSA-N 1 0 300.446 3.610 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CC(CC(F)F)C2)cc1F ZINC000822520554 1030040717 /nfs/dbraw/zinc/04/07/17/1030040717.db2.gz GIOMZIXRBLNHKA-UHFFFAOYSA-N 1 0 300.368 3.759 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529555 1030045624 /nfs/dbraw/zinc/04/56/24/1030045624.db2.gz FOJNUTTXTWFFFO-QGZVFWFLSA-N 1 0 321.848 3.827 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000822539904 1030057486 /nfs/dbraw/zinc/05/74/86/1030057486.db2.gz PTXPGPMTXVFSNF-BCDXTJNWSA-N 1 0 309.409 3.859 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000865871881 1030068553 /nfs/dbraw/zinc/06/85/53/1030068553.db2.gz MPMHWXPMYDMLKQ-SFHVURJKSA-N 1 0 319.408 3.880 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1CC1CCC1 ZINC000924573264 1030127697 /nfs/dbraw/zinc/12/76/97/1030127697.db2.gz GWHYKWPEDSRGND-OAHLLOKOSA-N 1 0 312.461 3.600 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc(OC)n1 ZINC000925082018 1030267214 /nfs/dbraw/zinc/26/72/14/1030267214.db2.gz SZENHPCOAQZPLP-KRWDZBQOSA-N 1 0 313.445 3.706 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866409554 1030285193 /nfs/dbraw/zinc/28/51/93/1030285193.db2.gz NHXSTRPTXJXZQA-ZBEGNZNMSA-N 1 0 323.795 3.959 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccncc1F)C1CCCC1 ZINC000823447830 1030288547 /nfs/dbraw/zinc/28/85/47/1030288547.db2.gz NTXXWNWOLJLFBY-UHFFFAOYSA-N 1 0 300.377 3.871 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000823439131 1030289262 /nfs/dbraw/zinc/28/92/62/1030289262.db2.gz ZIESZGIKRCNAFG-QGZVFWFLSA-N 1 0 316.470 3.605 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000291038297 1030305001 /nfs/dbraw/zinc/30/50/01/1030305001.db2.gz YXZJLHVQCCMWLH-JKSUJKDBSA-N 1 0 307.821 3.579 20 10 DHCDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866505217 1030329236 /nfs/dbraw/zinc/32/92/36/1030329236.db2.gz VRMTUJORBUQESM-SNVBAGLBSA-N 1 0 316.239 3.620 20 10 DHCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000823736663 1030376005 /nfs/dbraw/zinc/37/60/05/1030376005.db2.gz JWKITWNKVCAALA-UHFFFAOYSA-N 1 0 324.472 3.578 20 10 DHCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000823730622 1030385118 /nfs/dbraw/zinc/38/51/18/1030385118.db2.gz YBDUZKGVLVPGLH-UHFFFAOYSA-N 1 0 310.441 3.676 20 10 DHCDRO C[C@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866611086 1030400660 /nfs/dbraw/zinc/40/06/60/1030400660.db2.gz PFXYEULXSADABP-LBPRGKRZSA-N 1 0 313.376 3.884 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCn3nccc32)c1O ZINC000866634939 1030415769 /nfs/dbraw/zinc/41/57/69/1030415769.db2.gz VYJPJSWFLGFCIY-FZMZJTMJSA-N 1 0 305.809 3.736 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000823872024 1030419057 /nfs/dbraw/zinc/41/90/57/1030419057.db2.gz VLNCLQCHFHARBW-UHFFFAOYSA-N 1 0 319.445 3.761 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121197894 1030428309 /nfs/dbraw/zinc/42/83/09/1030428309.db2.gz HGGFKDKBWRVQNB-QGZVFWFLSA-N 1 0 320.358 3.947 20 10 DHCDRO C[C@H](c1cc(Cl)ccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925754190 1030482065 /nfs/dbraw/zinc/48/20/65/1030482065.db2.gz MEMYABUXKIHMCR-LLVKDONJSA-N 1 0 318.804 3.583 20 10 DHCDRO CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000925761248 1030485250 /nfs/dbraw/zinc/48/52/50/1030485250.db2.gz XSSIXOVPCKBZKG-NSHDSACASA-N 1 0 316.367 3.675 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000925840039 1030517576 /nfs/dbraw/zinc/51/75/76/1030517576.db2.gz JYLVPSWLSRJBFH-BFYDXBDKSA-N 1 0 308.853 3.619 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2O)o1 ZINC000824515907 1030570312 /nfs/dbraw/zinc/57/03/12/1030570312.db2.gz PNWCOPGHWMOTDN-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824555327 1030579565 /nfs/dbraw/zinc/57/95/65/1030579565.db2.gz FIRHCZDXMRPXRE-JTQLQIEISA-N 1 0 310.191 3.941 20 10 DHCDRO Cc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000824549047 1030579728 /nfs/dbraw/zinc/57/97/28/1030579728.db2.gz VQYFAFJEPROIPK-UHFFFAOYSA-N 1 0 322.880 3.804 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000824649607 1030596944 /nfs/dbraw/zinc/59/69/44/1030596944.db2.gz DIDWBVGTAWFTCK-UHFFFAOYSA-N 1 0 309.475 3.802 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000824716438 1030618754 /nfs/dbraw/zinc/61/87/54/1030618754.db2.gz VCCGSLFWPGWNIQ-AQNXPRMDSA-N 1 0 316.489 3.658 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000824716439 1030619865 /nfs/dbraw/zinc/61/98/65/1030619865.db2.gz VCCGSLFWPGWNIQ-VAMGGRTRSA-N 1 0 316.489 3.658 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000824815420 1030648705 /nfs/dbraw/zinc/64/87/05/1030648705.db2.gz OLKQTNRAVDMYQN-YWZLYKJASA-N 1 0 311.425 3.916 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H](C)O ZINC000824921299 1030671261 /nfs/dbraw/zinc/67/12/61/1030671261.db2.gz IOJIYJUYQVCVFF-KSSFIOAISA-N 1 0 318.486 3.634 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000122431359 1030701426 /nfs/dbraw/zinc/70/14/26/1030701426.db2.gz SFZFKYQDIWDHBX-SFHVURJKSA-N 1 0 314.404 3.677 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045505 1030706869 /nfs/dbraw/zinc/70/68/69/1030706869.db2.gz FTPOVPZBPJYWLF-CYBMUJFWSA-N 1 0 307.315 3.895 20 10 DHCDRO Oc1c(Br)cccc1CNc1ccc2c([nH+]1)CCC2 ZINC000825124574 1030731002 /nfs/dbraw/zinc/73/10/02/1030731002.db2.gz SETWBEZXGHNRRN-UHFFFAOYSA-N 1 0 319.202 3.651 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1C ZINC000825156133 1030742394 /nfs/dbraw/zinc/74/23/94/1030742394.db2.gz OTSOINIXUQGLIB-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000825215387 1030747809 /nfs/dbraw/zinc/74/78/09/1030747809.db2.gz OKRVPLCQNXVHFH-KRWDZBQOSA-N 1 0 307.459 3.510 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccncc1 ZINC000825303058 1030768750 /nfs/dbraw/zinc/76/87/50/1030768750.db2.gz CKDICUQPLNBMNL-CQSZACIVSA-N 1 0 321.218 3.791 20 10 DHCDRO OCCC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825338066 1030781436 /nfs/dbraw/zinc/78/14/36/1030781436.db2.gz LAYVCCUMOIMASC-MRXNPFEDSA-N 1 0 311.425 3.654 20 10 DHCDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825366270 1030790234 /nfs/dbraw/zinc/79/02/34/1030790234.db2.gz UUQFXRGKAIEKLB-SNVBAGLBSA-N 1 0 308.809 3.852 20 10 DHCDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000926722961 1030885466 /nfs/dbraw/zinc/88/54/66/1030885466.db2.gz BPDIWGSJXCBJRI-LJQANCHMSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c(O)c1C ZINC000926932405 1031006355 /nfs/dbraw/zinc/00/63/55/1031006355.db2.gz WZTSMHIMXHKWHR-CYBMUJFWSA-N 1 0 316.470 3.848 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107120 1031090133 /nfs/dbraw/zinc/09/01/33/1031090133.db2.gz CSJFKHBMFTYXRC-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000927139353 1031114121 /nfs/dbraw/zinc/11/41/21/1031114121.db2.gz KTZSYRPNZUFGAH-ZDUSSCGKSA-N 1 0 301.434 3.852 20 10 DHCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000123494825 1031144089 /nfs/dbraw/zinc/14/40/89/1031144089.db2.gz STECODJPENNJAL-QFBILLFUSA-N 1 0 304.478 3.735 20 10 DHCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000123495329 1031144458 /nfs/dbraw/zinc/14/44/58/1031144458.db2.gz STECODJPENNJAL-VQIMIIECSA-N 1 0 304.478 3.735 20 10 DHCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123531000 1031167737 /nfs/dbraw/zinc/16/77/37/1031167737.db2.gz PYINBILBYBTRJV-YJBOKZPZSA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123864157 1031380558 /nfs/dbraw/zinc/38/05/58/1031380558.db2.gz VFEUBIDLPOHTIJ-OXQOHEQNSA-N 1 0 311.473 3.706 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CCc3ccccc3N1)CC2 ZINC000844923381 1031400880 /nfs/dbraw/zinc/40/08/80/1031400880.db2.gz FUOXSAXWVDOHCP-SJLPKXTDSA-N 1 0 308.425 3.786 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(O)c1F ZINC000872023462 1031407501 /nfs/dbraw/zinc/40/75/01/1031407501.db2.gz SCOAYPNNHGWKQS-AWEZNQCLSA-N 1 0 314.404 3.982 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872036751 1031422045 /nfs/dbraw/zinc/42/20/45/1031422045.db2.gz YEOQTDKMZYKOGZ-ZDUSSCGKSA-N 1 0 302.393 3.757 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000360505452 1031451288 /nfs/dbraw/zinc/45/12/88/1031451288.db2.gz XNFYWRSCOOXNGW-UHFFFAOYSA-N 1 0 311.425 3.936 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2[nH]c(C)nc2C)cc1 ZINC000929185229 1031459280 /nfs/dbraw/zinc/45/92/80/1031459280.db2.gz QTNOGJHDOWKBAH-UHFFFAOYSA-N 1 0 300.450 3.505 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872078707 1031473660 /nfs/dbraw/zinc/47/36/60/1031473660.db2.gz DNGQTECSALJBKT-DOTOQJQBSA-N 1 0 304.478 3.539 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872078709 1031474229 /nfs/dbraw/zinc/47/42/29/1031474229.db2.gz DNGQTECSALJBKT-RDJZCZTQSA-N 1 0 304.478 3.539 20 10 DHCDRO CC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1O ZINC000872110795 1031504198 /nfs/dbraw/zinc/50/41/98/1031504198.db2.gz QLLAMWSEQSERJO-SNVBAGLBSA-N 1 0 313.266 3.605 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1C(F)(F)F ZINC001144391715 1031514657 /nfs/dbraw/zinc/51/46/57/1031514657.db2.gz WPNNEGXTYXFXIX-UHFFFAOYSA-N 1 0 311.303 3.749 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccccc1O ZINC000360698639 1031525968 /nfs/dbraw/zinc/52/59/68/1031525968.db2.gz LRKDVFWHTGQTNA-CQSZACIVSA-N 1 0 307.397 3.644 20 10 DHCDRO FC(F)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000872254910 1031562189 /nfs/dbraw/zinc/56/21/89/1031562189.db2.gz MXYABISDLZHCKE-QGZVFWFLSA-N 1 0 324.415 3.533 20 10 DHCDRO CCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000124085440 1031607087 /nfs/dbraw/zinc/60/70/87/1031607087.db2.gz DQBPJFRLRLZDIQ-UHFFFAOYSA-N 1 0 313.445 3.944 20 10 DHCDRO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000293797955 1031631127 /nfs/dbraw/zinc/63/11/27/1031631127.db2.gz UTHRDEZMJSXPGR-NSHDSACASA-N 1 0 304.390 3.501 20 10 DHCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000872661604 1031639824 /nfs/dbraw/zinc/63/98/24/1031639824.db2.gz XTOPVYHGFDDXQA-UHFFFAOYSA-N 1 0 324.424 3.526 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000872815974 1031666965 /nfs/dbraw/zinc/66/69/65/1031666965.db2.gz FFTSONKLSVZAAV-SWLSCSKDSA-N 1 0 317.351 3.551 20 10 DHCDRO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825634772 1031674014 /nfs/dbraw/zinc/67/40/14/1031674014.db2.gz REDHWIKTESFWOL-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cnn(CC)c2)cc1C ZINC000873130089 1031719994 /nfs/dbraw/zinc/71/99/94/1031719994.db2.gz YCNBHQUFHCDTFC-HNNXBMFYSA-N 1 0 301.434 3.851 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c1O ZINC000873165108 1031732783 /nfs/dbraw/zinc/73/27/83/1031732783.db2.gz PHCGBEQQEWAAKR-UHFFFAOYSA-N 1 0 315.413 3.868 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873239652 1031770049 /nfs/dbraw/zinc/77/00/49/1031770049.db2.gz AAGOFHAIEWRFTQ-GMTAPVOTSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000845970931 1031787884 /nfs/dbraw/zinc/78/78/84/1031787884.db2.gz FVUHLDIZTSWOBV-OLZOCXBDSA-N 1 0 322.408 3.700 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)c1 ZINC000845971399 1031788711 /nfs/dbraw/zinc/78/87/11/1031788711.db2.gz JRVIHQAVODSMAZ-CYBMUJFWSA-N 1 0 301.386 3.574 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000845972835 1031788825 /nfs/dbraw/zinc/78/88/25/1031788825.db2.gz UXWLLAATFMTSDL-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2O ZINC000873289197 1031789344 /nfs/dbraw/zinc/78/93/44/1031789344.db2.gz QVAUVYJIHLIQQZ-XPTSAGLGSA-N 1 0 304.340 3.591 20 10 DHCDRO Cc1c(C[N@@H+](CCCCCO)C(C)C)c2ccccc2n1C ZINC001138260219 1031805977 /nfs/dbraw/zinc/80/59/77/1031805977.db2.gz ZULPVOWDXSUVAE-UHFFFAOYSA-N 1 0 302.462 3.860 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)c2cc(F)ccc2O1 ZINC000846053310 1031845114 /nfs/dbraw/zinc/84/51/14/1031845114.db2.gz UPSDCFINADKZIE-HNNXBMFYSA-N 1 0 301.361 3.923 20 10 DHCDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148691 1031882514 /nfs/dbraw/zinc/88/25/14/1031882514.db2.gz ANMZUQSCQABJAF-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1c(C)nn(C)c1C ZINC000846149514 1031883710 /nfs/dbraw/zinc/88/37/10/1031883710.db2.gz ZSAODDHWJILGIR-ABAIWWIYSA-N 1 0 317.433 3.553 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1O ZINC000846150003 1031883737 /nfs/dbraw/zinc/88/37/37/1031883737.db2.gz VZXDVWPBNQXUSP-MEDUHNTESA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1O ZINC000846147380 1031883942 /nfs/dbraw/zinc/88/39/42/1031883942.db2.gz ULOSGWYCWSTLBQ-IYOUNJFTSA-N 1 0 321.461 3.893 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)c1O ZINC000846151521 1031884805 /nfs/dbraw/zinc/88/48/05/1031884805.db2.gz ZLUDQEGPVUHGKV-YOEHRIQHSA-N 1 0 314.429 3.886 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1Cl ZINC000846153562 1031886206 /nfs/dbraw/zinc/88/62/06/1031886206.db2.gz JZPYWJKBUBJDNZ-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157771 1031889164 /nfs/dbraw/zinc/88/91/64/1031889164.db2.gz FWTSWYWDJPRAHE-OLZOCXBDSA-N 1 0 300.402 3.770 20 10 DHCDRO CCSc1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)ccn1 ZINC000846163506 1031890432 /nfs/dbraw/zinc/89/04/32/1031890432.db2.gz IHNZOKBBLOYSHI-LBPRGKRZSA-N 1 0 318.442 3.759 20 10 DHCDRO COc1cccc([C@@H](C)Nc2ccc(C[NH+](C)C)c(F)c2)c1O ZINC000846162161 1031891977 /nfs/dbraw/zinc/89/19/77/1031891977.db2.gz IHLLQMRXQAYOIS-GFCCVEGCSA-N 1 0 318.392 3.775 20 10 DHCDRO CC(C)(C)c1coc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000897944187 1031892593 /nfs/dbraw/zinc/89/25/93/1031892593.db2.gz KWCLRRUXALHENH-UHFFFAOYSA-N 1 0 312.772 3.760 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3nc(C)sc32)c1O ZINC000846165105 1031894513 /nfs/dbraw/zinc/89/45/13/1031894513.db2.gz MUTOECRYFDTABV-GWCFXTLKSA-N 1 0 318.442 3.894 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)ccc1C ZINC000846141999 1031900536 /nfs/dbraw/zinc/90/05/36/1031900536.db2.gz PYDAWALLWBNVNG-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OC)c1O ZINC000846141488 1031902384 /nfs/dbraw/zinc/90/23/84/1031902384.db2.gz KDEWGBSPCDYBRH-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)c1O ZINC000846141321 1031903112 /nfs/dbraw/zinc/90/31/12/1031903112.db2.gz MSFNLZHRZRZPKQ-PBHICJAKSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(C)cc2C)c1O ZINC000846143429 1031905989 /nfs/dbraw/zinc/90/59/89/1031905989.db2.gz IIKDARXRXAJZGY-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)c1O ZINC000846145309 1031906821 /nfs/dbraw/zinc/90/68/21/1031906821.db2.gz MXIARBGELKPYBI-GFCCVEGCSA-N 1 0 320.458 3.874 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCc2ccc(C)o2)c1O ZINC000846146106 1031909685 /nfs/dbraw/zinc/90/96/85/1031909685.db2.gz NAOJBHGWUQPYFS-OCCSQVGLSA-N 1 0 303.402 3.974 20 10 DHCDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846207568 1031911069 /nfs/dbraw/zinc/91/10/69/1031911069.db2.gz PGGKSWFUIZWPBY-CQSZACIVSA-N 1 0 318.436 3.646 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1C ZINC000846183487 1031917030 /nfs/dbraw/zinc/91/70/30/1031917030.db2.gz OTZXEBRGIZBYFR-PMUMKWKESA-N 1 0 317.404 3.921 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187024 1031919005 /nfs/dbraw/zinc/91/90/05/1031919005.db2.gz GXSLZFYZITVOGZ-KUHUBIRLSA-N 1 0 302.462 3.608 20 10 DHCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000294529968 1032046878 /nfs/dbraw/zinc/04/68/78/1032046878.db2.gz GZRXIDMQVQSUNM-UHFFFAOYSA-N 1 0 316.470 3.525 20 10 DHCDRO Cc1cccc(O)c1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000877487651 1033318965 /nfs/dbraw/zinc/31/89/65/1033318965.db2.gz CGQGGZZWECVSPV-KRWDZBQOSA-N 1 0 312.413 3.698 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(O)c1 ZINC000877507954 1033330248 /nfs/dbraw/zinc/33/02/48/1033330248.db2.gz SXJUMAKPGMAVPD-UONOGXRCSA-N 1 0 300.229 3.716 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(Cl)c1 ZINC000877537073 1033343835 /nfs/dbraw/zinc/34/38/35/1033343835.db2.gz GYBJKFRMMIFPMQ-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c(O)c1 ZINC000877549152 1033349618 /nfs/dbraw/zinc/34/96/18/1033349618.db2.gz HTLQYRGCEKMLRG-LJQANCHMSA-N 1 0 311.425 3.694 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672366 1033405551 /nfs/dbraw/zinc/40/55/51/1033405551.db2.gz CPRHVIVTDVQTRU-IAGOWNOFSA-N 1 0 317.816 3.744 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000126645987 1033410965 /nfs/dbraw/zinc/41/09/65/1033410965.db2.gz QSGZDLLCMTWNNB-OAHLLOKOSA-N 1 0 310.441 3.928 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1noc2ccc(F)cc12 ZINC000877709637 1033421693 /nfs/dbraw/zinc/42/16/93/1033421693.db2.gz DZALKHJUXPDLRP-UHFFFAOYSA-N 1 0 313.376 3.631 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000126692241 1033431161 /nfs/dbraw/zinc/43/11/61/1033431161.db2.gz LPEAAIIRFJHFMD-OAHLLOKOSA-N 1 0 310.441 3.928 20 10 DHCDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877755765 1033431766 /nfs/dbraw/zinc/43/17/66/1033431766.db2.gz MDMAROUZCXAZDK-HUUCEWRRSA-N 1 0 315.413 3.657 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1O ZINC000877756596 1033434652 /nfs/dbraw/zinc/43/46/52/1033434652.db2.gz WTABGAKAPDQLAN-GFCCVEGCSA-N 1 0 307.340 3.887 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000877756448 1033435134 /nfs/dbraw/zinc/43/51/34/1033435134.db2.gz JBRFVOHQYQSYEE-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877811962 1033460735 /nfs/dbraw/zinc/46/07/35/1033460735.db2.gz DFXNRYFWRMYCPD-AWEZNQCLSA-N 1 0 303.324 3.565 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000877812330 1033462590 /nfs/dbraw/zinc/46/25/90/1033462590.db2.gz MXPPLQCTRNSIFA-AWEZNQCLSA-N 1 0 303.324 3.565 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000877828046 1033476040 /nfs/dbraw/zinc/47/60/40/1033476040.db2.gz DOKDYZZJANCYSO-VIFPVBQESA-N 1 0 314.282 3.796 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000877827940 1033476296 /nfs/dbraw/zinc/47/62/96/1033476296.db2.gz AMWYPSJMUDGMEI-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172939433 1033477857 /nfs/dbraw/zinc/47/78/57/1033477857.db2.gz POBZUQGDHVIDAI-RTBURBONSA-N 1 0 302.462 3.676 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1O ZINC000927070995 1033522680 /nfs/dbraw/zinc/52/26/80/1033522680.db2.gz RMIAXUITUWNIBT-WMZOPIPTSA-N 1 0 301.434 3.872 20 10 DHCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173138777 1033566454 /nfs/dbraw/zinc/56/64/54/1033566454.db2.gz DGAJZQDUSOLIGK-HNNXBMFYSA-N 1 0 310.422 3.649 20 10 DHCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173339624 1033694864 /nfs/dbraw/zinc/69/48/64/1033694864.db2.gz PRZUWKCXVQOEQH-CRAIPNDOSA-N 1 0 319.445 3.614 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CCCCC(=O)OC ZINC001173459628 1033754238 /nfs/dbraw/zinc/75/42/38/1033754238.db2.gz DGOCQXLDVXSEKX-INIZCTEOSA-N 1 0 320.477 3.696 20 10 DHCDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001173634854 1033801669 /nfs/dbraw/zinc/80/16/69/1033801669.db2.gz HRBFCMWWECXZQV-YQQAZPJKSA-N 1 0 318.461 3.525 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1 ZINC000862275327 1033807596 /nfs/dbraw/zinc/80/75/96/1033807596.db2.gz QWTBREFGUIMMKY-UONOGXRCSA-N 1 0 324.415 3.608 20 10 DHCDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862478692 1033862504 /nfs/dbraw/zinc/86/25/04/1033862504.db2.gz MHVHGJHDCCQECC-OAHLLOKOSA-N 1 0 321.461 3.938 20 10 DHCDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000862529299 1033873693 /nfs/dbraw/zinc/87/36/93/1033873693.db2.gz RJEYUTMNMWJGGG-PZJWPPBQSA-N 1 0 323.436 3.654 20 10 DHCDRO COc1cccc(C[NH2+]CCc2c[nH]c3c2cccc3C)c1O ZINC000174448490 1033931284 /nfs/dbraw/zinc/93/12/84/1033931284.db2.gz ZCZAKGNGFJDUDH-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000927124932 1033959751 /nfs/dbraw/zinc/95/97/51/1033959751.db2.gz OOCWSONQNXCXRL-KGLIPLIRSA-N 1 0 305.418 3.543 20 10 DHCDRO COC1CCN(c2ccc(C[NH+]3CCC(C)(F)CC3)cc2)CC1 ZINC000879383106 1033999427 /nfs/dbraw/zinc/99/94/27/1033999427.db2.gz AXYGJRWRAWUQEW-UHFFFAOYSA-N 1 0 320.452 3.626 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)cc1Br ZINC000127896608 1034067405 /nfs/dbraw/zinc/06/74/05/1034067405.db2.gz KDNQPFJJBYTXRX-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(C)cc1 ZINC000879650225 1034074247 /nfs/dbraw/zinc/07/42/47/1034074247.db2.gz QJHDIRWPYGSJEC-WMLDXEAASA-N 1 0 312.413 3.769 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000128233166 1034220805 /nfs/dbraw/zinc/22/08/05/1034220805.db2.gz DOYDKCJLKMUCBH-LPHOPBHVSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000178241961 1034223416 /nfs/dbraw/zinc/22/34/16/1034223416.db2.gz HZPDSWGWQCPZSL-ZDUSSCGKSA-N 1 0 320.433 3.575 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(N(C)C)cc1 ZINC000178701564 1034257173 /nfs/dbraw/zinc/25/71/73/1034257173.db2.gz PYCLSIKHKZGWLN-DNVCBOLYSA-N 1 0 314.477 3.635 20 10 DHCDRO CCOC(=O)c1ccc(C[N@H+](CC)Cc2ccccc2O)cc1 ZINC001142599395 1034300394 /nfs/dbraw/zinc/30/03/94/1034300394.db2.gz HXDHHVJOJFMRQR-UHFFFAOYSA-N 1 0 313.397 3.591 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000179652154 1034323927 /nfs/dbraw/zinc/32/39/27/1034323927.db2.gz NCMVHKFYGFSAAD-UHFFFAOYSA-N 1 0 309.409 3.796 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794671384 1034324395 /nfs/dbraw/zinc/32/43/95/1034324395.db2.gz GFDDCZPADPBUIC-LJQANCHMSA-N 1 0 305.462 3.735 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000183331170 1034375510 /nfs/dbraw/zinc/37/55/10/1034375510.db2.gz PXRNJFJTXHYEOH-NVXWUHKLSA-N 1 0 305.805 3.820 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000183379200 1034380371 /nfs/dbraw/zinc/38/03/71/1034380371.db2.gz IPIVPVAPQKCYLI-DOTOQJQBSA-N 1 0 314.429 3.863 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000183379162 1034380687 /nfs/dbraw/zinc/38/06/87/1034380687.db2.gz IPIVPVAPQKCYLI-RDJZCZTQSA-N 1 0 314.429 3.863 20 10 DHCDRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1O)O[C@H](C)C2 ZINC000183406943 1034383434 /nfs/dbraw/zinc/38/34/34/1034383434.db2.gz BYPVVUVEMDBTGV-CHWSQXEVSA-N 1 0 313.397 3.575 20 10 DHCDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183516986 1034393293 /nfs/dbraw/zinc/39/32/93/1034393293.db2.gz XPWIOXBGPSKREO-LIRRHRJNSA-N 1 0 315.413 3.564 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000183625119 1034404487 /nfs/dbraw/zinc/40/44/87/1034404487.db2.gz FHFQPYNXWPZCRA-QAPCUYQASA-N 1 0 313.441 3.845 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000183645298 1034408112 /nfs/dbraw/zinc/40/81/12/1034408112.db2.gz ZXMKSIFNKLWKRO-SDDDUWNISA-N 1 0 319.351 3.851 20 10 DHCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183679069 1034411533 /nfs/dbraw/zinc/41/15/33/1034411533.db2.gz JAULPZIXBVQXNG-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO CCOc1ccc(N2CC[NH+](Cc3cc(C)cs3)CC2)cc1 ZINC001137160100 1034451702 /nfs/dbraw/zinc/45/17/02/1034451702.db2.gz RAQHPXLMZSCFFM-UHFFFAOYSA-N 1 0 316.470 3.777 20 10 DHCDRO Cc1c[nH+]ccc1Nc1cc(Br)cc(Cl)c1O ZINC001174538186 1034452597 /nfs/dbraw/zinc/45/25/97/1034452597.db2.gz DULKCXGNMIKMGH-UHFFFAOYSA-N 1 0 313.582 3.677 20 10 DHCDRO Cc1c[nH+]ccc1Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC001174539167 1034454443 /nfs/dbraw/zinc/45/44/43/1034454443.db2.gz VWKKKSVTBNDRGJ-UHFFFAOYSA-N 1 0 302.683 3.933 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1O ZINC000794801767 1034472458 /nfs/dbraw/zinc/47/24/58/1034472458.db2.gz KZWKEFBJAYDQAD-SJLPKXTDSA-N 1 0 311.429 3.917 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000184872153 1034505997 /nfs/dbraw/zinc/50/59/97/1034505997.db2.gz OELTWLMDHFILHK-CYBMUJFWSA-N 1 0 307.825 3.600 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(C)cc1O ZINC000794812731 1034519327 /nfs/dbraw/zinc/51/93/27/1034519327.db2.gz FHUGWXIHZMRMQN-IEBWSBKVSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1O ZINC000794813447 1034520944 /nfs/dbraw/zinc/52/09/44/1034520944.db2.gz DSFREBNJLXUIQD-RTBURBONSA-N 1 0 310.441 3.928 20 10 DHCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185060002 1034525591 /nfs/dbraw/zinc/52/55/91/1034525591.db2.gz FUKVYYGBNQWMTE-QWRGUYRKSA-N 1 0 317.260 3.691 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000185099603 1034527036 /nfs/dbraw/zinc/52/70/36/1034527036.db2.gz SYDNWBZIXBVFSF-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815853 1034527585 /nfs/dbraw/zinc/52/75/85/1034527585.db2.gz PTMFGOAUFUWNCX-OCCSQVGLSA-N 1 0 305.340 3.709 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000185085579 1034528404 /nfs/dbraw/zinc/52/84/04/1034528404.db2.gz VSEMKDOYQKWJDI-CYBMUJFWSA-N 1 0 317.408 3.623 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(C)cc1O ZINC000794811639 1034534017 /nfs/dbraw/zinc/53/40/17/1034534017.db2.gz STTBXSRNQSJVCS-SJORKVTESA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000185208116 1034536393 /nfs/dbraw/zinc/53/63/93/1034536393.db2.gz CSYZRRCDSUXMPI-KRWDZBQOSA-N 1 0 311.429 3.628 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccc(C)cc1O ZINC000794817612 1034539366 /nfs/dbraw/zinc/53/93/66/1034539366.db2.gz UJCGWNJVZIMIOS-SJORKVTESA-N 1 0 315.461 3.915 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000185323387 1034541471 /nfs/dbraw/zinc/54/14/71/1034541471.db2.gz SYIDFCIWZRHZDQ-AWEZNQCLSA-N 1 0 313.397 3.713 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(C)cc1O ZINC000794819253 1034541866 /nfs/dbraw/zinc/54/18/66/1034541866.db2.gz VYGQVXQESWGCCY-QGZVFWFLSA-N 1 0 311.429 3.651 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185349914 1034543750 /nfs/dbraw/zinc/54/37/50/1034543750.db2.gz SUUUQSWPXSMBDV-CHWSQXEVSA-N 1 0 313.445 3.725 20 10 DHCDRO Cc1cccc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000794828390 1034547418 /nfs/dbraw/zinc/54/74/18/1034547418.db2.gz OGVOIMAGSKTLOM-HNNXBMFYSA-N 1 0 310.441 3.868 20 10 DHCDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1O)OC(C)C ZINC000185722165 1034566855 /nfs/dbraw/zinc/56/68/55/1034566855.db2.gz MYRDVCCUOIGNCW-LJQANCHMSA-N 1 0 315.413 3.657 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000185738392 1034570126 /nfs/dbraw/zinc/57/01/26/1034570126.db2.gz RBVUXWGGPDDXAR-SOLBZPMBSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1O ZINC000186010668 1034594036 /nfs/dbraw/zinc/59/40/36/1034594036.db2.gz ZOJGSVCXVXHYAS-BMIGLBTASA-N 1 0 305.324 3.845 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000186129254 1034602073 /nfs/dbraw/zinc/60/20/73/1034602073.db2.gz HRANTTVWOGNSJJ-ZIAGYGMSSA-N 1 0 305.418 3.543 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186176762 1034607426 /nfs/dbraw/zinc/60/74/26/1034607426.db2.gz RMTHZBZKYANLGT-NSHDSACASA-N 1 0 321.852 3.755 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc2ccccc2c1O ZINC000186179403 1034607695 /nfs/dbraw/zinc/60/76/95/1034607695.db2.gz ORUGIDBFAMPRRH-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186506991 1034639265 /nfs/dbraw/zinc/63/92/65/1034639265.db2.gz WZVJBLSZVXWWED-YPZLONQISA-N 1 0 302.462 3.655 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(C(F)F)nc3)ccc21 ZINC000865437479 1034646274 /nfs/dbraw/zinc/64/62/74/1034646274.db2.gz NVBJTZKKIKEAFW-UHFFFAOYSA-N 1 0 317.383 3.691 20 10 DHCDRO Cc1nnc(C[N@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000773428492 1034712826 /nfs/dbraw/zinc/71/28/26/1034712826.db2.gz ZISKFSLSBFQYTO-UHFFFAOYSA-N 1 0 317.458 3.887 20 10 DHCDRO C=Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000193578067 1034847595 /nfs/dbraw/zinc/84/75/95/1034847595.db2.gz UODSOBABPBDUCQ-UHFFFAOYSA-N 1 0 310.445 3.606 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)c(Br)c1 ZINC000159543232 1035067956 /nfs/dbraw/zinc/06/79/56/1035067956.db2.gz CLOYIIIONMZYRZ-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO Nc1ccc(OCCCOc2ccc(Nc3[nH]cc[nH+]3)cc2)cc1 ZINC001176084093 1035193080 /nfs/dbraw/zinc/19/30/80/1035193080.db2.gz IWSBAXMXITUIEI-UHFFFAOYSA-N 1 0 324.384 3.583 20 10 DHCDRO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483409 1035372509 /nfs/dbraw/zinc/37/25/09/1035372509.db2.gz QSUXQYLIJAWVKW-HKUYNNGSSA-N 1 0 316.489 3.829 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC ZINC001177542135 1035379563 /nfs/dbraw/zinc/37/95/63/1035379563.db2.gz JTPDYFOFVWKNRH-UHFFFAOYSA-N 1 0 321.367 3.800 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc2cccnc12 ZINC001177587090 1035382808 /nfs/dbraw/zinc/38/28/08/1035382808.db2.gz WVRRFBRVDHVONB-UHFFFAOYSA-N 1 0 304.393 3.768 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(F)cc2F)cc1 ZINC001177840017 1035395561 /nfs/dbraw/zinc/39/55/61/1035395561.db2.gz HTACNAVKSSZXCX-ONEGZZNKSA-N 1 0 316.395 3.876 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](CO)CCC(C)(C)C)ccc1OC ZINC001178571049 1035437914 /nfs/dbraw/zinc/43/79/14/1035437914.db2.gz GNRMJQSPZOZZLY-KRWDZBQOSA-N 1 0 323.477 3.509 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nsc2ccccc12 ZINC001179248672 1035471307 /nfs/dbraw/zinc/47/13/07/1035471307.db2.gz VCHDMUKOUICXQV-UHFFFAOYSA-N 1 0 318.829 3.988 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000773809998 1035471938 /nfs/dbraw/zinc/47/19/38/1035471938.db2.gz HBTGHGDHBDPZMF-HXUWFJFHSA-N 1 0 312.457 3.746 20 10 DHCDRO CC(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001179645162 1035486421 /nfs/dbraw/zinc/48/64/21/1035486421.db2.gz JDXMCJRDEAEQNY-UHFFFAOYSA-N 1 0 324.472 3.569 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOC2(CCC2)C1 ZINC001179621165 1035488349 /nfs/dbraw/zinc/48/83/49/1035488349.db2.gz LECQUAVFECQVOT-IBGZPJMESA-N 1 0 315.457 3.841 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000773834827 1035516188 /nfs/dbraw/zinc/51/61/88/1035516188.db2.gz UWEBRGAZIYMYTC-CQSZACIVSA-N 1 0 313.401 3.902 20 10 DHCDRO CO[C@]1(C)C[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001179958190 1035558371 /nfs/dbraw/zinc/55/83/71/1035558371.db2.gz WRPUVZPIROPCEN-YDFHMDALSA-N 1 0 316.489 3.901 20 10 DHCDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC000775572202 1035567568 /nfs/dbraw/zinc/56/75/68/1035567568.db2.gz PEWWEGJXGLHEOD-UHFFFAOYSA-N 1 0 309.457 3.929 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC001180149092 1035610282 /nfs/dbraw/zinc/61/02/82/1035610282.db2.gz UOAQEJJUAQKDJT-UZLBHIALSA-N 1 0 311.425 3.971 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](CC)C(=O)OCC ZINC001193364507 1035619929 /nfs/dbraw/zinc/61/99/29/1035619929.db2.gz LZFXPQZKFIXTPV-KRWDZBQOSA-N 1 0 320.477 3.615 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](CC)C(=O)OCC ZINC001193364511 1035620631 /nfs/dbraw/zinc/62/06/31/1035620631.db2.gz LZFXPQZKFIXTPV-QGZVFWFLSA-N 1 0 320.477 3.615 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000773851154 1035649875 /nfs/dbraw/zinc/64/98/75/1035649875.db2.gz VHMCMZJENWLPAI-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174643250 1035685384 /nfs/dbraw/zinc/68/53/84/1035685384.db2.gz XDVKBNMWVHDALE-UHFFFAOYSA-N 1 0 319.445 3.613 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CCCCCC(=O)OC(C)(C)C)c1 ZINC000174643918 1035691261 /nfs/dbraw/zinc/69/12/61/1035691261.db2.gz FOJGJZMZDOQXOM-UHFFFAOYSA-N 1 0 307.434 3.692 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@@H](C)CC ZINC001193840262 1035736101 /nfs/dbraw/zinc/73/61/01/1035736101.db2.gz YAEAEGWPTSHGPC-YOEHRIQHSA-N 1 0 307.434 3.582 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001181085939 1035825423 /nfs/dbraw/zinc/82/54/23/1035825423.db2.gz HZRSXKXDCWTJHU-WMZOPIPTSA-N 1 0 301.361 3.541 20 10 DHCDRO Oc1cc(Br)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001181611540 1035952877 /nfs/dbraw/zinc/95/28/77/1035952877.db2.gz OOQRPGMLGHAWOD-UHFFFAOYSA-N 1 0 310.235 3.921 20 10 DHCDRO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160137 1036206483 /nfs/dbraw/zinc/20/64/83/1036206483.db2.gz RYADJYOZKZCKBC-SNVBAGLBSA-N 1 0 305.249 3.691 20 10 DHCDRO CCc1cnc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835043356 1036231444 /nfs/dbraw/zinc/23/14/44/1036231444.db2.gz PNTMKAIFGYYHEI-AATRIKPKSA-N 1 0 301.459 3.575 20 10 DHCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001182424077 1036276745 /nfs/dbraw/zinc/27/67/45/1036276745.db2.gz NOMHOMPZKAIFQI-WMZOPIPTSA-N 1 0 306.494 3.787 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000774400150 1036318424 /nfs/dbraw/zinc/31/84/24/1036318424.db2.gz UENHCPWMIDNVKR-FSBGKCOPSA-N 1 0 319.351 3.542 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000775680407 1036410176 /nfs/dbraw/zinc/41/01/76/1036410176.db2.gz BYHJYVKWAPAOKH-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC001182854038 1036467366 /nfs/dbraw/zinc/46/73/66/1036467366.db2.gz FRDIFYDPTXWGEG-BZSNNMDCSA-N 1 0 314.473 3.832 20 10 DHCDRO Cc1ccc(F)cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC001197004866 1036666124 /nfs/dbraw/zinc/66/61/24/1036666124.db2.gz WCRNXHHOMVZSKL-CYBMUJFWSA-N 1 0 316.376 3.519 20 10 DHCDRO C[C@@]1([NH2+]Cc2ccc(Cl)cc2O)CCOc2ccccc21 ZINC001183958237 1036718044 /nfs/dbraw/zinc/71/80/44/1036718044.db2.gz KLCPWPMYZXFGDY-QGZVFWFLSA-N 1 0 303.789 3.833 20 10 DHCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775764961 1036721878 /nfs/dbraw/zinc/72/18/78/1036721878.db2.gz MHFSQBBFRWMFTB-INIZCTEOSA-N 1 0 317.433 3.815 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000155755630 1036850910 /nfs/dbraw/zinc/85/09/10/1036850910.db2.gz HPQXFFQGPCHVDF-UYAOXDASSA-N 1 0 311.425 3.657 20 10 DHCDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832739 1036986747 /nfs/dbraw/zinc/98/67/47/1036986747.db2.gz BBYLANHWBSLGRA-INIZCTEOSA-N 1 0 310.441 3.985 20 10 DHCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833700 1036989231 /nfs/dbraw/zinc/98/92/31/1036989231.db2.gz KNOBMLLGHVVJKA-IFXJQAMLSA-N 1 0 316.420 3.584 20 10 DHCDRO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834273 1036996887 /nfs/dbraw/zinc/99/68/87/1036996887.db2.gz QDWABUDJMYTSLC-QGZVFWFLSA-N 1 0 314.477 3.779 20 10 DHCDRO Cc1nccn1CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000762925585 1037073373 /nfs/dbraw/zinc/07/33/73/1037073373.db2.gz IJOOORYIHWXVOX-UHFFFAOYSA-N 1 0 313.445 3.732 20 10 DHCDRO CCOCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001199052250 1037187283 /nfs/dbraw/zinc/18/72/83/1037187283.db2.gz FDOSKZAVJFYBJC-UHFFFAOYSA-N 1 0 324.468 3.766 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCCCC2)cc1F ZINC001199219820 1037221130 /nfs/dbraw/zinc/22/11/30/1037221130.db2.gz PWVSNQYHPABPRY-UHFFFAOYSA-N 1 0 321.484 3.638 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCOc2cccc(F)c2)c(Cl)c1 ZINC001199564113 1037281518 /nfs/dbraw/zinc/28/15/18/1037281518.db2.gz NSWBIQPQHFWBJC-UHFFFAOYSA-N 1 0 309.768 3.662 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000776021240 1037334341 /nfs/dbraw/zinc/33/43/41/1037334341.db2.gz YTFJSPXITRRDAK-UHFFFAOYSA-N 1 0 303.352 3.925 20 10 DHCDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001199830912 1037349341 /nfs/dbraw/zinc/34/93/41/1037349341.db2.gz ULEIPXPQUQDXGH-UHFFFAOYSA-N 1 0 324.468 3.930 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000761573035 1037377093 /nfs/dbraw/zinc/37/70/93/1037377093.db2.gz QWDHICOXBDQUDZ-UHFFFAOYSA-N 1 0 305.425 3.821 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000761573059 1037379487 /nfs/dbraw/zinc/37/94/87/1037379487.db2.gz RRHKULFRSLEZQF-QGZVFWFLSA-N 1 0 300.471 3.732 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000324180186 1037402218 /nfs/dbraw/zinc/40/22/18/1037402218.db2.gz HOHHASCLGIDJCZ-FQEVSTJZSA-N 1 0 324.468 3.794 20 10 DHCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152871863 1037626699 /nfs/dbraw/zinc/62/66/99/1037626699.db2.gz NMBQHEKNZDYORH-ZBFHGGJFSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776167636 1037670039 /nfs/dbraw/zinc/67/00/39/1037670039.db2.gz NEQYLEWBAUCSSY-ZWKOTPCHSA-N 1 0 304.478 3.590 20 10 DHCDRO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1O ZINC000775130573 1037670101 /nfs/dbraw/zinc/67/01/01/1037670101.db2.gz MDRZSRSUTREVSG-LLVKDONJSA-N 1 0 315.804 3.783 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1 ZINC000776169852 1037672851 /nfs/dbraw/zinc/67/28/51/1037672851.db2.gz XUAQEINDDNNJSI-CRAIPNDOSA-N 1 0 304.478 3.590 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775136871 1037685338 /nfs/dbraw/zinc/68/53/38/1037685338.db2.gz NIOQKZYQRXJJGL-MRVPVSSYSA-N 1 0 311.706 3.959 20 10 DHCDRO CCCN(Cc1cnn(-c2ccccc2)c1)c1ccc(C[NH3+])cc1 ZINC000775139586 1037700364 /nfs/dbraw/zinc/70/03/64/1037700364.db2.gz DBZOYZHBEJOTNE-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO CCCN(Cc1cc(F)c(F)cc1F)c1ccc(C[NH3+])cc1 ZINC000775140216 1037704836 /nfs/dbraw/zinc/70/48/36/1037704836.db2.gz LAFWNUYYARAAMO-UHFFFAOYSA-N 1 0 308.347 3.979 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000780578051 1037706361 /nfs/dbraw/zinc/70/63/61/1037706361.db2.gz UEJIFXQVZARTQE-ZBFHGGJFSA-N 1 0 317.433 3.863 20 10 DHCDRO CCCN(Cc1ccc(-n2cccn2)cc1)c1ccc(C[NH3+])cc1 ZINC000775150047 1037747435 /nfs/dbraw/zinc/74/74/35/1037747435.db2.gz RHTDVZHTQIZGLO-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000154076535 1037790113 /nfs/dbraw/zinc/79/01/13/1037790113.db2.gz QZIWVRCGSARMSI-QAPCUYQASA-N 1 0 315.461 3.689 20 10 DHCDRO CC[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001201590250 1037794459 /nfs/dbraw/zinc/79/44/59/1037794459.db2.gz RGSJKDJUBFJMGI-UHFFFAOYSA-N 1 0 307.397 3.637 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c1O ZINC000776218743 1037911243 /nfs/dbraw/zinc/91/12/43/1037911243.db2.gz BHKPHVFZUHGBJZ-DIFFPNOSSA-N 1 0 323.795 3.705 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1 ZINC001201842340 1037919140 /nfs/dbraw/zinc/91/91/40/1037919140.db2.gz JQFVSJGZSSFSIG-SFHVURJKSA-N 1 0 306.494 3.666 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000776252750 1038073207 /nfs/dbraw/zinc/07/32/07/1038073207.db2.gz XFHDWJQMYXFUGF-UHFFFAOYSA-N 1 0 313.772 3.739 20 10 DHCDRO CCOc1cccc(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000776252229 1038074896 /nfs/dbraw/zinc/07/48/96/1038074896.db2.gz QBARNFFSYSNGJE-UHFFFAOYSA-N 1 0 305.805 3.777 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2OC(F)F)cc1 ZINC000917030630 1038127055 /nfs/dbraw/zinc/12/70/55/1038127055.db2.gz KROAYTRMVKWFLJ-UHFFFAOYSA-N 1 0 320.383 3.986 20 10 DHCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000917089733 1038186610 /nfs/dbraw/zinc/18/66/10/1038186610.db2.gz JFBAAWZOSLFKOV-KRWDZBQOSA-N 1 0 310.441 3.969 20 10 DHCDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363171 1038275640 /nfs/dbraw/zinc/27/56/40/1038275640.db2.gz KZIJOAZNKCGTFG-NSHDSACASA-N 1 0 305.403 3.573 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cc(C)ccc2C)c1 ZINC000775363663 1038275786 /nfs/dbraw/zinc/27/57/86/1038275786.db2.gz OEVDJYRCHOQBPH-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO CC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC000156834745 1038338152 /nfs/dbraw/zinc/33/81/52/1038338152.db2.gz MEGQZPIILDAFNM-INIZCTEOSA-N 1 0 323.396 3.726 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775413880 1038389476 /nfs/dbraw/zinc/38/94/76/1038389476.db2.gz DKIQGPHMPLRHIZ-GOSISDBHSA-N 1 0 307.397 3.819 20 10 DHCDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000775489615 1038564742 /nfs/dbraw/zinc/56/47/42/1038564742.db2.gz VVITXCSFNPFQCJ-KRWDZBQOSA-N 1 0 312.413 3.982 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775502172 1038590580 /nfs/dbraw/zinc/59/05/80/1038590580.db2.gz PMNFYEZYHWJCRK-NVXWUHKLSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510056 1038594021 /nfs/dbraw/zinc/59/40/21/1038594021.db2.gz UTZRCFOAFWITJE-HIFRSBDPSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775507057 1038598812 /nfs/dbraw/zinc/59/88/12/1038598812.db2.gz GWIYHKRQOJCGML-NVXWUHKLSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775507940 1038599996 /nfs/dbraw/zinc/59/99/96/1038599996.db2.gz PTAXHTFHFCRDQX-XCLFUZPHSA-N 1 0 317.882 3.634 20 10 DHCDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1O ZINC000775539376 1038686689 /nfs/dbraw/zinc/68/66/89/1038686689.db2.gz CHLCLVORBFEUEW-OAHLLOKOSA-N 1 0 311.381 3.851 20 10 DHCDRO COc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000058126819 1038945898 /nfs/dbraw/zinc/94/58/98/1038945898.db2.gz OZRBMSHCYHTELQ-VMPITWQZSA-N 1 0 308.425 3.531 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCCc1ccccc1 ZINC000227434162 1040259490 /nfs/dbraw/zinc/25/94/90/1040259490.db2.gz UFGMLBMPMBIPTN-UHFFFAOYSA-N 1 0 320.230 3.877 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227711816 1040366500 /nfs/dbraw/zinc/36/65/00/1040366500.db2.gz MFRUPLURYUZHMO-ZFWWWQNUSA-N 1 0 322.449 3.736 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cl)c1O ZINC000228669768 1041045530 /nfs/dbraw/zinc/04/55/30/1041045530.db2.gz NTMUGSKPBVQYTB-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1nccs1 ZINC000228675137 1041049676 /nfs/dbraw/zinc/04/96/76/1041049676.db2.gz NVUXCJIGJRKNDG-LLVKDONJSA-N 1 0 312.822 3.752 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000228793430 1041177549 /nfs/dbraw/zinc/17/75/49/1041177549.db2.gz OBXKQSABUGMOLL-HIFRSBDPSA-N 1 0 322.449 3.592 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000092454178 185319507 /nfs/dbraw/zinc/31/95/07/185319507.db2.gz TYGPGQAWPWZCEL-UHFFFAOYSA-N 1 0 307.434 3.570 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCCCCSC)c1O ZINC000187673252 200142739 /nfs/dbraw/zinc/14/27/39/200142739.db2.gz ZZSVUKFHSZAVQX-UHFFFAOYSA-N 1 0 303.855 3.677 20 10 DHCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271515595 129927488 /nfs/dbraw/zinc/92/74/88/129927488.db2.gz UAGCGJVUVBVBJT-SJORKVTESA-N 1 0 312.461 3.613 20 10 DHCDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000272460570 130033216 /nfs/dbraw/zinc/03/32/16/130033216.db2.gz QPSLFBNAEKVPAC-KRWDZBQOSA-N 1 0 321.424 3.715 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343763 130109239 /nfs/dbraw/zinc/10/92/39/130109239.db2.gz AFKMKBFYFAKZLO-CABCVRRESA-N 1 0 319.445 3.933 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c(O)c1 ZINC000273365938 130113237 /nfs/dbraw/zinc/11/32/37/130113237.db2.gz FCBVAXDDTKPGDU-BBRMVZONSA-N 1 0 304.459 3.716 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1 ZINC000273391060 130115631 /nfs/dbraw/zinc/11/56/31/130115631.db2.gz KQROHUYWUTWXTN-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273503942 130129346 /nfs/dbraw/zinc/12/93/46/130129346.db2.gz QSDVWZPXCLZPMF-OKHZJLECSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000273508672 130131182 /nfs/dbraw/zinc/13/11/82/130131182.db2.gz RINKMYXMYQZVSQ-ALLJEULLSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000273528085 130132209 /nfs/dbraw/zinc/13/22/09/130132209.db2.gz VRNHEENMZJGZKD-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCCNc2ccccn2)c(O)c1C ZINC000273587805 130139700 /nfs/dbraw/zinc/13/97/00/130139700.db2.gz OFDOYICBKVQFPK-INIZCTEOSA-N 1 0 313.445 3.947 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273595104 130142039 /nfs/dbraw/zinc/14/20/39/130142039.db2.gz QHKCAWDUFDOWLM-YPMHNXCESA-N 1 0 302.418 3.896 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2O)o1 ZINC000273591949 130142194 /nfs/dbraw/zinc/14/21/94/130142194.db2.gz PNMUSEUQCYDHKO-GUYCJALGSA-N 1 0 311.381 3.831 20 10 DHCDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287695 130223208 /nfs/dbraw/zinc/22/32/08/130223208.db2.gz ZSUKYJNJRFNVGD-WDEREUQCSA-N 1 0 317.458 3.843 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(O)c1C ZINC000274350706 130228237 /nfs/dbraw/zinc/22/82/37/130228237.db2.gz GDRAVYHQAVHPBK-OXXUSNJHSA-N 1 0 301.430 3.617 20 10 DHCDRO OC[C@H]1C=C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000274933708 130274460 /nfs/dbraw/zinc/27/44/60/130274460.db2.gz LLLOGIGXXXZUIE-NLWGTHIKSA-N 1 0 323.436 3.593 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCSC2)c1O ZINC000275158281 130296598 /nfs/dbraw/zinc/29/65/98/130296598.db2.gz AAOIKRLMQYYGAT-MWLCHTKSSA-N 1 0 316.264 3.619 20 10 DHCDRO CCOCc1cc(C[NH2+]CCC2CC(OCC)C2)ccc1OC ZINC000276649034 130531043 /nfs/dbraw/zinc/53/10/43/130531043.db2.gz IGFJRVFEBFLTMB-UHFFFAOYSA-N 1 0 321.461 3.527 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(O)c1 ZINC000282618099 130931848 /nfs/dbraw/zinc/93/18/48/130931848.db2.gz IUEAUFZLFQEJDF-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO CCCOc1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)c(O)c1 ZINC000285558336 131180263 /nfs/dbraw/zinc/18/02/63/131180263.db2.gz SEDGJAKHOUHGNZ-UHFFFAOYSA-N 1 0 318.417 3.811 20 10 DHCDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000285890038 131208387 /nfs/dbraw/zinc/20/83/87/131208387.db2.gz CFFYPFZKJCWROM-QGZVFWFLSA-N 1 0 306.425 3.589 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287081581 131262823 /nfs/dbraw/zinc/26/28/23/131262823.db2.gz ORPICRFPZIMPFH-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000287111449 131264327 /nfs/dbraw/zinc/26/43/27/131264327.db2.gz QPSIZIAAEJNKID-SJCJKPOMSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000287111442 131264587 /nfs/dbraw/zinc/26/45/87/131264587.db2.gz QPSIZIAAEJNKID-PXAZEXFGSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccccc1O ZINC000287340458 131275787 /nfs/dbraw/zinc/27/57/87/131275787.db2.gz GHAYYVKLBVXWQV-CQSZACIVSA-N 1 0 314.404 3.982 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000287641201 131292097 /nfs/dbraw/zinc/29/20/97/131292097.db2.gz UQBVSLBETXUULX-KEYYUXOJSA-N 1 0 303.446 3.594 20 10 DHCDRO COc1ccc(O)c(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000289389620 131381873 /nfs/dbraw/zinc/38/18/73/131381873.db2.gz DRVDHTVVVJLMOE-UHFFFAOYSA-N 1 0 313.397 3.519 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000289423307 131385588 /nfs/dbraw/zinc/38/55/88/131385588.db2.gz BTDDVTMOEZIVQY-HXUWFJFHSA-N 1 0 323.436 3.884 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccccc1O ZINC000289743009 131412031 /nfs/dbraw/zinc/41/20/31/131412031.db2.gz KRBJCHDUIOWOSB-BJLQDIEVSA-N 1 0 311.425 3.599 20 10 DHCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000293848602 131775462 /nfs/dbraw/zinc/77/54/62/131775462.db2.gz XESQYAMGRUJWJM-QMMMGPOBSA-N 1 0 320.177 3.851 20 10 DHCDRO CSC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000294880789 131867808 /nfs/dbraw/zinc/86/78/08/131867808.db2.gz UTAGOCGROGQQLV-CQSZACIVSA-N 1 0 309.475 3.572 20 10 DHCDRO CCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000297205853 132004006 /nfs/dbraw/zinc/00/40/06/132004006.db2.gz RTNCJGPZUIWXGG-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(-n2cccn2)c1 ZINC000297581157 132024001 /nfs/dbraw/zinc/02/40/01/132024001.db2.gz HDJVVQYYAQPUBP-KDOFPFPSSA-N 1 0 319.408 3.916 20 10 DHCDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccccc1O ZINC000298443987 132062704 /nfs/dbraw/zinc/06/27/04/132062704.db2.gz NNXYNOUJMQSHLW-UHFFFAOYSA-N 1 0 313.426 3.577 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000119638258 132134502 /nfs/dbraw/zinc/13/45/02/132134502.db2.gz ZPZAFFGSRQISAR-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000176983364 332966862 /nfs/dbraw/zinc/96/68/62/332966862.db2.gz GLSQLUMJYUDWPG-RYUDHWBXSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1cc(C[NH2+][C@H](CCCO)c2ccccc2)ccc1N(C)C ZINC000293875430 335115474 /nfs/dbraw/zinc/11/54/74/335115474.db2.gz SYGXVKRNDFJQLX-LJQANCHMSA-N 1 0 312.457 3.664 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719150 333142995 /nfs/dbraw/zinc/14/29/95/333142995.db2.gz ARKYVSVACXWMGV-FZKQIMNGSA-N 1 0 300.450 3.596 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(F)ccc1O ZINC000185262378 333206491 /nfs/dbraw/zinc/20/64/91/333206491.db2.gz LPXLCTSABLXJGK-LBPRGKRZSA-N 1 0 316.376 3.566 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000294804124 335127839 /nfs/dbraw/zinc/12/78/39/335127839.db2.gz PEAXCWXKQOYEAY-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000295029772 335129762 /nfs/dbraw/zinc/12/97/62/335129762.db2.gz NTSZSHSICZKLEK-CMPLNLGQSA-N 1 0 303.324 3.564 20 10 DHCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000296410174 335144608 /nfs/dbraw/zinc/14/46/08/335144608.db2.gz MABGTTLQSDRVLU-GOSISDBHSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296636435 335145048 /nfs/dbraw/zinc/14/50/48/335145048.db2.gz BTKGIDUCVMVHOC-IAGOWNOFSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297131659 335148896 /nfs/dbraw/zinc/14/88/96/335148896.db2.gz YZZVZAIBDZTFDP-JCGIZDLHSA-N 1 0 311.425 3.524 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000271205668 334020118 /nfs/dbraw/zinc/02/01/18/334020118.db2.gz YAXIGLJTTQKRDC-UHFFFAOYSA-N 1 0 315.417 3.587 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccn1-c1ccccc1 ZINC000290225022 334171830 /nfs/dbraw/zinc/17/18/30/334171830.db2.gz XPLBGNLAFKJJHD-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000355105375 336494779 /nfs/dbraw/zinc/49/47/79/336494779.db2.gz AAOQKCLLVVGEAT-IPELMVKDSA-N 1 0 310.441 3.534 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1O ZINC000369652112 336869115 /nfs/dbraw/zinc/86/91/15/336869115.db2.gz BZGNXBDQBZSKCZ-IRXDYDNUSA-N 1 0 310.441 3.959 20 10 DHCDRO Cc1cc(C=C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000371980396 336918311 /nfs/dbraw/zinc/91/83/11/336918311.db2.gz QZIZKFMKQQBZFA-UHFFFAOYSA-N 1 0 312.413 3.985 20 10 DHCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000374335657 336987456 /nfs/dbraw/zinc/98/74/56/336987456.db2.gz ZWTRIQNEEQXJMH-HXUWFJFHSA-N 1 0 318.420 3.822 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375305992 337007559 /nfs/dbraw/zinc/00/75/59/337007559.db2.gz YPAAQMDULKSHAL-FQEVSTJZSA-N 1 0 314.473 3.679 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375305996 337007602 /nfs/dbraw/zinc/00/76/02/337007602.db2.gz YPAAQMDULKSHAL-HXUWFJFHSA-N 1 0 314.473 3.679 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450756 337011374 /nfs/dbraw/zinc/01/13/74/337011374.db2.gz DEHSVIHZBGBWNE-ZBFHGGJFSA-N 1 0 313.445 3.686 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1F ZINC000375862863 337021723 /nfs/dbraw/zinc/02/17/23/337021723.db2.gz UMMREYLOMZFTAT-INIZCTEOSA-N 1 0 316.424 3.562 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000376363497 337031980 /nfs/dbraw/zinc/03/19/80/337031980.db2.gz AJOJFNAIPQHLJX-UHFFFAOYSA-N 1 0 308.356 3.883 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCc3cccnc32)c1O ZINC000377244482 337049217 /nfs/dbraw/zinc/04/92/17/337049217.db2.gz LQRSAIGCMFXNTP-INIZCTEOSA-N 1 0 312.413 3.695 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695791 337058697 /nfs/dbraw/zinc/05/86/97/337058697.db2.gz IJNLBZSDBITIPL-JQHSSLGASA-N 1 0 315.388 3.790 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ncoc2-c2ccccc2)c1O ZINC000378153179 337067274 /nfs/dbraw/zinc/06/72/74/337067274.db2.gz INBPXJAVAWOXFL-UHFFFAOYSA-N 1 0 324.380 3.736 20 10 DHCDRO C[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000378633413 337077177 /nfs/dbraw/zinc/07/71/77/337077177.db2.gz MZISYZLMVAUSIS-AWEZNQCLSA-N 1 0 316.470 3.769 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378637688 337077382 /nfs/dbraw/zinc/07/73/82/337077382.db2.gz ODZVTVJMTMIHIA-AWEZNQCLSA-N 1 0 302.805 3.505 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H]2C[C@@]2(C)c2cccs2)c1O ZINC000360091362 337085104 /nfs/dbraw/zinc/08/51/04/337085104.db2.gz CHRGRESGAMAIFT-CXAGYDPISA-N 1 0 303.427 3.530 20 10 DHCDRO Cc1csc(C2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000179961951 337172876 /nfs/dbraw/zinc/17/28/76/337172876.db2.gz RMTVDAIPYFBBDO-UHFFFAOYSA-N 1 0 302.443 3.845 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(F)ccc1O ZINC000185125677 337203293 /nfs/dbraw/zinc/20/32/93/337203293.db2.gz DSBURKFSBQRAAM-CYBMUJFWSA-N 1 0 311.360 3.568 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113179 337253782 /nfs/dbraw/zinc/25/37/82/337253782.db2.gz RLKSYVCSXOULTB-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CC1CCOCC1 ZINC000475199570 339441243 /nfs/dbraw/zinc/44/12/43/339441243.db2.gz WKXXPGNFETVCBW-CQSZACIVSA-N 1 0 300.446 3.782 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3cc(Cl)ccc31)OCO2 ZINC000238137868 341226835 /nfs/dbraw/zinc/22/68/35/341226835.db2.gz USWXWSWPHMCJSD-CQSZACIVSA-N 1 0 317.772 3.551 20 10 DHCDRO [NH3+]CCc1ccccc1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000576644921 341856824 /nfs/dbraw/zinc/85/68/24/341856824.db2.gz YJLVOJZRTVEZGJ-UHFFFAOYSA-N 1 0 320.436 3.660 20 10 DHCDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000160050243 519779872 /nfs/dbraw/zinc/77/98/72/519779872.db2.gz VTMPDGCUXXTZLG-OAHLLOKOSA-N 1 0 313.445 3.786 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157873199 520290540 /nfs/dbraw/zinc/29/05/40/520290540.db2.gz DNEUWJQVCPZCKK-YJLNNSPDSA-N 1 0 302.462 3.751 20 10 DHCDRO COc1cc(C[N@H+](Cc2cc(C)ccc2O)C2CC2)ccc1O ZINC000191510130 522359695 /nfs/dbraw/zinc/35/96/95/522359695.db2.gz JTDHCQHJJHOMJS-UHFFFAOYSA-N 1 0 313.397 3.579 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1O ZINC000156869648 522574277 /nfs/dbraw/zinc/57/42/77/522574277.db2.gz BSAXQIKKQLFULX-HKUYNNGSSA-N 1 0 311.425 3.947 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1O ZINC000121081168 522641210 /nfs/dbraw/zinc/64/12/10/522641210.db2.gz QHNXXORSNJUCQZ-HNNXBMFYSA-N 1 0 316.357 3.550 20 10 DHCDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161981086 522763268 /nfs/dbraw/zinc/76/32/68/522763268.db2.gz WJUZOHCMDPTQOD-XSLAGTTESA-N 1 0 302.462 3.607 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000159874804 522772034 /nfs/dbraw/zinc/77/20/34/522772034.db2.gz UGPPFWLXQYWFJR-NSHDSACASA-N 1 0 307.415 3.664 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000180154057 524733940 /nfs/dbraw/zinc/73/39/40/524733940.db2.gz GMQJVKVEWLFQHT-LLVKDONJSA-N 1 0 306.431 3.667 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000182413591 524749042 /nfs/dbraw/zinc/74/90/42/524749042.db2.gz NBYUAYWLFUQFOW-UHFFFAOYSA-N 1 0 303.789 3.833 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000186129238 524773945 /nfs/dbraw/zinc/77/39/45/524773945.db2.gz HRANTTVWOGNSJJ-UONOGXRCSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1C ZINC000365040475 525314714 /nfs/dbraw/zinc/31/47/14/525314714.db2.gz LYQWJKSWTPOEHR-UHFFFAOYSA-N 1 0 319.836 3.696 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1C ZINC000128445454 525320863 /nfs/dbraw/zinc/32/08/63/525320863.db2.gz CQSCORPXTWXLNO-INIZCTEOSA-N 1 0 303.427 3.644 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000160578793 525384127 /nfs/dbraw/zinc/38/41/27/525384127.db2.gz UFWYNXKQDDWIPI-HOCLYGCPSA-N 1 0 323.440 3.529 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000157573877 525434121 /nfs/dbraw/zinc/43/41/21/525434121.db2.gz PLAYIACFMNWRGF-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000131400620 525546175 /nfs/dbraw/zinc/54/61/75/525546175.db2.gz DBLZFATXZVQNTL-MRXNPFEDSA-N 1 0 324.472 3.599 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N2CCCCC2)cc1 ZINC000188015387 525612389 /nfs/dbraw/zinc/61/23/89/525612389.db2.gz PWXJXHUSGOYFQO-HQRMLTQVSA-N 1 0 316.489 3.879 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000180204347 526349405 /nfs/dbraw/zinc/34/94/05/526349405.db2.gz MZCJELAOVYPMKF-INIZCTEOSA-N 1 0 315.388 3.570 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102393257 526356541 /nfs/dbraw/zinc/35/65/41/526356541.db2.gz QUBXIHOFEANHFZ-MRXNPFEDSA-N 1 0 307.397 3.579 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O ZINC000274941669 535808607 /nfs/dbraw/zinc/80/86/07/535808607.db2.gz SZQLSQMNOLJBOP-CXAGYDPISA-N 1 0 324.424 3.713 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H](O)c1c(F)cccc1F ZINC000272881236 535943309 /nfs/dbraw/zinc/94/33/09/535943309.db2.gz QNYWVCHVPKHJEL-PSZVPEGOSA-N 1 0 321.367 3.833 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1O ZINC000273608605 536896488 /nfs/dbraw/zinc/89/64/88/536896488.db2.gz UZYCJPUOTGXUHT-ZDUSSCGKSA-N 1 0 301.386 3.574 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c(OC)c1 ZINC000273380870 536896941 /nfs/dbraw/zinc/89/69/41/536896941.db2.gz IFYNOPSSPNUNRC-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccccc1O ZINC000155237300 1013316473 /nfs/dbraw/zinc/31/64/73/1013316473.db2.gz ULNDUROCZORQRY-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1cc(C)cc(CNc2ccc3c(c2)[nH+]c(C)n3C)c1O ZINC000894400641 1013320144 /nfs/dbraw/zinc/32/01/44/1013320144.db2.gz CQBZCTRHCIHQCR-UHFFFAOYSA-N 1 0 311.385 3.516 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1O ZINC000894461913 1013377772 /nfs/dbraw/zinc/37/77/72/1013377772.db2.gz LZHIOFVPBPABDI-RHSMWYFYSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894461198 1013379228 /nfs/dbraw/zinc/37/92/28/1013379228.db2.gz CYURPFHMYNVYSC-BDJLRTHQSA-N 1 0 304.340 3.649 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(F)F)cc2)c1O ZINC000894470959 1013379903 /nfs/dbraw/zinc/37/99/03/1013379903.db2.gz OZDNMPLNLSIUHE-UHFFFAOYSA-N 1 0 307.340 3.937 20 10 DHCDRO Cc1ncsc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000071212608 1013835800 /nfs/dbraw/zinc/83/58/00/1013835800.db2.gz RUEAYTXTYRAMJA-UHFFFAOYSA-N 1 0 301.459 3.732 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cnn(C2CCC2)c1 ZINC000925104200 1013884289 /nfs/dbraw/zinc/88/42/89/1013884289.db2.gz WJJKEJPJQPOVRC-LBPRGKRZSA-N 1 0 322.503 3.898 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000070976339 1014079700 /nfs/dbraw/zinc/07/97/00/1014079700.db2.gz FWHQBVAVKGMZGT-SFHVURJKSA-N 1 0 315.388 3.713 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000070976341 1014079909 /nfs/dbraw/zinc/07/99/09/1014079909.db2.gz FWHQBVAVKGMZGT-GOSISDBHSA-N 1 0 315.388 3.713 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c1O ZINC000808702261 1026374634 /nfs/dbraw/zinc/37/46/34/1026374634.db2.gz URDAVAWXYLCULP-ZYHUDNBSSA-N 1 0 317.907 3.853 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC(F)(F)C2)c1O ZINC000760036342 1014243894 /nfs/dbraw/zinc/24/38/94/1014243894.db2.gz GHWDRVKZOTXTEX-MRVPVSSYSA-N 1 0 320.177 3.911 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccccc2OCC(C)C)c1O ZINC000237225137 1014420465 /nfs/dbraw/zinc/42/04/65/1014420465.db2.gz ZPUKRHWBPIWASF-UHFFFAOYSA-N 1 0 315.413 3.725 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000895134662 1014531462 /nfs/dbraw/zinc/53/14/62/1014531462.db2.gz JVIDAWNYIOLXLS-LSDHHAIUSA-N 1 0 301.789 3.504 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CC1(C2CC2)CCC1 ZINC000706857786 1014656739 /nfs/dbraw/zinc/65/67/39/1014656739.db2.gz CKVLQFVPOYYFFL-UHFFFAOYSA-N 1 0 310.235 3.825 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000237255244 1014953567 /nfs/dbraw/zinc/95/35/67/1014953567.db2.gz ZMGNQAUBFLXMTJ-INIZCTEOSA-N 1 0 312.457 3.872 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1O ZINC000895454658 1015165078 /nfs/dbraw/zinc/16/50/78/1015165078.db2.gz OFNVSVGBMUYDCM-KRWDZBQOSA-N 1 0 319.445 3.633 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000895788140 1015302359 /nfs/dbraw/zinc/30/23/59/1015302359.db2.gz IOQMUBDLSPNFDD-WFASDCNBSA-N 1 0 315.335 3.565 20 10 DHCDRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000895824265 1015319789 /nfs/dbraw/zinc/31/97/89/1015319789.db2.gz YTXURCHXZMWJHB-AWEZNQCLSA-N 1 0 302.443 3.612 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(O)c1OC ZINC000891541570 1015366810 /nfs/dbraw/zinc/36/68/10/1015366810.db2.gz BQJRQLXTDZKYFB-MRXNPFEDSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226129 1015510384 /nfs/dbraw/zinc/51/03/84/1015510384.db2.gz BFBLAVFMOJTROY-CYBMUJFWSA-N 1 0 303.299 3.567 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2C)c(O)c1OC ZINC000896803881 1015746163 /nfs/dbraw/zinc/74/61/63/1015746163.db2.gz LBBDIEZWKCZBQU-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)c(O)c1OC ZINC000896797973 1015750018 /nfs/dbraw/zinc/75/00/18/1015750018.db2.gz LBBDIEZWKCZBQU-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO CCc1cccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000896808446 1015752964 /nfs/dbraw/zinc/75/29/64/1015752964.db2.gz FEEHNXNEPISRPQ-UONOGXRCSA-N 1 0 317.351 3.544 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020552854 1015787299 /nfs/dbraw/zinc/78/72/99/1015787299.db2.gz LRIPFADTTAXCAU-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000277028279 1015853600 /nfs/dbraw/zinc/85/36/00/1015853600.db2.gz DWVIRDWHBCRUIK-SSDOTTSWSA-N 1 0 306.150 3.603 20 10 DHCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000399575837 1016167758 /nfs/dbraw/zinc/16/77/58/1016167758.db2.gz HWNRMLLLBUYZHS-TUAOUCFPSA-N 1 0 312.251 3.939 20 10 DHCDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000846939978 1032144413 /nfs/dbraw/zinc/14/44/13/1032144413.db2.gz ICLTWZGUADODJA-UHFFFAOYSA-N 1 0 314.473 3.786 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cc(C)ccc2OC)c1 ZINC000184900379 1016431807 /nfs/dbraw/zinc/43/18/07/1016431807.db2.gz HNAKVZHDLMPSHM-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CC(C)C ZINC000184949314 1016463397 /nfs/dbraw/zinc/46/33/97/1016463397.db2.gz DENDQUUFIZUKMD-CABCVRRESA-N 1 0 322.449 3.512 20 10 DHCDRO Cc1cccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c1O ZINC000184971461 1016468526 /nfs/dbraw/zinc/46/85/26/1016468526.db2.gz FHJLIYZLRQJFTL-OAHLLOKOSA-N 1 0 316.470 3.641 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000184971349 1016469555 /nfs/dbraw/zinc/46/95/55/1016469555.db2.gz MUANDYIBPRZRLU-HNNXBMFYSA-N 1 0 316.470 3.641 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000185085168 1016543194 /nfs/dbraw/zinc/54/31/94/1016543194.db2.gz WFAFBFSANDVSSU-OAHLLOKOSA-N 1 0 313.445 3.793 20 10 DHCDRO COc1ccc(CCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185095166 1016546640 /nfs/dbraw/zinc/54/66/40/1016546640.db2.gz NZIVWIOGIQLPJL-ZDUSSCGKSA-N 1 0 303.377 3.823 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000185165239 1016689624 /nfs/dbraw/zinc/68/96/24/1016689624.db2.gz JUKKRLBNGGNBJT-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000277581338 1016701343 /nfs/dbraw/zinc/70/13/43/1016701343.db2.gz UCPQOEWIDGKHFP-ZDUSSCGKSA-N 1 0 317.260 3.615 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(O)c1 ZINC000185233802 1016777401 /nfs/dbraw/zinc/77/74/01/1016777401.db2.gz KXTPIQOBAOIUEI-HNNXBMFYSA-N 1 0 310.441 3.934 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000185233590 1016777486 /nfs/dbraw/zinc/77/74/86/1016777486.db2.gz FFCODFLGKYRYMN-HNNXBMFYSA-N 1 0 310.441 3.934 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000185488909 1016942295 /nfs/dbraw/zinc/94/22/95/1016942295.db2.gz GNPSUMSIXGYECZ-IYOUNJFTSA-N 1 0 321.461 3.893 20 10 DHCDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000840775490 1016955587 /nfs/dbraw/zinc/95/55/87/1016955587.db2.gz PWWPZTORNKUMPF-KBPBESRZSA-N 1 0 302.393 3.988 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1 ZINC000185576282 1017019972 /nfs/dbraw/zinc/01/99/72/1017019972.db2.gz WFQSPAWNOPFDQW-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185580289 1017029040 /nfs/dbraw/zinc/02/90/40/1017029040.db2.gz MIKCYWFQCVSOAJ-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772963764 1032199834 /nfs/dbraw/zinc/19/98/34/1032199834.db2.gz LKVBFUJXDCXCGA-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000772984748 1032336232 /nfs/dbraw/zinc/33/62/32/1032336232.db2.gz PYJVINBZDJEMGQ-MRXNPFEDSA-N 1 0 303.789 3.831 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000840880208 1017301022 /nfs/dbraw/zinc/30/10/22/1017301022.db2.gz JHSHYCBEAAWSFE-QAPCUYQASA-N 1 0 317.404 3.657 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)cc1 ZINC000773043531 1032537348 /nfs/dbraw/zinc/53/73/48/1032537348.db2.gz CPXUYKJDWYZLQP-PBHICJAKSA-N 1 0 318.486 3.897 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CO)CCCCC2)cc1 ZINC000773049645 1032540090 /nfs/dbraw/zinc/54/00/90/1032540090.db2.gz TXPTVZIRPOWGMS-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000773101314 1032560731 /nfs/dbraw/zinc/56/07/31/1032560731.db2.gz BIBVUVFOVIIMQA-APWZRJJASA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1cc(N(C)C)[nH+]cc1NCc1cc2ccccc2cc1O ZINC001171404705 1032595686 /nfs/dbraw/zinc/59/56/86/1032595686.db2.gz JYIHGJWVEHXABA-UHFFFAOYSA-N 1 0 307.397 3.927 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122471654 1032608992 /nfs/dbraw/zinc/60/89/92/1032608992.db2.gz HSSYWPVJPIEWPM-GFCCVEGCSA-N 1 0 317.364 3.651 20 10 DHCDRO Cc1ccc([C@@H](C)CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001208170611 1012319987 /nfs/dbraw/zinc/31/99/87/1012319987.db2.gz XVQYQOOGVYTTFS-ZDUSSCGKSA-N 1 0 315.413 3.941 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000035628902 1012456049 /nfs/dbraw/zinc/45/60/49/1012456049.db2.gz MBZQRRLAHMYZAD-ZFWWWQNUSA-N 1 0 304.459 3.716 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@H]1C[NH3+] ZINC001205983213 1032638500 /nfs/dbraw/zinc/63/85/00/1032638500.db2.gz OJHLLEVWQDZKBR-QWRGUYRKSA-N 1 0 317.260 3.506 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000154473781 1012739896 /nfs/dbraw/zinc/73/98/96/1012739896.db2.gz YBHKPTXLYDUATA-HUUCEWRRSA-N 1 0 316.470 3.997 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1O ZINC000894332279 1012830547 /nfs/dbraw/zinc/83/05/47/1012830547.db2.gz MVCIXXIVOPNTIP-INIZCTEOSA-N 1 0 319.445 3.681 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000037141557 1012840067 /nfs/dbraw/zinc/84/00/67/1012840067.db2.gz CBFFRGUCUONZRQ-NWDGAFQWSA-N 1 0 303.324 3.612 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CCOCC2)cc1F ZINC000093284591 1017168863 /nfs/dbraw/zinc/16/88/63/1017168863.db2.gz RUORCAYOKKACCA-UHFFFAOYSA-N 1 0 308.441 3.530 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916521 1017226726 /nfs/dbraw/zinc/22/67/26/1017226726.db2.gz MPIHYGWXOUNNGR-IAGOWNOFSA-N 1 0 314.429 3.863 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716287109 1032691505 /nfs/dbraw/zinc/69/15/05/1032691505.db2.gz CTVDQSJOAMZWDR-MJGOQNOKSA-N 1 0 310.441 3.707 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716287920 1032693132 /nfs/dbraw/zinc/69/31/32/1032693132.db2.gz GKMFRVDFKPESDJ-AEFFLSMTSA-N 1 0 310.441 3.626 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000716287924 1032693249 /nfs/dbraw/zinc/69/32/49/1032693249.db2.gz GKMFRVDFKPESDJ-FUHWJXTLSA-N 1 0 310.441 3.626 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550949 1032698290 /nfs/dbraw/zinc/69/82/90/1032698290.db2.gz NUWGKHHGHUJIKS-HOCLYGCPSA-N 1 0 306.425 3.646 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926911091 1032698889 /nfs/dbraw/zinc/69/88/89/1032698889.db2.gz LIXFFVYNRGUECE-COPLHBTASA-N 1 0 303.324 3.543 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921529 1017483037 /nfs/dbraw/zinc/48/30/37/1017483037.db2.gz VEVKZOLFICSJRA-UONOGXRCSA-N 1 0 309.837 3.603 20 10 DHCDRO OCCCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000783599508 1017483487 /nfs/dbraw/zinc/48/34/87/1017483487.db2.gz QIJIKQXDLDMFOF-UHFFFAOYSA-N 1 0 316.489 3.661 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950904 1017532868 /nfs/dbraw/zinc/53/28/68/1017532868.db2.gz QFPQDPIHQHAIRI-AWEZNQCLSA-N 1 0 318.383 3.508 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000119566411 1017621299 /nfs/dbraw/zinc/62/12/99/1017621299.db2.gz LSKCTJBSXQPALU-LZLYRXPVSA-N 1 0 302.462 3.753 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)C(C)C ZINC000840967082 1017677279 /nfs/dbraw/zinc/67/72/79/1017677279.db2.gz KRAYEVBAQONOQJ-RTBURBONSA-N 1 0 304.478 3.562 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161443349 1017817864 /nfs/dbraw/zinc/81/78/64/1017817864.db2.gz XUUMYORRNINVGX-APWZRJJASA-N 1 0 312.457 3.569 20 10 DHCDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186142729 1017931862 /nfs/dbraw/zinc/93/18/62/1017931862.db2.gz ZVZWISOMFRWSIT-GJZGRUSLSA-N 1 0 308.441 3.550 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497825 1032736947 /nfs/dbraw/zinc/73/69/47/1032736947.db2.gz WTQYSAXOWLQJOY-OAHLLOKOSA-N 1 0 315.363 3.586 20 10 DHCDRO CCC[N@H+](Cc1cccc2nsnc21)Cc1ccccc1O ZINC000766081703 1018186972 /nfs/dbraw/zinc/18/69/72/1018186972.db2.gz PGBIQBFZQVHQFE-UHFFFAOYSA-N 1 0 313.426 3.809 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000124941227 1018226200 /nfs/dbraw/zinc/22/62/00/1018226200.db2.gz NWVGNHIASRFCDM-NSHDSACASA-N 1 0 307.340 3.872 20 10 DHCDRO CCN(CC)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764541459 1018309671 /nfs/dbraw/zinc/30/96/71/1018309671.db2.gz MNQIXNDOYLHYHQ-QGZVFWFLSA-N 1 0 303.494 3.669 20 10 DHCDRO Cc1nccn1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263707746 1032759383 /nfs/dbraw/zinc/75/93/83/1032759383.db2.gz SVDLFRSYGBAZTD-UHFFFAOYSA-N 1 0 321.424 3.744 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764880075 1018417192 /nfs/dbraw/zinc/41/71/92/1018417192.db2.gz AAHWAFZPPDOIAI-VQIMIIECSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858100537 1032766904 /nfs/dbraw/zinc/76/69/04/1032766904.db2.gz SZDNIPAARDOYSV-JVPBZIDWSA-N 1 0 316.514 3.764 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000077460688 1018588232 /nfs/dbraw/zinc/58/82/32/1018588232.db2.gz XGZOVJHYNNRNKE-SFHVURJKSA-N 1 0 318.486 3.592 20 10 DHCDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280837 1018744558 /nfs/dbraw/zinc/74/45/58/1018744558.db2.gz CSEDQNAKDVINKH-LPHOPBHVSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765279133 1018745687 /nfs/dbraw/zinc/74/56/87/1018745687.db2.gz FRAQXAVILOFDMX-MJGOQNOKSA-N 1 0 315.505 3.812 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765332709 1018759982 /nfs/dbraw/zinc/75/99/82/1018759982.db2.gz BCVBZOYGMBODOW-AWEZNQCLSA-N 1 0 302.393 3.621 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765333202 1018760264 /nfs/dbraw/zinc/76/02/64/1018760264.db2.gz KJXYQBMBTZUMKR-CVEARBPZSA-N 1 0 310.441 3.655 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3c([O-])cccc3F)C2)cc1 ZINC001137839665 1018768792 /nfs/dbraw/zinc/76/87/92/1018768792.db2.gz GKBJGMZXVIAGIH-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccncc1 ZINC000858144988 1032781289 /nfs/dbraw/zinc/78/12/89/1032781289.db2.gz WSKJXXFJZYMNQG-MRXNPFEDSA-N 1 0 305.372 3.667 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765433166 1018783076 /nfs/dbraw/zinc/78/30/76/1018783076.db2.gz XUWDWIQXQLXWDA-IEBWSBKVSA-N 1 0 310.441 3.797 20 10 DHCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765475414 1018802338 /nfs/dbraw/zinc/80/23/38/1018802338.db2.gz TYQZTGARPYUQBI-RDJZCZTQSA-N 1 0 322.468 3.874 20 10 DHCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765473829 1018803510 /nfs/dbraw/zinc/80/35/10/1018803510.db2.gz JRQWUQFVTRIIMC-VQIMIIECSA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157544 1032787054 /nfs/dbraw/zinc/78/70/54/1032787054.db2.gz ZHERWYZPKUUHGB-JTQLQIEISA-N 1 0 310.310 3.851 20 10 DHCDRO [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001137841911 1018859922 /nfs/dbraw/zinc/85/99/22/1018859922.db2.gz ZJNBWMIVRHFYMO-HNNXBMFYSA-N 1 0 303.352 3.878 20 10 DHCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(F)(F)F ZINC000858177361 1032793751 /nfs/dbraw/zinc/79/37/51/1032793751.db2.gz BZPWGNSEFGWWNC-VIFPVBQESA-N 1 0 310.310 3.709 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765936843 1018909466 /nfs/dbraw/zinc/90/94/66/1018909466.db2.gz UBUDLJNQPLHVSI-KUHUBIRLSA-N 1 0 320.452 3.628 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@@H]1SC ZINC000842922720 1018919151 /nfs/dbraw/zinc/91/91/51/1018919151.db2.gz CJTJGFGEMRUMGT-VHIFSBLJSA-N 1 0 315.866 3.605 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(-c2ccccc2)c1 ZINC000765610037 1018998760 /nfs/dbraw/zinc/99/87/60/1018998760.db2.gz ULYBZNGGYAWPGU-HNNXBMFYSA-N 1 0 319.408 3.658 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000765610956 1019000207 /nfs/dbraw/zinc/00/02/07/1019000207.db2.gz ZLUCVXKLQPOIRF-GFCCVEGCSA-N 1 0 301.361 3.620 20 10 DHCDRO CCN(CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000765625265 1019013077 /nfs/dbraw/zinc/01/30/77/1019013077.db2.gz UUMTZZYDLTXWAC-KRWDZBQOSA-N 1 0 315.505 3.812 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000858205266 1032804020 /nfs/dbraw/zinc/80/40/20/1032804020.db2.gz UOULHGNZMUJYSN-ZACQAIPSSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC1CC1 ZINC000858239620 1032811859 /nfs/dbraw/zinc/81/18/59/1032811859.db2.gz QMZZKZKTGYSOGE-UHFFFAOYSA-N 1 0 313.397 3.540 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCC23CCOCC3)cc1Cl ZINC000825774599 1032810938 /nfs/dbraw/zinc/81/09/38/1032810938.db2.gz ZJJZCOCXDXKVAO-INIZCTEOSA-N 1 0 309.837 3.793 20 10 DHCDRO CCCOc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000858238163 1032811534 /nfs/dbraw/zinc/81/15/34/1032811534.db2.gz WNTZRMBJNOZDFF-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1O ZINC000282543912 1019186082 /nfs/dbraw/zinc/18/60/82/1019186082.db2.gz WOHPFTOKWKAMCG-HZMBPMFUSA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1O ZINC000282543919 1019187511 /nfs/dbraw/zinc/18/75/11/1019187511.db2.gz WOHPFTOKWKAMCG-QMTHXVAHSA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1O ZINC000282543923 1019188921 /nfs/dbraw/zinc/18/89/21/1019188921.db2.gz WOHPFTOKWKAMCG-YGRLFVJLSA-N 1 0 305.809 3.507 20 10 DHCDRO c1cnc2c(c1)cccc2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921624835 1019297015 /nfs/dbraw/zinc/29/70/15/1019297015.db2.gz PPHBLHXWPDDPTI-UHFFFAOYSA-N 1 0 304.393 3.850 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cnc3n2CCC3)c(C)n1-c1ccccc1 ZINC000858294084 1032832060 /nfs/dbraw/zinc/83/20/60/1032832060.db2.gz DGMSJMIDTKKTDE-UHFFFAOYSA-N 1 0 320.440 3.527 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858304966 1032834946 /nfs/dbraw/zinc/83/49/46/1032834946.db2.gz LCWCWNWMSGZMAF-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO c1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000125424773 1032840057 /nfs/dbraw/zinc/84/00/57/1032840057.db2.gz GWWIRSHRUIWXQM-UHFFFAOYSA-N 1 0 322.452 3.688 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001168705021 1019624769 /nfs/dbraw/zinc/62/47/69/1019624769.db2.gz PZDNTJMOIWOLHW-AWEZNQCLSA-N 1 0 301.817 3.919 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4cc(F)ccc43)ccc21 ZINC000727645115 1019746595 /nfs/dbraw/zinc/74/65/95/1019746595.db2.gz PWJVUTKRSJNGDC-IBGZPJMESA-N 1 0 310.416 3.985 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC001171733328 1032851530 /nfs/dbraw/zinc/85/15/30/1032851530.db2.gz QUBLQUXQRGDIBP-NUJGCVRESA-N 1 0 310.441 3.706 20 10 DHCDRO Cc1cc(O)c(CN2CCC[N@@H+](C(C)C)CC2)cc1C(C)C ZINC000727823932 1019824504 /nfs/dbraw/zinc/82/45/04/1019824504.db2.gz MUBVVJRBJQYVFJ-UHFFFAOYSA-N 1 0 304.478 3.740 20 10 DHCDRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000139971917 1019883103 /nfs/dbraw/zinc/88/31/03/1019883103.db2.gz WBVCDKZIODDTQG-QGZVFWFLSA-N 1 0 313.372 3.764 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2CCCc3scnc32)n1 ZINC000858365156 1032863739 /nfs/dbraw/zinc/86/37/39/1032863739.db2.gz KKTGDGKMIUQZSU-JTQLQIEISA-N 1 0 311.501 3.749 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1C(C)C ZINC000730804552 1020027616 /nfs/dbraw/zinc/02/76/16/1020027616.db2.gz IGSUXUKKXHATJZ-GOSISDBHSA-N 1 0 316.489 3.884 20 10 DHCDRO CCOc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000922424751 1020070515 /nfs/dbraw/zinc/07/05/15/1020070515.db2.gz SLBBAUVDTFJWKF-LQDVMPOASA-N 1 0 307.459 3.555 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNc2cccc(F)c2)c1 ZINC000186543022 1020122459 /nfs/dbraw/zinc/12/24/59/1020122459.db2.gz BDUJBEAMMCHVQK-CYBMUJFWSA-N 1 0 318.392 3.693 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000732182559 1020205479 /nfs/dbraw/zinc/20/54/79/1020205479.db2.gz UEHQXGKQBHKCOC-ZDUSSCGKSA-N 1 0 315.413 3.978 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922676490 1020209481 /nfs/dbraw/zinc/20/94/81/1020209481.db2.gz AAWPLTVOHFONRZ-HIFRSBDPSA-N 1 0 317.351 3.593 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000186325930 1020241421 /nfs/dbraw/zinc/24/14/21/1020241421.db2.gz BIVVVKWCZQYEJN-NJSLBKSFSA-N 1 0 316.420 3.873 20 10 DHCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000765808897 1020294469 /nfs/dbraw/zinc/29/44/69/1020294469.db2.gz LQVHCCQHHKPCNV-MOPGFXCFSA-N 1 0 316.489 3.969 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cccnc32)c(Cl)c1 ZINC000922884126 1020335523 /nfs/dbraw/zinc/33/55/23/1020335523.db2.gz NUQWGAYENOWWAM-HNNXBMFYSA-N 1 0 302.805 3.916 20 10 DHCDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324855 1020371876 /nfs/dbraw/zinc/37/18/76/1020371876.db2.gz HETVVXBTKWEYPG-KBXCAEBGSA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1cccc(C)c1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325062 1020372766 /nfs/dbraw/zinc/37/27/66/1020372766.db2.gz VCQVMOXIIRENAW-UHFFFAOYSA-N 1 0 316.420 3.677 20 10 DHCDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325001 1020372915 /nfs/dbraw/zinc/37/29/15/1020372915.db2.gz QYFZKOHPHJMFRR-HNNXBMFYSA-N 1 0 300.421 3.921 20 10 DHCDRO CCCCN1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000733327930 1020374197 /nfs/dbraw/zinc/37/41/97/1020374197.db2.gz HGSDGFZPZSVCLH-CQSZACIVSA-N 1 0 310.869 3.790 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000765819662 1020391872 /nfs/dbraw/zinc/39/18/72/1020391872.db2.gz VOHQHAMSAMMTMB-IFXMJZAHSA-N 1 0 305.393 3.627 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2cccc3[nH]ccc32)c1O ZINC000282562575 1020458543 /nfs/dbraw/zinc/45/85/43/1020458543.db2.gz DTXMYEPNRROURD-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCCC12CCOCC2 ZINC000282563403 1020460024 /nfs/dbraw/zinc/46/00/24/1020460024.db2.gz STYUOMYIDXNUSX-GOSISDBHSA-N 1 0 302.462 3.711 20 10 DHCDRO COc1ccc(C[NH2+]CCCCc2ccccc2)c(O)c1OC ZINC000892480493 1020470520 /nfs/dbraw/zinc/47/05/20/1020470520.db2.gz DCKOOJUTJVTMJK-UHFFFAOYSA-N 1 0 315.413 3.522 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)c(O)c1OC ZINC000892481735 1020481365 /nfs/dbraw/zinc/48/13/65/1020481365.db2.gz OYABYIFDJMTRDS-QGZVFWFLSA-N 1 0 315.413 3.896 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000766028094 1020481979 /nfs/dbraw/zinc/48/19/79/1020481979.db2.gz DGMXHOLLFGIHQT-QGZVFWFLSA-N 1 0 316.832 3.938 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c(O)c1OC ZINC000892485878 1020503493 /nfs/dbraw/zinc/50/34/93/1020503493.db2.gz OLCXJOUYXRXEJP-KRWDZBQOSA-N 1 0 313.397 3.650 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765873832 1020535915 /nfs/dbraw/zinc/53/59/15/1020535915.db2.gz WVYRQIUHUQSEHB-RDJZCZTQSA-N 1 0 310.441 3.970 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000691407094 1020648503 /nfs/dbraw/zinc/64/85/03/1020648503.db2.gz MDUFHERUIJUJLQ-ZDUSSCGKSA-N 1 0 318.214 3.584 20 10 DHCDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725844975 1020659107 /nfs/dbraw/zinc/65/91/07/1020659107.db2.gz DSTMFAVKFSWCQK-MRXNPFEDSA-N 1 0 312.457 3.879 20 10 DHCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000858496870 1032923525 /nfs/dbraw/zinc/92/35/25/1032923525.db2.gz WAYWOLZWUFDRGU-AWEZNQCLSA-N 1 0 312.413 3.534 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000766213581 1020717188 /nfs/dbraw/zinc/71/71/88/1020717188.db2.gz HAAJOSOSEFPALV-WMLDXEAASA-N 1 0 320.452 3.577 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735323521 1020719505 /nfs/dbraw/zinc/71/95/05/1020719505.db2.gz BNMBXEJHWUSWRQ-CYBMUJFWSA-N 1 0 301.817 3.940 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735323593 1020719557 /nfs/dbraw/zinc/71/95/57/1020719557.db2.gz GBWXBIWRRSOPBL-CYBMUJFWSA-N 1 0 301.817 3.940 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000735508517 1020741567 /nfs/dbraw/zinc/74/15/67/1020741567.db2.gz CHRBFFPNWLUNDY-CQSZACIVSA-N 1 0 301.411 3.728 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2c1 ZINC000735666157 1020760825 /nfs/dbraw/zinc/76/08/25/1020760825.db2.gz CKTTUUVPZARGPG-STQMWFEESA-N 1 0 317.454 3.880 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)c(O)c1 ZINC000736647080 1020824820 /nfs/dbraw/zinc/82/48/20/1020824820.db2.gz DSTFYJHNEUAFRW-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CCC1 ZINC000738053687 1020860265 /nfs/dbraw/zinc/86/02/65/1020860265.db2.gz LOFJAXFCBGKJGO-UHFFFAOYSA-N 1 0 313.397 3.706 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000858544095 1032941374 /nfs/dbraw/zinc/94/13/74/1032941374.db2.gz YLPPBPJLYAMGGT-INIZCTEOSA-N 1 0 322.456 3.987 20 10 DHCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740005819 1020923832 /nfs/dbraw/zinc/92/38/32/1020923832.db2.gz GYSHDWGDEFNHML-KBXCAEBGSA-N 1 0 310.457 3.559 20 10 DHCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000174023641 1020951107 /nfs/dbraw/zinc/95/11/07/1020951107.db2.gz SZCWRIFJLFZYTH-GFCCVEGCSA-N 1 0 309.413 3.747 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000740859205 1020954335 /nfs/dbraw/zinc/95/43/35/1020954335.db2.gz JHRQIDJWSYWAEU-STQMWFEESA-N 1 0 313.397 3.562 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCO[C@H]21 ZINC000741255128 1020994781 /nfs/dbraw/zinc/99/47/81/1020994781.db2.gz GCCDRMGVOVAKLE-MISYRCLQSA-N 1 0 323.436 3.962 20 10 DHCDRO COc1ccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1C ZINC000741258960 1020996023 /nfs/dbraw/zinc/99/60/23/1020996023.db2.gz SMHBVLRJWIZKIV-LJQANCHMSA-N 1 0 321.424 3.731 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278802248 1021016114 /nfs/dbraw/zinc/01/61/14/1021016114.db2.gz OQMKRWXXMVWNAU-JTQLQIEISA-N 1 0 319.298 3.508 20 10 DHCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000766274067 1021036125 /nfs/dbraw/zinc/03/61/25/1021036125.db2.gz SKOGRQWVUOSVNP-MSOLQXFVSA-N 1 0 315.505 3.812 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccccc1F ZINC000742381352 1021109767 /nfs/dbraw/zinc/10/97/67/1021109767.db2.gz RTGONFZJTPIASQ-NSHDSACASA-N 1 0 309.768 3.742 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000742382655 1021109943 /nfs/dbraw/zinc/10/99/43/1021109943.db2.gz HPQHTZPKYQLYNO-LBPRGKRZSA-N 1 0 321.804 3.611 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccc(C)o2)c1 ZINC000742381507 1021109970 /nfs/dbraw/zinc/10/99/70/1021109970.db2.gz YYMSGVBTSKYYPX-ZDUSSCGKSA-N 1 0 303.402 3.803 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1C ZINC000742371799 1021112902 /nfs/dbraw/zinc/11/29/02/1021112902.db2.gz DMOXNWCRHCSTJP-YJYMSZOUSA-N 1 0 305.462 3.676 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000742371362 1021113284 /nfs/dbraw/zinc/11/32/84/1021113284.db2.gz SJAOVSXLSLNENN-XOKHGSTOSA-N 1 0 322.880 3.788 20 10 DHCDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000742380114 1021115459 /nfs/dbraw/zinc/11/54/59/1021115459.db2.gz HRRKKMOFBOLBNQ-OAHLLOKOSA-N 1 0 316.420 3.757 20 10 DHCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000858585419 1032957124 /nfs/dbraw/zinc/95/71/24/1032957124.db2.gz HCZWRTKMGWHYHI-FVQBIDKESA-N 1 0 306.425 3.644 20 10 DHCDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)cc1C ZINC000742709410 1021148901 /nfs/dbraw/zinc/14/89/01/1021148901.db2.gz QKYPWGABWWDBGJ-INIZCTEOSA-N 1 0 310.441 3.544 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000742696737 1021150380 /nfs/dbraw/zinc/15/03/80/1021150380.db2.gz JGFGLVCBPWLGDP-KRWDZBQOSA-N 1 0 316.489 3.829 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C(C)C ZINC000917473489 1021271789 /nfs/dbraw/zinc/27/17/89/1021271789.db2.gz PWYUFVYPDXKFAE-PKOBYXMFSA-N 1 0 303.446 3.967 20 10 DHCDRO COCC1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137853992 1021281689 /nfs/dbraw/zinc/28/16/89/1021281689.db2.gz DFKJVZZCUXPIMR-UHFFFAOYSA-N 1 0 312.457 3.953 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCS1 ZINC000743400698 1021282888 /nfs/dbraw/zinc/28/28/88/1021282888.db2.gz QUWQPTCRPGFOHU-HNNXBMFYSA-N 1 0 317.454 3.881 20 10 DHCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000743499058 1021307015 /nfs/dbraw/zinc/30/70/15/1021307015.db2.gz GLANBTQEBDTYSO-HOCLYGCPSA-N 1 0 310.457 3.559 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000107717736 1021344503 /nfs/dbraw/zinc/34/45/03/1021344503.db2.gz GPUZNPXXGCDLRB-OAQYLSRUSA-N 1 0 324.468 3.938 20 10 DHCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000107717732 1021344602 /nfs/dbraw/zinc/34/46/02/1021344602.db2.gz GPUZNPXXGCDLRB-NRFANRHFSA-N 1 0 324.468 3.938 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154484073 1021347485 /nfs/dbraw/zinc/34/74/85/1021347485.db2.gz CLPKFIRFMHSETI-KBXCAEBGSA-N 1 0 308.441 3.628 20 10 DHCDRO CCc1cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000743847785 1021374985 /nfs/dbraw/zinc/37/49/85/1021374985.db2.gz IYWJBMKJIBNXHS-UHFFFAOYSA-N 1 0 300.402 3.887 20 10 DHCDRO CCC[N@H+](Cc1noc2c1CCCC2)Cc1ccccc1O ZINC000108858608 1021379783 /nfs/dbraw/zinc/37/97/83/1021379783.db2.gz LDAPQQHDBHMOKE-UHFFFAOYSA-N 1 0 300.402 3.671 20 10 DHCDRO COc1cc(C[NH2+]Cc2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850159528 1021430181 /nfs/dbraw/zinc/43/01/81/1021430181.db2.gz HCNMTWDKGAQVQS-UHFFFAOYSA-N 1 0 320.458 3.753 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)[C@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850318264 1021472555 /nfs/dbraw/zinc/47/25/55/1021472555.db2.gz QVEPEDMVGLUFRV-XIKOKIGWSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850326057 1021475032 /nfs/dbraw/zinc/47/50/32/1021475032.db2.gz SPWOPQRTISYPGW-WCQYABFASA-N 1 0 309.475 3.682 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000850341575 1021479257 /nfs/dbraw/zinc/47/92/57/1021479257.db2.gz LFTJYJJQRQRCBP-QGZVFWFLSA-N 1 0 309.457 3.965 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4occc4c3)C2)cc1 ZINC000850347791 1021480945 /nfs/dbraw/zinc/48/09/45/1021480945.db2.gz XPFWVRHUJYEWNH-QGZVFWFLSA-N 1 0 322.408 3.810 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C/C=C/CO)c(O)c(C(C)(C)C)c1 ZINC000850357467 1021486480 /nfs/dbraw/zinc/48/64/80/1021486480.db2.gz KNTMCWLNHZXSNX-BQYQJAHWSA-N 1 0 305.462 3.625 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850374258 1021497679 /nfs/dbraw/zinc/49/76/79/1021497679.db2.gz LERFLPCYDIXDSZ-RDJZCZTQSA-N 1 0 303.789 3.622 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCCC3CCC3)CC2)cc1 ZINC000850379243 1021498795 /nfs/dbraw/zinc/49/87/95/1021498795.db2.gz ISYARQQWVZWPNV-UHFFFAOYSA-N 1 0 302.462 3.834 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000850406614 1021514108 /nfs/dbraw/zinc/51/41/08/1021514108.db2.gz NHRDRNKHRDEHAU-NUJGCVRESA-N 1 0 316.489 3.562 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695111604 1021523276 /nfs/dbraw/zinc/52/32/76/1021523276.db2.gz AJPPCCZNLIWBNI-NSHDSACASA-N 1 0 320.177 3.822 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc2cnccc2o1 ZINC000850430553 1021528767 /nfs/dbraw/zinc/52/87/67/1021528767.db2.gz MRUONJOKBUEQEA-LBPRGKRZSA-N 1 0 313.376 3.884 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C(C)(C)C)cc1F ZINC000744449291 1021548208 /nfs/dbraw/zinc/54/82/08/1021548208.db2.gz VMYAXFZOCSLBPD-QGZVFWFLSA-N 1 0 310.457 3.823 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)c2c1c(F)ccc2O ZINC000850481315 1021556538 /nfs/dbraw/zinc/55/65/38/1021556538.db2.gz JGBHHLWVVSAFFT-DYEKYZERSA-N 1 0 306.425 3.542 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000850487741 1021561422 /nfs/dbraw/zinc/56/14/22/1021561422.db2.gz JDEZQZVKZJBSMX-YJBOKZPZSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(C)oc3C)C2)cc1 ZINC000850486985 1021561639 /nfs/dbraw/zinc/56/16/39/1021561639.db2.gz DWUVXXRPJSRSEX-GOEBONIOSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccnc3ccccc23)c1 ZINC000850505336 1021565697 /nfs/dbraw/zinc/56/56/97/1021565697.db2.gz BEFGGZTYVAWCMK-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(OC)c1 ZINC000850514644 1021571577 /nfs/dbraw/zinc/57/15/77/1021571577.db2.gz ONAQCXPKDPIHGX-SJKOYZFVSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)c2c1c(F)ccc2O ZINC000850526392 1021580466 /nfs/dbraw/zinc/58/04/66/1021580466.db2.gz BRZNSRNOIGXBNA-SWRJLBSHSA-N 1 0 313.372 3.848 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(C)cc1O ZINC000850533378 1021587779 /nfs/dbraw/zinc/58/77/79/1021587779.db2.gz WWFYCIVYFZEIEO-BMFZPTHFSA-N 1 0 311.372 3.556 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850539325 1021592655 /nfs/dbraw/zinc/59/26/55/1021592655.db2.gz RXNCXVVEDRFPLQ-HOTGVXAUSA-N 1 0 302.462 3.758 20 10 DHCDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565103 1021609342 /nfs/dbraw/zinc/60/93/42/1021609342.db2.gz ACMDARJIPVQZNA-QGZVFWFLSA-N 1 0 324.468 3.807 20 10 DHCDRO CC(C)CC1([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850566971 1021611100 /nfs/dbraw/zinc/61/11/00/1021611100.db2.gz USXUXHPDKNMKKR-OAHLLOKOSA-N 1 0 320.452 3.892 20 10 DHCDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566494 1021611186 /nfs/dbraw/zinc/61/11/86/1021611186.db2.gz OEZDRNBKZQHYIE-OXJNMPFZSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566939 1021611253 /nfs/dbraw/zinc/61/12/53/1021611253.db2.gz VACUVYULYFLWLW-HOTGVXAUSA-N 1 0 316.489 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)C2CCCCC2)c1O ZINC000850570279 1021612756 /nfs/dbraw/zinc/61/27/56/1021612756.db2.gz SSSISSBRIDMXLI-SUMWQHHRSA-N 1 0 307.434 3.647 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1c(C)noc1C ZINC000182459674 1021663523 /nfs/dbraw/zinc/66/35/23/1021663523.db2.gz SLEBESGPOWFQPR-HNNXBMFYSA-N 1 0 320.364 3.580 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000776498572 1021677622 /nfs/dbraw/zinc/67/76/22/1021677622.db2.gz OGJLXNVWECNNGR-ACJLOTCBSA-N 1 0 303.377 3.706 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000783015591 1021701586 /nfs/dbraw/zinc/70/15/86/1021701586.db2.gz CUBYSJBFOQLJJG-LLVKDONJSA-N 1 0 316.376 3.542 20 10 DHCDRO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109772972 1021746163 /nfs/dbraw/zinc/74/61/63/1021746163.db2.gz QKGKTVPTMOURMJ-LBPRGKRZSA-N 1 0 318.804 3.505 20 10 DHCDRO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1O ZINC000109773624 1021746829 /nfs/dbraw/zinc/74/68/29/1021746829.db2.gz WXLBRDCEORSFMK-UHFFFAOYSA-N 1 0 318.804 3.506 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377757668 1021850594 /nfs/dbraw/zinc/85/05/94/1021850594.db2.gz AIZJDMGEGGNQFS-CTNGQTDRSA-N 1 0 323.484 3.535 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOCc2ccccc2)c1 ZINC000182895113 1021852544 /nfs/dbraw/zinc/85/25/44/1021852544.db2.gz GDYJTVCSQSGBAS-OAHLLOKOSA-N 1 0 315.413 3.658 20 10 DHCDRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001203209050 1021870640 /nfs/dbraw/zinc/87/06/40/1021870640.db2.gz WTAUZEQVVGDXSZ-SFHVURJKSA-N 1 0 317.433 3.863 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264870 1022045510 /nfs/dbraw/zinc/04/55/10/1022045510.db2.gz GDIXZZOXJPQQBU-VXGBXAGGSA-N 1 0 317.351 3.859 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)ccc1N(C)C ZINC000852083844 1022068646 /nfs/dbraw/zinc/06/86/46/1022068646.db2.gz MHVMSDNISFZKAG-SFHVURJKSA-N 1 0 309.457 3.836 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000920181081 1022071291 /nfs/dbraw/zinc/07/12/91/1022071291.db2.gz XAPHZQXXTCAYCW-WMZOPIPTSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920181673 1022071741 /nfs/dbraw/zinc/07/17/41/1022071741.db2.gz IDATUOBPDNWQKU-INIZCTEOSA-N 1 0 311.425 3.795 20 10 DHCDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920181674 1022072157 /nfs/dbraw/zinc/07/21/57/1022072157.db2.gz IDATUOBPDNWQKU-MRXNPFEDSA-N 1 0 311.425 3.795 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000920183093 1022072414 /nfs/dbraw/zinc/07/24/14/1022072414.db2.gz BILZGDPYUCFWHM-CQSZACIVSA-N 1 0 317.433 3.721 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000852219644 1022090317 /nfs/dbraw/zinc/09/03/17/1022090317.db2.gz RNDADMWCGUUTBN-PXNSSMCTSA-N 1 0 314.473 3.676 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1O ZINC000180459950 1022143127 /nfs/dbraw/zinc/14/31/27/1022143127.db2.gz XXXVPOUFJJHYMI-GOSISDBHSA-N 1 0 309.409 3.938 20 10 DHCDRO Cc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1Cl ZINC000852837054 1022181319 /nfs/dbraw/zinc/18/13/19/1022181319.db2.gz PDXJKHHHXYJKJU-UHFFFAOYSA-N 1 0 314.816 3.571 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000183556741 1022190352 /nfs/dbraw/zinc/19/03/52/1022190352.db2.gz VNHAMSFLYVFHOV-MLGOLLRUSA-N 1 0 313.422 3.991 20 10 DHCDRO CCc1cc(NCc2cc(Cl)c3cccnc3c2O)cc[nH+]1 ZINC001168526551 1022210618 /nfs/dbraw/zinc/21/06/18/1022210618.db2.gz YIKLBSRTIKTDIZ-UHFFFAOYSA-N 1 0 313.788 3.585 20 10 DHCDRO CC1(C)C[C@@]1([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000853091649 1022218808 /nfs/dbraw/zinc/21/88/08/1022218808.db2.gz MBVHBAQADHPFIR-LJQANCHMSA-N 1 0 311.381 3.536 20 10 DHCDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N2CCCCCC2)cc1 ZINC000853238303 1022238931 /nfs/dbraw/zinc/23/89/31/1022238931.db2.gz FMWDPWMBQXLISU-MRXNPFEDSA-N 1 0 308.441 3.704 20 10 DHCDRO CC[C@H]1C[C@@H](C[N@H+](CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780754120 1022246726 /nfs/dbraw/zinc/24/67/26/1022246726.db2.gz MUCHSJNWVBJDKO-HKUYNNGSSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1ccccc1C[N@H+](CCc1ccncc1)Cc1ccco1 ZINC000111232771 1022253603 /nfs/dbraw/zinc/25/36/03/1022253603.db2.gz ULWNSQKCTZYGPZ-UHFFFAOYSA-N 1 0 308.381 3.625 20 10 DHCDRO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542856 1022290236 /nfs/dbraw/zinc/29/02/36/1022290236.db2.gz VJXSBMXNXZEPHZ-ZDUSSCGKSA-N 1 0 319.445 3.539 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c1O ZINC000853629399 1022300319 /nfs/dbraw/zinc/30/03/19/1022300319.db2.gz JMIFRGMGJMMUGV-IBGZPJMESA-N 1 0 324.424 3.831 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000853628872 1022303134 /nfs/dbraw/zinc/30/31/34/1022303134.db2.gz DTUYQBAJBAKGTB-AWEZNQCLSA-N 1 0 313.397 3.665 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(F)ccc1O ZINC000363882990 1022375951 /nfs/dbraw/zinc/37/59/51/1022375951.db2.gz GCHLWDCFELLIBQ-ZUZCIYMTSA-N 1 0 305.324 3.845 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185228283 1022467610 /nfs/dbraw/zinc/46/76/10/1022467610.db2.gz XVMRLGLVQARBMC-CJNGLKHVSA-N 1 0 320.408 3.858 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc3cccnc32)c1 ZINC000273380866 1022536930 /nfs/dbraw/zinc/53/69/30/1022536930.db2.gz IFSCAVHFNMAQCC-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc2ccccc2c1O ZINC000273528170 1022540790 /nfs/dbraw/zinc/54/07/90/1022540790.db2.gz VWSSFLIRRSMCJA-CQSZACIVSA-N 1 0 301.430 3.995 20 10 DHCDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186639612 1022592206 /nfs/dbraw/zinc/59/22/06/1022592206.db2.gz PTWBDACQMNAERO-HNNXBMFYSA-N 1 0 308.441 3.892 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1F ZINC000776800765 1022610396 /nfs/dbraw/zinc/61/03/96/1022610396.db2.gz VOWUJCJVTGEDKQ-UHFFFAOYSA-N 1 0 310.775 3.974 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000180027133 1022610798 /nfs/dbraw/zinc/61/07/98/1022610798.db2.gz OZLZYKMMOUHWGY-CQSZACIVSA-N 1 0 301.361 3.529 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068478651 1022650765 /nfs/dbraw/zinc/65/07/65/1022650765.db2.gz VUFSPFHACILHNW-KRWDZBQOSA-N 1 0 310.441 3.682 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)CCO2 ZINC000767188914 1022658770 /nfs/dbraw/zinc/65/87/70/1022658770.db2.gz MQNYXQSYXHMDKH-HNNXBMFYSA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1O ZINC000180243157 1022672852 /nfs/dbraw/zinc/67/28/52/1022672852.db2.gz DWYJICUHKCHPKA-LJQANCHMSA-N 1 0 311.425 3.573 20 10 DHCDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876523513 1033082336 /nfs/dbraw/zinc/08/23/36/1033082336.db2.gz YKOIVNVLAJHESV-MRXNPFEDSA-N 1 0 316.489 3.657 20 10 DHCDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000068973647 1022824499 /nfs/dbraw/zinc/82/44/99/1022824499.db2.gz OIBNJDHDIOSYMR-UHFFFAOYSA-N 1 0 306.387 3.774 20 10 DHCDRO CC(C)[C@H](C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876523512 1033083779 /nfs/dbraw/zinc/08/37/79/1033083779.db2.gz YKOIVNVLAJHESV-INIZCTEOSA-N 1 0 316.489 3.657 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCCCC1CCCC1 ZINC000742387874 1022827152 /nfs/dbraw/zinc/82/71/52/1022827152.db2.gz KEYCJLUJBSRWHZ-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC000876552922 1033088284 /nfs/dbraw/zinc/08/82/84/1033088284.db2.gz IFRINBGKNBIANC-UHFFFAOYSA-N 1 0 316.489 3.802 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)CCO2 ZINC000768134288 1022902143 /nfs/dbraw/zinc/90/21/43/1022902143.db2.gz RPSOOWFHHNIXNN-UHFFFAOYSA-N 1 0 310.441 3.710 20 10 DHCDRO COCC[N@H+](Cc1cccs1)Cc1c(O)cccc1Cl ZINC000768199072 1022914632 /nfs/dbraw/zinc/91/46/32/1022914632.db2.gz XOFPMYZCVAMYKK-UHFFFAOYSA-N 1 0 311.834 3.756 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn3ccccc23)cc1 ZINC000768209033 1022915238 /nfs/dbraw/zinc/91/52/38/1022915238.db2.gz XKGPDKHMLGGCHN-UHFFFAOYSA-N 1 0 322.456 3.813 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1COC(C)(C)C1 ZINC001172280428 1033092201 /nfs/dbraw/zinc/09/22/01/1033092201.db2.gz QNQXPNKXYLPXJD-CXAGYDPISA-N 1 0 303.446 3.790 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](CCOC)Cc2cccs2)c1 ZINC000768197310 1022924920 /nfs/dbraw/zinc/92/49/20/1022924920.db2.gz JPUXKTXYTOIBFM-UHFFFAOYSA-N 1 0 321.442 3.501 20 10 DHCDRO OCCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768236216 1022929353 /nfs/dbraw/zinc/92/93/53/1022929353.db2.gz BVAXEHJELDPDCE-UHFFFAOYSA-N 1 0 311.425 3.654 20 10 DHCDRO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000768262169 1022935583 /nfs/dbraw/zinc/93/55/83/1022935583.db2.gz HHBYMUVQIZNGDG-NSHDSACASA-N 1 0 319.788 3.967 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000857081662 1022947052 /nfs/dbraw/zinc/94/70/52/1022947052.db2.gz PXXGGTQLUFDEPH-NXEZZACHSA-N 1 0 304.217 3.635 20 10 DHCDRO CCCCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000768333610 1022947350 /nfs/dbraw/zinc/94/73/50/1022947350.db2.gz HHLHLULGDJGYJQ-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000184529452 1022961057 /nfs/dbraw/zinc/96/10/57/1022961057.db2.gz RZDPHSMMSZDGJN-HNNXBMFYSA-N 1 0 320.452 3.629 20 10 DHCDRO COc1cc(O)c(C[N@H+](C2CC2)C2CCC(C)CC2)cc1OC ZINC000768438540 1022965720 /nfs/dbraw/zinc/96/57/20/1022965720.db2.gz BISBKVKWEVMXIE-UHFFFAOYSA-N 1 0 319.445 3.953 20 10 DHCDRO COc1cc(O)c(C[N@H+](CC(C)C)C2CCCC2)cc1OC ZINC000768440248 1022967621 /nfs/dbraw/zinc/96/76/21/1022967621.db2.gz PNHYGWAZBAWFQN-UHFFFAOYSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[N@H+](C)CCc2ccc(F)cc2)c(O)cc1C ZINC000768442195 1022969039 /nfs/dbraw/zinc/96/90/39/1022969039.db2.gz KIWCNEMXCDUMOI-UHFFFAOYSA-N 1 0 303.377 3.523 20 10 DHCDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464739 1022973572 /nfs/dbraw/zinc/97/35/72/1022973572.db2.gz TVBUPNFPPVOXCN-CRAIPNDOSA-N 1 0 319.445 3.609 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000368651085 1022995276 /nfs/dbraw/zinc/99/52/76/1022995276.db2.gz FWMLFBYDDJNUEZ-MZPVMMEZSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000123425112 1023036913 /nfs/dbraw/zinc/03/69/13/1023036913.db2.gz IKZLLICGPZXHBV-GJYPPUQNSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000123425317 1023037879 /nfs/dbraw/zinc/03/78/79/1023037879.db2.gz IKZLLICGPZXHBV-BXWFABGCSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCCOc2ccccc2)c1 ZINC000768823389 1023038001 /nfs/dbraw/zinc/03/80/01/1023038001.db2.gz AZVUFFWJHZCEJA-UHFFFAOYSA-N 1 0 315.413 3.692 20 10 DHCDRO CCOc1cccc(C[N@H+](C)CCCOc2ccccc2)c1O ZINC000768828143 1023040326 /nfs/dbraw/zinc/04/03/26/1023040326.db2.gz ZWBCPXSYOQKIFW-UHFFFAOYSA-N 1 0 315.413 3.692 20 10 DHCDRO CCOc1ccc(C[N@H+](C)CCCOc2ccccc2)c(O)c1 ZINC000768826942 1023040534 /nfs/dbraw/zinc/04/05/34/1023040534.db2.gz QEOBRLYUCUPOLQ-UHFFFAOYSA-N 1 0 315.413 3.692 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000768913005 1023055183 /nfs/dbraw/zinc/05/51/83/1023055183.db2.gz PNBAOELGKURENL-MRXNPFEDSA-N 1 0 315.388 3.747 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000768913753 1023055934 /nfs/dbraw/zinc/05/59/34/1023055934.db2.gz RTRCGMKGXNNYLI-QKLQHJQFSA-N 1 0 315.505 3.590 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000769033625 1023071255 /nfs/dbraw/zinc/07/12/55/1023071255.db2.gz JAUIJDIDVFZNBE-IBGZPJMESA-N 1 0 311.425 3.882 20 10 DHCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1OCCc2ccccc21 ZINC000769021459 1023071969 /nfs/dbraw/zinc/07/19/69/1023071969.db2.gz JTMAZRMKEYNHJN-SFHVURJKSA-N 1 0 317.816 3.791 20 10 DHCDRO CCc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000768997213 1023075349 /nfs/dbraw/zinc/07/53/49/1023075349.db2.gz AYVODBKSXWZSTR-UHFFFAOYSA-N 1 0 314.429 3.563 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363706 1023089586 /nfs/dbraw/zinc/08/95/86/1023089586.db2.gz OBEWZDVNMOMVNV-UYAOXDASSA-N 1 0 321.424 3.956 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315193 1023120873 /nfs/dbraw/zinc/12/08/73/1023120873.db2.gz HGLHNOIXGQVFNA-HXUWFJFHSA-N 1 0 310.441 3.716 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000769340320 1023129598 /nfs/dbraw/zinc/12/95/98/1023129598.db2.gz WDXJJTYKMKTOKQ-OAHLLOKOSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000769390591 1023139617 /nfs/dbraw/zinc/13/96/17/1023139617.db2.gz ZJMXCKNXDRHEHH-LBPRGKRZSA-N 1 0 305.805 3.814 20 10 DHCDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769402606 1023141540 /nfs/dbraw/zinc/14/15/40/1023141540.db2.gz MTFYRGZSELZHFS-QGZVFWFLSA-N 1 0 320.452 3.530 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000769425061 1023146187 /nfs/dbraw/zinc/14/61/87/1023146187.db2.gz OEFNSPQUYRZTDO-LBPRGKRZSA-N 1 0 301.361 3.659 20 10 DHCDRO COc1cccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)c1O ZINC000769425403 1023146766 /nfs/dbraw/zinc/14/67/66/1023146766.db2.gz PKXBSHGBFWBSJT-LBPRGKRZSA-N 1 0 301.361 3.659 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1)OCO2 ZINC000769428597 1023147628 /nfs/dbraw/zinc/14/76/28/1023147628.db2.gz UKCHIZFTHYAGDG-CQSZACIVSA-N 1 0 315.369 3.831 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000769481887 1023152944 /nfs/dbraw/zinc/15/29/44/1023152944.db2.gz ANRPKFDXLQNIKQ-PXNSSMCTSA-N 1 0 317.521 3.695 20 10 DHCDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CCC1 ZINC000769467344 1023162068 /nfs/dbraw/zinc/16/20/68/1023162068.db2.gz UXFYAYGVCNWVNP-UHFFFAOYSA-N 1 0 314.223 3.538 20 10 DHCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000769498012 1023166908 /nfs/dbraw/zinc/16/69/08/1023166908.db2.gz JKSIYMGAWWSQDT-IBGZPJMESA-N 1 0 313.441 3.782 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000769526195 1023173532 /nfs/dbraw/zinc/17/35/32/1023173532.db2.gz ZQCOXFOHNBVVCO-UHFFFAOYSA-N 1 0 317.502 3.972 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769559525 1023180128 /nfs/dbraw/zinc/18/01/28/1023180128.db2.gz NCQRFLSIZWVYEY-LLVKDONJSA-N 1 0 307.315 3.799 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1c(C)nn(C)c1C ZINC000756614881 1023196842 /nfs/dbraw/zinc/19/68/42/1023196842.db2.gz BSAXVUDBEXTETJ-ZUZCIYMTSA-N 1 0 305.397 3.684 20 10 DHCDRO Oc1ccccc1C[N@H+](CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000769726162 1023201409 /nfs/dbraw/zinc/20/14/09/1023201409.db2.gz RRGFYRHIQABZTJ-LJQANCHMSA-N 1 0 319.445 3.680 20 10 DHCDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000162765554 1023209717 /nfs/dbraw/zinc/20/97/17/1023209717.db2.gz NTJVRFQAUOOOFJ-QFBILLFUSA-N 1 0 304.478 3.735 20 10 DHCDRO C[N@H+](CCOCc1ccccc1)Cc1cc(Cl)ccc1O ZINC000770306831 1023294954 /nfs/dbraw/zinc/29/49/54/1023294954.db2.gz QZHKBEDAHMKFRU-UHFFFAOYSA-N 1 0 305.805 3.694 20 10 DHCDRO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3O)[C@H](C)CO2)c1 ZINC000770506158 1023316160 /nfs/dbraw/zinc/31/61/60/1023316160.db2.gz VTTXOYCJTWBZPQ-OXQOHEQNSA-N 1 0 311.425 3.971 20 10 DHCDRO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3O)[C@H](C)CO2)c1 ZINC000770506159 1023316971 /nfs/dbraw/zinc/31/69/71/1023316971.db2.gz VTTXOYCJTWBZPQ-UZLBHIALSA-N 1 0 311.425 3.971 20 10 DHCDRO COc1cccc(O)c1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000771934829 1023489233 /nfs/dbraw/zinc/48/92/33/1023489233.db2.gz AUUJVWHZWOQZQW-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000876778918 1033141987 /nfs/dbraw/zinc/14/19/87/1033141987.db2.gz RZBNAXDDRIIHML-DYVFJYSZSA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000786583217 1023709047 /nfs/dbraw/zinc/70/90/47/1023709047.db2.gz OYRJKUHZAUJVAM-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO CC[NH+](CC)Cc1ccc(NCc2c(O)cccc2OC)cc1 ZINC000786827748 1023727125 /nfs/dbraw/zinc/72/71/25/1023727125.db2.gz PLVIDENIBPCGOQ-UHFFFAOYSA-N 1 0 314.429 3.855 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCSc1nccs1 ZINC000786829165 1023727391 /nfs/dbraw/zinc/72/73/91/1023727391.db2.gz JSDAUZYVGYPAIB-DZGCQCFKSA-N 1 0 322.499 3.991 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1 ZINC000190234038 1023759355 /nfs/dbraw/zinc/75/93/55/1023759355.db2.gz CBYMSISBBARZSU-LJQANCHMSA-N 1 0 304.478 3.517 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(F)ccc1O ZINC000756779548 1023797744 /nfs/dbraw/zinc/79/77/44/1023797744.db2.gz SDHBDIPYYXJXDY-ZEQHWRKHSA-N 1 0 313.463 3.562 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000788259636 1023865867 /nfs/dbraw/zinc/86/58/67/1023865867.db2.gz OCZCUOPNJUMAHR-GOEBONIOSA-N 1 0 301.434 3.525 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000788532801 1023906769 /nfs/dbraw/zinc/90/67/69/1023906769.db2.gz UQDUJQIAJURYHD-LJQANCHMSA-N 1 0 323.484 3.759 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788584102 1023908784 /nfs/dbraw/zinc/90/87/84/1023908784.db2.gz MWXARQCDCDRNPU-CQSZACIVSA-N 1 0 319.811 3.717 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1 ZINC000788758415 1023929723 /nfs/dbraw/zinc/92/97/23/1023929723.db2.gz PPGRQZJDWFHSDJ-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788758852 1023930027 /nfs/dbraw/zinc/93/00/27/1023930027.db2.gz RNGAVFOYHJQDIT-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1 ZINC000788765364 1023930982 /nfs/dbraw/zinc/93/09/82/1023930982.db2.gz NIDSBUGRFCURAO-UZLBHIALSA-N 1 0 313.441 3.957 20 10 DHCDRO CCC(CC)(C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(=O)OC ZINC000788738988 1023933181 /nfs/dbraw/zinc/93/31/81/1023933181.db2.gz MJDOTBVKRZWYCY-CQSZACIVSA-N 1 0 307.434 3.639 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1 ZINC000788774275 1023937477 /nfs/dbraw/zinc/93/74/77/1023937477.db2.gz FQJOJVPBWHJYLW-RDJZCZTQSA-N 1 0 302.462 3.677 20 10 DHCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000194302944 1023995559 /nfs/dbraw/zinc/99/55/59/1023995559.db2.gz HBITXDXAVKAZQM-UHFFFAOYSA-N 1 0 310.445 3.510 20 10 DHCDRO CC[C@@H](CC(C)C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172394226 1033178600 /nfs/dbraw/zinc/17/86/00/1033178600.db2.gz OYZBVLHQHSSLGS-KRWDZBQOSA-N 1 0 304.478 3.771 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000186143529 1024055959 /nfs/dbraw/zinc/05/59/59/1024055959.db2.gz UBWORYCDCYDUQF-ZFWWWQNUSA-N 1 0 301.430 3.993 20 10 DHCDRO OC[C@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000268235258 1024089281 /nfs/dbraw/zinc/08/92/81/1024089281.db2.gz GMIHXNGJCOKWJS-RHDGDCLCSA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000789506803 1024104871 /nfs/dbraw/zinc/10/48/71/1024104871.db2.gz NPTOLEPEWTZIJA-MJGOQNOKSA-N 1 0 303.446 3.967 20 10 DHCDRO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(N(C)C)cc1 ZINC000789724590 1024155910 /nfs/dbraw/zinc/15/59/10/1024155910.db2.gz VKIOSIQJVFUMIX-UHFFFAOYSA-N 1 0 324.428 3.758 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000268774815 1024158470 /nfs/dbraw/zinc/15/84/70/1024158470.db2.gz AUYMUBKJXFDAHS-AWEZNQCLSA-N 1 0 312.461 3.790 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC(C)(C)CC2)c1O ZINC000789763948 1024158819 /nfs/dbraw/zinc/15/88/19/1024158819.db2.gz SEAUIEHHNJUTFT-UHFFFAOYSA-N 1 0 315.866 3.772 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268785066 1024160349 /nfs/dbraw/zinc/16/03/49/1024160349.db2.gz ZQSSMXNFGGKSSP-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000130457957 1024166936 /nfs/dbraw/zinc/16/69/36/1024166936.db2.gz XJFXZXRAGQCGAL-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000130472733 1024169896 /nfs/dbraw/zinc/16/98/96/1024169896.db2.gz AVYDFEYZKUSLDA-MAUKXSAKSA-N 1 0 316.445 3.728 20 10 DHCDRO CSc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000882943078 1024178632 /nfs/dbraw/zinc/17/86/32/1024178632.db2.gz DFUSFPDUJZJXCF-UHFFFAOYSA-N 1 0 302.443 3.674 20 10 DHCDRO COc1ccc2nc(C[N@H+](C)Cc3ccccc3O)sc2c1 ZINC000187246243 1024220850 /nfs/dbraw/zinc/22/08/50/1024220850.db2.gz YBVGZRSENITAMP-UHFFFAOYSA-N 1 0 314.410 3.643 20 10 DHCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000130916564 1024229201 /nfs/dbraw/zinc/22/92/01/1024229201.db2.gz MOHOJMFJWGFQBU-CQSZACIVSA-N 1 0 309.475 3.723 20 10 DHCDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269052619 1024230606 /nfs/dbraw/zinc/23/06/06/1024230606.db2.gz ZVRVRIGULKUUFI-HUUCEWRRSA-N 1 0 308.441 3.628 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c(O)c1C ZINC000790700008 1024356739 /nfs/dbraw/zinc/35/67/39/1024356739.db2.gz APSYUAPZBKCLBD-DNVCBOLYSA-N 1 0 305.462 3.991 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C(C)(C)O1 ZINC000790988848 1024412006 /nfs/dbraw/zinc/41/20/06/1024412006.db2.gz CVENEKUGWMMXKV-LBPRGKRZSA-N 1 0 301.789 3.620 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383033 1024415298 /nfs/dbraw/zinc/41/52/98/1024415298.db2.gz RSHUWMYFPQDVIF-HKUYNNGSSA-N 1 0 315.388 3.906 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1C ZINC000790995102 1024415583 /nfs/dbraw/zinc/41/55/83/1024415583.db2.gz LGLSVZFEULDEPF-QGZVFWFLSA-N 1 0 303.446 3.981 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388075 1024422564 /nfs/dbraw/zinc/42/25/64/1024422564.db2.gz LRJRXAUCWFUSHE-ZWKOTPCHSA-N 1 0 319.408 3.607 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000271028215 1024445860 /nfs/dbraw/zinc/44/58/60/1024445860.db2.gz FRHPPDKFHAJDRJ-UHFFFAOYSA-N 1 0 319.408 3.866 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CC2 ZINC000132194860 1024458879 /nfs/dbraw/zinc/45/88/79/1024458879.db2.gz FOJAANFGUCPWBG-HNNXBMFYSA-N 1 0 320.483 3.911 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000791450349 1024500763 /nfs/dbraw/zinc/50/07/63/1024500763.db2.gz XCDINVCDKDSLAM-HXUWFJFHSA-N 1 0 312.457 3.697 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC000271539966 1024535331 /nfs/dbraw/zinc/53/53/31/1024535331.db2.gz UDZAYNNGNHALIN-MRXNPFEDSA-N 1 0 303.475 3.883 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccccc1O ZINC000271681641 1024561053 /nfs/dbraw/zinc/56/10/53/1024561053.db2.gz ILWDVZAMTJTMBI-AWEZNQCLSA-N 1 0 306.793 3.690 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000792164751 1024638475 /nfs/dbraw/zinc/63/84/75/1024638475.db2.gz DKOYUDMZKNYUGR-MRXNPFEDSA-N 1 0 313.800 3.577 20 10 DHCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166732580 1024640664 /nfs/dbraw/zinc/64/06/64/1024640664.db2.gz SAZHOFQAHBTWKF-SJORKVTESA-N 1 0 304.478 3.736 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000317808267 1024643053 /nfs/dbraw/zinc/64/30/53/1024643053.db2.gz GHZPSAPEZYLEQF-UHFFFAOYSA-N 1 0 317.816 3.655 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000166947719 1024662372 /nfs/dbraw/zinc/66/23/72/1024662372.db2.gz MYCUOLBNFMOUPY-ZDUSSCGKSA-N 1 0 301.434 3.716 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000318069127 1024683259 /nfs/dbraw/zinc/68/32/59/1024683259.db2.gz QPDGUIPPQBCSOZ-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000109769435 1024695678 /nfs/dbraw/zinc/69/56/78/1024695678.db2.gz WIKODEZURXAGBN-UHFFFAOYSA-N 1 0 323.396 3.507 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000079723876 1024717288 /nfs/dbraw/zinc/71/72/88/1024717288.db2.gz SVFWWAQVRKHCLW-CYBMUJFWSA-N 1 0 300.358 3.763 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713519 1024767979 /nfs/dbraw/zinc/76/79/79/1024767979.db2.gz BVSIHUKQWMVJOS-UGSOOPFHSA-N 1 0 314.477 3.905 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713941 1024768800 /nfs/dbraw/zinc/76/88/00/1024768800.db2.gz BVSIHUKQWMVJOS-ACJLOTCBSA-N 1 0 314.477 3.905 20 10 DHCDRO Cc1[nH+]ccc(NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000792688805 1024783289 /nfs/dbraw/zinc/78/32/89/1024783289.db2.gz IOLLCAACSGUSNA-UHFFFAOYSA-N 1 0 301.821 3.678 20 10 DHCDRO C[C@H]([NH2+]CCCN1CCc2ccccc21)c1cc(F)ccc1O ZINC000321330730 1024821637 /nfs/dbraw/zinc/82/16/37/1024821637.db2.gz CIWWPJSMDWTVIL-AWEZNQCLSA-N 1 0 314.404 3.635 20 10 DHCDRO Cc1cncc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000793032236 1024864611 /nfs/dbraw/zinc/86/46/11/1024864611.db2.gz VXYDPNQWRKKNMZ-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000747100730 1024869662 /nfs/dbraw/zinc/86/96/62/1024869662.db2.gz PZRXJCYYXBKBOJ-ZWKOTPCHSA-N 1 0 324.468 3.805 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000747100729 1024869814 /nfs/dbraw/zinc/86/98/14/1024869814.db2.gz PZRXJCYYXBKBOJ-ROUUACIJSA-N 1 0 324.468 3.805 20 10 DHCDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000747100432 1024884607 /nfs/dbraw/zinc/88/46/07/1024884607.db2.gz ZCMYZCKQXGPHSB-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(O)c1 ZINC000877119214 1033243294 /nfs/dbraw/zinc/24/32/94/1033243294.db2.gz VBXOUUHXRNQAQP-APWZRJJASA-N 1 0 311.425 3.958 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2ccc(C)cc2O)c(C)n1 ZINC000877125783 1033247322 /nfs/dbraw/zinc/24/73/22/1033247322.db2.gz ACBCQWOPKDVDEW-UHFFFAOYSA-N 1 0 301.434 3.686 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000793230074 1024943414 /nfs/dbraw/zinc/94/34/14/1024943414.db2.gz DXPOFWQOCXJKTC-GWCFXTLKSA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231127 1024945311 /nfs/dbraw/zinc/94/53/11/1024945311.db2.gz LBSHKBYRJIVZOH-CMPLNLGQSA-N 1 0 304.331 3.664 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793267221 1024967069 /nfs/dbraw/zinc/96/70/69/1024967069.db2.gz AQBYLKZNWCVSSD-ZBFHGGJFSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793267169 1024968496 /nfs/dbraw/zinc/96/84/96/1024968496.db2.gz AQBYLKZNWCVSSD-GDBMZVCRSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000793309918 1024980231 /nfs/dbraw/zinc/98/02/31/1024980231.db2.gz TVTZWJDPXXPUPZ-QGZVFWFLSA-N 1 0 301.361 3.707 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000793350766 1025022521 /nfs/dbraw/zinc/02/25/21/1025022521.db2.gz HEUAUFPSMSWECG-WMLDXEAASA-N 1 0 315.388 3.966 20 10 DHCDRO CCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159482065 1025057319 /nfs/dbraw/zinc/05/73/19/1025057319.db2.gz LXDPRPIKIHEQGL-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1O ZINC000279563539 1025074534 /nfs/dbraw/zinc/07/45/34/1025074534.db2.gz SDXQJECPEVBPGH-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@H](C[NH2+]Cc2c(C)cccc2O)N2CCCC2)o1 ZINC000877146896 1033259438 /nfs/dbraw/zinc/25/94/38/1033259438.db2.gz LXBRKORPONOMLZ-KRWDZBQOSA-N 1 0 314.429 3.529 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000793607545 1025126563 /nfs/dbraw/zinc/12/65/63/1025126563.db2.gz AMQVVONXLNLKAW-UXHICEINSA-N 1 0 314.473 3.820 20 10 DHCDRO c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCCC2)cc1 ZINC000107828044 1025129604 /nfs/dbraw/zinc/12/96/04/1025129604.db2.gz FUTPWVFMQQZUCH-FQEVSTJZSA-N 1 0 322.452 3.548 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc2O1 ZINC000793766050 1025156583 /nfs/dbraw/zinc/15/65/83/1025156583.db2.gz FUHNTQHHDKNEBB-CQSZACIVSA-N 1 0 320.392 3.724 20 10 DHCDRO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1cc(F)ccc1O ZINC000321702596 1025169808 /nfs/dbraw/zinc/16/98/08/1025169808.db2.gz PQRZVQLKEMUNFD-CYBMUJFWSA-N 1 0 318.392 3.645 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccccc2O)ccc1Br ZINC000135475553 1025234395 /nfs/dbraw/zinc/23/43/95/1025234395.db2.gz PRCHVHYGIDDGQF-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(C)c3)CC2)cc1 ZINC000108088214 1025318239 /nfs/dbraw/zinc/31/82/39/1025318239.db2.gz UGJROTUUDXDXOC-UHFFFAOYSA-N 1 0 310.441 3.716 20 10 DHCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877313457 1033281125 /nfs/dbraw/zinc/28/11/25/1033281125.db2.gz UIXSSTDMAKZQDK-QGZVFWFLSA-N 1 0 316.489 3.516 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000236850603 1025428319 /nfs/dbraw/zinc/42/83/19/1025428319.db2.gz KWWBVZHCHCYZDN-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1F ZINC000136747764 1025481730 /nfs/dbraw/zinc/48/17/30/1025481730.db2.gz AAMHGJSJZQHELY-INIZCTEOSA-N 1 0 320.452 3.863 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CSC)c1cc(Br)ccc1O ZINC000137415110 1025565972 /nfs/dbraw/zinc/56/59/72/1025565972.db2.gz DDCLPTXWXJPBHK-BXKDBHETSA-N 1 0 318.280 3.947 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc2c[nH]nc21 ZINC000355129341 1025612196 /nfs/dbraw/zinc/61/21/96/1025612196.db2.gz WVNWMLVMEKISHW-UHFFFAOYSA-N 1 0 304.397 3.653 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1F ZINC000924861941 1025741748 /nfs/dbraw/zinc/74/17/48/1025741748.db2.gz MKLIUTROOYVZJZ-HNNXBMFYSA-N 1 0 319.811 3.717 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cc2c(cc1O)CCCC2 ZINC000886684253 1025785568 /nfs/dbraw/zinc/78/55/68/1025785568.db2.gz IIHFHGSZMVTOCE-GFCCVEGCSA-N 1 0 312.413 3.987 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000806172149 1025797684 /nfs/dbraw/zinc/79/76/84/1025797684.db2.gz GRMWZBGATQLALW-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO COc1c(Cl)cccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000897482671 1025864146 /nfs/dbraw/zinc/86/41/46/1025864146.db2.gz DXJOEVHJFSYWMG-UHFFFAOYSA-N 1 0 304.821 3.704 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000886774850 1025893278 /nfs/dbraw/zinc/89/32/78/1025893278.db2.gz WSIMFKUSURUFQP-SUMWQHHRSA-N 1 0 307.409 3.921 20 10 DHCDRO COc1cccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1O ZINC000077467857 1025900002 /nfs/dbraw/zinc/90/00/02/1025900002.db2.gz LZATXWPDQXDFOS-UHFFFAOYSA-N 1 0 303.789 3.833 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000236969242 1025952385 /nfs/dbraw/zinc/95/23/85/1025952385.db2.gz HWHQBMYFKQLOFB-FQEVSTJZSA-N 1 0 324.468 3.982 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000089513338 1026054700 /nfs/dbraw/zinc/05/47/00/1026054700.db2.gz ZODDRJZAKULLCI-GOSISDBHSA-N 1 0 313.401 3.902 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2COc3c2ccc(C)c3C)c1O ZINC000894136668 1026116431 /nfs/dbraw/zinc/11/64/31/1026116431.db2.gz ANFSWAMGLMAWIC-INIZCTEOSA-N 1 0 313.397 3.549 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289661768 1026120291 /nfs/dbraw/zinc/12/02/91/1026120291.db2.gz GTXOJQQTTCDOKV-QSFXBCCZSA-N 1 0 311.425 3.517 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)c(O)c1 ZINC000093807321 1026128971 /nfs/dbraw/zinc/12/89/71/1026128971.db2.gz PEAMBIYSDOIOML-UHFFFAOYSA-N 1 0 320.458 3.620 20 10 DHCDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000289812993 1026185633 /nfs/dbraw/zinc/18/56/33/1026185633.db2.gz IYBZFDXCMOOWSB-UHFFFAOYSA-N 1 0 312.461 3.777 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000289811694 1026186104 /nfs/dbraw/zinc/18/61/04/1026186104.db2.gz SXFOHSOWZGTJMO-HSALFYBXSA-N 1 0 323.436 3.705 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1C(C)C ZINC000808191487 1026224484 /nfs/dbraw/zinc/22/44/84/1026224484.db2.gz MSIJMAXQWMIBTI-APWZRJJASA-N 1 0 316.489 3.883 20 10 DHCDRO Cc1cc(C[N@@H+](C(C)C)C2COC2)ccc1N1CCCCC1 ZINC001170550872 1026266622 /nfs/dbraw/zinc/26/66/22/1026266622.db2.gz UCKOBVUDBPYNNY-UHFFFAOYSA-N 1 0 302.462 3.595 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1F ZINC000808429448 1026300804 /nfs/dbraw/zinc/30/08/04/1026300804.db2.gz CKLSZUVCQIXNRB-HNNXBMFYSA-N 1 0 310.482 3.905 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000808430319 1026300932 /nfs/dbraw/zinc/30/09/32/1026300932.db2.gz FBDICSSXWBANQK-MRXNPFEDSA-N 1 0 319.832 3.523 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCC(F)(F)F)c1O ZINC000808682865 1026347808 /nfs/dbraw/zinc/34/78/08/1026347808.db2.gz XNRMISAHWDQZNL-SECBINFHSA-N 1 0 311.731 3.584 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1O ZINC000808692938 1026350466 /nfs/dbraw/zinc/35/04/66/1026350466.db2.gz XBUPNBJCXASGDS-WBMJQRKESA-N 1 0 311.853 3.946 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(SC)cc2)c1O ZINC000894203951 1026352575 /nfs/dbraw/zinc/35/25/75/1026352575.db2.gz YGGUPBNRNABNDS-UHFFFAOYSA-N 1 0 303.427 3.721 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cn3ccccc3n2)c1O ZINC000808672445 1026353848 /nfs/dbraw/zinc/35/38/48/1026353848.db2.gz OARWYOPUYGKWEH-LBPRGKRZSA-N 1 0 315.804 3.853 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000808672834 1026353917 /nfs/dbraw/zinc/35/39/17/1026353917.db2.gz SDHDRLGEYFQMLZ-WFASDCNBSA-N 1 0 322.836 3.901 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)ccn1 ZINC000808674102 1026354753 /nfs/dbraw/zinc/35/47/53/1026354753.db2.gz ACRXKYHMZCOUNT-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1O ZINC000808678045 1026356164 /nfs/dbraw/zinc/35/61/64/1026356164.db2.gz IXYZJYBYURRDAM-ZIAGYGMSSA-N 1 0 310.869 3.879 20 10 DHCDRO CC[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1O ZINC000808727757 1026357471 /nfs/dbraw/zinc/35/74/71/1026357471.db2.gz JMMRHXFOJDIUEH-WBVHZDCISA-N 1 0 315.388 3.884 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc32)c2c1c(F)ccc2O ZINC000808727779 1026359082 /nfs/dbraw/zinc/35/90/82/1026359082.db2.gz LUUVDAPIEMZDCX-XUJVJEKNSA-N 1 0 313.372 3.845 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000808728623 1026371411 /nfs/dbraw/zinc/37/14/11/1026371411.db2.gz SVXXMYAQLGGLEC-DOTOQJQBSA-N 1 0 310.441 3.970 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c1O ZINC000808695957 1026374151 /nfs/dbraw/zinc/37/41/51/1026374151.db2.gz QIDOURYFHOFSRH-PRWKNARSSA-N 1 0 317.882 3.552 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1O ZINC000808702405 1026375651 /nfs/dbraw/zinc/37/56/51/1026375651.db2.gz GXSYOZCLKLYLHE-DDUYRFODSA-N 1 0 309.837 3.962 20 10 DHCDRO Cc1cc(C[NH2+]CCCSc2nccs2)cc(C)c1O ZINC000809623422 1026576019 /nfs/dbraw/zinc/57/60/19/1026576019.db2.gz VRCKGCAOZWILNU-UHFFFAOYSA-N 1 0 308.472 3.738 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655324 1026582845 /nfs/dbraw/zinc/58/28/45/1026582845.db2.gz HPMIOOPDAZUCQR-LJQANCHMSA-N 1 0 313.441 3.858 20 10 DHCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700478 1026586967 /nfs/dbraw/zinc/58/69/67/1026586967.db2.gz HJLOGJGLSBXILM-RISCZKNCSA-N 1 0 315.816 3.700 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C)cc1O ZINC000280099242 1026593128 /nfs/dbraw/zinc/59/31/28/1026593128.db2.gz MYTMSLWYHQGEJK-MJGOQNOKSA-N 1 0 313.441 3.908 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1c(F)cncc1F ZINC000809715390 1026602041 /nfs/dbraw/zinc/60/20/41/1026602041.db2.gz ASGQSZLKDLGWRO-ZETCQYMHSA-N 1 0 316.710 3.709 20 10 DHCDRO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000809738935 1026610934 /nfs/dbraw/zinc/61/09/34/1026610934.db2.gz PTMZWXFRJBCNSG-UHFFFAOYSA-N 1 0 318.848 3.739 20 10 DHCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809764948 1026619932 /nfs/dbraw/zinc/61/99/32/1026619932.db2.gz JUHLDRNRJNSKKS-KRWDZBQOSA-N 1 0 301.409 3.870 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccnc2)c(O)c1 ZINC000809766091 1026620852 /nfs/dbraw/zinc/62/08/52/1026620852.db2.gz UQYQBFSJAHTOJA-CQSZACIVSA-N 1 0 300.402 3.769 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265627 1026622977 /nfs/dbraw/zinc/62/29/77/1026622977.db2.gz XMMSPSJRZOINCO-HOTGVXAUSA-N 1 0 321.367 3.753 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC000809782431 1026624249 /nfs/dbraw/zinc/62/42/49/1026624249.db2.gz TXUNGRABPUASGC-UHFFFAOYSA-N 1 0 324.415 3.533 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788472 1026627568 /nfs/dbraw/zinc/62/75/68/1026627568.db2.gz RNXPUTYVLZVKBL-ZBEGNZNMSA-N 1 0 303.789 3.966 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047907 1026669261 /nfs/dbraw/zinc/66/92/61/1026669261.db2.gz OWHGAHUOKRRUQI-OAQYLSRUSA-N 1 0 322.452 3.722 20 10 DHCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)OCCc2sccc21 ZINC000810170139 1026691418 /nfs/dbraw/zinc/69/14/18/1026691418.db2.gz FSSAMYZDZNBOBN-MRXNPFEDSA-N 1 0 323.845 3.685 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217209 1026710445 /nfs/dbraw/zinc/71/04/45/1026710445.db2.gz YTJVIYBOWNPJDI-WCQYABFASA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223059 1026711794 /nfs/dbraw/zinc/71/17/94/1026711794.db2.gz HCZFDSJIDVBGOL-ZWNOBZJWSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810222396 1026712151 /nfs/dbraw/zinc/71/21/51/1026712151.db2.gz RZTWLXUSCSHVAM-SMDDNHRTSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000810261690 1026720441 /nfs/dbraw/zinc/72/04/41/1026720441.db2.gz XVKZDGSUEQKKFM-GOEBONIOSA-N 1 0 308.441 3.892 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1C ZINC000810259549 1026721322 /nfs/dbraw/zinc/72/13/22/1026721322.db2.gz LRMAXJLAZBPMME-DOTOQJQBSA-N 1 0 311.425 3.972 20 10 DHCDRO CC[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237074 1026723988 /nfs/dbraw/zinc/72/39/88/1026723988.db2.gz DWFZSVAQBDOXGE-GXFFZTMASA-N 1 0 305.340 3.613 20 10 DHCDRO CSC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000811453172 1027004108 /nfs/dbraw/zinc/00/41/08/1027004108.db2.gz IHGRWCMPPHQEIB-INIZCTEOSA-N 1 0 321.486 3.659 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1F ZINC000811519433 1027020021 /nfs/dbraw/zinc/02/00/21/1027020021.db2.gz XIQLCDMDSJLQSH-GOSISDBHSA-N 1 0 322.468 3.559 20 10 DHCDRO Cc1cccc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1O ZINC000811508506 1027026911 /nfs/dbraw/zinc/02/69/11/1027026911.db2.gz UGWLEBWYHSCXSQ-GOSISDBHSA-N 1 0 308.425 3.685 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCC1(F)F ZINC000811779778 1027082816 /nfs/dbraw/zinc/08/28/16/1027082816.db2.gz SQXKGQCCTBWNEQ-LLVKDONJSA-N 1 0 313.388 3.872 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811784026 1027090090 /nfs/dbraw/zinc/09/00/90/1027090090.db2.gz LWRGIBFRDIHBMY-LJQANCHMSA-N 1 0 322.452 3.646 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](CC)c1ccccc1O ZINC000295196773 1027140521 /nfs/dbraw/zinc/14/05/21/1027140521.db2.gz YAZYIVOLWMCXBW-DGCLKSJQSA-N 1 0 305.340 3.790 20 10 DHCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000271791307 1027146861 /nfs/dbraw/zinc/14/68/61/1027146861.db2.gz GRDJWGLIEXUFKY-KUHUBIRLSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](c2ncccc2C)C(C)C)c1O ZINC000894269681 1027247429 /nfs/dbraw/zinc/24/74/29/1027247429.db2.gz SVAUULSGQSBOBD-KRWDZBQOSA-N 1 0 314.429 3.900 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000812772457 1027399255 /nfs/dbraw/zinc/39/92/55/1027399255.db2.gz VXYIEGAKAQEBIT-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000296285793 1027597238 /nfs/dbraw/zinc/59/72/38/1027597238.db2.gz HNGMHWHUWQYHHJ-MRXNPFEDSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C(C)C)s2)c1 ZINC000813331152 1027608692 /nfs/dbraw/zinc/60/86/92/1027608692.db2.gz MAKFDTLGVVIMQL-LLVKDONJSA-N 1 0 306.431 3.832 20 10 DHCDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331674 1027609429 /nfs/dbraw/zinc/60/94/29/1027609429.db2.gz QWPMJSUSNBZOJG-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c1O ZINC000813332191 1027609534 /nfs/dbraw/zinc/60/95/34/1027609534.db2.gz QTMJUCTZBNCVNX-UHFFFAOYSA-N 1 0 317.816 3.729 20 10 DHCDRO c1ccc(-c2ccncc2)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000363518883 1027660905 /nfs/dbraw/zinc/66/09/05/1027660905.db2.gz AITXZADADXGPDL-UHFFFAOYSA-N 1 0 316.404 3.973 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1F ZINC000363532258 1027664887 /nfs/dbraw/zinc/66/48/87/1027664887.db2.gz HWRQAANJYVCRAO-INIZCTEOSA-N 1 0 316.424 3.562 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000296619039 1027686887 /nfs/dbraw/zinc/68/68/87/1027686887.db2.gz UPYKDGQZZMWMKE-MRXNPFEDSA-N 1 0 302.462 3.534 20 10 DHCDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159157952 1027742008 /nfs/dbraw/zinc/74/20/08/1027742008.db2.gz FBGPIEQWZYGJGY-SJLPKXTDSA-N 1 0 304.478 3.879 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813884345 1027749495 /nfs/dbraw/zinc/74/94/95/1027749495.db2.gz TVIQRGZAUZTPGH-LSDHHAIUSA-N 1 0 314.404 3.769 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813884343 1027750746 /nfs/dbraw/zinc/75/07/46/1027750746.db2.gz TVIQRGZAUZTPGH-HUUCEWRRSA-N 1 0 314.404 3.769 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000364432341 1027819942 /nfs/dbraw/zinc/81/99/42/1027819942.db2.gz AVZUBOUFLDZUBW-NBQZKYEYSA-N 1 0 310.441 3.624 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364405344 1027820641 /nfs/dbraw/zinc/82/06/41/1027820641.db2.gz WZWRUDGXJVIGPJ-DYESRHJHSA-N 1 0 324.468 3.843 20 10 DHCDRO COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779026913 1027916678 /nfs/dbraw/zinc/91/66/78/1027916678.db2.gz IEIXKENFBUQXOP-JTQLQIEISA-N 1 0 316.239 3.539 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H](C)CO1 ZINC000779021301 1027868787 /nfs/dbraw/zinc/86/87/87/1027868787.db2.gz YOXPUEDBDDUDHM-AUUYWEPGSA-N 1 0 315.388 3.802 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H](C)CO1 ZINC000779021305 1027869227 /nfs/dbraw/zinc/86/92/27/1027869227.db2.gz YOXPUEDBDDUDHM-KUHUBIRLSA-N 1 0 315.388 3.802 20 10 DHCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000779021055 1027873074 /nfs/dbraw/zinc/87/30/74/1027873074.db2.gz QPIPGKHTCDUGFE-SFHVURJKSA-N 1 0 314.404 3.632 20 10 DHCDRO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764367 1027888468 /nfs/dbraw/zinc/88/84/68/1027888468.db2.gz MHQKGSOPCAICCB-KUHUBIRLSA-N 1 0 307.397 3.566 20 10 DHCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000159473480 1027993613 /nfs/dbraw/zinc/99/36/13/1027993613.db2.gz JZMZUXYGVQATNR-UHFFFAOYSA-N 1 0 315.413 3.820 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1O ZINC000528002712 1028026878 /nfs/dbraw/zinc/02/68/78/1028026878.db2.gz QLFYBCASHQUNPC-IUODEOHRSA-N 1 0 308.853 3.713 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@H](C)c1ccccc1O ZINC000366496680 1028087104 /nfs/dbraw/zinc/08/71/04/1028087104.db2.gz YJPZUEMBVCZQNE-DGCLKSJQSA-N 1 0 302.443 3.928 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N2CCCCC2)cc1 ZINC000779067335 1028133412 /nfs/dbraw/zinc/13/34/12/1028133412.db2.gz VHIPXUFJFBASBA-AEFFLSMTSA-N 1 0 324.472 3.539 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N2CCCCC2)cc1 ZINC000779067336 1028133983 /nfs/dbraw/zinc/13/39/83/1028133983.db2.gz VHIPXUFJFBASBA-FUHWJXTLSA-N 1 0 324.472 3.539 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(F)cn1 ZINC000779063953 1028136761 /nfs/dbraw/zinc/13/67/61/1028136761.db2.gz FAFRPKYFXSYMEH-KRWDZBQOSA-N 1 0 301.409 3.836 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168105154 1028181836 /nfs/dbraw/zinc/18/18/36/1028181836.db2.gz MUQAMARBPZDTTC-LBTNJELSSA-N 1 0 303.446 3.790 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c(O)c1C ZINC000779082152 1028196538 /nfs/dbraw/zinc/19/65/38/1028196538.db2.gz JAQAQIOALYUJGS-HNNXBMFYSA-N 1 0 324.424 3.831 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1C ZINC000779083364 1028201986 /nfs/dbraw/zinc/20/19/86/1028201986.db2.gz LBOFDBBOAPKSGU-OXJNMPFZSA-N 1 0 313.441 3.957 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(N2CCCCCC2)cc1 ZINC000367630174 1028219602 /nfs/dbraw/zinc/21/96/02/1028219602.db2.gz ZSHKNSSWOFFZLV-MVJPYGJCSA-N 1 0 314.473 3.610 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000368325414 1028335009 /nfs/dbraw/zinc/33/50/09/1028335009.db2.gz AETDORCMHKYTCJ-CZUORRHYSA-N 1 0 313.397 3.884 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000815120007 1028364432 /nfs/dbraw/zinc/36/44/32/1028364432.db2.gz LZPTYLXJNNBRLU-MSOLQXFVSA-N 1 0 302.462 3.532 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000815119415 1028365497 /nfs/dbraw/zinc/36/54/97/1028365497.db2.gz WYGAYCAXEHEWLK-RTBURBONSA-N 1 0 314.473 3.676 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000815119834 1028367097 /nfs/dbraw/zinc/36/70/97/1028367097.db2.gz HMDIJFQIBGXHPW-SFHVURJKSA-N 1 0 304.478 3.922 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000368523627 1028367353 /nfs/dbraw/zinc/36/73/53/1028367353.db2.gz VNCFYXSMJJGQGT-PBHICJAKSA-N 1 0 312.413 3.612 20 10 DHCDRO COc1ccc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138482603 1028424468 /nfs/dbraw/zinc/42/44/68/1028424468.db2.gz IIKGWKCHLFMRJW-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000368995866 1028433731 /nfs/dbraw/zinc/43/37/31/1028433731.db2.gz UXPDEVBGRSUQJS-IUODEOHRSA-N 1 0 317.408 3.517 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1 ZINC000779154572 1028457895 /nfs/dbraw/zinc/45/78/95/1028457895.db2.gz XLSWRXKQAICAIJ-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000188857267 1028534362 /nfs/dbraw/zinc/53/43/62/1028534362.db2.gz YJQLRGZMQZPNPL-PKOBYXMFSA-N 1 0 304.478 3.564 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815578918 1028551136 /nfs/dbraw/zinc/55/11/36/1028551136.db2.gz ABFVUTAZPPZOPM-HKUYNNGSSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)c1O ZINC000370020188 1028553878 /nfs/dbraw/zinc/55/38/78/1028553878.db2.gz MVOUMFZHMZLIHN-DYVFJYSZSA-N 1 0 317.816 3.665 20 10 DHCDRO CC(C)[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815580574 1028554097 /nfs/dbraw/zinc/55/40/97/1028554097.db2.gz MRMGHWZHVNZWDG-ICSRJNTNSA-N 1 0 313.441 3.673 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000815595946 1028561950 /nfs/dbraw/zinc/56/19/50/1028561950.db2.gz GQOOLVXZRHUSOQ-PEBXRYMYSA-N 1 0 317.454 3.597 20 10 DHCDRO CCOC1CC(CC[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000189251577 1028564552 /nfs/dbraw/zinc/56/45/52/1028564552.db2.gz KLGJQRFWHBAFRN-PPSBMQLTSA-N 1 0 304.478 3.999 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3nc(C)ccc3c2)c1 ZINC000189340965 1028570312 /nfs/dbraw/zinc/57/03/12/1028570312.db2.gz UQJKKVDHGKAPAB-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO CO[C@H](CC[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815619482 1028571249 /nfs/dbraw/zinc/57/12/49/1028571249.db2.gz OQFNNSKZSVFGAL-DGCLKSJQSA-N 1 0 305.340 3.627 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)cc3)C2)cc1 ZINC000076360735 1028588800 /nfs/dbraw/zinc/58/88/00/1028588800.db2.gz ITZAJNWWAZOLAF-SFHVURJKSA-N 1 0 310.441 3.620 20 10 DHCDRO COC1(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000815641645 1028588894 /nfs/dbraw/zinc/58/88/94/1028588894.db2.gz DRCBEVHQBUHLDN-AWEZNQCLSA-N 1 0 303.446 3.881 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815641135 1028589676 /nfs/dbraw/zinc/58/96/76/1028589676.db2.gz QOAWFPGVHHYHIP-LKFCYVNXSA-N 1 0 304.365 3.728 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1O ZINC000815647998 1028592043 /nfs/dbraw/zinc/59/20/43/1028592043.db2.gz BHMQGQGJMCJRMQ-JSGCOSHPSA-N 1 0 311.853 3.885 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1O ZINC000815645636 1028592227 /nfs/dbraw/zinc/59/22/27/1028592227.db2.gz LTUNABUVFOAQKW-NXEZZACHSA-N 1 0 304.203 3.862 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)c2c1c(F)ccc2O ZINC000815648525 1028592705 /nfs/dbraw/zinc/59/27/05/1028592705.db2.gz PLNXUDDVRPFVCK-XPKDYRNWSA-N 1 0 321.436 3.858 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000815651983 1028595016 /nfs/dbraw/zinc/59/50/16/1028595016.db2.gz KSECRQVIYVBFAK-YJBOKZPZSA-N 1 0 304.478 3.877 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Br)o1 ZINC000189501954 1028595424 /nfs/dbraw/zinc/59/54/24/1028595424.db2.gz BVHRFOLTHJLPQI-UHFFFAOYSA-N 1 0 316.582 3.691 20 10 DHCDRO Cc1ccc(Br)cc1C[NH2+]Cc1ccccc1O ZINC000190297879 1028879352 /nfs/dbraw/zinc/87/93/52/1028879352.db2.gz ODPHBXRQKSBYNO-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816519457 1028916842 /nfs/dbraw/zinc/91/68/42/1028916842.db2.gz JSERGWNJNZXBGG-SFHVURJKSA-N 1 0 321.424 3.788 20 10 DHCDRO Oc1c(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc2ccccc21 ZINC000816518599 1028919202 /nfs/dbraw/zinc/91/92/02/1028919202.db2.gz HLXIAKQETICBQJ-SFHVURJKSA-N 1 0 309.365 3.712 20 10 DHCDRO COc1ccccc1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816528963 1028920671 /nfs/dbraw/zinc/92/06/71/1028920671.db2.gz AFOCYWURUKDFLC-UHFFFAOYSA-N 1 0 307.393 3.886 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC[C@@H](C)C1 ZINC000816535610 1028923223 /nfs/dbraw/zinc/92/32/23/1028923223.db2.gz UMSGAQAFWZUJAA-CVEARBPZSA-N 1 0 312.457 3.755 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816546650 1028930796 /nfs/dbraw/zinc/93/07/96/1028930796.db2.gz QQIKKSDKBJDIAE-UHFFFAOYSA-N 1 0 322.408 3.856 20 10 DHCDRO C[NH+](C)CCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816526073 1028935142 /nfs/dbraw/zinc/93/51/42/1028935142.db2.gz SCRUZLHMEDPNTJ-UHFFFAOYSA-N 1 0 322.811 3.901 20 10 DHCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816556272 1028941229 /nfs/dbraw/zinc/94/12/29/1028941229.db2.gz DXQWASYGJVHMEK-LJQANCHMSA-N 1 0 307.393 3.677 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc2ccccc21 ZINC000816593992 1028953104 /nfs/dbraw/zinc/95/31/04/1028953104.db2.gz LYQQAFHEBLONJX-GOSISDBHSA-N 1 0 320.392 3.594 20 10 DHCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H](O)Cc1ccccc1 ZINC000816624755 1028953745 /nfs/dbraw/zinc/95/37/45/1028953745.db2.gz GVLFIFNBPXSVEN-IBGZPJMESA-N 1 0 321.420 3.581 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1O ZINC000816610275 1028960373 /nfs/dbraw/zinc/96/03/73/1028960373.db2.gz FHAHDKOSYYBJFL-UHFFFAOYSA-N 1 0 309.365 3.549 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2cc3ccccc3s2)c1 ZINC000816642523 1028967825 /nfs/dbraw/zinc/96/78/25/1028967825.db2.gz BVJOSTVVDORCCH-UHFFFAOYSA-N 1 0 313.422 3.948 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667923 1028991666 /nfs/dbraw/zinc/99/16/66/1028991666.db2.gz ZZDVZFDSVXHHQQ-KRWDZBQOSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1cc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)cc1C ZINC000816668099 1028991765 /nfs/dbraw/zinc/99/17/65/1028991765.db2.gz FQAUJIQQIGLSCQ-UHFFFAOYSA-N 1 0 319.408 3.711 20 10 DHCDRO Cc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1O ZINC000373421488 1029041187 /nfs/dbraw/zinc/04/11/87/1029041187.db2.gz HVJRHFIBRLEZFP-UHFFFAOYSA-N 1 0 311.425 3.621 20 10 DHCDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(C2CC2)c1 ZINC000817407296 1029148551 /nfs/dbraw/zinc/14/85/51/1029148551.db2.gz IRCIOIRBCVZXGI-UHFFFAOYSA-N 1 0 322.452 3.690 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817413577 1029152488 /nfs/dbraw/zinc/15/24/88/1029152488.db2.gz ZMVJGGXSTZQGOD-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccccc1O ZINC000155205007 1029194050 /nfs/dbraw/zinc/19/40/50/1029194050.db2.gz ZOEDCDBKKKUDHD-SFHVURJKSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000817586035 1029214917 /nfs/dbraw/zinc/21/49/17/1029214917.db2.gz KZSZVAPIPYKLLD-CQSZACIVSA-N 1 0 303.446 3.617 20 10 DHCDRO CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1ccc(N(C)C)cc1 ZINC000155355776 1029227954 /nfs/dbraw/zinc/22/79/54/1029227954.db2.gz CPLUDUMJPIGBBJ-GOSISDBHSA-N 1 0 306.494 3.982 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccccc1O ZINC000155376050 1029229118 /nfs/dbraw/zinc/22/91/18/1029229118.db2.gz LPRCBLRCVDIXJY-QGZVFWFLSA-N 1 0 315.413 3.693 20 10 DHCDRO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000817900461 1029270492 /nfs/dbraw/zinc/27/04/92/1029270492.db2.gz SRSWYMAMQIVEBU-VQTJNVASSA-N 1 0 307.441 3.521 20 10 DHCDRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938401 1029282976 /nfs/dbraw/zinc/28/29/76/1029282976.db2.gz JVXQTPJLAZEBSH-OXJNMPFZSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817939106 1029283671 /nfs/dbraw/zinc/28/36/71/1029283671.db2.gz ZAVYWEXIJCDQDU-SCLBCKFNSA-N 1 0 317.864 3.757 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938943 1029285183 /nfs/dbraw/zinc/28/51/83/1029285183.db2.gz WAVHMPKXKBICCD-YWZLYKJASA-N 1 0 311.473 3.666 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955075 1029295318 /nfs/dbraw/zinc/29/53/18/1029295318.db2.gz PSZIQLYVIZKDHY-HZMBPMFUSA-N 1 0 317.260 3.739 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000817955148 1029297505 /nfs/dbraw/zinc/29/75/05/1029297505.db2.gz REAOZFJYMDSBKX-LRDDRELGSA-N 1 0 304.821 3.705 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817962148 1029300175 /nfs/dbraw/zinc/30/01/75/1029300175.db2.gz GMNHXLOFOOBYAY-PXAZEXFGSA-N 1 0 302.393 3.792 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959421 1029301282 /nfs/dbraw/zinc/30/12/82/1029301282.db2.gz REMFYFNMXMUJNE-NWDGAFQWSA-N 1 0 305.249 3.723 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970499 1029310174 /nfs/dbraw/zinc/31/01/74/1029310174.db2.gz XSKCOXZHXKXOHK-IVZWLZJFSA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976382 1029313472 /nfs/dbraw/zinc/31/34/72/1029313472.db2.gz KXSBHLCGUYARBT-UWVGGRQHSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817979445 1029318117 /nfs/dbraw/zinc/31/81/17/1029318117.db2.gz BCYXTKZRRCYAGM-NWDGAFQWSA-N 1 0 316.367 3.594 20 10 DHCDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817985436 1029324487 /nfs/dbraw/zinc/32/44/87/1029324487.db2.gz KBQPSUFJVFEQEN-JTQLQIEISA-N 1 0 315.244 3.659 20 10 DHCDRO c1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000078303283 1029347659 /nfs/dbraw/zinc/34/76/59/1029347659.db2.gz ZRHUNBKPVNPURN-NRFANRHFSA-N 1 0 322.452 3.764 20 10 DHCDRO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000078303286 1029348098 /nfs/dbraw/zinc/34/80/98/1029348098.db2.gz ZRHUNBKPVNPURN-OAQYLSRUSA-N 1 0 322.452 3.764 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374472963 1029352000 /nfs/dbraw/zinc/35/20/00/1029352000.db2.gz SBZAHRLYLGJERO-KDOFPFPSSA-N 1 0 317.816 3.913 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374472965 1029353198 /nfs/dbraw/zinc/35/31/98/1029353198.db2.gz SBZAHRLYLGJERO-RDTXWAMCSA-N 1 0 317.816 3.913 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CC3(C)C)C2)cc1 ZINC000818221485 1029356580 /nfs/dbraw/zinc/35/65/80/1029356580.db2.gz NHDBRJWUXUHAQE-DAYGRLMNSA-N 1 0 302.462 3.546 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000818329740 1029367350 /nfs/dbraw/zinc/36/73/50/1029367350.db2.gz CXOFHSIFLJWMDB-XGPVDZAGSA-N 1 0 316.489 3.826 20 10 DHCDRO Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001170898945 1029367821 /nfs/dbraw/zinc/36/78/21/1029367821.db2.gz ZSAFXBVZAAOXDJ-INIZCTEOSA-N 1 0 313.828 3.922 20 10 DHCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC000818331640 1029370903 /nfs/dbraw/zinc/37/09/03/1029370903.db2.gz XKLVMWALLWYROT-LAGDQHSMSA-N 1 0 314.473 3.580 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000818341985 1029373342 /nfs/dbraw/zinc/37/33/42/1029373342.db2.gz JVKOKHNFZCJRSU-DNVCBOLYSA-N 1 0 302.462 3.690 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000818341986 1029373941 /nfs/dbraw/zinc/37/39/41/1029373941.db2.gz JVKOKHNFZCJRSU-HNAYVOBHSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3C)C2)cc1 ZINC000818343974 1029374330 /nfs/dbraw/zinc/37/43/30/1029374330.db2.gz GSIXOCXACBBYAF-FCEWJHQRSA-N 1 0 302.462 3.690 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccccc1O ZINC000156083324 1029374625 /nfs/dbraw/zinc/37/46/25/1029374625.db2.gz CPBRISLMILGLRR-GOEBONIOSA-N 1 0 315.413 3.909 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)C2)cc1 ZINC000818341873 1029374827 /nfs/dbraw/zinc/37/48/27/1029374827.db2.gz HWWOLOGEKPWXSE-WOUAJJJCSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccs3)C2)cc1 ZINC000818344043 1029375993 /nfs/dbraw/zinc/37/59/93/1029375993.db2.gz IAQYTZQGJKHZNX-LSDHHAIUSA-N 1 0 316.470 3.934 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000818356444 1029382196 /nfs/dbraw/zinc/38/21/96/1029382196.db2.gz JGUIZDGZWMNHBZ-ZDUSSCGKSA-N 1 0 307.434 3.801 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000818487345 1029392019 /nfs/dbraw/zinc/39/20/19/1029392019.db2.gz RWHUMHGEIXSXDK-UHFFFAOYSA-N 1 0 316.832 3.687 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000320829310 1029428814 /nfs/dbraw/zinc/42/88/14/1029428814.db2.gz FXGPLWVRCXEHAC-XHDPSFHLSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1ccccc1COC1CC[NH+](Cc2ccccc2O)CC1 ZINC000374774940 1029457656 /nfs/dbraw/zinc/45/76/56/1029457656.db2.gz BSAPURLOFGCGQM-UHFFFAOYSA-N 1 0 311.425 3.882 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163329691 1029788774 /nfs/dbraw/zinc/78/87/74/1029788774.db2.gz CZMOXSKRPDGICM-ZIAGYGMSSA-N 1 0 308.441 3.748 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2conc2C)cc1 ZINC000865677542 1029974012 /nfs/dbraw/zinc/97/40/12/1029974012.db2.gz BLEVPRATDFEROE-UHFFFAOYSA-N 1 0 301.434 3.899 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(F)cc2C)c1 ZINC000120707412 1029986372 /nfs/dbraw/zinc/98/63/72/1029986372.db2.gz VBTCZDTUWJVNGS-CYBMUJFWSA-N 1 0 303.377 3.742 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000865731568 1029995091 /nfs/dbraw/zinc/99/50/91/1029995091.db2.gz SDBFOZASRAQFCI-LBPRGKRZSA-N 1 0 312.369 3.707 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761453 1030011094 /nfs/dbraw/zinc/01/10/94/1030011094.db2.gz NNNOMOHLXKKIBS-UYAOXDASSA-N 1 0 314.473 3.582 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC23CCOCC3)cc1 ZINC000865778263 1030020372 /nfs/dbraw/zinc/02/03/72/1030020372.db2.gz ROZRCLHBJYCCJT-DDKKJVIOSA-N 1 0 314.473 3.562 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000865781517 1030022798 /nfs/dbraw/zinc/02/27/98/1030022798.db2.gz BRWZYGAEYYENOM-WCQYABFASA-N 1 0 315.335 3.635 20 10 DHCDRO CSc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)ccn1 ZINC000777506733 1030062755 /nfs/dbraw/zinc/06/27/55/1030062755.db2.gz OQDBHPMTZBLFKN-UHFFFAOYSA-N 1 0 308.834 3.761 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)[C@H](C)c2cccnc2)c1O ZINC000290661538 1030143289 /nfs/dbraw/zinc/14/32/89/1030143289.db2.gz ZROGSLGEQWTAOP-CQSZACIVSA-N 1 0 300.402 3.769 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)c2cccnc2)c1O ZINC000290661536 1030144315 /nfs/dbraw/zinc/14/43/15/1030144315.db2.gz ZROGSLGEQWTAOP-AWEZNQCLSA-N 1 0 300.402 3.769 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(OC)n1 ZINC000924861130 1030211162 /nfs/dbraw/zinc/21/11/62/1030211162.db2.gz IHHSHMKBJVJADE-HNNXBMFYSA-N 1 0 317.408 3.536 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924862968 1030212536 /nfs/dbraw/zinc/21/25/36/1030212536.db2.gz SUPMLFRUYVFFDD-CYBMUJFWSA-N 1 0 316.424 3.664 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2CCOC23CCCCC3)n1 ZINC000925104299 1030273941 /nfs/dbraw/zinc/27/39/41/1030273941.db2.gz XGJYUHSFEDGSPR-ZDUSSCGKSA-N 1 0 312.504 3.707 20 10 DHCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)F)c1O ZINC000866409525 1030286469 /nfs/dbraw/zinc/28/64/69/1030286469.db2.gz MRHMHNHKTAGKCU-MRVPVSSYSA-N 1 0 320.202 3.562 20 10 DHCDRO CCOCCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823608078 1030338752 /nfs/dbraw/zinc/33/87/52/1030338752.db2.gz AXQULZHISHGHBB-UHFFFAOYSA-N 1 0 318.486 3.901 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1[O-] ZINC000866516855 1030341154 /nfs/dbraw/zinc/34/11/54/1030341154.db2.gz DGUFACAKXXBYQM-MKQDKFQKSA-N 1 0 310.869 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(C)cc1O ZINC000866531737 1030352416 /nfs/dbraw/zinc/35/24/16/1030352416.db2.gz SPIFJNOMQSTVSG-DOTOQJQBSA-N 1 0 303.446 3.948 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(C)(C)O ZINC000823753105 1030386128 /nfs/dbraw/zinc/38/61/28/1030386128.db2.gz RIRNJKRHQMUBOD-CQSZACIVSA-N 1 0 318.486 3.634 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866623940 1030411464 /nfs/dbraw/zinc/41/14/64/1030411464.db2.gz WTVKWDBPZFJJBF-GUYCJALGSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634947 1030415305 /nfs/dbraw/zinc/41/53/05/1030415305.db2.gz WDALFBQHPBMXFT-KGLIPLIRSA-N 1 0 305.809 3.818 20 10 DHCDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000772877372 1030418995 /nfs/dbraw/zinc/41/89/95/1030418995.db2.gz ZNPWIWPPKPHJSZ-OAHLLOKOSA-N 1 0 300.446 3.507 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000823871651 1030419448 /nfs/dbraw/zinc/41/94/48/1030419448.db2.gz LGHKQFBUVLFCDC-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO Cc1nc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c(C)s1 ZINC000772878436 1030472627 /nfs/dbraw/zinc/47/26/27/1030472627.db2.gz KPUBLFNOLAZTDL-LBPRGKRZSA-N 1 0 303.475 3.985 20 10 DHCDRO CO[C@H](C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824243050 1030506509 /nfs/dbraw/zinc/50/65/09/1030506509.db2.gz WIPICRDKRXAMCB-CQSZACIVSA-N 1 0 304.459 3.509 20 10 DHCDRO COc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)c(O)c1 ZINC000824319945 1030523505 /nfs/dbraw/zinc/52/35/05/1030523505.db2.gz AXDDZWNHSLMICH-UHFFFAOYSA-N 1 0 319.445 3.761 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1O ZINC000824468728 1030570820 /nfs/dbraw/zinc/57/08/20/1030570820.db2.gz NASDTKBEOINNHS-MRXNPFEDSA-N 1 0 301.361 3.707 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(C)c2)cc1F ZINC000824596843 1030591533 /nfs/dbraw/zinc/59/15/33/1030591533.db2.gz MLXCGAMNWHEOFC-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO Cc1cc(O)c(CN2CCO[C@@H](c3cccs3)C2)cc1Cl ZINC000824632664 1030597994 /nfs/dbraw/zinc/59/79/94/1030597994.db2.gz PECNYYBMTZXQMC-OAHLLOKOSA-N 1 0 323.845 3.989 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1C ZINC000824690789 1030614152 /nfs/dbraw/zinc/61/41/52/1030614152.db2.gz LYWLBSOCJDFPFG-KRWDZBQOSA-N 1 0 319.832 3.828 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000824750770 1030639302 /nfs/dbraw/zinc/63/93/02/1030639302.db2.gz OGFGUUCQCUJGKY-CYBMUJFWSA-N 1 0 309.837 3.793 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2cc(Cl)c(C)cc2O)s1 ZINC000824895223 1030659800 /nfs/dbraw/zinc/65/98/00/1030659800.db2.gz SOVNFPLFTPZPTL-UHFFFAOYSA-N 1 0 310.850 3.793 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1cc(Cl)c(C)cc1O ZINC000824895081 1030660770 /nfs/dbraw/zinc/66/07/70/1030660770.db2.gz QDNRHIZSJOXMEQ-UHFFFAOYSA-N 1 0 310.850 3.875 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1C ZINC000824893020 1030661112 /nfs/dbraw/zinc/66/11/12/1030661112.db2.gz IUPWWMXURXPGCI-MSOLQXFVSA-N 1 0 315.457 3.790 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H](C)O ZINC000824921297 1030671901 /nfs/dbraw/zinc/67/19/01/1030671901.db2.gz IOJIYJUYQVCVFF-KBXCAEBGSA-N 1 0 318.486 3.634 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045306 1030707790 /nfs/dbraw/zinc/70/77/90/1030707790.db2.gz CYQWIUPBFDOISV-GFCCVEGCSA-N 1 0 311.278 3.726 20 10 DHCDRO CCCc1ncc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000825079452 1030719946 /nfs/dbraw/zinc/71/99/46/1030719946.db2.gz UROMUXPPEQWVSJ-UHFFFAOYSA-N 1 0 313.445 3.907 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825087097 1030720242 /nfs/dbraw/zinc/72/02/42/1030720242.db2.gz XOSNASOZXUVZTH-UKRRQHHQSA-N 1 0 307.390 3.603 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000825084320 1030722008 /nfs/dbraw/zinc/72/20/08/1030722008.db2.gz DPCHNRZRNIJHMK-NVXWUHKLSA-N 1 0 316.470 3.824 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000359002255 1030722503 /nfs/dbraw/zinc/72/25/03/1030722503.db2.gz LQJVTFGWBVQKHZ-CYBMUJFWSA-N 1 0 308.429 3.744 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000825215562 1030748086 /nfs/dbraw/zinc/74/80/86/1030748086.db2.gz QKUDXGGGRCZBIB-QGZVFWFLSA-N 1 0 307.459 3.510 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1O ZINC000825310719 1030783043 /nfs/dbraw/zinc/78/30/43/1030783043.db2.gz BSWCGAHXTVBNQQ-KRWDZBQOSA-N 1 0 317.454 3.756 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825371130 1030792227 /nfs/dbraw/zinc/79/22/27/1030792227.db2.gz UECYEZNABXCDST-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1Cl ZINC000825394493 1030801140 /nfs/dbraw/zinc/80/11/40/1030801140.db2.gz AVACWPMLEYIVSC-NHYWBVRUSA-N 1 0 309.793 3.549 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926597583 1030817707 /nfs/dbraw/zinc/81/77/07/1030817707.db2.gz ZRYYIESGQMZGFL-IRXDYDNUSA-N 1 0 311.473 3.608 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122781938 1030868094 /nfs/dbraw/zinc/86/80/94/1030868094.db2.gz RUNVJRPKYSYUNO-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000122798332 1030869897 /nfs/dbraw/zinc/86/98/97/1030869897.db2.gz BQLXKKPSWMEMEL-CQSZACIVSA-N 1 0 312.413 3.641 20 10 DHCDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000926722960 1030884433 /nfs/dbraw/zinc/88/44/33/1030884433.db2.gz BPDIWGSJXCBJRI-IBGZPJMESA-N 1 0 316.489 3.562 20 10 DHCDRO Clc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171102214 1030955000 /nfs/dbraw/zinc/95/50/00/1030955000.db2.gz WJEGFVRJIYJGMP-GOSISDBHSA-N 1 0 313.828 3.922 20 10 DHCDRO Clc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171102215 1030956381 /nfs/dbraw/zinc/95/63/81/1030956381.db2.gz WJEGFVRJIYJGMP-SFHVURJKSA-N 1 0 313.828 3.922 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000926914581 1030986012 /nfs/dbraw/zinc/98/60/12/1030986012.db2.gz AULUDPCUYZNFBZ-CYBMUJFWSA-N 1 0 300.427 3.505 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000927036621 1031047311 /nfs/dbraw/zinc/04/73/11/1031047311.db2.gz KXOPCJPOCHQFNQ-STQMWFEESA-N 1 0 307.459 3.870 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](CC)c3ccccc3O)C2)n1 ZINC000927053186 1031050944 /nfs/dbraw/zinc/05/09/44/1031050944.db2.gz OPDKBOZNYLGLCW-NFAWXSAZSA-N 1 0 315.417 3.715 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844383535 1031091639 /nfs/dbraw/zinc/09/16/39/1031091639.db2.gz YZAKBBFTXPNGEQ-UHFFFAOYSA-N 1 0 316.342 3.619 20 10 DHCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(C)cc1O ZINC000927140055 1031113867 /nfs/dbraw/zinc/11/38/67/1031113867.db2.gz PPFMNOSAJNGXCZ-NSHGMRRFSA-N 1 0 311.425 3.790 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000844719405 1031303751 /nfs/dbraw/zinc/30/37/51/1031303751.db2.gz DJLCPQXAXAPYQH-UHFFFAOYSA-N 1 0 317.326 3.875 20 10 DHCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000360262655 1031352919 /nfs/dbraw/zinc/35/29/19/1031352919.db2.gz UXTLNCAHEUPXKT-OAHLLOKOSA-N 1 0 323.396 3.616 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cc(F)ccc1O ZINC000844922899 1031401932 /nfs/dbraw/zinc/40/19/32/1031401932.db2.gz COTQDGAFFMCGPV-XJKSGUPXSA-N 1 0 314.404 3.999 20 10 DHCDRO CC(F)(F)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000296213452 1031406665 /nfs/dbraw/zinc/40/66/65/1031406665.db2.gz ZWJDHSMSHNQDGG-UHFFFAOYSA-N 1 0 308.166 3.680 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(O)c1F ZINC000872023463 1031408431 /nfs/dbraw/zinc/40/84/31/1031408431.db2.gz SCOAYPNNHGWKQS-CQSZACIVSA-N 1 0 314.404 3.982 20 10 DHCDRO CSc1ccc([C@H](C[NH2+]Cc2ccccc2O)N(C)C)cc1 ZINC000293486311 1031487254 /nfs/dbraw/zinc/48/72/54/1031487254.db2.gz SIOPJRGCSYOQJH-KRWDZBQOSA-N 1 0 316.470 3.507 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872110283 1031501602 /nfs/dbraw/zinc/50/16/02/1031501602.db2.gz GQEYYVPXWKLQOL-SECBINFHSA-N 1 0 313.266 3.523 20 10 DHCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc2ccccc2c1O ZINC000872111649 1031504065 /nfs/dbraw/zinc/50/40/65/1031504065.db2.gz FNVKOTSLEGHRFJ-DZGCQCFKSA-N 1 0 313.397 3.539 20 10 DHCDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134008 1031527566 /nfs/dbraw/zinc/52/75/66/1031527566.db2.gz QDLQRZKDCDMRCV-GXTWGEPZSA-N 1 0 311.429 3.781 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000872133930 1031527636 /nfs/dbraw/zinc/52/76/36/1031527636.db2.gz UABYBURQDJKRAB-IWEFOYFVSA-N 1 0 303.377 3.694 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000293714583 1031584742 /nfs/dbraw/zinc/58/47/42/1031584742.db2.gz UZNQCOKIMGQULP-UHFFFAOYSA-N 1 0 321.779 3.972 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000360888941 1031606723 /nfs/dbraw/zinc/60/67/23/1031606723.db2.gz QLIRIYLJGODZKY-PIGZYNQJSA-N 1 0 317.360 3.542 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001171190180 1031634417 /nfs/dbraw/zinc/63/44/17/1031634417.db2.gz RBPASAKYOJHBSL-JENIJYKNSA-N 1 0 316.489 3.828 20 10 DHCDRO COC/C(C)=C\C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929970061 1031664345 /nfs/dbraw/zinc/66/43/45/1031664345.db2.gz HTLHLNVGQRSXCU-DHDCSXOGSA-N 1 0 301.386 3.580 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC000872815972 1031667751 /nfs/dbraw/zinc/66/77/51/1031667751.db2.gz FFTSONKLSVZAAV-DOMZBBRYSA-N 1 0 317.351 3.551 20 10 DHCDRO Cn1ccnc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293916186 1031697513 /nfs/dbraw/zinc/69/75/13/1031697513.db2.gz XEKVJISVRSEYCE-GOSISDBHSA-N 1 0 321.424 3.589 20 10 DHCDRO CCCOc1ccc(C[NH2+]CC2(SC)CCOCC2)cc1C ZINC000873060768 1031702238 /nfs/dbraw/zinc/70/22/38/1031702238.db2.gz BREGOGJNLIIUHK-UHFFFAOYSA-N 1 0 323.502 3.786 20 10 DHCDRO Cc1ccc(CCC[NH2+]CCCSc2nccs2)cn1 ZINC000792992499 1031742582 /nfs/dbraw/zinc/74/25/82/1031742582.db2.gz OFJAANRCAAHEFG-UHFFFAOYSA-N 1 0 307.488 3.551 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000873239221 1031769099 /nfs/dbraw/zinc/76/90/99/1031769099.db2.gz QALBMTIDHMDGKR-SRVKXCTJSA-N 1 0 316.367 3.579 20 10 DHCDRO CC(C)c1ncc2c(n1)CCN(Cc1c(O)cccc1Cl)C2 ZINC000527617664 1031774561 /nfs/dbraw/zinc/77/45/61/1031774561.db2.gz CRVBKWGNROVORX-UHFFFAOYSA-N 1 0 317.820 3.517 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873269459 1031781528 /nfs/dbraw/zinc/78/15/28/1031781528.db2.gz QBJXPSNUFYEIRY-NXEZZACHSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(CSC)s2)c1 ZINC000845971373 1031788028 /nfs/dbraw/zinc/78/80/28/1031788028.db2.gz JFYRDYHJXJPKNJ-SNVBAGLBSA-N 1 0 324.471 3.571 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000845970888 1031789142 /nfs/dbraw/zinc/78/91/42/1031789142.db2.gz FIABPAQTZHMXTF-LLVKDONJSA-N 1 0 321.804 3.919 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000845970905 1031789313 /nfs/dbraw/zinc/78/93/13/1031789313.db2.gz FQWGFYOFTCQENU-LLVKDONJSA-N 1 0 321.804 3.919 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)cc1 ZINC000873289250 1031790506 /nfs/dbraw/zinc/79/05/06/1031790506.db2.gz SKSPRMOAEJYVBR-ZDUSSCGKSA-N 1 0 301.409 3.715 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2O ZINC000873289198 1031791041 /nfs/dbraw/zinc/79/10/41/1031791041.db2.gz QVAUVYJIHLIQQZ-YMTOWFKASA-N 1 0 304.340 3.591 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccccc1O ZINC000845992275 1031794834 /nfs/dbraw/zinc/79/48/34/1031794834.db2.gz HYRXFAOIJYZIGS-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000897727395 1031806352 /nfs/dbraw/zinc/80/63/52/1031806352.db2.gz LJJOHQSMEREDEW-GUYCJALGSA-N 1 0 305.418 3.543 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846042111 1031838685 /nfs/dbraw/zinc/83/86/85/1031838685.db2.gz DPWUPCMQZKLMKX-HXUWFJFHSA-N 1 0 316.489 3.828 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)c1 ZINC000897882922 1031867446 /nfs/dbraw/zinc/86/74/46/1031867446.db2.gz XTNKQTQJRYQQPV-YEORSEQZSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2)c1O ZINC000846135085 1031873281 /nfs/dbraw/zinc/87/32/81/1031873281.db2.gz BADKLGNOYYSRSX-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cs1 ZINC000846148148 1031883182 /nfs/dbraw/zinc/88/31/82/1031883182.db2.gz XRUMQTDCKXXQMY-GHMZBOCLSA-N 1 0 306.431 3.832 20 10 DHCDRO COCCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846151450 1031886155 /nfs/dbraw/zinc/88/61/55/1031886155.db2.gz YMCVKZICAPSOOD-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO CCCCn1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846160738 1031892163 /nfs/dbraw/zinc/89/21/63/1031892163.db2.gz XYZSJOFXZUAHIU-AWEZNQCLSA-N 1 0 317.433 3.557 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)c1O ZINC000846167276 1031894523 /nfs/dbraw/zinc/89/45/23/1031894523.db2.gz VXMYDJKRERWEES-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000846164823 1031895497 /nfs/dbraw/zinc/89/54/97/1031895497.db2.gz RSKQCOVAXMHVLB-MAZHCROVSA-N 1 0 307.434 3.644 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000846171098 1031897889 /nfs/dbraw/zinc/89/78/89/1031897889.db2.gz DBKHPVXVJAQMRY-BJOOFOGMSA-N 1 0 301.361 3.689 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)ccc1C ZINC000846142000 1031899695 /nfs/dbraw/zinc/89/96/95/1031899695.db2.gz PYDAWALLWBNVNG-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC)c1O ZINC000846135590 1031901198 /nfs/dbraw/zinc/90/11/98/1031901198.db2.gz DQAUNVCQCFMOFZ-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)COc2ccc(C)cc2)c1O ZINC000846141100 1031902789 /nfs/dbraw/zinc/90/27/89/1031902789.db2.gz DJRQFIVCQCGFOU-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)c1O ZINC000846141327 1031904428 /nfs/dbraw/zinc/90/44/28/1031904428.db2.gz MSFNLZHRZRZPKQ-YOEHRIQHSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2cccc(Cl)c2)c1O ZINC000846141421 1031904806 /nfs/dbraw/zinc/90/48/06/1031904806.db2.gz IEMOHTCJOWVUCG-LBPRGKRZSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1O ZINC000846143454 1031905965 /nfs/dbraw/zinc/90/59/65/1031905965.db2.gz BYBNUNSOMJEUBH-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO CC(C)N(CC(=O)c1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142527113 1031906797 /nfs/dbraw/zinc/90/67/97/1031906797.db2.gz KZBFNOYGERIBFN-UHFFFAOYSA-N 1 0 319.351 3.764 20 10 DHCDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000846205895 1031909840 /nfs/dbraw/zinc/90/98/40/1031909840.db2.gz TWMOBWNDNIMVMD-ZIAGYGMSSA-N 1 0 303.446 3.737 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)COc2cccc(C)c2)c1O ZINC000846148053 1031910237 /nfs/dbraw/zinc/91/02/37/1031910237.db2.gz ZEARWHYXBAXSAE-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846181439 1031915723 /nfs/dbraw/zinc/91/57/23/1031915723.db2.gz AXUDHRMVPDJFHY-VEVIJQCQSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1F ZINC000846182413 1031916806 /nfs/dbraw/zinc/91/68/06/1031916806.db2.gz JPWHSYRWZFOIKG-RVPKQNPDSA-N 1 0 323.795 3.957 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187023 1031919294 /nfs/dbraw/zinc/91/92/94/1031919294.db2.gz GXSLZFYZITVOGZ-IFXJQAMLSA-N 1 0 302.462 3.608 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(C)cc1O ZINC000846189878 1031922385 /nfs/dbraw/zinc/92/23/85/1031922385.db2.gz VPXBBJGLVUDCGD-IEBWSBKVSA-N 1 0 303.446 3.947 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3scnc3c2)cc1 ZINC001144744534 1031931426 /nfs/dbraw/zinc/93/14/26/1031931426.db2.gz YSAZJOYVEPVZDS-UHFFFAOYSA-N 1 0 311.454 3.994 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898072131 1031943596 /nfs/dbraw/zinc/94/35/96/1031943596.db2.gz YKZBPEMMIZXNHS-NSHDSACASA-N 1 0 308.834 3.567 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1C ZINC000898071797 1031945368 /nfs/dbraw/zinc/94/53/68/1031945368.db2.gz SUIWDXUQZXCQMY-CQSZACIVSA-N 1 0 302.443 3.530 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2cc(Br)ccc2F)c1O ZINC000124682054 1031946428 /nfs/dbraw/zinc/94/64/28/1031946428.db2.gz UWOAIUVCPYALHI-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(C)c2)s1 ZINC000294373287 1031964804 /nfs/dbraw/zinc/96/48/04/1031964804.db2.gz BCKKYLYXGFETQY-UHFFFAOYSA-N 1 0 303.475 3.851 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1Cl ZINC000898319231 1032034259 /nfs/dbraw/zinc/03/42/59/1032034259.db2.gz AZECZGWLZOKREB-QGZVFWFLSA-N 1 0 302.805 3.990 20 10 DHCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877465692 1033310528 /nfs/dbraw/zinc/31/05/28/1033310528.db2.gz VFLBZLNETDKRBF-FUHWJXTLSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877468853 1033310598 /nfs/dbraw/zinc/31/05/98/1033310598.db2.gz OEOJAPJEXLWOBD-BRWVUGGUSA-N 1 0 316.489 3.514 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1 ZINC000877504116 1033326862 /nfs/dbraw/zinc/32/68/62/1033326862.db2.gz GYZWFNROHVWSCC-KRWDZBQOSA-N 1 0 318.848 3.747 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c(O)c1 ZINC000877527476 1033337820 /nfs/dbraw/zinc/33/78/20/1033337820.db2.gz OFIQJFAZWKMEMZ-UHFFFAOYSA-N 1 0 313.445 3.590 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(F)F)nc2)c1 ZINC000877532341 1033339334 /nfs/dbraw/zinc/33/93/34/1033339334.db2.gz DZBDFCCSRZZXHO-SNVBAGLBSA-N 1 0 308.328 3.584 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(O)c1 ZINC000877548312 1033348299 /nfs/dbraw/zinc/34/82/99/1033348299.db2.gz VPHAMLLQUQBUCP-SJKOYZFVSA-N 1 0 303.427 3.554 20 10 DHCDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237496487 1033352486 /nfs/dbraw/zinc/35/24/86/1033352486.db2.gz GFPWZCWJJGDBMO-INIZCTEOSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000877663734 1033402273 /nfs/dbraw/zinc/40/22/73/1033402273.db2.gz XVJGKGXZRNSHCM-INIZCTEOSA-N 1 0 323.795 3.706 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877674334 1033406891 /nfs/dbraw/zinc/40/68/91/1033406891.db2.gz UBMLINZMECPMNT-NHCUHLMSSA-N 1 0 324.468 3.759 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccccc2C)cc1OC ZINC000877699977 1033414774 /nfs/dbraw/zinc/41/47/74/1033414774.db2.gz SBCLPGUIMWYUSC-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c(Cl)cc1O ZINC000877755791 1033431048 /nfs/dbraw/zinc/43/10/48/1033431048.db2.gz MZSHSYJSDUIITJ-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877755767 1033432146 /nfs/dbraw/zinc/43/21/46/1033432146.db2.gz MDMAROUZCXAZDK-LSDHHAIUSA-N 1 0 315.413 3.657 20 10 DHCDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000877758192 1033434881 /nfs/dbraw/zinc/43/48/81/1033434881.db2.gz MDMAROUZCXAZDK-CABCVRRESA-N 1 0 315.413 3.657 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)c1 ZINC000877812474 1033462546 /nfs/dbraw/zinc/46/25/46/1033462546.db2.gz ARLGEQOQSRBTOM-CQSZACIVSA-N 1 0 318.442 3.545 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000927066340 1033487915 /nfs/dbraw/zinc/48/79/15/1033487915.db2.gz BHYWFDYVVHFSJJ-BZNIZROVSA-N 1 0 307.825 3.827 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCOC1 ZINC000151899603 1033491321 /nfs/dbraw/zinc/49/13/21/1033491321.db2.gz PJISMMQFTQWHRC-SFHVURJKSA-N 1 0 302.462 3.535 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CC)c2nccs2)c1 ZINC000152603029 1033531918 /nfs/dbraw/zinc/53/19/18/1033531918.db2.gz BRNXKKVQLKCMET-INIZCTEOSA-N 1 0 306.431 3.662 20 10 DHCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)cc1O ZINC001173114630 1033548419 /nfs/dbraw/zinc/54/84/19/1033548419.db2.gz CLPJUEHYXFBSOI-SFHVURJKSA-N 1 0 319.445 3.614 20 10 DHCDRO C[C@H](O)C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000153250549 1033568633 /nfs/dbraw/zinc/56/86/33/1033568633.db2.gz LQUBFAQJEVFGFU-DZGCQCFKSA-N 1 0 319.832 3.690 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000878360366 1033673291 /nfs/dbraw/zinc/67/32/91/1033673291.db2.gz LZGACFYNVUXFRJ-OLZOCXBDSA-N 1 0 307.434 3.645 20 10 DHCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173347514 1033702262 /nfs/dbraw/zinc/70/22/62/1033702262.db2.gz FBYNUZMBZQBRGU-HNNXBMFYSA-N 1 0 319.445 3.829 20 10 DHCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCCC3(CCCCC3)C2)cc1O ZINC001173347515 1033703485 /nfs/dbraw/zinc/70/34/85/1033703485.db2.gz FBYNUZMBZQBRGU-OAHLLOKOSA-N 1 0 319.445 3.829 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000927099796 1033704953 /nfs/dbraw/zinc/70/49/53/1033704953.db2.gz PJUOKAAPWAWAGH-STQMWFEESA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@H](c1ccco1)N(C)Cc1c(O)cccc1Br ZINC000862219502 1033784262 /nfs/dbraw/zinc/78/42/62/1033784262.db2.gz HMQCHDMDYWHQLT-SNVBAGLBSA-N 1 0 310.191 3.941 20 10 DHCDRO COCC1([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000777238192 1033802566 /nfs/dbraw/zinc/80/25/66/1033802566.db2.gz QCTSWMHNOWBOMD-AWEZNQCLSA-N 1 0 306.425 3.646 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CC(F)(F)C3)CC2)cc1 ZINC000862274059 1033807409 /nfs/dbraw/zinc/80/74/09/1033807409.db2.gz CSNAGASOQOSSCL-CYBMUJFWSA-N 1 0 324.415 3.687 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862394426 1033840097 /nfs/dbraw/zinc/84/00/97/1033840097.db2.gz JCIWOPQRUYRGHD-CQSZACIVSA-N 1 0 315.436 3.624 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1O ZINC000862478558 1033864071 /nfs/dbraw/zinc/86/40/71/1033864071.db2.gz JQNOIVYRGWLWLR-CQSZACIVSA-N 1 0 315.413 3.526 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1O ZINC000862485588 1033864745 /nfs/dbraw/zinc/86/47/45/1033864745.db2.gz PVELJHGGVXUYCZ-ZDUSSCGKSA-N 1 0 315.413 3.823 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C)cs1 ZINC000174498393 1033937792 /nfs/dbraw/zinc/93/77/92/1033937792.db2.gz SNFICDDFMPJBAI-QGZVFWFLSA-N 1 0 302.443 3.801 20 10 DHCDRO COc1cccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1O ZINC000175989841 1034060757 /nfs/dbraw/zinc/06/07/57/1034060757.db2.gz ASPDDXBPHRXWRS-UHFFFAOYSA-N 1 0 307.340 3.704 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000863315897 1034061111 /nfs/dbraw/zinc/06/11/11/1034061111.db2.gz HORFMJMRUFDHQY-OAHLLOKOSA-N 1 0 309.425 3.559 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC000879649322 1034071462 /nfs/dbraw/zinc/07/14/62/1034071462.db2.gz NEKYHPCKKMEEAH-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000879650690 1034074674 /nfs/dbraw/zinc/07/46/74/1034074674.db2.gz NQGPEARDJRTAFE-QMMMGPOBSA-N 1 0 302.321 3.718 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c1O ZINC000808695944 1034233737 /nfs/dbraw/zinc/23/37/37/1034233737.db2.gz QIDOURYFHOFSRH-BIBXISHDSA-N 1 0 317.882 3.552 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178425042 1034237565 /nfs/dbraw/zinc/23/75/65/1034237565.db2.gz JJIFEJDCPSQBHE-HOTGVXAUSA-N 1 0 320.452 3.893 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1C(C)C ZINC000794647377 1034311737 /nfs/dbraw/zinc/31/17/37/1034311737.db2.gz OYXFFVMKRZQSAW-IFXJQAMLSA-N 1 0 303.446 3.823 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183450455 1034387029 /nfs/dbraw/zinc/38/70/29/1034387029.db2.gz GKTQJCCRQNIRTK-LLVKDONJSA-N 1 0 319.788 3.668 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000183730528 1034417493 /nfs/dbraw/zinc/41/74/93/1034417493.db2.gz VQBICVSPAUUKCP-AWEZNQCLSA-N 1 0 300.402 3.769 20 10 DHCDRO Cc1c[nH+]ccc1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001174539369 1034456105 /nfs/dbraw/zinc/45/61/05/1034456105.db2.gz JBECYSIULBAOKS-UHFFFAOYSA-N 1 0 303.409 3.923 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794800558 1034470895 /nfs/dbraw/zinc/47/08/95/1034470895.db2.gz DBRUBLNEMPWHMS-CRAIPNDOSA-N 1 0 324.424 3.547 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(C)cc1O ZINC000794802666 1034473031 /nfs/dbraw/zinc/47/30/31/1034473031.db2.gz OCYTUCJYACALFT-CRAIPNDOSA-N 1 0 311.425 3.993 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccc(C)cc1O ZINC000794804321 1034487141 /nfs/dbraw/zinc/48/71/41/1034487141.db2.gz CUYQHGHTGATLKO-QGZVFWFLSA-N 1 0 314.429 3.962 20 10 DHCDRO CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C)cc1O ZINC000794807476 1034493010 /nfs/dbraw/zinc/49/30/10/1034493010.db2.gz YDTDDKUAYJDGTB-LJQANCHMSA-N 1 0 310.441 3.757 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000794808386 1034497640 /nfs/dbraw/zinc/49/76/40/1034497640.db2.gz ASFLLGPCQGDFKC-MNEFBYGVSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000184918496 1034511855 /nfs/dbraw/zinc/51/18/55/1034511855.db2.gz HYVRLZVELMXIKO-QFYYESIMSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c(O)c1 ZINC000184973466 1034514267 /nfs/dbraw/zinc/51/42/67/1034514267.db2.gz VLIFICFBSPDAAR-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000184998926 1034519017 /nfs/dbraw/zinc/51/90/17/1034519017.db2.gz QGOCZFZXJGXRBG-CABCVRRESA-N 1 0 314.404 3.708 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000185019387 1034521137 /nfs/dbraw/zinc/52/11/37/1034521137.db2.gz CDLYEBOJTMRSOQ-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185012482 1034522197 /nfs/dbraw/zinc/52/21/97/1034522197.db2.gz NKBKWWJMECYPNI-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c(O)c1 ZINC000185093951 1034526735 /nfs/dbraw/zinc/52/67/35/1034526735.db2.gz RCGPDSWJFOXJQL-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(C)cc1O ZINC000794816039 1034527442 /nfs/dbraw/zinc/52/74/42/1034527442.db2.gz MTWZEMURWUUGPL-SFHVURJKSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1OC ZINC000185076812 1034528443 /nfs/dbraw/zinc/52/84/43/1034528443.db2.gz ACMAVNOMXZBQHZ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794824628 1034533903 /nfs/dbraw/zinc/53/39/03/1034533903.db2.gz KSKWEBYEFCFUIE-HIFRSBDPSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccccc1O ZINC000185210362 1034535251 /nfs/dbraw/zinc/53/52/51/1034535251.db2.gz NVYWVBSXNCBOFY-GOSISDBHSA-N 1 0 312.413 3.634 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(O)c1 ZINC000185232554 1034535667 /nfs/dbraw/zinc/53/56/67/1034535667.db2.gz UJUMFSZKVBQSSB-ZDUSSCGKSA-N 1 0 302.393 3.757 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1ccc(C)cc1O ZINC000794818437 1034536683 /nfs/dbraw/zinc/53/66/83/1034536683.db2.gz XCPVXZJXQRCZRI-CJNGLKHVSA-N 1 0 300.402 3.906 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1O ZINC000185312682 1034539584 /nfs/dbraw/zinc/53/95/84/1034539584.db2.gz JFFIUNDREUQBKU-PXAZEXFGSA-N 1 0 305.805 3.604 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1O ZINC000185300623 1034540516 /nfs/dbraw/zinc/54/05/16/1034540516.db2.gz FELNEEDGVAQBCP-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000185518539 1034553643 /nfs/dbraw/zinc/55/36/43/1034553643.db2.gz QBZFJUDQPLFONY-MEBBXXQBSA-N 1 0 311.834 3.665 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185528733 1034554847 /nfs/dbraw/zinc/55/48/47/1034554847.db2.gz HFSOWCLSQDHZDN-BMIGLBTASA-N 1 0 311.834 3.665 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185525140 1034554893 /nfs/dbraw/zinc/55/48/93/1034554893.db2.gz MECKTVWSYSCLFS-DZGCQCFKSA-N 1 0 319.832 3.862 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000185548159 1034556206 /nfs/dbraw/zinc/55/62/06/1034556206.db2.gz LCDQWQPRTYHNLP-MLGOLLRUSA-N 1 0 319.401 3.595 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000185547993 1034556264 /nfs/dbraw/zinc/55/62/64/1034556264.db2.gz LJHYWBPNTZDNML-CZUORRHYSA-N 1 0 303.402 3.894 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000185548013 1034557991 /nfs/dbraw/zinc/55/79/91/1034557991.db2.gz LJHYWBPNTZDNML-CJNGLKHVSA-N 1 0 303.402 3.894 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185648956 1034561960 /nfs/dbraw/zinc/56/19/60/1034561960.db2.gz LDBRBLYKIIIPOI-CYBMUJFWSA-N 1 0 306.425 3.589 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185840681 1034578982 /nfs/dbraw/zinc/57/89/82/1034578982.db2.gz KEXDXIKBPLYUFZ-JRPNMDOOSA-N 1 0 309.406 3.756 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc2c(cc1O)CCCC2 ZINC000186075503 1034594959 /nfs/dbraw/zinc/59/49/59/1034594959.db2.gz YEEFJOQIKIHUHI-UONOGXRCSA-N 1 0 305.462 3.719 20 10 DHCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000186131112 1034600850 /nfs/dbraw/zinc/60/08/50/1034600850.db2.gz WNNJUJFPCCLOJP-GXTWGEPZSA-N 1 0 309.413 3.859 20 10 DHCDRO C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186159709 1034605399 /nfs/dbraw/zinc/60/53/99/1034605399.db2.gz XGNBYHHTLXTETA-FZKQIMNGSA-N 1 0 315.388 3.696 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000186196349 1034607128 /nfs/dbraw/zinc/60/71/28/1034607128.db2.gz RQWYNWYUOFDARJ-GTNSWQLSSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120545080 1034633523 /nfs/dbraw/zinc/63/35/23/1034633523.db2.gz QGXRZPLWZIOYLL-INIZCTEOSA-N 1 0 317.454 3.943 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532501 1034639571 /nfs/dbraw/zinc/63/95/71/1034639571.db2.gz STYNFEHZFOXTNF-GUYCJALGSA-N 1 0 315.413 3.638 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ncc(C)s2)c1 ZINC000186770013 1034660383 /nfs/dbraw/zinc/66/03/83/1034660383.db2.gz UGGRPFTZGHIIJW-CMPLNLGQSA-N 1 0 306.431 3.620 20 10 DHCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(F)c1F ZINC001143611265 1034902789 /nfs/dbraw/zinc/90/27/89/1034902789.db2.gz WFKPFTBHXXUBCM-UHFFFAOYSA-N 1 0 304.384 3.971 20 10 DHCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000783981063 1035080769 /nfs/dbraw/zinc/08/07/69/1035080769.db2.gz RCUZLCJZOHRLJZ-UHFFFAOYSA-N 1 0 311.425 3.618 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1Cn1cccn1 ZINC001177093910 1035349097 /nfs/dbraw/zinc/34/90/97/1035349097.db2.gz VOIDHEVKCGONTE-QAPCUYQASA-N 1 0 313.445 3.608 20 10 DHCDRO CCOCc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC ZINC001177136392 1035352164 /nfs/dbraw/zinc/35/21/64/1035352164.db2.gz NDSDXOLWWSFZCC-UHFFFAOYSA-N 1 0 317.404 3.703 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)c(Cl)c1 ZINC001177278137 1035363245 /nfs/dbraw/zinc/36/32/45/1035363245.db2.gz RZUAPJAGRCYLCF-ZIAGYGMSSA-N 1 0 310.869 3.707 20 10 DHCDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356627 1035403786 /nfs/dbraw/zinc/40/37/86/1035403786.db2.gz XFHZUEVMKDFKAZ-LJQANCHMSA-N 1 0 308.425 3.761 20 10 DHCDRO CN(C)c1ccc(CNc2ccccc2C[NH3+])c(C(F)(F)F)c1 ZINC000904486914 1035419557 /nfs/dbraw/zinc/41/95/57/1035419557.db2.gz YPFKPOHLCDJIKU-UHFFFAOYSA-N 1 0 323.362 3.842 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000773756946 1035439669 /nfs/dbraw/zinc/43/96/69/1035439669.db2.gz XTUJNMNYKSUEEL-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC001178737730 1035444705 /nfs/dbraw/zinc/44/47/05/1035444705.db2.gz XCBKRSDTEOLIFF-AZUAARDMSA-N 1 0 318.505 3.954 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cc(C)n1 ZINC001178972239 1035458673 /nfs/dbraw/zinc/45/86/73/1035458673.db2.gz QTUJFHUGBHUCEN-OAHLLOKOSA-N 1 0 311.473 3.794 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773825139 1035499295 /nfs/dbraw/zinc/49/92/95/1035499295.db2.gz WVZXDAQJZAVDIN-MOPGFXCFSA-N 1 0 316.489 3.781 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC001179958013 1035559408 /nfs/dbraw/zinc/55/94/08/1035559408.db2.gz VIFAOEJRSHHGNX-LJQANCHMSA-N 1 0 311.425 3.607 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC001179967134 1035563058 /nfs/dbraw/zinc/56/30/58/1035563058.db2.gz ZDDICDPVYHSVPS-IBGZPJMESA-N 1 0 316.489 3.966 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001180052870 1035577005 /nfs/dbraw/zinc/57/70/05/1035577005.db2.gz WEIGVBXWAGLEDE-RDJZCZTQSA-N 1 0 307.459 3.569 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC001180185185 1035607252 /nfs/dbraw/zinc/60/72/52/1035607252.db2.gz XSWXMOJUVSOHJD-UXBLZVDNSA-N 1 0 324.468 3.650 20 10 DHCDRO CC(C)c1ccc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC001180249303 1035631636 /nfs/dbraw/zinc/63/16/36/1035631636.db2.gz HSXLLITXFNBGAW-SFHVURJKSA-N 1 0 302.462 3.576 20 10 DHCDRO COc1cc(C)cc(C[N@@H+](Cc2ccccn2)CC(C)C)c1O ZINC000905744952 1035640634 /nfs/dbraw/zinc/64/06/34/1035640634.db2.gz LAIXALKDWUIPCM-UHFFFAOYSA-N 1 0 314.429 3.762 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC001193615696 1035677122 /nfs/dbraw/zinc/67/71/22/1035677122.db2.gz DBZXGVMNVOHSEW-UHFFFAOYSA-N 1 0 304.478 3.660 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC001180557789 1035718705 /nfs/dbraw/zinc/71/87/05/1035718705.db2.gz GTYQAGPLAZQERX-UHFFFAOYSA-N 1 0 300.402 3.519 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001181085937 1035825988 /nfs/dbraw/zinc/82/59/88/1035825988.db2.gz HZRSXKXDCWTJHU-FUHWJXTLSA-N 1 0 301.361 3.541 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC001181163994 1035865505 /nfs/dbraw/zinc/86/55/05/1035865505.db2.gz VBMCFVUNLOZXRQ-IBGZPJMESA-N 1 0 313.441 3.599 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c(O)c1 ZINC001181212485 1035868467 /nfs/dbraw/zinc/86/84/67/1035868467.db2.gz FHLDMZFFLGKPPV-IBGZPJMESA-N 1 0 315.388 3.780 20 10 DHCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001181526228 1035935568 /nfs/dbraw/zinc/93/55/68/1035935568.db2.gz VKYNBMIHMBVCCT-ZIAGYGMSSA-N 1 0 309.837 3.684 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccccc2Cl)cc1OC ZINC000754148345 1036043275 /nfs/dbraw/zinc/04/32/75/1036043275.db2.gz HQAYDPBYTVWIEP-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1O ZINC000230934562 1036119251 /nfs/dbraw/zinc/11/92/51/1036119251.db2.gz QTSLUNVYOQKTOX-CHWSQXEVSA-N 1 0 315.866 3.818 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cnn(CCF)c1)C1CCCC1 ZINC000929636188 1036158914 /nfs/dbraw/zinc/15/89/14/1036158914.db2.gz QDNALIHHSMRHQQ-UHFFFAOYSA-N 1 0 317.408 3.503 20 10 DHCDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774274421 1036272978 /nfs/dbraw/zinc/27/29/78/1036272978.db2.gz SYOZPDXXKDFBNT-JTQLQIEISA-N 1 0 315.244 3.612 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000774379117 1036305535 /nfs/dbraw/zinc/30/55/35/1036305535.db2.gz RWYGORXKFZRVSC-QFBILLFUSA-N 1 0 312.457 3.794 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3[nH]ccc3c2)cc1 ZINC001182725217 1036437976 /nfs/dbraw/zinc/43/79/76/1036437976.db2.gz GXWSVWMKSUMBKX-UHFFFAOYSA-N 1 0 323.440 3.745 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163574626 1036505448 /nfs/dbraw/zinc/50/54/48/1036505448.db2.gz KBJXCUFMWNDDSY-GDBMZVCRSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000102424901 1036517297 /nfs/dbraw/zinc/51/72/97/1036517297.db2.gz RVAIGIJHANOXGV-KRZKXXONSA-N 1 0 322.452 3.887 20 10 DHCDRO Cc1cc(Cl)cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000775716738 1036524606 /nfs/dbraw/zinc/52/46/06/1036524606.db2.gz MXJXTJMONOJTCJ-INIZCTEOSA-N 1 0 310.869 3.660 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC001183155054 1036527110 /nfs/dbraw/zinc/52/71/10/1036527110.db2.gz AZTHZPJXECBZMN-UHFFFAOYSA-N 1 0 310.235 3.921 20 10 DHCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715826 1036532867 /nfs/dbraw/zinc/53/28/67/1036532867.db2.gz LVLIZCDEVBUWAA-NXHRZFHOSA-N 1 0 303.446 3.726 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC001183270356 1036562896 /nfs/dbraw/zinc/56/28/96/1036562896.db2.gz TYBRECBAKGAXSF-LJQANCHMSA-N 1 0 311.473 3.586 20 10 DHCDRO COc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3O)co2)c1 ZINC001197004117 1036668188 /nfs/dbraw/zinc/66/81/88/1036668188.db2.gz NPZZDUIKKLSEQR-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1O ZINC000153507755 1036687502 /nfs/dbraw/zinc/68/75/02/1036687502.db2.gz LCWUNABKJXYZFU-MRXNPFEDSA-N 1 0 301.361 3.877 20 10 DHCDRO Oc1c(C[NH2+]Cc2nc3ccccc3o2)ccc2ccccc21 ZINC001183908976 1036705439 /nfs/dbraw/zinc/70/54/39/1036705439.db2.gz IASOWVUWGMYGGG-UHFFFAOYSA-N 1 0 304.349 3.976 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2c(C)cccc2C)cc1OC ZINC001184034545 1036731210 /nfs/dbraw/zinc/73/12/10/1036731210.db2.gz DGKCTOPIGJLTLA-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@H]([NH2+]CCSC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000089516237 1036738670 /nfs/dbraw/zinc/73/86/70/1036738670.db2.gz PEPPLPDKNDKXEE-HNNXBMFYSA-N 1 0 322.518 3.706 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1O ZINC001184250597 1036787488 /nfs/dbraw/zinc/78/74/88/1036787488.db2.gz GBVVHLLGQPDWDF-DDTOSNHZSA-N 1 0 310.235 3.741 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1O ZINC001184250604 1036788184 /nfs/dbraw/zinc/78/81/84/1036788184.db2.gz GBVVHLLGQPDWDF-ZLKJLUDKSA-N 1 0 310.235 3.741 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762614041 1036874319 /nfs/dbraw/zinc/87/43/19/1036874319.db2.gz MFPADIDKLACWKT-MRVWCRGKSA-N 1 0 315.891 3.515 20 10 DHCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833703 1036988195 /nfs/dbraw/zinc/98/81/95/1036988195.db2.gz KNOBMLLGHVVJKA-LIRRHRJNSA-N 1 0 316.420 3.584 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c(O)c1 ZINC000315933959 1037063360 /nfs/dbraw/zinc/06/33/60/1037063360.db2.gz WBJLOGJFRMQFPM-PBHICJAKSA-N 1 0 301.434 3.663 20 10 DHCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC001326116496 1037111659 /nfs/dbraw/zinc/11/16/59/1037111659.db2.gz QXHPZRXHDIPVQL-MNOVXSKESA-N 1 0 313.825 3.817 20 10 DHCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761227723 1037373470 /nfs/dbraw/zinc/37/34/70/1037373470.db2.gz ACBZUFDQPJXHQF-SNVBAGLBSA-N 1 0 311.731 3.875 20 10 DHCDRO Fc1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC001199933120 1037377570 /nfs/dbraw/zinc/37/75/70/1037377570.db2.gz DZGRBDPANIKOOZ-OWOJBTEDSA-N 1 0 301.336 3.703 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCCc2c(F)cccc2Cl)c1 ZINC000775014847 1037399271 /nfs/dbraw/zinc/39/92/71/1037399271.db2.gz DSRSZRHUCANLOJ-UHFFFAOYSA-N 1 0 323.795 3.916 20 10 DHCDRO CCO[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000775028496 1037430865 /nfs/dbraw/zinc/43/08/65/1037430865.db2.gz RLYDFOUGZLLQIG-QGZVFWFLSA-N 1 0 305.805 3.913 20 10 DHCDRO COc1c([O-])c(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775033242 1037443444 /nfs/dbraw/zinc/44/34/44/1037443444.db2.gz NVTZUXOCLTUMCD-AAEUAGOBSA-N 1 0 322.405 3.613 20 10 DHCDRO CCOCCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001200990654 1037501903 /nfs/dbraw/zinc/50/19/03/1037501903.db2.gz ZIQDZTRDGKSGKA-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001203649752 1037524120 /nfs/dbraw/zinc/52/41/20/1037524120.db2.gz FIDNJARKJPMXGC-UHFFFAOYSA-N 1 0 310.235 3.777 20 10 DHCDRO CN1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 ZINC001203657022 1037611082 /nfs/dbraw/zinc/61/10/82/1037611082.db2.gz BYBXROQHCRTZLO-QGZVFWFLSA-N 1 0 316.832 3.534 20 10 DHCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC001201427393 1037666400 /nfs/dbraw/zinc/66/64/00/1037666400.db2.gz MATXTYJBMCYBQY-KRWDZBQOSA-N 1 0 300.446 3.564 20 10 DHCDRO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000913066356 1037715438 /nfs/dbraw/zinc/71/54/38/1037715438.db2.gz KNLKARAXNHHUAU-UHFFFAOYSA-N 1 0 303.352 3.791 20 10 DHCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@H]1OC ZINC001201617253 1037812407 /nfs/dbraw/zinc/81/24/07/1037812407.db2.gz HBXRLIYDKQMPRB-IAGOWNOFSA-N 1 0 308.441 3.575 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1 ZINC000154100182 1037820705 /nfs/dbraw/zinc/82/07/05/1037820705.db2.gz PKDZJOUOHORAIY-ZWKOTPCHSA-N 1 0 315.461 3.689 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000776232146 1037999631 /nfs/dbraw/zinc/99/96/31/1037999631.db2.gz SJQRYVQOHIQJKU-DGCLKSJQSA-N 1 0 317.351 3.859 20 10 DHCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000106479324 1038101762 /nfs/dbraw/zinc/10/17/62/1038101762.db2.gz ZTVVGRIQXNKECD-NRFANRHFSA-N 1 0 322.452 3.609 20 10 DHCDRO COCC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164327985 1038155227 /nfs/dbraw/zinc/15/52/27/1038155227.db2.gz WUQQGFFVQLEZTH-UHFFFAOYSA-N 1 0 321.461 3.557 20 10 DHCDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000164309738 1038155340 /nfs/dbraw/zinc/15/53/40/1038155340.db2.gz DALBJUXZGQQDCS-AWEZNQCLSA-N 1 0 321.461 3.557 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000164488818 1038203134 /nfs/dbraw/zinc/20/31/34/1038203134.db2.gz LMCVEGBZAJMZBO-MRXNPFEDSA-N 1 0 303.427 3.644 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCSC(F)(F)F)C2CC2)cc1 ZINC001190445228 1038311179 /nfs/dbraw/zinc/31/11/79/1038311179.db2.gz FHNTZIKCFRIFNR-UHFFFAOYSA-N 1 0 318.408 3.970 20 10 DHCDRO CC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccccc1O ZINC000775414916 1038393409 /nfs/dbraw/zinc/39/34/09/1038393409.db2.gz LKSDIQWOHRJVFR-RISCZKNCSA-N 1 0 306.431 3.797 20 10 DHCDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CC2)ccc1N1CCCCC1 ZINC000760712691 1038395900 /nfs/dbraw/zinc/39/59/00/1038395900.db2.gz JKJFTXFXDOPMDT-UHFFFAOYSA-N 1 0 315.417 3.617 20 10 DHCDRO CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001190904209 1038407041 /nfs/dbraw/zinc/40/70/41/1038407041.db2.gz KWTDIQYOSWXHCT-SFHVURJKSA-N 1 0 305.462 3.934 20 10 DHCDRO CCC(C)(C)CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001192107774 1038587256 /nfs/dbraw/zinc/58/72/56/1038587256.db2.gz MAUVEIBJQFCCTG-UHFFFAOYSA-N 1 0 308.441 3.783 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1O ZINC000775500903 1038591311 /nfs/dbraw/zinc/59/13/11/1038591311.db2.gz AOUOMFBMKDREIC-MRXNPFEDSA-N 1 0 305.805 3.779 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1O ZINC000775508676 1038593195 /nfs/dbraw/zinc/59/31/95/1038593195.db2.gz DWVQIPHAWHOCPT-YUDUHTQSSA-N 1 0 309.837 3.900 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775508448 1038593348 /nfs/dbraw/zinc/59/33/48/1038593348.db2.gz CGPAIJBLJHDQNJ-DZGCQCFKSA-N 1 0 309.793 3.721 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775503882 1038598577 /nfs/dbraw/zinc/59/85/77/1038598577.db2.gz OTOSSOQOPLODQO-LBPRGKRZSA-N 1 0 324.774 3.580 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000775522198 1038625455 /nfs/dbraw/zinc/62/54/55/1038625455.db2.gz MAEOBEUMVFLYAI-GDBMZVCRSA-N 1 0 313.397 3.663 20 10 DHCDRO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2cc(Cl)ccc2O)[nH]1 ZINC000775523868 1038635984 /nfs/dbraw/zinc/63/59/84/1038635984.db2.gz AHZPHGIFSLLGFP-JOYOIKCWSA-N 1 0 308.813 3.528 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000775555218 1038711642 /nfs/dbraw/zinc/71/16/42/1038711642.db2.gz UHSULFRQAZBIMO-KBPBESRZSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157460524 1038984879 /nfs/dbraw/zinc/98/48/79/1038984879.db2.gz VWEHNTCADCZZMV-BEFAXECRSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 ZINC000171380919 1039456969 /nfs/dbraw/zinc/45/69/69/1039456969.db2.gz JLTQLYNGOUMMPW-OAHLLOKOSA-N 1 0 322.452 3.855 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227711820 1040365833 /nfs/dbraw/zinc/36/58/33/1040365833.db2.gz MFRUPLURYUZHMO-HIFRSBDPSA-N 1 0 322.449 3.736 20 10 DHCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000093643820 193280083 /nfs/dbraw/zinc/28/00/83/193280083.db2.gz GCEYNGOCJYGTGA-PXNSSMCTSA-N 1 0 315.505 3.591 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1O ZINC000021810614 182291850 /nfs/dbraw/zinc/29/18/50/182291850.db2.gz RONNXXCMUDOCAN-HUUCEWRRSA-N 1 0 304.459 3.797 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1O ZINC000021810616 182291862 /nfs/dbraw/zinc/29/18/62/182291862.db2.gz RONNXXCMUDOCAN-LSDHHAIUSA-N 1 0 304.459 3.797 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1O ZINC000022169318 182312157 /nfs/dbraw/zinc/31/21/57/182312157.db2.gz XBDUNJDNEQZDGP-ZDUSSCGKSA-N 1 0 310.191 3.989 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000271439961 129913941 /nfs/dbraw/zinc/91/39/41/129913941.db2.gz FARHHCLJHKZEMG-ZVZYQTTQSA-N 1 0 304.478 3.997 20 10 DHCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271486368 129923020 /nfs/dbraw/zinc/92/30/20/129923020.db2.gz KIDHRUFUKJWVQU-CVEARBPZSA-N 1 0 322.468 3.875 20 10 DHCDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1O)CC3 ZINC000273068398 130087091 /nfs/dbraw/zinc/08/70/91/130087091.db2.gz MTVMWRNZCHPQTO-AWEZNQCLSA-N 1 0 322.408 3.529 20 10 DHCDRO CSC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000273348109 130109336 /nfs/dbraw/zinc/10/93/36/130109336.db2.gz BFDNBUJGEJYIJP-CQSZACIVSA-N 1 0 309.475 3.572 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1C ZINC000273379310 130114830 /nfs/dbraw/zinc/11/48/30/130114830.db2.gz HVVUEUXVZMCYAL-AWEZNQCLSA-N 1 0 313.397 3.631 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1C ZINC000273539511 130134126 /nfs/dbraw/zinc/13/41/26/130134126.db2.gz XZVBDJVUIZNOGL-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553565 130135596 /nfs/dbraw/zinc/13/55/96/130135596.db2.gz GLGLXFGFAOHNJV-ZJUUUORDSA-N 1 0 305.249 3.690 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1C ZINC000273565266 130136177 /nfs/dbraw/zinc/13/61/77/130136177.db2.gz JGCZEQFMLCOQLV-GUYCJALGSA-N 1 0 305.443 3.629 20 10 DHCDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275059186 130288386 /nfs/dbraw/zinc/28/83/86/130288386.db2.gz PAFGUEOBIIFJEJ-APWZRJJASA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccn(C)c2)c1O ZINC000275344186 130307617 /nfs/dbraw/zinc/30/76/17/130307617.db2.gz PIDDKTUKXBDDDX-LLVKDONJSA-N 1 0 323.234 3.652 20 10 DHCDRO COc1ncc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000284120112 131050317 /nfs/dbraw/zinc/05/03/17/131050317.db2.gz CNYYKCKLVIWDJU-LBPRGKRZSA-N 1 0 319.836 3.660 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284313305 131069641 /nfs/dbraw/zinc/06/96/41/131069641.db2.gz ZINUMWIQQRPODZ-CYBMUJFWSA-N 1 0 302.418 3.973 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(OC)c(OC)c1 ZINC000285519440 131177116 /nfs/dbraw/zinc/17/71/16/131177116.db2.gz OFDFHJXPWKTVRF-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000285651082 131189957 /nfs/dbraw/zinc/18/99/57/131189957.db2.gz YLWSJGHCVTUNBK-QAPCUYQASA-N 1 0 311.425 3.821 20 10 DHCDRO C[C@H]1CCCN(c2ccc(C[NH2+]CC3(C)COC3)cc2Cl)C1 ZINC000285981602 131213535 /nfs/dbraw/zinc/21/35/35/131213535.db2.gz OAEZDPWXNYSAPM-AWEZNQCLSA-N 1 0 322.880 3.702 20 10 DHCDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000287111454 131264791 /nfs/dbraw/zinc/26/47/91/131264791.db2.gz QPSIZIAAEJNKID-SJKOYZFVSA-N 1 0 320.383 3.624 20 10 DHCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000289378161 131380639 /nfs/dbraw/zinc/38/06/39/131380639.db2.gz BMAQILHQFHDGIU-UHFFFAOYSA-N 1 0 308.809 3.984 20 10 DHCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCCC2)cc1 ZINC000289598051 131399671 /nfs/dbraw/zinc/39/96/71/131399671.db2.gz CLKVWWRZBUYGAH-INIZCTEOSA-N 1 0 312.461 3.683 20 10 DHCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000297386601 132013503 /nfs/dbraw/zinc/01/35/03/132013503.db2.gz RKXNCHIWIZFMHW-ONGXEEELSA-N 1 0 309.303 3.539 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc2n1 ZINC000297890548 132038995 /nfs/dbraw/zinc/03/89/95/132038995.db2.gz VNDLHEDSNPFXBS-QGZVFWFLSA-N 1 0 320.392 3.726 20 10 DHCDRO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000299193676 132093506 /nfs/dbraw/zinc/09/35/06/132093506.db2.gz GZNMRKWEIIZDPV-UHFFFAOYSA-N 1 0 301.459 3.682 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090224792 331822510 /nfs/dbraw/zinc/82/25/10/331822510.db2.gz KFHOVRLZNBCWFE-SFHVURJKSA-N 1 0 313.401 3.902 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1 ZINC000293898628 335115513 /nfs/dbraw/zinc/11/55/13/335115513.db2.gz WINRCNQGFRKZSL-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000295140154 335132560 /nfs/dbraw/zinc/13/25/60/335132560.db2.gz PRTCVBVVBLWNKJ-CQSZACIVSA-N 1 0 319.788 3.537 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000121094343 333320716 /nfs/dbraw/zinc/32/07/16/333320716.db2.gz JPPVFBQHCYKPTC-LJQANCHMSA-N 1 0 321.424 3.878 20 10 DHCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186075338 333372002 /nfs/dbraw/zinc/37/20/02/333372002.db2.gz UUCOXDKBIOHWKT-KBPBESRZSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296450618 335142340 /nfs/dbraw/zinc/14/23/40/335142340.db2.gz MSTYYNKQLLRSQC-IRXDYDNUSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296554411 335146253 /nfs/dbraw/zinc/14/62/53/335146253.db2.gz RSESZWHZQYIYBW-IAGOWNOFSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297131673 335148948 /nfs/dbraw/zinc/14/89/48/335148948.db2.gz YZZVZAIBDZTFDP-WBAXXEDZSA-N 1 0 311.425 3.524 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000297250608 335152304 /nfs/dbraw/zinc/15/23/04/335152304.db2.gz JGNZJOXEMSSCPD-QWRGUYRKSA-N 1 0 304.321 3.851 20 10 DHCDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273460893 334047325 /nfs/dbraw/zinc/04/73/25/334047325.db2.gz CQAJPYAHJJYCID-CYBMUJFWSA-N 1 0 304.459 3.921 20 10 DHCDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)[nH]1 ZINC000273466279 334047549 /nfs/dbraw/zinc/04/75/49/334047549.db2.gz IWYFDHZBBPMVQM-NWDGAFQWSA-N 1 0 310.401 3.638 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000281210491 334123894 /nfs/dbraw/zinc/12/38/94/334123894.db2.gz UEBMMPDZQRSTIK-SECBINFHSA-N 1 0 305.752 3.579 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000282296650 334132985 /nfs/dbraw/zinc/13/29/85/334132985.db2.gz MAOVJYJZANNERZ-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c(O)c1 ZINC000367309399 336624793 /nfs/dbraw/zinc/62/47/93/336624793.db2.gz WDJRFVNZKJPXHQ-UHFFFAOYSA-N 1 0 319.351 3.715 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)c1cc(F)ccc1O ZINC000368582112 336848418 /nfs/dbraw/zinc/84/84/18/336848418.db2.gz DTEBVKXDXWXRIN-YMNVWFMLSA-N 1 0 305.324 3.843 20 10 DHCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000368995869 336856445 /nfs/dbraw/zinc/85/64/45/336856445.db2.gz UXPDEVBGRSUQJS-SWLSCSKDSA-N 1 0 317.408 3.517 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000371868830 336915198 /nfs/dbraw/zinc/91/51/98/336915198.db2.gz CERMXNUEFCEGAB-CXAGYDPISA-N 1 0 313.397 3.884 20 10 DHCDRO COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000373267460 336954919 /nfs/dbraw/zinc/95/49/19/336954919.db2.gz KXDDRUCOOJBGQP-XJKSGUPXSA-N 1 0 313.397 3.884 20 10 DHCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000374335656 336987415 /nfs/dbraw/zinc/98/74/15/336987415.db2.gz ZWTRIQNEEQXJMH-FQEVSTJZSA-N 1 0 318.420 3.822 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000374574030 336992628 /nfs/dbraw/zinc/99/26/28/336992628.db2.gz FIAMBROGQYWPHV-OKDNKWQNSA-N 1 0 302.462 3.607 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000375243242 337006427 /nfs/dbraw/zinc/00/64/27/337006427.db2.gz VWZARFYSHDYZNC-MEBBXXQBSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000375345294 337008494 /nfs/dbraw/zinc/00/84/94/337008494.db2.gz NCQTZFJVCGEZAF-BDJLRTHQSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1O ZINC000375531174 337012897 /nfs/dbraw/zinc/01/28/97/337012897.db2.gz ZPMLVTZMZIMWRM-YQVWRLOYSA-N 1 0 303.446 3.606 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(c2ccnn2CC)CC1 ZINC000377618272 337056423 /nfs/dbraw/zinc/05/64/23/337056423.db2.gz CAIXNOHKWBJTMS-QGZVFWFLSA-N 1 0 313.445 3.939 20 10 DHCDRO Cc1c([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)cnn1C ZINC000378446480 337073018 /nfs/dbraw/zinc/07/30/18/337073018.db2.gz YXVYRYVFVYJQTP-MRXNPFEDSA-N 1 0 319.836 3.733 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ncoc1-c1ccccc1 ZINC000360035853 337084171 /nfs/dbraw/zinc/08/41/71/337084171.db2.gz KYLWJTBVAJQJRA-UHFFFAOYSA-N 1 0 314.772 3.990 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000179611192 337170594 /nfs/dbraw/zinc/17/05/94/337170594.db2.gz FTTVUCLABMQLJI-UHFFFAOYSA-N 1 0 324.424 3.551 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183551513 337192187 /nfs/dbraw/zinc/19/21/87/337192187.db2.gz VQIMMWMPGJTSBG-CHWSQXEVSA-N 1 0 318.367 3.600 20 10 DHCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc2ccccc2c1O ZINC000185466139 337205550 /nfs/dbraw/zinc/20/55/50/337205550.db2.gz MZAUMMKSDFRHRV-NQZBTDCJSA-N 1 0 319.404 3.854 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000187295369 337264755 /nfs/dbraw/zinc/26/47/55/337264755.db2.gz OEYKQTNUKVIIIG-YGWPLHOASA-N 1 0 314.473 3.895 20 10 DHCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCN2C ZINC000188874931 337275884 /nfs/dbraw/zinc/27/58/84/337275884.db2.gz NRWXDMDFABLCFN-GOSISDBHSA-N 1 0 308.425 3.601 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000246235195 337523665 /nfs/dbraw/zinc/52/36/65/337523665.db2.gz REXCNXMXUUCDNA-IPMKNSEASA-N 1 0 314.473 3.580 20 10 DHCDRO COc1ccc([C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C2CC2)cn1 ZINC000527842711 337767995 /nfs/dbraw/zinc/76/79/95/337767995.db2.gz YBCXRHADIBOIOB-IBGZPJMESA-N 1 0 312.413 3.654 20 10 DHCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475189316 339440724 /nfs/dbraw/zinc/44/07/24/339440724.db2.gz GGLNNDBYJRMXKW-SFHVURJKSA-N 1 0 322.452 3.834 20 10 DHCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179320 520632112 /nfs/dbraw/zinc/63/21/12/520632112.db2.gz RZULGWVDCYQGTM-CHWSQXEVSA-N 1 0 314.420 3.832 20 10 DHCDRO CCCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000265097230 520881566 /nfs/dbraw/zinc/88/15/66/520881566.db2.gz QINLRUKZBDNESE-UHFFFAOYSA-N 1 0 315.413 3.870 20 10 DHCDRO CCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000159313619 521579572 /nfs/dbraw/zinc/57/95/72/521579572.db2.gz ZCGQCLFZOMLXIT-KRWDZBQOSA-N 1 0 315.505 3.812 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136730976 522212018 /nfs/dbraw/zinc/21/20/18/522212018.db2.gz JGWLZATXICRYLN-QGZVFWFLSA-N 1 0 302.462 3.724 20 10 DHCDRO COC(C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)OC ZINC000162153201 522528883 /nfs/dbraw/zinc/52/88/83/522528883.db2.gz RAFDCXUSYSEONE-HNNXBMFYSA-N 1 0 315.413 3.574 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317670 522754016 /nfs/dbraw/zinc/75/40/16/522754016.db2.gz KNMVURVDZIIFLV-GJZGRUSLSA-N 1 0 314.433 3.683 20 10 DHCDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000157457957 522761300 /nfs/dbraw/zinc/76/13/00/522761300.db2.gz CBDRYYUHWUMERX-LAQRGFTBSA-N 1 0 301.430 3.781 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000157457799 522930805 /nfs/dbraw/zinc/93/08/05/522930805.db2.gz CBDRYYUHWUMERX-IDCNUPLLSA-N 1 0 301.430 3.781 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Br)ccc1O ZINC000229564777 522941048 /nfs/dbraw/zinc/94/10/48/522941048.db2.gz WFXLDRIPPAJPIK-NOZJJQNGSA-N 1 0 324.222 3.680 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OC)c1 ZINC000182315181 524763943 /nfs/dbraw/zinc/76/39/43/524763943.db2.gz YOQWKTOJGYLYBH-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000183379178 525476909 /nfs/dbraw/zinc/47/69/09/525476909.db2.gz IPIVPVAPQKCYLI-WBVHZDCISA-N 1 0 314.429 3.863 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852128 525744020 /nfs/dbraw/zinc/74/40/20/525744020.db2.gz JIPIOCXGEAONSD-FOIQADDNSA-N 1 0 321.424 3.874 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000191129606 525920745 /nfs/dbraw/zinc/92/07/45/525920745.db2.gz KZPHNXNRMYIENJ-AWEZNQCLSA-N 1 0 314.477 3.863 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c(O)c1 ZINC000365154446 525940816 /nfs/dbraw/zinc/94/08/16/525940816.db2.gz GPCFVITWYPCATD-NBQZKYEYSA-N 1 0 311.425 3.647 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158092122 525944032 /nfs/dbraw/zinc/94/40/32/525944032.db2.gz PSIOSHHKCDUGGU-CVEARBPZSA-N 1 0 314.429 3.836 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccccc1O ZINC000274760435 535809212 /nfs/dbraw/zinc/80/92/12/535809212.db2.gz JXOMKQVGSHXOMZ-SJORKVTESA-N 1 0 313.397 3.965 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000285478379 535919091 /nfs/dbraw/zinc/91/90/91/535919091.db2.gz BGQIWFBIMRTIFL-SFHVURJKSA-N 1 0 316.420 3.834 20 10 DHCDRO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000777968500 1032065595 /nfs/dbraw/zinc/06/55/95/1032065595.db2.gz LBLZWGYOYNWJJU-QGZVFWFLSA-N 1 0 321.461 3.555 20 10 DHCDRO COc1ccc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1C ZINC000740006319 1013352332 /nfs/dbraw/zinc/35/23/32/1013352332.db2.gz KCTQUMDFZLKQKX-KUHUBIRLSA-N 1 0 305.462 3.671 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)c1O ZINC000894457434 1013372324 /nfs/dbraw/zinc/37/23/24/1013372324.db2.gz AKAGMBVSRWOAPQ-UHFFFAOYSA-N 1 0 311.303 3.767 20 10 DHCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CS1 ZINC000754125168 1013408780 /nfs/dbraw/zinc/40/87/80/1013408780.db2.gz VSRJTWGOERSJOL-FUHWJXTLSA-N 1 0 304.503 3.689 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1O ZINC000894535946 1013411234 /nfs/dbraw/zinc/41/12/34/1013411234.db2.gz ZCSVMTZMPUHFLY-LBPRGKRZSA-N 1 0 305.340 3.776 20 10 DHCDRO CCO[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894575803 1013422377 /nfs/dbraw/zinc/42/23/77/1013422377.db2.gz LFOWTOVAHOOUCE-SFHVURJKSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2C)c(O)c1OC ZINC000894625988 1013437978 /nfs/dbraw/zinc/43/79/78/1013437978.db2.gz JKURBBUMPZCSOB-UHFFFAOYSA-N 1 0 315.413 3.743 20 10 DHCDRO COc1ccccc1CC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000729465719 1013456353 /nfs/dbraw/zinc/45/63/53/1013456353.db2.gz ISTQWBZFBUNDKG-UHFFFAOYSA-N 1 0 311.425 3.564 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2c(F)cccc2SC)c1O ZINC000894739139 1013475112 /nfs/dbraw/zinc/47/51/12/1013475112.db2.gz JIWCBUSWKKYHIH-UHFFFAOYSA-N 1 0 321.417 3.860 20 10 DHCDRO CC[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)CC(F)(F)F ZINC000894991626 1013765441 /nfs/dbraw/zinc/76/54/41/1013765441.db2.gz HSTMBZRDEGKRQQ-NSHDSACASA-N 1 0 305.340 3.777 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000074336377 1013847291 /nfs/dbraw/zinc/84/72/91/1013847291.db2.gz OPLMQCKUGCMQJU-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000809713570 1026600986 /nfs/dbraw/zinc/60/09/86/1026600986.db2.gz UAQGPRSJYVOABS-KGLIPLIRSA-N 1 0 310.235 3.823 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000160553639 1014237089 /nfs/dbraw/zinc/23/70/89/1014237089.db2.gz JRRPQQJGADLHRX-CQSZACIVSA-N 1 0 315.436 3.809 20 10 DHCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)cc(F)c1[O-] ZINC000760040669 1014345071 /nfs/dbraw/zinc/34/50/71/1014345071.db2.gz VDLZXMDBRAWFAV-LURJTMIESA-N 1 0 324.140 3.742 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000019231059 1014365291 /nfs/dbraw/zinc/36/52/91/1014365291.db2.gz RACCGLNUJGSKHD-UHFFFAOYSA-N 1 0 318.829 3.988 20 10 DHCDRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000067449729 1014450879 /nfs/dbraw/zinc/45/08/79/1014450879.db2.gz UPCFOEFQOYUUHP-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC000706822040 1014621134 /nfs/dbraw/zinc/62/11/34/1014621134.db2.gz WRFIIQROQZDBRZ-MGULZYLOSA-N 1 0 310.235 3.823 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CCc1ccc(F)cc1 ZINC000706842413 1014653757 /nfs/dbraw/zinc/65/37/57/1014653757.db2.gz HWZWDSZWCKLLLE-UHFFFAOYSA-N 1 0 324.193 3.626 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)ccn1 ZINC000834859627 1014824834 /nfs/dbraw/zinc/82/48/34/1014824834.db2.gz GIWWHPCZPGGESY-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c(O)c1OC ZINC000891499141 1015328126 /nfs/dbraw/zinc/32/81/26/1015328126.db2.gz NGGOVKXBDYKTGI-CYBMUJFWSA-N 1 0 313.397 3.529 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)c(O)c1OC ZINC000891558231 1015389852 /nfs/dbraw/zinc/38/98/52/1015389852.db2.gz BNPHSMNDKHLCLD-MRXNPFEDSA-N 1 0 313.397 3.529 20 10 DHCDRO CCc1cc(C[N@H+]2CCOC[C@@H]2CC)c(O)c(C(C)(C)C)c1 ZINC000738085243 1015397407 /nfs/dbraw/zinc/39/74/07/1015397407.db2.gz RWLVCSKEHAPNOM-INIZCTEOSA-N 1 0 305.462 3.863 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c(O)c1OC ZINC000891618105 1015448994 /nfs/dbraw/zinc/44/89/94/1015448994.db2.gz NJUIDWHAQTUQQJ-AWEZNQCLSA-N 1 0 319.426 3.808 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c1 ZINC000896804796 1015746955 /nfs/dbraw/zinc/74/69/55/1015746955.db2.gz XMUKDTGLTGRXPV-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000780497579 1015781481 /nfs/dbraw/zinc/78/14/81/1015781481.db2.gz MJXDYHLAOBZIFR-HNNXBMFYSA-N 1 0 317.351 3.552 20 10 DHCDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c(O)c1OC ZINC000892036769 1016140926 /nfs/dbraw/zinc/14/09/26/1016140926.db2.gz QADKMFAKQUHHSP-VNHYZAJKSA-N 1 0 305.418 3.562 20 10 DHCDRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000184963518 1016468110 /nfs/dbraw/zinc/46/81/10/1016468110.db2.gz BMDOPFMDXYUODT-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000184998649 1016489829 /nfs/dbraw/zinc/48/98/29/1016489829.db2.gz YRARBMVJBWRLHP-SJORKVTESA-N 1 0 310.441 3.878 20 10 DHCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185034240 1016523928 /nfs/dbraw/zinc/52/39/28/1016523928.db2.gz FNUKFEGWKZASNT-CABCVRRESA-N 1 0 308.441 3.694 20 10 DHCDRO Cc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001167558575 1016533953 /nfs/dbraw/zinc/53/39/53/1016533953.db2.gz PEVSMZQAHBLIES-ROUUACIJSA-N 1 0 304.503 3.921 20 10 DHCDRO Cc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)ccc1N(C)C ZINC001167558574 1016535242 /nfs/dbraw/zinc/53/52/42/1016535242.db2.gz PEVSMZQAHBLIES-QZTJIDSGSA-N 1 0 304.503 3.921 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1O ZINC000185080163 1016547989 /nfs/dbraw/zinc/54/79/89/1016547989.db2.gz BHTSYWYWUNHAEX-SJCJKPOMSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000185457342 1016936007 /nfs/dbraw/zinc/93/60/07/1016936007.db2.gz PUPOSXCHYZPWTE-GOEBONIOSA-N 1 0 314.404 3.851 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1cncc(F)c1 ZINC000840770521 1016938851 /nfs/dbraw/zinc/93/88/51/1016938851.db2.gz RYHNFHUUJMMBIQ-BHDSKKPTSA-N 1 0 304.340 3.965 20 10 DHCDRO Cc1cnc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185569211 1017017533 /nfs/dbraw/zinc/01/75/33/1017017533.db2.gz SBNDCHXNHXMCJC-GFCCVEGCSA-N 1 0 302.443 3.887 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1 ZINC000185568526 1017015230 /nfs/dbraw/zinc/01/52/30/1017015230.db2.gz DRSZVIMOPYKELX-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)Oc1ccccc1F ZINC000185576478 1017019468 /nfs/dbraw/zinc/01/94/68/1017019468.db2.gz KRPUMXYMGIKVOP-RYUDHWBXSA-N 1 0 307.340 3.789 20 10 DHCDRO CCSCC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152821866 1017022047 /nfs/dbraw/zinc/02/20/47/1017022047.db2.gz AGLWGXVATFTALK-HNNXBMFYSA-N 1 0 322.518 3.785 20 10 DHCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185605910 1017050272 /nfs/dbraw/zinc/05/02/72/1017050272.db2.gz QXTTXXYKEOFBDP-HUUCEWRRSA-N 1 0 305.462 3.720 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000192744003 1017053085 /nfs/dbraw/zinc/05/30/85/1017053085.db2.gz UZZZUUXUMQIMRK-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccsc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475191472 1017053576 /nfs/dbraw/zinc/05/35/76/1017053576.db2.gz DFLNVVYVQYAUTB-UHFFFAOYSA-N 1 0 300.427 3.847 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1N(C)C ZINC000475199110 1017077084 /nfs/dbraw/zinc/07/70/84/1017077084.db2.gz SNFBWOZSGUDTAW-UHFFFAOYSA-N 1 0 307.441 3.843 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000877563266 1033357942 /nfs/dbraw/zinc/35/79/42/1033357942.db2.gz KCQYGGVRSSGISH-INIZCTEOSA-N 1 0 305.805 3.519 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000840882497 1017305706 /nfs/dbraw/zinc/30/57/06/1017305706.db2.gz WDFOYXULVKPRJT-AAEUAGOBSA-N 1 0 323.795 3.611 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773006319 1032520377 /nfs/dbraw/zinc/52/03/77/1032520377.db2.gz DFAXNIHUYDJSHR-TWOQFEAHSA-N 1 0 312.457 3.568 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012156 1032526522 /nfs/dbraw/zinc/52/65/22/1032526522.db2.gz VXIYJHAJMDFLQB-RBUKOAKNSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773038834 1032535408 /nfs/dbraw/zinc/53/54/08/1032535408.db2.gz HMFMBDFNJIQUBJ-RBUKOAKNSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773041017 1032536690 /nfs/dbraw/zinc/53/66/90/1032536690.db2.gz PSWYFELZVBQGAA-ROKHWSDSSA-N 1 0 308.853 3.626 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000093453353 1032539237 /nfs/dbraw/zinc/53/92/37/1032539237.db2.gz SMLJZPDSONCXSD-QGZVFWFLSA-N 1 0 312.413 3.831 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CO)CCCCC2)cc1 ZINC000773049648 1032540165 /nfs/dbraw/zinc/54/01/65/1032540165.db2.gz TXPTVZIRPOWGMS-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(N(C)C)cc1 ZINC000773045978 1032540510 /nfs/dbraw/zinc/54/05/10/1032540510.db2.gz KMYIYGCKUKNLDO-SJORKVTESA-N 1 0 318.486 3.897 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(N(C)C)cc1 ZINC000773065743 1032545448 /nfs/dbraw/zinc/54/54/48/1032545448.db2.gz QSTKDYDHLNIVPS-RKTMXUFFSA-N 1 0 306.453 3.989 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773105535 1032560819 /nfs/dbraw/zinc/56/08/19/1032560819.db2.gz HRSODDIBZQTWJH-RTWAWAEBSA-N 1 0 323.484 3.980 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000773107577 1032561967 /nfs/dbraw/zinc/56/19/67/1032561967.db2.gz XYFMGLBAPCVZID-OAHLLOKOSA-N 1 0 324.472 3.703 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1 ZINC000773108116 1032562288 /nfs/dbraw/zinc/56/22/88/1032562288.db2.gz OYNCRAYZMSHDNE-YJBOKZPZSA-N 1 0 306.494 3.836 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000773118208 1032564199 /nfs/dbraw/zinc/56/41/99/1032564199.db2.gz NFBQAPDKNBHYFT-CQSZACIVSA-N 1 0 324.415 3.752 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000797025764 1032567236 /nfs/dbraw/zinc/56/72/36/1032567236.db2.gz ITZQHRFTCFIQOM-XIKOKIGWSA-N 1 0 319.832 3.992 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160149195 1011901529 /nfs/dbraw/zinc/90/15/29/1011901529.db2.gz OSXDTRSWQJQKGA-HUUCEWRRSA-N 1 0 300.402 3.528 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1O ZINC000037128101 1012824283 /nfs/dbraw/zinc/82/42/83/1012824283.db2.gz OMHBTDGVWGEHRP-AWEZNQCLSA-N 1 0 301.411 3.728 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000037141559 1012840950 /nfs/dbraw/zinc/84/09/50/1012840950.db2.gz CBFFRGUCUONZRQ-VXGBXAGGSA-N 1 0 303.324 3.612 20 10 DHCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000776955924 1032662503 /nfs/dbraw/zinc/66/25/03/1032662503.db2.gz YIMOTPCKUVPLGM-JKSUJKDBSA-N 1 0 308.441 3.575 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000290354896 1012901930 /nfs/dbraw/zinc/90/19/30/1012901930.db2.gz QKBZXDOSYZHSCV-JKDFXYPNSA-N 1 0 305.805 3.818 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC000124941444 1032683305 /nfs/dbraw/zinc/68/33/05/1032683305.db2.gz NWVGNHIASRFCDM-LLVKDONJSA-N 1 0 307.340 3.872 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C1CC(OCc3ccccc3)C1)CC2 ZINC000716287488 1032691918 /nfs/dbraw/zinc/69/19/18/1032691918.db2.gz ZBYYSPJJUKFVJS-ABHNRTSZSA-N 1 0 309.409 3.717 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(C)n1-c1ccccc1 ZINC000857871998 1032695964 /nfs/dbraw/zinc/69/59/64/1032695964.db2.gz ZXYYEWKBQMAXSK-IBGZPJMESA-N 1 0 320.440 3.984 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@H](C)C(C)(C)C)CC2)cc1F ZINC001168069030 1017389204 /nfs/dbraw/zinc/38/92/04/1017389204.db2.gz QMIWNUSSYPDNBJ-AWEZNQCLSA-N 1 0 308.441 3.639 20 10 DHCDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000119041985 1017539218 /nfs/dbraw/zinc/53/92/18/1017539218.db2.gz NLKDSXCXWCMWLE-MRXNPFEDSA-N 1 0 302.462 3.897 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c(O)c1 ZINC000186000994 1017613373 /nfs/dbraw/zinc/61/33/73/1017613373.db2.gz NEFJIRXASFHOLH-GFCCVEGCSA-N 1 0 307.340 3.708 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(C)C ZINC000840967080 1017678282 /nfs/dbraw/zinc/67/82/82/1017678282.db2.gz KRAYEVBAQONOQJ-OALUTQOASA-N 1 0 304.478 3.562 20 10 DHCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000125795328 1032720449 /nfs/dbraw/zinc/72/04/49/1032720449.db2.gz BALSMSSJHYCCGY-DLBZAZTESA-N 1 0 303.494 3.524 20 10 DHCDRO C1=CC[C@@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000120830548 1017810918 /nfs/dbraw/zinc/81/09/18/1017810918.db2.gz WELUMAHSTAKLRB-MRXNPFEDSA-N 1 0 302.487 3.686 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000325083932 1017819292 /nfs/dbraw/zinc/81/92/92/1017819292.db2.gz ZQUNSVBDQLZJJX-UHFFFAOYSA-N 1 0 314.473 3.582 20 10 DHCDRO C[C@H]([NH2+]CCCc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000186140824 1017912465 /nfs/dbraw/zinc/91/24/65/1017912465.db2.gz UPAPAFFRYVVBON-HNNXBMFYSA-N 1 0 310.441 3.949 20 10 DHCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701061507 1017997196 /nfs/dbraw/zinc/99/71/96/1017997196.db2.gz YSVXDIANKAFKOW-NWDGAFQWSA-N 1 0 316.264 3.528 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3cc(C)cc(C)c3O)CCC2)n1 ZINC000764114870 1018160419 /nfs/dbraw/zinc/16/04/19/1018160419.db2.gz YJFIEKIKEPPASO-UHFFFAOYSA-N 1 0 302.443 3.943 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000766091545 1018261716 /nfs/dbraw/zinc/26/17/16/1018261716.db2.gz BQWPHJRBVOBZOV-GOSISDBHSA-N 1 0 300.450 3.771 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000764716819 1018355742 /nfs/dbraw/zinc/35/57/42/1018355742.db2.gz LPFSJLMWHALJRS-MRXNPFEDSA-N 1 0 322.456 3.721 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000764883095 1018416989 /nfs/dbraw/zinc/41/69/89/1018416989.db2.gz PPWLHRBAELFWGI-IAGOWNOFSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000728564637 1018430492 /nfs/dbraw/zinc/43/04/92/1018430492.db2.gz RKSHFCIFGAWOAS-UHFFFAOYSA-N 1 0 323.436 3.838 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764933634 1018430963 /nfs/dbraw/zinc/43/09/63/1018430963.db2.gz QFUYVOVXKOOBDT-BRWVUGGUSA-N 1 0 303.494 3.524 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000178885889 1018482727 /nfs/dbraw/zinc/48/27/27/1018482727.db2.gz ZTTOQWJNDMBUOF-GOSISDBHSA-N 1 0 315.388 3.722 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000765145278 1018484186 /nfs/dbraw/zinc/48/41/86/1018484186.db2.gz BOZXDRRYNPGNRE-UHFFFAOYSA-N 1 0 313.388 3.872 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000125237838 1032771772 /nfs/dbraw/zinc/77/17/72/1032771772.db2.gz JVMLLVWNFRAVLD-QAPCUYQASA-N 1 0 314.429 3.654 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765332913 1018758534 /nfs/dbraw/zinc/75/85/34/1018758534.db2.gz DNQKPHBDASAGCQ-HLLBOEOZSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157545 1032785072 /nfs/dbraw/zinc/78/50/72/1032785072.db2.gz ZHERWYZPKUUHGB-SNVBAGLBSA-N 1 0 310.310 3.851 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765332912 1018759951 /nfs/dbraw/zinc/75/99/51/1018759951.db2.gz DNQKPHBDASAGCQ-BFYDXBDKSA-N 1 0 320.452 3.892 20 10 DHCDRO CS[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706829918 1018761960 /nfs/dbraw/zinc/76/19/60/1018761960.db2.gz GXSYRNWGZNJNRR-UWVGGRQHSA-N 1 0 316.264 3.528 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc2ccccc2n1C ZINC000921753457 1018766495 /nfs/dbraw/zinc/76/64/95/1018766495.db2.gz CVTOHLLSYGWSJN-AWEZNQCLSA-N 1 0 321.424 3.749 20 10 DHCDRO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765394217 1018772253 /nfs/dbraw/zinc/77/22/53/1018772253.db2.gz ANQJJEDPKMXSRU-SFHVURJKSA-N 1 0 322.456 3.843 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000706881306 1018772407 /nfs/dbraw/zinc/77/24/07/1018772407.db2.gz PEAOKEGYLAKMQX-VIFPVBQESA-N 1 0 320.177 3.680 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1 ZINC000765423298 1018781527 /nfs/dbraw/zinc/78/15/27/1018781527.db2.gz GLRNLSWPBKRWFW-OLZOCXBDSA-N 1 0 318.383 3.761 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765433165 1018782665 /nfs/dbraw/zinc/78/26/65/1018782665.db2.gz XUWDWIQXQLXWDA-HKUYNNGSSA-N 1 0 310.441 3.797 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CCC2CC(F)(F)C2)cc1F ZINC000858175954 1032788467 /nfs/dbraw/zinc/78/84/67/1032788467.db2.gz YMWXFVSOLKSBER-UHFFFAOYSA-N 1 0 304.331 3.556 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000765934250 1018880582 /nfs/dbraw/zinc/88/05/82/1018880582.db2.gz GJRHAIOBUUSGEY-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)(C)C)cn1 ZINC000921816509 1018898631 /nfs/dbraw/zinc/89/86/31/1018898631.db2.gz BEMKIPPMIJXARI-GOSISDBHSA-N 1 0 313.445 3.622 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2c(F)cc(C)cc2F)c1O ZINC000922946637 1018929608 /nfs/dbraw/zinc/92/96/08/1018929608.db2.gz LXIROVJZCCWWDR-UHFFFAOYSA-N 1 0 307.340 3.667 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278623439 1018945469 /nfs/dbraw/zinc/94/54/69/1018945469.db2.gz RQYLQWYARQGWLA-RLFYNMQTSA-N 1 0 320.452 3.892 20 10 DHCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000715707414 1018945842 /nfs/dbraw/zinc/94/58/42/1018945842.db2.gz FMHLGSAOIMDEPT-DZGCQCFKSA-N 1 0 317.429 3.524 20 10 DHCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765946127 1018955645 /nfs/dbraw/zinc/95/56/45/1018955645.db2.gz NSEZHJKMBQDHNA-QMTMVMCOSA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1N(C)C ZINC000765609552 1018998306 /nfs/dbraw/zinc/99/83/06/1018998306.db2.gz QDKHFVAATRDIMQ-CYBMUJFWSA-N 1 0 314.404 3.677 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2 ZINC000765608737 1018998718 /nfs/dbraw/zinc/99/87/18/1018998718.db2.gz JXVRQHKFXPPXLG-SFHVURJKSA-N 1 0 309.409 3.797 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(-c2ccccc2)c1 ZINC000765610040 1018998738 /nfs/dbraw/zinc/99/87/38/1018998738.db2.gz ULYBZNGGYAWPGU-OAHLLOKOSA-N 1 0 319.408 3.658 20 10 DHCDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000765610955 1019000832 /nfs/dbraw/zinc/00/08/32/1019000832.db2.gz ZLQZUALILISPSZ-NSHDSACASA-N 1 0 302.443 3.800 20 10 DHCDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765665691 1019031848 /nfs/dbraw/zinc/03/18/48/1019031848.db2.gz CCPLRKXXXSCCSL-OAHLLOKOSA-N 1 0 313.445 3.624 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C ZINC000785439802 1019115965 /nfs/dbraw/zinc/11/59/65/1019115965.db2.gz XHGOTAJHLDWFHO-HDMKZQKVSA-N 1 0 302.462 3.608 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000858239275 1032812784 /nfs/dbraw/zinc/81/27/84/1032812784.db2.gz KSONMPXGEXPYCY-UHFFFAOYSA-N 1 0 311.303 3.715 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000785458453 1019208891 /nfs/dbraw/zinc/20/88/91/1019208891.db2.gz BBHWRZYRQFUSPS-KRWDZBQOSA-N 1 0 304.503 3.766 20 10 DHCDRO Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2O)cccc1[N+](=O)[O-] ZINC000318230133 1019222867 /nfs/dbraw/zinc/22/28/67/1019222867.db2.gz HKIKZPBANBJRIH-LLVKDONJSA-N 1 0 304.321 3.599 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc2ccccc2c1O ZINC000192735298 1032824807 /nfs/dbraw/zinc/82/48/07/1032824807.db2.gz UVPNVKZONIFJAS-AUUYWEPGSA-N 1 0 307.393 3.930 20 10 DHCDRO Cc1cc(C[NH2+]Cc2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC000858294301 1032833304 /nfs/dbraw/zinc/83/33/04/1032833304.db2.gz XVNFYLPKVBLJIS-UHFFFAOYSA-N 1 0 308.429 3.724 20 10 DHCDRO c1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000092071563 1019500859 /nfs/dbraw/zinc/50/08/59/1019500859.db2.gz UQEIVHNXMUSVAA-SFHVURJKSA-N 1 0 324.472 3.780 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1O ZINC000858321190 1032847953 /nfs/dbraw/zinc/84/79/53/1032847953.db2.gz VJRSGTIXBASAEP-HNNXBMFYSA-N 1 0 303.789 3.831 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C ZINC000727432105 1019712374 /nfs/dbraw/zinc/71/23/74/1019712374.db2.gz ZWGJIADZDHOLNW-UZLBHIALSA-N 1 0 311.425 3.971 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC001171733325 1032851170 /nfs/dbraw/zinc/85/11/70/1032851170.db2.gz QUBLQUXQRGDIBP-JFIYKMOQSA-N 1 0 310.441 3.706 20 10 DHCDRO CO[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000728049925 1019866859 /nfs/dbraw/zinc/86/68/59/1019866859.db2.gz NRPLUIJMUPNBMF-CQSZACIVSA-N 1 0 311.381 3.902 20 10 DHCDRO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765991208 1020103322 /nfs/dbraw/zinc/10/33/22/1020103322.db2.gz BMOAHDFFZHDISP-XJKSGUPXSA-N 1 0 310.869 3.644 20 10 DHCDRO Oc1ccc(Cl)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000922525272 1020113875 /nfs/dbraw/zinc/11/38/75/1020113875.db2.gz KWNNJLLNSDVEDS-BBRMVZONSA-N 1 0 307.752 3.607 20 10 DHCDRO Oc1ccc(Cl)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000922525273 1020114420 /nfs/dbraw/zinc/11/44/20/1020114420.db2.gz KWNNJLLNSDVEDS-CJNGLKHVSA-N 1 0 307.752 3.607 20 10 DHCDRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765993023 1020165262 /nfs/dbraw/zinc/16/52/62/1020165262.db2.gz KPEPFHANNYERKX-CXAGYDPISA-N 1 0 322.880 3.788 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1cc(F)ccc1OC ZINC000922620921 1020166257 /nfs/dbraw/zinc/16/62/57/1020166257.db2.gz GAVUSVJOEGBEAY-OAHLLOKOSA-N 1 0 319.376 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000765995296 1020212168 /nfs/dbraw/zinc/21/21/68/1020212168.db2.gz UFMYNQWGQZJFSZ-DYVFJYSZSA-N 1 0 322.880 3.788 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000922702923 1020222281 /nfs/dbraw/zinc/22/22/81/1020222281.db2.gz BHDKBHZFKKJBFC-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000922846718 1020304136 /nfs/dbraw/zinc/30/41/36/1020304136.db2.gz XJCALOCFULJWCJ-AWEZNQCLSA-N 1 0 307.459 3.699 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000766008181 1020360743 /nfs/dbraw/zinc/36/07/43/1020360743.db2.gz QSJQZGBPZQQLJE-CVEARBPZSA-N 1 0 304.478 3.856 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000766008185 1020360786 /nfs/dbraw/zinc/36/07/86/1020360786.db2.gz QSJQZGBPZQQLJE-HZPDHXFCSA-N 1 0 304.478 3.856 20 10 DHCDRO Cc1cc(C)cc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733325367 1020371769 /nfs/dbraw/zinc/37/17/69/1020371769.db2.gz KTZDPWCRRWVIHM-UHFFFAOYSA-N 1 0 316.420 3.677 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccccc1O ZINC000858442589 1032897680 /nfs/dbraw/zinc/89/76/80/1032897680.db2.gz KAPUWAICOWTUJT-IEBWSBKVSA-N 1 0 315.413 3.829 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922891302 1020402443 /nfs/dbraw/zinc/40/24/43/1020402443.db2.gz HNXPPUHSWKFKJF-ICSRJNTNSA-N 1 0 314.473 3.582 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463655 1020407055 /nfs/dbraw/zinc/40/70/55/1020407055.db2.gz FXSDEFBUEWSNAJ-MOPGFXCFSA-N 1 0 322.452 3.634 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000282567549 1020460548 /nfs/dbraw/zinc/46/05/48/1020460548.db2.gz YQEODEMKHNVKMQ-MSOLQXFVSA-N 1 0 312.461 3.604 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(O)c1 ZINC000282618103 1020471186 /nfs/dbraw/zinc/47/11/86/1020471186.db2.gz IUEAUFZLFQEJDF-SFHVURJKSA-N 1 0 319.445 3.620 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000186796412 1020480113 /nfs/dbraw/zinc/48/01/13/1020480113.db2.gz WAWGIIKHZJJIPN-LSBZLQRGSA-N 1 0 320.452 3.770 20 10 DHCDRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734005033 1020543667 /nfs/dbraw/zinc/54/36/67/1020543667.db2.gz PFDIHFHBMQOQPQ-PKOBYXMFSA-N 1 0 316.489 3.829 20 10 DHCDRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734005030 1020544139 /nfs/dbraw/zinc/54/41/39/1020544139.db2.gz PFDIHFHBMQOQPQ-HKUYNNGSSA-N 1 0 316.489 3.829 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042293 1020553095 /nfs/dbraw/zinc/55/30/95/1020553095.db2.gz GOCFPQQRNDRDCC-ICSRJNTNSA-N 1 0 324.472 3.969 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000858490192 1032915409 /nfs/dbraw/zinc/91/54/09/1032915409.db2.gz CTVWVHZYGQTULU-XJKSGUPXSA-N 1 0 310.869 3.818 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000735508569 1020741805 /nfs/dbraw/zinc/74/18/05/1020741805.db2.gz FRRYZCSKBDLMOD-HNNXBMFYSA-N 1 0 301.411 3.728 20 10 DHCDRO C[C@H]1SCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C ZINC000735668621 1020760216 /nfs/dbraw/zinc/76/02/16/1020760216.db2.gz JYLSQRJRDGTEAS-VXGBXAGGSA-N 1 0 309.475 3.721 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000187594031 1020806379 /nfs/dbraw/zinc/80/63/79/1020806379.db2.gz LJPNEKJRMJRNCL-LBPRGKRZSA-N 1 0 319.351 3.669 20 10 DHCDRO C[C@H]1CSCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738276414 1020866857 /nfs/dbraw/zinc/86/68/57/1020866857.db2.gz HZNPGGFSJSAHSP-LBPRGKRZSA-N 1 0 317.454 3.955 20 10 DHCDRO CCN(CC)c1ccc(CNCCC[NH+]2CCCCC2)cc1F ZINC000740000285 1020923007 /nfs/dbraw/zinc/92/30/07/1020923007.db2.gz AAUZFSFRUGFMGX-UHFFFAOYSA-N 1 0 321.484 3.638 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000740859203 1020955416 /nfs/dbraw/zinc/95/54/16/1020955416.db2.gz JHRQIDJWSYWAEU-OLZOCXBDSA-N 1 0 313.397 3.562 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2O)o1 ZINC000741259722 1020995853 /nfs/dbraw/zinc/99/58/53/1020995853.db2.gz AJTHSNCUJKXVRP-IBGZPJMESA-N 1 0 323.392 3.784 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2ccc(CO)o2)c(C)n1-c1ccccc1 ZINC000742366831 1021107185 /nfs/dbraw/zinc/10/71/85/1021107185.db2.gz VOPDCKSYFHQHON-UHFFFAOYSA-N 1 0 324.424 3.512 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)c(O)c1 ZINC000742380922 1021108289 /nfs/dbraw/zinc/10/82/89/1021108289.db2.gz SINYFJYTJDDLQU-CYBMUJFWSA-N 1 0 303.402 3.803 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000742371343 1021113261 /nfs/dbraw/zinc/11/32/61/1021113261.db2.gz RLBNJJNSWNYNLD-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000742377105 1021114456 /nfs/dbraw/zinc/11/44/56/1021114456.db2.gz MODURPVWYNWYRO-FUHWJXTLSA-N 1 0 312.457 3.917 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000742377154 1021114573 /nfs/dbraw/zinc/11/45/73/1021114573.db2.gz NETNKQBOUXHXHM-WMZOPIPTSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000176983401 1021192211 /nfs/dbraw/zinc/19/22/11/1021192211.db2.gz GLSQLUMJYUDWPG-VXGBXAGGSA-N 1 0 317.360 3.714 20 10 DHCDRO CC(C)[C@H](CNCc1ccc2c(c1)CCO2)[NH+]1CCCCCC1 ZINC000917395034 1021248791 /nfs/dbraw/zinc/24/87/91/1021248791.db2.gz ZRBMOBUDIKQUTF-IBGZPJMESA-N 1 0 316.489 3.612 20 10 DHCDRO Cc1ccc(CSCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000917392911 1021249718 /nfs/dbraw/zinc/24/97/18/1021249718.db2.gz VINRPZMXBYFDDU-UHFFFAOYSA-N 1 0 313.466 3.953 20 10 DHCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001202457567 1021262683 /nfs/dbraw/zinc/26/26/83/1021262683.db2.gz RJTQRWPCMWLMKE-IRXDYDNUSA-N 1 0 320.452 3.578 20 10 DHCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000743394889 1021280320 /nfs/dbraw/zinc/28/03/20/1021280320.db2.gz DGUJDRHVFXKXRP-KRWDZBQOSA-N 1 0 302.443 3.514 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1O ZINC000181614932 1021281003 /nfs/dbraw/zinc/28/10/03/1021281003.db2.gz JHLIVUMPJGAQAH-KRWDZBQOSA-N 1 0 314.429 3.610 20 10 DHCDRO COc1ccc(C[NH2+]CCCN(C)c2ccccc2F)cc1C ZINC000917520462 1021287039 /nfs/dbraw/zinc/28/70/39/1021287039.db2.gz ICIPIJSXDCCNRB-UHFFFAOYSA-N 1 0 316.420 3.759 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000165234567 1021332417 /nfs/dbraw/zinc/33/24/17/1021332417.db2.gz WAWGIIKHZJJIPN-LJHODMEESA-N 1 0 320.452 3.770 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1 ZINC000850011743 1021394025 /nfs/dbraw/zinc/39/40/25/1021394025.db2.gz TUAZCRUGRDPQPN-UHFFFAOYSA-N 1 0 314.404 3.723 20 10 DHCDRO COc1cccc(C[NH2+]C2CC(c3cccc(F)c3)C2)c1O ZINC000264565315 1032977161 /nfs/dbraw/zinc/97/71/61/1032977161.db2.gz TWAKEHJIRWPIFL-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO CN(Cc1nc2ccccc2s1)Cc1ccc(N(C)C)cc1 ZINC000007248403 1021416760 /nfs/dbraw/zinc/41/67/60/1021416760.db2.gz NELDRFLGEFEMBT-UHFFFAOYSA-N 1 0 311.454 3.994 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCCS2)c(O)c(C(C)(C)C)c1 ZINC000850184681 1021434112 /nfs/dbraw/zinc/43/41/12/1021434112.db2.gz UKCFOCJUTPDZST-AWEZNQCLSA-N 1 0 309.475 3.684 20 10 DHCDRO COCCC(C)(C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850246262 1021453452 /nfs/dbraw/zinc/45/34/52/1021453452.db2.gz KPNNGIPRZMQKCT-UHFFFAOYSA-N 1 0 323.477 3.851 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1 ZINC000926965822 1032981719 /nfs/dbraw/zinc/98/17/19/1032981719.db2.gz XVOHLFQUUBKAKR-JSGCOSHPSA-N 1 0 318.383 3.542 20 10 DHCDRO CC[C@@](C)(C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850315662 1021472922 /nfs/dbraw/zinc/47/29/22/1021472922.db2.gz IKPORVGWMQOTCA-SFHVURJKSA-N 1 0 309.450 3.603 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000850347294 1021480958 /nfs/dbraw/zinc/48/09/58/1021480958.db2.gz PTZFCRUSACOGBP-INIZCTEOSA-N 1 0 321.424 3.545 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)C2)cc1 ZINC000850346383 1021481142 /nfs/dbraw/zinc/48/11/42/1021481142.db2.gz TVOMQEOYPFZTDQ-INIZCTEOSA-N 1 0 321.424 3.545 20 10 DHCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850351721 1021484362 /nfs/dbraw/zinc/48/43/62/1021484362.db2.gz RUPFYQZOCNBFGM-GOSISDBHSA-N 1 0 315.505 3.639 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2ccnc3ccccc23)c(O)c1 ZINC000850356170 1021485810 /nfs/dbraw/zinc/48/58/10/1021485810.db2.gz PLGJTEOHZQTELL-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850377630 1021498467 /nfs/dbraw/zinc/49/84/67/1021498467.db2.gz HKQQAVLGARFSSM-RDJZCZTQSA-N 1 0 317.816 3.708 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1F ZINC000850391094 1021504660 /nfs/dbraw/zinc/50/46/60/1021504660.db2.gz DMOQEGSPCDPHBR-UHFFFAOYSA-N 1 0 312.379 3.949 20 10 DHCDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850394900 1021506921 /nfs/dbraw/zinc/50/69/21/1021506921.db2.gz HSBWWIWVEGKJLZ-QZTJIDSGSA-N 1 0 319.832 3.893 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(SCC)CC2)ccc1OC ZINC000850394611 1021507041 /nfs/dbraw/zinc/50/70/41/1021507041.db2.gz WJEUBXHXEUJAJM-UHFFFAOYSA-N 1 0 309.475 3.607 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000695087642 1021512637 /nfs/dbraw/zinc/51/26/37/1021512637.db2.gz KGFOWIYJLUTVGT-LLVKDONJSA-N 1 0 305.752 3.722 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCC2)c1 ZINC000850405552 1021514233 /nfs/dbraw/zinc/51/42/33/1021514233.db2.gz TUPKFQJWFAOGSZ-UHFFFAOYSA-N 1 0 309.409 3.799 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850408524 1021515058 /nfs/dbraw/zinc/51/50/58/1021515058.db2.gz ANVLPESDFAFUFP-HYVNUMGLSA-N 1 0 303.764 3.613 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850411630 1021517093 /nfs/dbraw/zinc/51/70/93/1021517093.db2.gz GWJNXJWWWNXIQN-PKBHQSAESA-N 1 0 324.468 3.520 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414394 1021520417 /nfs/dbraw/zinc/52/04/17/1021520417.db2.gz ZRGLPYRRBZRZHR-MSOLQXFVSA-N 1 0 319.832 3.893 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000850423508 1021524529 /nfs/dbraw/zinc/52/45/29/1021524529.db2.gz ANFQIYQTGVGGNE-QGZVFWFLSA-N 1 0 302.487 3.662 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850433989 1021531473 /nfs/dbraw/zinc/53/14/73/1021531473.db2.gz SZCBPUJIQLDDQW-SFHVURJKSA-N 1 0 314.473 3.724 20 10 DHCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000850483184 1021559494 /nfs/dbraw/zinc/55/94/94/1021559494.db2.gz URZWPUZPHJRHNR-NVXWUHKLSA-N 1 0 302.462 3.895 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccs3)C2)cc1 ZINC000850486241 1021559691 /nfs/dbraw/zinc/55/96/91/1021559691.db2.gz BDXPIBSMHKANQE-UONOGXRCSA-N 1 0 302.443 3.686 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000850490235 1021560421 /nfs/dbraw/zinc/56/04/21/1021560421.db2.gz XTSZWGALCXVCFG-UZLBHIALSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486774 1021561558 /nfs/dbraw/zinc/56/15/58/1021561558.db2.gz JYRMKXYEHHGCIN-ZBFHGGJFSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(c4ccccc4)C3)C2)cc1 ZINC000850489094 1021561679 /nfs/dbraw/zinc/56/16/79/1021561679.db2.gz QQTCXYFDQFJKNP-XBMUEBEBSA-N 1 0 322.452 3.810 20 10 DHCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1O ZINC000850507865 1021566992 /nfs/dbraw/zinc/56/69/92/1021566992.db2.gz KNJPRPIDROCUJC-MWLCHTKSSA-N 1 0 312.207 3.533 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(OC)c1 ZINC000850514645 1021570406 /nfs/dbraw/zinc/57/04/06/1021570406.db2.gz ONAQCXPKDPIHGX-YVEFUNNKSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccccc1O ZINC000850523103 1021574841 /nfs/dbraw/zinc/57/48/41/1021574841.db2.gz YWPTYANHLILPSM-RYUDHWBXSA-N 1 0 307.340 3.789 20 10 DHCDRO Cn1cc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000850533730 1021587216 /nfs/dbraw/zinc/58/72/16/1021587216.db2.gz BVFOUJRGZOVOFD-QGZVFWFLSA-N 1 0 306.409 3.704 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850533716 1021587510 /nfs/dbraw/zinc/58/75/10/1021587510.db2.gz BMTAUBOCQZQMJS-GOSISDBHSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1O ZINC000850537873 1021594007 /nfs/dbraw/zinc/59/40/07/1021594007.db2.gz ASYDIFTXLGSBTN-ZFWWWQNUSA-N 1 0 306.425 3.589 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850541732 1021596381 /nfs/dbraw/zinc/59/63/81/1021596381.db2.gz ZJPRMBJYJAXOFI-RYQLBKOJSA-N 1 0 313.445 3.578 20 10 DHCDRO CCCc1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000182317025 1021599375 /nfs/dbraw/zinc/59/93/75/1021599375.db2.gz NWCDLJABLLUWOT-LLVKDONJSA-N 1 0 306.431 3.661 20 10 DHCDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554926 1021601951 /nfs/dbraw/zinc/60/19/51/1021601951.db2.gz HWDDJBCBYMBOGR-FZKQIMNGSA-N 1 0 306.425 3.502 20 10 DHCDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850557891 1021603450 /nfs/dbraw/zinc/60/34/50/1021603450.db2.gz ZYFGGIDFGQTVTI-AHRSYUTCSA-N 1 0 311.425 3.727 20 10 DHCDRO CC(C)[C@H](O)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850557894 1021604310 /nfs/dbraw/zinc/60/43/10/1021604310.db2.gz ZYFGGIDFGQTVTI-VDGAXYAQSA-N 1 0 311.425 3.727 20 10 DHCDRO CCCC(CCC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566152 1021609349 /nfs/dbraw/zinc/60/93/49/1021609349.db2.gz KGSGXRULRFIOME-UHFFFAOYSA-N 1 0 304.478 3.706 20 10 DHCDRO CC(C)CC1([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850566967 1021610914 /nfs/dbraw/zinc/61/09/14/1021610914.db2.gz USXUXHPDKNMKKR-HNNXBMFYSA-N 1 0 320.452 3.892 20 10 DHCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567829 1021611286 /nfs/dbraw/zinc/61/12/86/1021611286.db2.gz KGARVDCUAMOCAM-OAHLLOKOSA-N 1 0 304.478 3.562 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C2CCCCC2)c1 ZINC000850569500 1021612373 /nfs/dbraw/zinc/61/23/73/1021612373.db2.gz GOLPGMIGYJKIKO-SCLBCKFNSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(SC)cc2)c1 ZINC000182384152 1021627326 /nfs/dbraw/zinc/62/73/26/1021627326.db2.gz HZMWYIIZZQZYND-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000154848346 1021673526 /nfs/dbraw/zinc/67/35/26/1021673526.db2.gz PQNDSZKRFMFSMW-INIZCTEOSA-N 1 0 319.445 3.564 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)c(O)c1OC ZINC000892956151 1021737931 /nfs/dbraw/zinc/73/79/31/1021737931.db2.gz SPLZZWBVDABCSC-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(C)s2)c(O)c1OC ZINC000893004522 1021783619 /nfs/dbraw/zinc/78/36/19/1021783619.db2.gz JZARHDNBFLTIDQ-LLVKDONJSA-N 1 0 321.442 3.500 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCc1cccc(F)c1 ZINC000109874558 1021799175 /nfs/dbraw/zinc/79/91/75/1021799175.db2.gz XHDCPOGVLRCCCV-UHFFFAOYSA-N 1 0 324.193 3.626 20 10 DHCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OCO2 ZINC000746033623 1021832439 /nfs/dbraw/zinc/83/24/39/1021832439.db2.gz RMCKAVKMWVTATE-UHFFFAOYSA-N 1 0 319.788 3.796 20 10 DHCDRO c1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000155063431 1021855466 /nfs/dbraw/zinc/85/54/66/1021855466.db2.gz GQRIJDGLAUDJNN-HXUWFJFHSA-N 1 0 322.452 3.513 20 10 DHCDRO C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000851717608 1021970941 /nfs/dbraw/zinc/97/09/41/1021970941.db2.gz ZORDJPORECQEDT-KRWDZBQOSA-N 1 0 324.415 3.533 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000919949015 1021973953 /nfs/dbraw/zinc/97/39/53/1021973953.db2.gz MXZJWSIRWHTTRC-GOSISDBHSA-N 1 0 311.381 3.704 20 10 DHCDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000919950560 1021980446 /nfs/dbraw/zinc/98/04/46/1021980446.db2.gz LZTZVNAUIIMVBU-UHFFFAOYSA-N 1 0 317.360 3.671 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000851897467 1022031895 /nfs/dbraw/zinc/03/18/95/1022031895.db2.gz QDWXZMFWRKTNHU-ISARSNTHSA-N 1 0 314.473 3.610 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2Cl)c1 ZINC000851900547 1022035256 /nfs/dbraw/zinc/03/52/56/1022035256.db2.gz VGZQXULRQNCART-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO FC(F)(F)c1ccccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920180029 1022069823 /nfs/dbraw/zinc/06/98/23/1022069823.db2.gz MCZKFBWGRXWZFH-UHFFFAOYSA-N 1 0 321.342 3.973 20 10 DHCDRO CC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920182685 1022073127 /nfs/dbraw/zinc/07/31/27/1022073127.db2.gz XFSRPFKPVHTQMG-UHFFFAOYSA-N 1 0 305.422 3.721 20 10 DHCDRO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000920206562 1022077562 /nfs/dbraw/zinc/07/75/62/1022077562.db2.gz NZPFSMBOOIHANM-UHFFFAOYSA-N 1 0 303.475 3.928 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C1CCOCC1 ZINC000766385761 1022083191 /nfs/dbraw/zinc/08/31/91/1022083191.db2.gz AGTJOMSAPMOPTO-HNAYVOBHSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1ccccc1O ZINC000183325771 1022108523 /nfs/dbraw/zinc/10/85/23/1022108523.db2.gz SKCCUDKLRJWSEO-QGZVFWFLSA-N 1 0 301.386 3.521 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccccc1O ZINC000183428291 1022142961 /nfs/dbraw/zinc/14/29/61/1022142961.db2.gz KPYWZRIXGJFLGM-CQSZACIVSA-N 1 0 312.413 3.959 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)c2ccccc2n1 ZINC000183534323 1022174329 /nfs/dbraw/zinc/17/43/29/1022174329.db2.gz JWMLPHQOZIADMI-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cnccc2C(F)(F)F)cc1C ZINC000853095631 1022220076 /nfs/dbraw/zinc/22/00/76/1022220076.db2.gz QYHPLKOVVOXLKS-UHFFFAOYSA-N 1 0 310.319 3.713 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1O ZINC000853094529 1022221234 /nfs/dbraw/zinc/22/12/34/1022221234.db2.gz FELOSZHIRGISGR-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766574940 1022240820 /nfs/dbraw/zinc/24/08/20/1022240820.db2.gz WHUVDEBDKAQBGE-RKVPGOIHSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241906 1022242416 /nfs/dbraw/zinc/24/24/16/1022242416.db2.gz YSFTWMVCEBYGTK-MAUKXSAKSA-N 1 0 320.452 3.694 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000853634050 1022300158 /nfs/dbraw/zinc/30/01/58/1022300158.db2.gz ISYJSQYJEKYKAW-ZFWWWQNUSA-N 1 0 305.418 3.564 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852138 1022337717 /nfs/dbraw/zinc/33/77/17/1022337717.db2.gz JIPIOCXGEAONSD-YWZLYKJASA-N 1 0 321.424 3.874 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)n1 ZINC000363857455 1022341428 /nfs/dbraw/zinc/34/14/28/1022341428.db2.gz PTUHWGQJVMZMKH-LRVUVFPRSA-N 1 0 315.417 3.769 20 10 DHCDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ccccc1O ZINC000183444255 1022346056 /nfs/dbraw/zinc/34/60/56/1022346056.db2.gz PUGIAUFMCRSUNA-VXGBXAGGSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000183414792 1022347517 /nfs/dbraw/zinc/34/75/17/1022347517.db2.gz YBPMOLZCQPTEET-MRXNPFEDSA-N 1 0 311.425 3.791 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c(O)c1 ZINC000363866342 1022353692 /nfs/dbraw/zinc/35/36/92/1022353692.db2.gz IAAXTJWHRARZDF-HNNXBMFYSA-N 1 0 319.445 3.572 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2c1c(F)ccc2O ZINC000756441067 1022376799 /nfs/dbraw/zinc/37/67/99/1022376799.db2.gz HIHVGRLLPOUOKG-IONNQARKSA-N 1 0 309.328 3.922 20 10 DHCDRO C[C@@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001169461105 1022421214 /nfs/dbraw/zinc/42/12/14/1022421214.db2.gz CTMNAFQSXCXVPD-MRXNPFEDSA-N 1 0 312.533 3.558 20 10 DHCDRO C[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001169461104 1022421611 /nfs/dbraw/zinc/42/16/11/1022421611.db2.gz CTMNAFQSXCXVPD-INIZCTEOSA-N 1 0 312.533 3.558 20 10 DHCDRO O=C(C[C@H]1CCC[N@H+]1Cc1ccccc1O)c1ccc(F)cc1 ZINC000179586911 1022474730 /nfs/dbraw/zinc/47/47/30/1022474730.db2.gz CGPXUMMEOZWVED-QGZVFWFLSA-N 1 0 313.372 3.769 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cnn2ccccc12)C1CCCC1 ZINC000179589125 1022475365 /nfs/dbraw/zinc/47/53/65/1022475365.db2.gz FLQRPXLZSIQDCF-UHFFFAOYSA-N 1 0 321.424 3.985 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1O ZINC000272842040 1022516451 /nfs/dbraw/zinc/51/64/51/1022516451.db2.gz JVEKPVSEPHHLOL-ZWOKBUDYSA-N 1 0 324.468 3.953 20 10 DHCDRO CCCC[N@H+](Cc1csnc1OC)Cc1ccccc1O ZINC001169754534 1022530861 /nfs/dbraw/zinc/53/08/61/1022530861.db2.gz NONXMRAGYCJKDJ-UHFFFAOYSA-N 1 0 306.431 3.660 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c(O)c1 ZINC000186001016 1022541655 /nfs/dbraw/zinc/54/16/55/1022541655.db2.gz NEFJIRXASFHOLH-LBPRGKRZSA-N 1 0 307.340 3.708 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000273616637 1022544714 /nfs/dbraw/zinc/54/47/14/1022544714.db2.gz XNBAYMQTKWUSRB-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1F ZINC000179833792 1022553199 /nfs/dbraw/zinc/55/31/99/1022553199.db2.gz XMEFLXFZCSBPON-UHFFFAOYSA-N 1 0 321.484 3.634 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1C ZINC000237860872 1022574876 /nfs/dbraw/zinc/57/48/76/1022574876.db2.gz BLNJPEHUXFHNSU-UHFFFAOYSA-N 1 0 312.388 3.962 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000179907024 1022577704 /nfs/dbraw/zinc/57/77/04/1022577704.db2.gz VIPXKJZPIQLTBW-OAQYLSRUSA-N 1 0 322.452 3.643 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CCCOc2cccc3cccnc32)c1 ZINC000113342993 1022635247 /nfs/dbraw/zinc/63/52/47/1022635247.db2.gz YNTNRBOKTYXMRB-UHFFFAOYSA-N 1 0 322.408 3.808 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1F ZINC000113340304 1022635847 /nfs/dbraw/zinc/63/58/47/1022635847.db2.gz AKWJTDWDAAAAPO-UHFFFAOYSA-N 1 0 316.420 3.976 20 10 DHCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(C)ccc2O)N2CCCC2)o1 ZINC000113332392 1022636061 /nfs/dbraw/zinc/63/60/61/1022636061.db2.gz BAUISOZUAYWDFK-KRWDZBQOSA-N 1 0 314.429 3.529 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000130829415 1022647553 /nfs/dbraw/zinc/64/75/53/1022647553.db2.gz HSBDUXIIFFTLPI-APPDUMDISA-N 1 0 323.795 3.787 20 10 DHCDRO Cc1cccc(NC2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000180190370 1022656996 /nfs/dbraw/zinc/65/69/96/1022656996.db2.gz RXAXPVUEHYADLV-UHFFFAOYSA-N 1 0 314.404 3.916 20 10 DHCDRO OC1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)CC1 ZINC000238154744 1022708021 /nfs/dbraw/zinc/70/80/21/1022708021.db2.gz KJSMCGJYZJSHDL-UHFFFAOYSA-N 1 0 320.452 3.599 20 10 DHCDRO Oc1ccccc1C[N@H+](CCC[C@@H]1CCO1)Cc1ccco1 ZINC000876511081 1033079497 /nfs/dbraw/zinc/07/94/97/1033079497.db2.gz VUZGNPRYKKKFSC-MRXNPFEDSA-N 1 0 301.386 3.557 20 10 DHCDRO Cc1cccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1O ZINC000180703750 1022786091 /nfs/dbraw/zinc/78/60/91/1022786091.db2.gz QEIYBABJGBXWMJ-LJQANCHMSA-N 1 0 311.425 3.534 20 10 DHCDRO CCC[N@H+](Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC000068973546 1022822212 /nfs/dbraw/zinc/82/22/12/1022822212.db2.gz SVWVOZREJWVHIG-UHFFFAOYSA-N 1 0 309.413 3.691 20 10 DHCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nn1C ZINC000767892724 1022831920 /nfs/dbraw/zinc/83/19/20/1022831920.db2.gz LKOGLCWCDATCOM-UHFFFAOYSA-N 1 0 313.445 3.769 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cncs2)c(C)n1-c1ccccc1 ZINC000767915566 1022834270 /nfs/dbraw/zinc/83/42/70/1022834270.db2.gz FOEKKDSCRYGEMG-UHFFFAOYSA-N 1 0 311.454 3.883 20 10 DHCDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768138900 1022904369 /nfs/dbraw/zinc/90/43/69/1022904369.db2.gz WHACEYIZKAICGN-OAHLLOKOSA-N 1 0 320.452 3.671 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000768140052 1022904956 /nfs/dbraw/zinc/90/49/56/1022904956.db2.gz ABUNVSUZUQPEIX-NRFANRHFSA-N 1 0 324.468 3.670 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162060 1022907327 /nfs/dbraw/zinc/90/73/27/1022907327.db2.gz KGVAPDDWDAUUQL-FUHWJXTLSA-N 1 0 301.430 3.730 20 10 DHCDRO COc1ccc(OCC[N@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000768196496 1022924565 /nfs/dbraw/zinc/92/45/65/1022924565.db2.gz GBMMPYAEHFWZJJ-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CC(C)[N@H+](CCCO)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883316 1033092578 /nfs/dbraw/zinc/09/25/78/1033092578.db2.gz FEKPGXXVFYTIPK-UHFFFAOYSA-N 1 0 313.869 3.936 20 10 DHCDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000768252976 1022933867 /nfs/dbraw/zinc/93/38/67/1022933867.db2.gz SXIJZCWVAGOZCC-LLVKDONJSA-N 1 0 319.788 3.967 20 10 DHCDRO COc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000857057967 1022936329 /nfs/dbraw/zinc/93/63/29/1022936329.db2.gz KTZOPUJPHYFWAZ-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(O)c1 ZINC000876558061 1033093277 /nfs/dbraw/zinc/09/32/77/1033093277.db2.gz HWVNLAOMCKOQDE-UHFFFAOYSA-N 1 0 319.408 3.866 20 10 DHCDRO CC(C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768244358 1022937986 /nfs/dbraw/zinc/93/79/86/1022937986.db2.gz IXGPEVFQCKHIAJ-UHFFFAOYSA-N 1 0 305.422 3.673 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1CO ZINC000857061284 1022940303 /nfs/dbraw/zinc/94/03/03/1022940303.db2.gz NNNZKCDVUUCCDL-HNAYVOBHSA-N 1 0 311.425 3.510 20 10 DHCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768337283 1022948347 /nfs/dbraw/zinc/94/83/47/1022948347.db2.gz CVWTZJOLYRZIRV-AWEZNQCLSA-N 1 0 305.422 3.815 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000768351762 1022950878 /nfs/dbraw/zinc/95/08/78/1022950878.db2.gz KABWZIBGUBQMJL-UHFFFAOYSA-N 1 0 313.445 3.572 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC000768363999 1022952191 /nfs/dbraw/zinc/95/21/91/1022952191.db2.gz DRXLCKVBZBHTAB-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000768408832 1022959183 /nfs/dbraw/zinc/95/91/83/1022959183.db2.gz FWEQHRGYLKSSMC-HNNXBMFYSA-N 1 0 305.462 3.554 20 10 DHCDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768419964 1022968096 /nfs/dbraw/zinc/96/80/96/1022968096.db2.gz BAZIRFHBJIPFTQ-AWEZNQCLSA-N 1 0 317.433 3.815 20 10 DHCDRO COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)c(O)cc1C ZINC000768441460 1022969060 /nfs/dbraw/zinc/96/90/60/1022969060.db2.gz IZSUPZPFLJBGCS-LBPRGKRZSA-N 1 0 303.427 3.890 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000768464199 1022973763 /nfs/dbraw/zinc/97/37/63/1022973763.db2.gz OEIDBSPSRZAOLT-HNNXBMFYSA-N 1 0 315.388 3.838 20 10 DHCDRO CCC[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768465813 1022974506 /nfs/dbraw/zinc/97/45/06/1022974506.db2.gz LYQOOIZIBOESKB-GOSISDBHSA-N 1 0 307.434 3.812 20 10 DHCDRO COc1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(O)cc1C ZINC000768466483 1022975968 /nfs/dbraw/zinc/97/59/68/1022975968.db2.gz QSWHQAPKCDEEPQ-QGZVFWFLSA-N 1 0 319.445 3.633 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCOC1)C1CCCCC1 ZINC000768532230 1022982944 /nfs/dbraw/zinc/98/29/44/1022982944.db2.gz IHRYNDXRCKCUOI-MRXNPFEDSA-N 1 0 303.446 3.954 20 10 DHCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000768541782 1022985350 /nfs/dbraw/zinc/98/53/50/1022985350.db2.gz AEPMPDDUZFYSMI-CQSZACIVSA-N 1 0 308.441 3.529 20 10 DHCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1 ZINC000768595325 1022998307 /nfs/dbraw/zinc/99/83/07/1022998307.db2.gz HRGDPYXINITEGD-QGZVFWFLSA-N 1 0 312.457 3.962 20 10 DHCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000768901945 1023052145 /nfs/dbraw/zinc/05/21/45/1023052145.db2.gz PXTMJSYURUHFJE-FQEVSTJZSA-N 1 0 315.505 3.593 20 10 DHCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000876598711 1033101582 /nfs/dbraw/zinc/10/15/82/1033101582.db2.gz PFJDSSYPHIJSNX-OAHLLOKOSA-N 1 0 304.478 3.514 20 10 DHCDRO CC[C@H]([NH2+]CCCSC)c1cc(Br)ccc1O ZINC000069432705 1023059117 /nfs/dbraw/zinc/05/91/17/1023059117.db2.gz PALHIEGDDALIRB-LBPRGKRZSA-N 1 0 318.280 3.949 20 10 DHCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000769021354 1023070665 /nfs/dbraw/zinc/07/06/65/1023070665.db2.gz HFYHCXOHLJUVGO-GOSISDBHSA-N 1 0 317.816 3.791 20 10 DHCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000768997846 1023075024 /nfs/dbraw/zinc/07/50/24/1023075024.db2.gz IJLQSKSNOBJFFU-KRWDZBQOSA-N 1 0 300.446 3.564 20 10 DHCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000768997848 1023075630 /nfs/dbraw/zinc/07/56/30/1023075630.db2.gz IJLQSKSNOBJFFU-QGZVFWFLSA-N 1 0 300.446 3.564 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1F ZINC000769228992 1023103486 /nfs/dbraw/zinc/10/34/86/1023103486.db2.gz HOHPQSAMKZBBJA-KRWDZBQOSA-N 1 0 313.420 3.578 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1O ZINC000184778377 1023115967 /nfs/dbraw/zinc/11/59/67/1023115967.db2.gz DKLZMDJZXRQPCQ-UHFFFAOYSA-N 1 0 307.397 3.675 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCN(C2CC2)C1 ZINC000769327027 1023123406 /nfs/dbraw/zinc/12/34/06/1023123406.db2.gz SXJAKZUEUAXTRR-HXUWFJFHSA-N 1 0 322.452 3.728 20 10 DHCDRO COc1cccc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1O ZINC000769388183 1023138338 /nfs/dbraw/zinc/13/83/38/1023138338.db2.gz DLDRSHQVDJIDDS-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769405390 1023143227 /nfs/dbraw/zinc/14/32/27/1023143227.db2.gz UXWZFDKRMFYNNR-YVWKXTFCSA-N 1 0 314.473 3.676 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000769489356 1023153902 /nfs/dbraw/zinc/15/39/02/1023153902.db2.gz YFLMVQYHMBPJFE-UHFFFAOYSA-N 1 0 314.473 3.679 20 10 DHCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000769497392 1023166726 /nfs/dbraw/zinc/16/67/26/1023166726.db2.gz CRYFZDVAPLKEIU-QGZVFWFLSA-N 1 0 319.832 3.819 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000769502835 1023168156 /nfs/dbraw/zinc/16/81/56/1023168156.db2.gz AUFCURFBCKFBMT-INIZCTEOSA-N 1 0 303.789 3.619 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000769507866 1023170730 /nfs/dbraw/zinc/17/07/30/1023170730.db2.gz PMGGGMKMGBTZSA-KRWDZBQOSA-N 1 0 301.361 3.877 20 10 DHCDRO CCOc1ccc(C[N@H+](CCc2nccs2)C(C)C)c(O)c1 ZINC000769517110 1023171363 /nfs/dbraw/zinc/17/13/63/1023171363.db2.gz PBLIIRXGGNECED-UHFFFAOYSA-N 1 0 320.458 3.701 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000769519230 1023171911 /nfs/dbraw/zinc/17/19/11/1023171911.db2.gz LWPCOUUYEVVULC-IBGZPJMESA-N 1 0 316.489 3.781 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000769513011 1023172329 /nfs/dbraw/zinc/17/23/29/1023172329.db2.gz WRUAMPCBCDAHEN-UHFFFAOYSA-N 1 0 322.452 3.774 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000769532168 1023173265 /nfs/dbraw/zinc/17/32/65/1023173265.db2.gz HSEVBNJHSYIAEH-GOSISDBHSA-N 1 0 304.478 3.781 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(O)c1 ZINC000769537190 1023176249 /nfs/dbraw/zinc/17/62/49/1023176249.db2.gz IOKVIPNBQJFAMO-GOSISDBHSA-N 1 0 314.429 3.857 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000769710670 1023199135 /nfs/dbraw/zinc/19/91/35/1023199135.db2.gz ONSQBFRIYRGTFK-FUHWJXTLSA-N 1 0 304.478 3.970 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986273 1023255721 /nfs/dbraw/zinc/25/57/21/1023255721.db2.gz HRLNLHSZNDWPLM-SJCJKPOMSA-N 1 0 317.454 3.717 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986272 1023256258 /nfs/dbraw/zinc/25/62/58/1023256258.db2.gz HRLNLHSZNDWPLM-PXAZEXFGSA-N 1 0 317.454 3.717 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000770293500 1023294638 /nfs/dbraw/zinc/29/46/38/1023294638.db2.gz PFFJIZAJANLCMR-PKOBYXMFSA-N 1 0 302.462 3.534 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000770509287 1023317001 /nfs/dbraw/zinc/31/70/01/1023317001.db2.gz KPTCAVHIPURBIC-UHFFFAOYSA-N 1 0 322.452 3.667 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000771384966 1023431181 /nfs/dbraw/zinc/43/11/81/1023431181.db2.gz RJCABOIAQAVGLZ-HNNXBMFYSA-N 1 0 309.457 3.932 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000771935156 1023489901 /nfs/dbraw/zinc/48/99/01/1023489901.db2.gz LKSVUMPSZLFFLT-UHFFFAOYSA-N 1 0 321.424 3.638 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000876770211 1033140793 /nfs/dbraw/zinc/14/07/93/1033140793.db2.gz KAUUVSCGLDJAHR-SFHVURJKSA-N 1 0 311.425 3.739 20 10 DHCDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C[C@@H]1C ZINC001172367579 1033146933 /nfs/dbraw/zinc/14/69/33/1033146933.db2.gz GRQVRGBHXYSNJV-GJYPPUQNSA-N 1 0 316.489 3.771 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000785989142 1023649539 /nfs/dbraw/zinc/64/95/39/1023649539.db2.gz SLBPSCLALBXXLL-LPHOPBHVSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000786574891 1023711028 /nfs/dbraw/zinc/71/10/28/1023711028.db2.gz HRGSYLAWGMAWJD-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cnn1C(C)(C)C ZINC000786902638 1023735652 /nfs/dbraw/zinc/73/56/52/1023735652.db2.gz GLPPJULHVJEHRI-CYBMUJFWSA-N 1 0 313.445 3.732 20 10 DHCDRO CCOC(CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O)OCC ZINC000786969019 1023742056 /nfs/dbraw/zinc/74/20/56/1023742056.db2.gz BFNZIQVYYMMAHK-AWEZNQCLSA-N 1 0 315.841 3.876 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3cnccc3c2)cc1 ZINC000787038482 1023751681 /nfs/dbraw/zinc/75/16/81/1023751681.db2.gz GZSMAPQUYAYVMU-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO Cc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)cc1C(C)C ZINC000104752509 1023786217 /nfs/dbraw/zinc/78/62/17/1023786217.db2.gz OPRGIPBQOUTQTF-UHFFFAOYSA-N 1 0 304.478 3.598 20 10 DHCDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCC1 ZINC000756788045 1023843481 /nfs/dbraw/zinc/84/34/81/1023843481.db2.gz AUNKQXQOBYXATQ-OLZOCXBDSA-N 1 0 311.853 3.885 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796703406 1023855748 /nfs/dbraw/zinc/85/57/48/1023855748.db2.gz UMAALJQJOMPTIG-FUHWJXTLSA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)c1ccc(F)cc1[O-] ZINC000796801178 1023857345 /nfs/dbraw/zinc/85/73/45/1023857345.db2.gz YNHBNAJVHBRUNZ-CQSZACIVSA-N 1 0 308.422 3.888 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000788259694 1023865581 /nfs/dbraw/zinc/86/55/81/1023865581.db2.gz OQKJXCOKLSJBIQ-DOMZBBRYSA-N 1 0 321.852 3.870 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000788259696 1023866425 /nfs/dbraw/zinc/86/64/25/1023866425.db2.gz OQKJXCOKLSJBIQ-IUODEOHRSA-N 1 0 321.852 3.870 20 10 DHCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000788262108 1023866883 /nfs/dbraw/zinc/86/68/83/1023866883.db2.gz MRAXXKNTMRWAEE-AWEZNQCLSA-N 1 0 305.462 3.863 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000788270102 1023869995 /nfs/dbraw/zinc/86/99/95/1023869995.db2.gz PFMSVQZPDWMIPU-UTKZUKDTSA-N 1 0 324.468 3.668 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c(O)c1 ZINC000788501606 1023896055 /nfs/dbraw/zinc/89/60/55/1023896055.db2.gz FVGMKVKBBJYVBB-SJLPKXTDSA-N 1 0 312.457 3.963 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC000788536832 1023901457 /nfs/dbraw/zinc/90/14/57/1023901457.db2.gz HRLZPUHYBPLLKK-UXHICEINSA-N 1 0 313.441 3.857 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000788535720 1023907591 /nfs/dbraw/zinc/90/75/91/1023907591.db2.gz CWODEOAMYKQVIX-WOJBJXKFSA-N 1 0 312.457 3.600 20 10 DHCDRO CC1=CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000788566052 1023908347 /nfs/dbraw/zinc/90/83/47/1023908347.db2.gz YEHAVNGNHATFON-AEFFLSMTSA-N 1 0 300.446 3.673 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000788688716 1023919875 /nfs/dbraw/zinc/91/98/75/1023919875.db2.gz GPNRJNXDXHHBHX-CVEARBPZSA-N 1 0 319.445 3.735 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@H](OCC)c2ccccc2)c1O ZINC000194462763 1024004433 /nfs/dbraw/zinc/00/44/33/1024004433.db2.gz MVYLKICSVNJBCZ-SFHVURJKSA-N 1 0 315.413 3.658 20 10 DHCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000194549218 1024005834 /nfs/dbraw/zinc/00/58/34/1024005834.db2.gz QWLOXCVMXKUUKC-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)c(O)c1 ZINC000876929301 1033183912 /nfs/dbraw/zinc/18/39/12/1033183912.db2.gz CIILNPNGJWJOOX-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000707129726 1024053526 /nfs/dbraw/zinc/05/35/26/1024053526.db2.gz RIYPILTVMMDWQI-BXUZGUMPSA-N 1 0 310.235 3.919 20 10 DHCDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876931382 1033185877 /nfs/dbraw/zinc/18/58/77/1033185877.db2.gz NETDLENTWIIWCP-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1F ZINC000129957412 1024109872 /nfs/dbraw/zinc/10/98/72/1024109872.db2.gz LMHQBPQMTREDNZ-MRXNPFEDSA-N 1 0 320.452 3.673 20 10 DHCDRO COc1c2ccccc2oc1C[NH2+]Cc1cc(F)ccc1O ZINC000789585250 1024119922 /nfs/dbraw/zinc/11/99/22/1024119922.db2.gz ZEAPZMZTTCSUFT-UHFFFAOYSA-N 1 0 301.317 3.576 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000789590006 1024122150 /nfs/dbraw/zinc/12/21/50/1024122150.db2.gz OWAZNHCJOXNBAZ-OAHLLOKOSA-N 1 0 314.404 3.550 20 10 DHCDRO COc1cccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1O ZINC000130150531 1024133369 /nfs/dbraw/zinc/13/33/69/1024133369.db2.gz VKLRBSZBENWQDF-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CC(C)OC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000130309069 1024149702 /nfs/dbraw/zinc/14/97/02/1024149702.db2.gz NYWWDRMRELEIBE-UHFFFAOYSA-N 1 0 308.441 3.718 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000130425793 1024162687 /nfs/dbraw/zinc/16/26/87/1024162687.db2.gz RZMBLBDFBJVUPC-YJBOKZPZSA-N 1 0 321.420 3.800 20 10 DHCDRO Cc1cccc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1O ZINC000789778936 1024165925 /nfs/dbraw/zinc/16/59/25/1024165925.db2.gz VVPJWPPQJQZJAG-QGZVFWFLSA-N 1 0 312.413 3.698 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268853532 1024179549 /nfs/dbraw/zinc/17/95/49/1024179549.db2.gz QFGVVBJBZAOWOX-GOSISDBHSA-N 1 0 319.408 3.950 20 10 DHCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000268875949 1024184291 /nfs/dbraw/zinc/18/42/91/1024184291.db2.gz DUJLGOLAOKOOKE-INIZCTEOSA-N 1 0 312.461 3.744 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000130692431 1024204043 /nfs/dbraw/zinc/20/40/43/1024204043.db2.gz OHGXBOZEBFNUPW-UXHICEINSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269052608 1024228062 /nfs/dbraw/zinc/22/80/62/1024228062.db2.gz ZVRVRIGULKUUFI-GJZGRUSLSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC000883092016 1024238542 /nfs/dbraw/zinc/23/85/42/1024238542.db2.gz CVVCFZDCQVCCEK-LBPRGKRZSA-N 1 0 303.837 3.839 20 10 DHCDRO Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995946 1033201537 /nfs/dbraw/zinc/20/15/37/1033201537.db2.gz KQIAETBVLPMOOU-UHFFFAOYSA-N 1 0 323.223 3.800 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c(O)c1C ZINC000790495876 1024314161 /nfs/dbraw/zinc/31/41/61/1024314161.db2.gz CZZAFGKARTYHJX-DOTOQJQBSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276041 1024347782 /nfs/dbraw/zinc/34/77/82/1024347782.db2.gz FHXCZLDOIAMAPI-CZUORRHYSA-N 1 0 323.820 3.531 20 10 DHCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000883321026 1024375997 /nfs/dbraw/zinc/37/59/97/1024375997.db2.gz FRPSWWDMHUWYIF-YQQAZPJKSA-N 1 0 320.452 3.892 20 10 DHCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000883321091 1024376680 /nfs/dbraw/zinc/37/66/80/1024376680.db2.gz KQMQFJNDNZAZMU-NUJGCVRESA-N 1 0 302.462 3.753 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(O)ccc2Cl)c1O ZINC000883327166 1024378969 /nfs/dbraw/zinc/37/89/69/1024378969.db2.gz SGISBSKPMTUMEW-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790947213 1024402863 /nfs/dbraw/zinc/40/28/63/1024402863.db2.gz MCJRJQNUWSIEHP-GFCCVEGCSA-N 1 0 314.832 3.539 20 10 DHCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989242 1024412051 /nfs/dbraw/zinc/41/20/51/1024412051.db2.gz AJUNFIXJMRVGNQ-DZGCQCFKSA-N 1 0 315.816 3.868 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000270666056 1024414494 /nfs/dbraw/zinc/41/44/94/1024414494.db2.gz VAKDNKQPVMBIOZ-CPUCHLNUSA-N 1 0 318.486 3.977 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883382677 1024415693 /nfs/dbraw/zinc/41/56/93/1024415693.db2.gz LCKIGINVCJEVCQ-LBPRGKRZSA-N 1 0 309.837 3.964 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883383297 1024418223 /nfs/dbraw/zinc/41/82/23/1024418223.db2.gz WMVZAGVPXNBWSC-FUHWJXTLSA-N 1 0 315.388 3.906 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000790972042 1024420223 /nfs/dbraw/zinc/42/02/23/1024420223.db2.gz FCERATQPZHJNFP-KBPBESRZSA-N 1 0 313.800 3.622 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c(O)c1 ZINC000883387770 1024422857 /nfs/dbraw/zinc/42/28/57/1024422857.db2.gz DYKWKYFSGUJFIA-APWZRJJASA-N 1 0 321.424 3.989 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1cc2ccccc2[nH]c1=O ZINC001137188873 1024428856 /nfs/dbraw/zinc/42/88/56/1024428856.db2.gz VXXGDWPCDHVXHH-UHFFFAOYSA-N 1 0 308.381 3.668 20 10 DHCDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271255091 1024477925 /nfs/dbraw/zinc/47/79/25/1024477925.db2.gz JKYFJPBRSGPZLY-MLGOLLRUSA-N 1 0 321.804 3.727 20 10 DHCDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000271339548 1024490889 /nfs/dbraw/zinc/49/08/89/1024490889.db2.gz GMBABBKRRNGSRF-HZPDHXFCSA-N 1 0 311.425 3.964 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436501 1024505168 /nfs/dbraw/zinc/50/51/68/1024505168.db2.gz DURNDSGGROLMPJ-UONOGXRCSA-N 1 0 316.424 3.951 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000271486371 1024520052 /nfs/dbraw/zinc/52/00/52/1024520052.db2.gz KIDHRUFUKJWVQU-JKSUJKDBSA-N 1 0 322.468 3.875 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000271667912 1024559167 /nfs/dbraw/zinc/55/91/67/1024559167.db2.gz HKOBJGCTNSQRAZ-LLVKDONJSA-N 1 0 317.360 3.593 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000228674680 1024603266 /nfs/dbraw/zinc/60/32/66/1024603266.db2.gz NPEHPPGTTWWNFH-QMMMGPOBSA-N 1 0 310.781 3.510 20 10 DHCDRO CCc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228675326 1024604943 /nfs/dbraw/zinc/60/49/43/1024604943.db2.gz UWHBEIVFNLHCQW-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO CC(C)CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877058177 1033223262 /nfs/dbraw/zinc/22/32/62/1033223262.db2.gz FKJKPIIROPNHMQ-UHFFFAOYSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877068361 1033227149 /nfs/dbraw/zinc/22/71/49/1033227149.db2.gz POFWPFGZUMYTHW-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170250983 1024724271 /nfs/dbraw/zinc/72/42/71/1024724271.db2.gz XERPINLVRLXATQ-LBPRGKRZSA-N 1 0 305.805 3.515 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000800218563 1024743118 /nfs/dbraw/zinc/74/31/18/1024743118.db2.gz WMYITVDPHAOZJO-MJGOQNOKSA-N 1 0 309.457 3.964 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000800218561 1024743381 /nfs/dbraw/zinc/74/33/81/1024743381.db2.gz WMYITVDPHAOZJO-HKUYNNGSSA-N 1 0 309.457 3.964 20 10 DHCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1O ZINC001170417676 1024767792 /nfs/dbraw/zinc/76/77/92/1024767792.db2.gz MHYIZZSQZBGQFG-DZGCQCFKSA-N 1 0 313.397 3.793 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1C ZINC000897415280 1024784884 /nfs/dbraw/zinc/78/48/84/1024784884.db2.gz XADAIGDBYJZTSK-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1O ZINC000897419336 1024793051 /nfs/dbraw/zinc/79/30/51/1024793051.db2.gz GFRVSZHFTGERGN-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1OC ZINC000113321342 1024798150 /nfs/dbraw/zinc/79/81/50/1024798150.db2.gz FEBDVPXZFKAJPS-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CC(C)CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877086979 1033235960 /nfs/dbraw/zinc/23/59/60/1033235960.db2.gz DCJMOVYEEGBJAV-UHFFFAOYSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccc[nH]1 ZINC000793032329 1024866126 /nfs/dbraw/zinc/86/61/26/1024866126.db2.gz ZTCJEBJADHQDTD-LLVKDONJSA-N 1 0 311.351 3.950 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000877116529 1033244862 /nfs/dbraw/zinc/24/48/62/1033244862.db2.gz PMBFSRISKQJIPK-GOSISDBHSA-N 1 0 313.441 3.593 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCSCC2)c(C(F)(F)F)c1 ZINC000793061588 1024890255 /nfs/dbraw/zinc/89/02/55/1024890255.db2.gz KPKLKOMLBLNAOV-UHFFFAOYSA-N 1 0 318.408 3.710 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230496 1024943296 /nfs/dbraw/zinc/94/32/96/1024943296.db2.gz FWRFTDCKBHHVJN-MFKMUULPSA-N 1 0 303.324 3.564 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793255791 1024966908 /nfs/dbraw/zinc/96/69/08/1024966908.db2.gz BOEXPWIFBBQKMC-QGZVFWFLSA-N 1 0 309.409 3.528 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793353283 1024998824 /nfs/dbraw/zinc/99/88/24/1024998824.db2.gz QYVJAVHJKUKSCO-ZBFHGGJFSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3nc(C)sc3c2)c(O)c1 ZINC000793387307 1025027206 /nfs/dbraw/zinc/02/72/06/1025027206.db2.gz CKZFVGAEQGQHSQ-UHFFFAOYSA-N 1 0 314.410 3.609 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2F)c(O)c1 ZINC000793385988 1025030092 /nfs/dbraw/zinc/03/00/92/1025030092.db2.gz FMYLHRHGROQDHC-ZDUSSCGKSA-N 1 0 303.377 3.651 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(Cl)c2)cc1OC ZINC000159486918 1025061722 /nfs/dbraw/zinc/06/17/22/1025061722.db2.gz UKJJXZFWMFDHLW-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000793523078 1025072265 /nfs/dbraw/zinc/07/22/65/1025072265.db2.gz CNKZLRZCBGRCOA-VHKYSDTDSA-N 1 0 323.436 3.912 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1(C)C ZINC000740863623 1025087294 /nfs/dbraw/zinc/08/72/94/1025087294.db2.gz VMNBLDQLJOGMBZ-ROUUACIJSA-N 1 0 303.446 3.516 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793567241 1025104492 /nfs/dbraw/zinc/10/44/92/1025104492.db2.gz IEBNHVMQXXJZIY-IBGZPJMESA-N 1 0 322.456 3.912 20 10 DHCDRO CCCN(Cc1cn2cc(C)ccc2n1)c1ccc(C[NH3+])cc1 ZINC000793589454 1025115756 /nfs/dbraw/zinc/11/57/56/1025115756.db2.gz KKAIQZYNHKUKSH-UHFFFAOYSA-N 1 0 308.429 3.518 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1CCSCC1 ZINC000134611231 1025126911 /nfs/dbraw/zinc/12/69/11/1025126911.db2.gz NMCYTRHXMVRMPY-UHFFFAOYSA-N 1 0 304.503 3.910 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000793607546 1025127268 /nfs/dbraw/zinc/12/72/68/1025127268.db2.gz AMQVVONXLNLKAW-VQTJNVASSA-N 1 0 314.473 3.820 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000793620893 1025136040 /nfs/dbraw/zinc/13/60/40/1025136040.db2.gz SQFLVBJMNOLHLK-UHFFFAOYSA-N 1 0 317.351 3.955 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000877167910 1033264447 /nfs/dbraw/zinc/26/44/47/1033264447.db2.gz MPUGOKFBNKYZMJ-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO CCC(C)(C)[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828307012 1025234677 /nfs/dbraw/zinc/23/46/77/1025234677.db2.gz USGFQVBFUTUWIH-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000794257225 1025242553 /nfs/dbraw/zinc/24/25/53/1025242553.db2.gz LISAHESSNIWGAI-QGZVFWFLSA-N 1 0 324.472 3.968 20 10 DHCDRO CCc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000794275776 1025245713 /nfs/dbraw/zinc/24/57/13/1025245713.db2.gz QYFSKCLQYANIRJ-UHFFFAOYSA-N 1 0 313.445 3.776 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000108093443 1025324104 /nfs/dbraw/zinc/32/41/04/1025324104.db2.gz NROWGZLFJRYPKR-UHFFFAOYSA-N 1 0 310.441 3.716 20 10 DHCDRO Oc1ccccc1C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000238098662 1025487282 /nfs/dbraw/zinc/48/72/82/1025487282.db2.gz LDHNSPAJVIKJSG-HXUWFJFHSA-N 1 0 311.425 3.966 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000279942409 1025509550 /nfs/dbraw/zinc/50/95/50/1025509550.db2.gz NTNFTTHZGGZUOX-UHFFFAOYSA-N 1 0 300.450 3.600 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(C)cc1O ZINC000279933181 1025511082 /nfs/dbraw/zinc/51/10/82/1025511082.db2.gz AWHMHYXNNHQRIP-SJLPKXTDSA-N 1 0 303.377 3.614 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000877352826 1033288513 /nfs/dbraw/zinc/28/85/13/1033288513.db2.gz FBCMJLJTUGPPDT-UHFFFAOYSA-N 1 0 311.425 3.621 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2O)c1OC ZINC000886186122 1025552198 /nfs/dbraw/zinc/55/21/98/1025552198.db2.gz QKZSUHDDCWLZOW-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cc1 ZINC000886345050 1025597012 /nfs/dbraw/zinc/59/70/12/1025597012.db2.gz QUXQYDQMSXVEHQ-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3CCC=CCC3)CC2)cc1 ZINC000886376766 1025611489 /nfs/dbraw/zinc/61/14/89/1025611489.db2.gz YAMFCPVCWNZHKX-UHFFFAOYSA-N 1 0 300.446 3.752 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1c([O-])cccc1F ZINC000886490061 1025650569 /nfs/dbraw/zinc/65/05/69/1025650569.db2.gz YMDFTIMDBZAAAP-DGCLKSJQSA-N 1 0 308.422 3.546 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000894045651 1025671469 /nfs/dbraw/zinc/67/14/69/1025671469.db2.gz ICEVOCHLPLYOJL-ZHALLVOQSA-N 1 0 302.462 3.567 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)c2ccccc21 ZINC000359999632 1025734835 /nfs/dbraw/zinc/73/48/35/1025734835.db2.gz OTGWUXARXLYHTQ-SUMWQHHRSA-N 1 0 310.397 3.541 20 10 DHCDRO CCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000806128301 1025791029 /nfs/dbraw/zinc/79/10/29/1025791029.db2.gz QQRQVOMBESSYDE-MRXNPFEDSA-N 1 0 310.869 3.961 20 10 DHCDRO CC[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128169 1025793299 /nfs/dbraw/zinc/79/32/99/1025793299.db2.gz GXMHVDZURZPWQZ-CYBMUJFWSA-N 1 0 305.249 3.691 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000806170045 1025795112 /nfs/dbraw/zinc/79/51/12/1025795112.db2.gz VWVPSGCFPYHGMW-MJGOQNOKSA-N 1 0 318.505 3.982 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000886774192 1025893182 /nfs/dbraw/zinc/89/31/82/1025893182.db2.gz JNQDLZSPUYARRX-KDOFPFPSSA-N 1 0 319.445 3.791 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000886774849 1025893451 /nfs/dbraw/zinc/89/34/51/1025893451.db2.gz WSIMFKUSURUFQP-GUYCJALGSA-N 1 0 307.409 3.921 20 10 DHCDRO COc1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897483728 1025906716 /nfs/dbraw/zinc/90/67/16/1025906716.db2.gz USHHMGZPGKCPQX-UHFFFAOYSA-N 1 0 303.789 3.573 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccccc1O ZINC000248385371 1025954140 /nfs/dbraw/zinc/95/41/40/1025954140.db2.gz IDXMZQYBETVGKC-SNUQEOBHSA-N 1 0 303.377 3.694 20 10 DHCDRO COc1ccc(C[NH2+]CCOc2ccc(Cl)cc2)cc1C ZINC000806681627 1025959536 /nfs/dbraw/zinc/95/95/36/1025959536.db2.gz LDERXLMQRNMCFK-UHFFFAOYSA-N 1 0 305.805 3.826 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000248518721 1025968712 /nfs/dbraw/zinc/96/87/12/1025968712.db2.gz QCXSBTMCWUKMKY-XZOAIXRZSA-N 1 0 301.361 3.712 20 10 DHCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090763106 1026085191 /nfs/dbraw/zinc/08/51/91/1026085191.db2.gz YNEOLQBPBBVMBF-OLZOCXBDSA-N 1 0 301.434 3.812 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289661764 1026119244 /nfs/dbraw/zinc/11/92/44/1026119244.db2.gz GTXOJQQTTCDOKV-CVAIRZPRSA-N 1 0 311.425 3.517 20 10 DHCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000093643819 1026121002 /nfs/dbraw/zinc/12/10/02/1026121002.db2.gz GCEYNGOCJYGTGA-XLIONFOSSA-N 1 0 315.505 3.591 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000289787027 1026174090 /nfs/dbraw/zinc/17/40/90/1026174090.db2.gz LOQMUXMFDRYJOD-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(O)c1 ZINC000289827478 1026189448 /nfs/dbraw/zinc/18/94/48/1026189448.db2.gz PFCDDFNKUOYFLU-QSFXBCCZSA-N 1 0 311.425 3.517 20 10 DHCDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000808421308 1026284525 /nfs/dbraw/zinc/28/45/25/1026284525.db2.gz BEJQRWVNBQFAIV-QGZVFWFLSA-N 1 0 317.433 3.863 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1O ZINC000808682922 1026347383 /nfs/dbraw/zinc/34/73/83/1026347383.db2.gz ZGPHAPPXHGNWIW-SNVBAGLBSA-N 1 0 321.833 3.914 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1O ZINC000808680580 1026347617 /nfs/dbraw/zinc/34/76/17/1026347617.db2.gz MNTHXQLKKLXSFP-NSHDSACASA-N 1 0 323.795 3.836 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N(C)C)c1O ZINC000808676213 1026353656 /nfs/dbraw/zinc/35/36/56/1026353656.db2.gz HMTGTSZCYHVMGV-LBPRGKRZSA-N 1 0 319.836 3.666 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1O ZINC000808675365 1026354309 /nfs/dbraw/zinc/35/43/09/1026354309.db2.gz DQORIXCLMYVXIP-NHYWBVRUSA-N 1 0 319.836 3.816 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1O ZINC000808672157 1026354567 /nfs/dbraw/zinc/35/45/67/1026354567.db2.gz FJYRLOXRLLNOJE-MLGOLLRUSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)c1O ZINC000808705411 1026358419 /nfs/dbraw/zinc/35/84/19/1026358419.db2.gz YUNXBSYBPOBJLS-ZDUSSCGKSA-N 1 0 310.869 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(CO)cc2)c1O ZINC000808709726 1026361013 /nfs/dbraw/zinc/36/10/13/1026361013.db2.gz HOVXOITYJAIELD-ZDUSSCGKSA-N 1 0 319.832 3.740 20 10 DHCDRO COc1cncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000808710550 1026361293 /nfs/dbraw/zinc/36/12/93/1026361293.db2.gz KQDJZEUTNNJOQI-UHFFFAOYSA-N 1 0 313.445 3.567 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000808715636 1026362032 /nfs/dbraw/zinc/36/20/32/1026362032.db2.gz WSCQGVMUQIIVAQ-SGIREYDYSA-N 1 0 309.837 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000808716463 1026366071 /nfs/dbraw/zinc/36/60/71/1026366071.db2.gz OACOIFAGDGIDDL-ZDUSSCGKSA-N 1 0 323.864 3.947 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c1O ZINC000808697677 1026373632 /nfs/dbraw/zinc/37/36/32/1026373632.db2.gz QWTHPIDUCKEFKI-YGRLFVJLSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CCCC2)c1O ZINC000808700007 1026375813 /nfs/dbraw/zinc/37/58/13/1026375813.db2.gz HFTZASFNDNIXRZ-ZDUSSCGKSA-N 1 0 311.853 3.947 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000808729017 1026382545 /nfs/dbraw/zinc/38/25/45/1026382545.db2.gz XXLBVDUACJRNBO-LPHOPBHVSA-N 1 0 310.441 3.970 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693383 1026585873 /nfs/dbraw/zinc/58/58/73/1026585873.db2.gz UWRLTZLXEIBUCL-LJQANCHMSA-N 1 0 312.461 3.983 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809728697 1026595220 /nfs/dbraw/zinc/59/52/20/1026595220.db2.gz FSHGDEAMAVRVGU-HNNXBMFYSA-N 1 0 318.804 3.786 20 10 DHCDRO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000809703674 1026599750 /nfs/dbraw/zinc/59/97/50/1026599750.db2.gz SKSRGLAADRMOKG-HXUWFJFHSA-N 1 0 311.425 3.646 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(C)cc1O ZINC000280149242 1026600434 /nfs/dbraw/zinc/60/04/34/1026600434.db2.gz QCJPWCUJEDAOMI-KRWDZBQOSA-N 1 0 309.413 3.898 20 10 DHCDRO Cc1cc(F)ccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713456 1026601240 /nfs/dbraw/zinc/60/12/40/1026601240.db2.gz QUBNPNFZAWYBPN-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO Cc1ccc(F)c(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809713170 1026602371 /nfs/dbraw/zinc/60/23/71/1026602371.db2.gz KNZBNMHQZWGPHP-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809767536 1026606614 /nfs/dbraw/zinc/60/66/14/1026606614.db2.gz NLQVGMQQRKHZIK-LJQANCHMSA-N 1 0 313.441 3.898 20 10 DHCDRO Cc1cccc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774735 1026607490 /nfs/dbraw/zinc/60/74/90/1026607490.db2.gz YHFSPKGQVIWSNS-SJORKVTESA-N 1 0 313.441 3.687 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)c1O ZINC000809739893 1026611048 /nfs/dbraw/zinc/61/10/48/1026611048.db2.gz GBHUYNXFLOYORF-LBPRGKRZSA-N 1 0 321.367 3.790 20 10 DHCDRO CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(OC)c1O ZINC000809739655 1026611404 /nfs/dbraw/zinc/61/14/04/1026611404.db2.gz ALVHYXMUPBEAPJ-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CCC(CC)[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809788017 1026626442 /nfs/dbraw/zinc/62/64/42/1026626442.db2.gz LKCFWUROKJZYMY-UHFFFAOYSA-N 1 0 308.441 3.673 20 10 DHCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000809791435 1026629470 /nfs/dbraw/zinc/62/94/70/1026629470.db2.gz YQYPDBBTGVJHOX-LJQANCHMSA-N 1 0 304.478 3.517 20 10 DHCDRO Cc1nc(C)c(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000809945908 1026643639 /nfs/dbraw/zinc/64/36/39/1026643639.db2.gz GVMMHLIUHYXDAX-UHFFFAOYSA-N 1 0 300.402 3.942 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1O ZINC000280757091 1026703433 /nfs/dbraw/zinc/70/34/33/1026703433.db2.gz YKCZGFQMQGNFBA-HDJSIYSDSA-N 1 0 301.361 3.576 20 10 DHCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810218079 1026708644 /nfs/dbraw/zinc/70/86/44/1026708644.db2.gz OLPJVOGDLDJRTC-XEGUGMAKSA-N 1 0 319.367 3.859 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1O ZINC000810218384 1026709422 /nfs/dbraw/zinc/70/94/22/1026709422.db2.gz IQILXSSJKFDIPQ-CQSZACIVSA-N 1 0 314.429 3.626 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810217377 1026709793 /nfs/dbraw/zinc/70/97/93/1026709793.db2.gz CFQDYJBCXCMCNU-DGCLKSJQSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223058 1026711218 /nfs/dbraw/zinc/71/12/18/1026711218.db2.gz HCZFDSJIDVBGOL-MFKMUULPSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810226387 1026713144 /nfs/dbraw/zinc/71/31/44/1026713144.db2.gz FEODHXXCYZHEIZ-PWSUYJOCSA-N 1 0 305.365 3.957 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227789 1026713781 /nfs/dbraw/zinc/71/37/81/1026713781.db2.gz JMZQYWVRYJZMMZ-JSGCOSHPSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810207666 1026716935 /nfs/dbraw/zinc/71/69/35/1026716935.db2.gz MTQURUBHPCJUAQ-CYBMUJFWSA-N 1 0 318.383 3.792 20 10 DHCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810261838 1026721198 /nfs/dbraw/zinc/72/11/98/1026721198.db2.gz KSCKOWYKBGVYQH-NFAWXSAZSA-N 1 0 308.441 3.790 20 10 DHCDRO C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810237787 1026726236 /nfs/dbraw/zinc/72/62/36/1026726236.db2.gz WFQLTLKXOSXLLB-MOBDVTQCSA-N 1 0 317.351 3.779 20 10 DHCDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000811520255 1027020555 /nfs/dbraw/zinc/02/05/55/1027020555.db2.gz MNFPSKMDCVAKPM-HNNXBMFYSA-N 1 0 308.441 3.673 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1O ZINC000894261900 1027027105 /nfs/dbraw/zinc/02/71/05/1027027105.db2.gz WGUQPWVAZSVLEB-KDOFPFPSSA-N 1 0 321.461 3.640 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000811781550 1027081948 /nfs/dbraw/zinc/08/19/48/1027081948.db2.gz DRCFJARNXDTLMY-NRFANRHFSA-N 1 0 323.436 3.979 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000811793250 1027093199 /nfs/dbraw/zinc/09/31/99/1027093199.db2.gz UVSDJPNQKIASQE-SJLPKXTDSA-N 1 0 301.430 3.543 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000811793249 1027093314 /nfs/dbraw/zinc/09/33/14/1027093314.db2.gz UVSDJPNQKIASQE-FUHWJXTLSA-N 1 0 301.430 3.543 20 10 DHCDRO Cc1cccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1O ZINC000271854315 1027163695 /nfs/dbraw/zinc/16/36/95/1027163695.db2.gz XBATZPWRPVKFNI-UHFFFAOYSA-N 1 0 319.408 3.866 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(F)C3)cc2)CC1 ZINC000295301654 1027188576 /nfs/dbraw/zinc/18/85/76/1027188576.db2.gz FHYBRKMPXYLPAU-IBGZPJMESA-N 1 0 320.452 3.626 20 10 DHCDRO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001170667833 1027211085 /nfs/dbraw/zinc/21/10/85/1027211085.db2.gz YVVOSEAUCRLBOO-MRXNPFEDSA-N 1 0 315.363 3.547 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894269430 1027247050 /nfs/dbraw/zinc/24/70/50/1027247050.db2.gz NIEDRKNOMMRYIC-QGZVFWFLSA-N 1 0 320.458 3.889 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000812716110 1027372587 /nfs/dbraw/zinc/37/25/87/1027372587.db2.gz HTUYNXMMWNWUFN-FQEVSTJZSA-N 1 0 310.441 3.934 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCCF)c1O ZINC000812737810 1027382847 /nfs/dbraw/zinc/38/28/47/1027382847.db2.gz ZQUUYZLQXJLHIS-JTQLQIEISA-N 1 0 304.203 3.863 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000812776987 1027399703 /nfs/dbraw/zinc/39/97/03/1027399703.db2.gz UFFOBZJOOQZEMP-IBGZPJMESA-N 1 0 302.462 3.676 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000295812202 1027438976 /nfs/dbraw/zinc/43/89/76/1027438976.db2.gz CUHMOPUSBYHZDD-GOSISDBHSA-N 1 0 308.425 3.638 20 10 DHCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2sccc21 ZINC000296230421 1027581731 /nfs/dbraw/zinc/58/17/31/1027581731.db2.gz AGPUGLYOLGWZSH-KBXCAEBGSA-N 1 0 315.438 3.519 20 10 DHCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1[O-] ZINC000296333320 1027606292 /nfs/dbraw/zinc/60/62/92/1027606292.db2.gz HJRXEUFOLAIRPL-XQERAMJGSA-N 1 0 308.853 3.712 20 10 DHCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000780791959 1027667999 /nfs/dbraw/zinc/66/79/99/1027667999.db2.gz DKOVCRRSKMDFSB-YPMHNXCESA-N 1 0 317.351 3.954 20 10 DHCDRO Cc1ccoc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000813791031 1027713099 /nfs/dbraw/zinc/71/30/99/1027713099.db2.gz ORSCEGTYLLJRCP-UHFFFAOYSA-N 1 0 312.335 3.963 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000813793669 1027713875 /nfs/dbraw/zinc/71/38/75/1027713875.db2.gz WYAKLALYCLRQNC-UGSOOPFHSA-N 1 0 317.454 3.857 20 10 DHCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000159104270 1027725051 /nfs/dbraw/zinc/72/50/51/1027725051.db2.gz YZSFAVNRLRJBNL-ZBFHGGJFSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H]1C ZINC000813855730 1027729807 /nfs/dbraw/zinc/72/98/07/1027729807.db2.gz SPRACYGXVVHHFC-CIBFVHANSA-N 1 0 320.452 3.573 20 10 DHCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@H](C)c1ccccc1 ZINC000778996414 1027735793 /nfs/dbraw/zinc/73/57/93/1027735793.db2.gz OCMDQJIOCVTALD-CQSZACIVSA-N 1 0 303.377 3.741 20 10 DHCDRO COC1CCN(c2ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC000296819180 1027742002 /nfs/dbraw/zinc/74/20/02/1027742002.db2.gz QULBXZUOJJAOFO-ROUUACIJSA-N 1 0 314.473 3.534 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000363794858 1027748832 /nfs/dbraw/zinc/74/88/32/1027748832.db2.gz DXVFLZZKQPVWAA-UHFFFAOYSA-N 1 0 314.473 3.726 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000813883492 1027750377 /nfs/dbraw/zinc/75/03/77/1027750377.db2.gz NRKMDCHWOMYVFA-PBHICJAKSA-N 1 0 314.404 3.851 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000813883849 1027751567 /nfs/dbraw/zinc/75/15/67/1027751567.db2.gz OWCQJANXOLSYAU-OCCSQVGLSA-N 1 0 318.367 3.600 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)c(O)c1 ZINC000778181723 1027777396 /nfs/dbraw/zinc/77/73/96/1027777396.db2.gz NPWSRUMRZBSXNC-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614508 1027983263 /nfs/dbraw/zinc/98/32/63/1027983263.db2.gz UMLMTZRKEKHVDW-DZGCQCFKSA-N 1 0 305.809 3.640 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527965264 1028008094 /nfs/dbraw/zinc/00/80/94/1028008094.db2.gz LURRVRMBKFDGPT-YJYMSZOUSA-N 1 0 312.413 3.988 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366544075 1028096247 /nfs/dbraw/zinc/09/62/47/1028096247.db2.gz KNYCBRCAZHLMCY-SCLBCKFNSA-N 1 0 312.413 3.940 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000779063199 1028127569 /nfs/dbraw/zinc/12/75/69/1028127569.db2.gz BXPGVGYTCALUDW-KFKAGJAMSA-N 1 0 316.489 3.877 20 10 DHCDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000780793965 1028183764 /nfs/dbraw/zinc/18/37/64/1028183764.db2.gz ZWXZOGOGVQBXGR-GXTWGEPZSA-N 1 0 300.368 3.915 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000779088278 1028212498 /nfs/dbraw/zinc/21/24/98/1028212498.db2.gz SBGQYGADIVJJQK-QGZVFWFLSA-N 1 0 303.402 3.652 20 10 DHCDRO Cc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)ccc1N(C)C ZINC000815061131 1028347556 /nfs/dbraw/zinc/34/75/56/1028347556.db2.gz KDBWYELDVNSOAC-UHFFFAOYSA-N 1 0 304.478 3.841 20 10 DHCDRO COc1ccc(C2([NH2+]Cc3ccc(N(C)C)c(C)c3)CC2)cc1 ZINC000815083374 1028355714 /nfs/dbraw/zinc/35/57/14/1028355714.db2.gz OKYTVFFDYDZMHO-UHFFFAOYSA-N 1 0 310.441 3.849 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC000815095809 1028376621 /nfs/dbraw/zinc/37/66/21/1028376621.db2.gz YTYWKIIHARQJCT-OAQYLSRUSA-N 1 0 322.452 3.692 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c(O)c1C ZINC000368653553 1028388944 /nfs/dbraw/zinc/38/89/44/1028388944.db2.gz SUXHQMYPYMWRNW-ZOCIIQOWSA-N 1 0 303.446 3.865 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000779152455 1028442448 /nfs/dbraw/zinc/44/24/48/1028442448.db2.gz ABZDNLCYVKGDBU-PKOBYXMFSA-N 1 0 304.478 3.516 20 10 DHCDRO COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000188279937 1028502499 /nfs/dbraw/zinc/50/24/99/1028502499.db2.gz MLWDYBJHAQCORT-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)c(O)c1 ZINC000815553345 1028539496 /nfs/dbraw/zinc/53/94/96/1028539496.db2.gz XZWRCYJSVZTEGL-MRXNPFEDSA-N 1 0 304.478 3.924 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)c(O)c1 ZINC000815553344 1028540497 /nfs/dbraw/zinc/54/04/97/1028540497.db2.gz XZWRCYJSVZTEGL-INIZCTEOSA-N 1 0 304.478 3.924 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878255 1028542824 /nfs/dbraw/zinc/54/28/24/1028542824.db2.gz OWVHLWKADCBOTI-PKOBYXMFSA-N 1 0 315.388 3.576 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577465 1028550895 /nfs/dbraw/zinc/55/08/95/1028550895.db2.gz QVMNSCKOXNGSRG-QUCCMNQESA-N 1 0 313.441 3.817 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000815577949 1028552016 /nfs/dbraw/zinc/55/20/16/1028552016.db2.gz DKLQDMNSBAYXFQ-GOSISDBHSA-N 1 0 311.425 3.571 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1cccn1 ZINC000815591142 1028559636 /nfs/dbraw/zinc/55/96/36/1028559636.db2.gz YJOQBVRQTHAGFU-LJQANCHMSA-N 1 0 321.424 3.552 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ncccc2Cl)c(O)c1 ZINC000815595878 1028561469 /nfs/dbraw/zinc/56/14/69/1028561469.db2.gz FFZGNNKTCJAZMO-CYBMUJFWSA-N 1 0 320.820 3.787 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)c(O)c1 ZINC000815596053 1028561752 /nfs/dbraw/zinc/56/17/52/1028561752.db2.gz JFMRWUVWVWOZBQ-CYBMUJFWSA-N 1 0 320.820 3.787 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595587 1028561764 /nfs/dbraw/zinc/56/17/64/1028561764.db2.gz VXZALVVCZMXJER-LJQANCHMSA-N 1 0 321.424 3.887 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000815619783 1028574616 /nfs/dbraw/zinc/57/46/16/1028574616.db2.gz XRTIZXBOGYKGFM-HOTGVXAUSA-N 1 0 315.461 3.833 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccc3)C2)cc1 ZINC000076360807 1028587476 /nfs/dbraw/zinc/58/74/76/1028587476.db2.gz CYRKHMSVYZUNIF-SJORKVTESA-N 1 0 310.441 3.872 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1O ZINC000815643100 1028589615 /nfs/dbraw/zinc/58/96/15/1028589615.db2.gz UBRIETQJVUWASB-HZMBPMFUSA-N 1 0 306.793 3.948 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cc[nH]c(=O)c1 ZINC000815642727 1028589666 /nfs/dbraw/zinc/58/96/66/1028589666.db2.gz KINSZYJEGCCQHU-OLZOCXBDSA-N 1 0 312.413 3.783 20 10 DHCDRO CCC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1O ZINC000372409886 1028848298 /nfs/dbraw/zinc/84/82/98/1028848298.db2.gz MFUFGYSGFIOWFV-UHFFFAOYSA-N 1 0 322.412 3.590 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc3ccccc3c2O)ccc1O ZINC000816484160 1028893329 /nfs/dbraw/zinc/89/33/29/1028893329.db2.gz RCAPNEURFUPWIC-UHFFFAOYSA-N 1 0 323.392 3.892 20 10 DHCDRO Cc1sccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816481542 1028894154 /nfs/dbraw/zinc/89/41/54/1028894154.db2.gz ZUKFHYHRJULVDM-QGZVFWFLSA-N 1 0 317.454 3.943 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000372789501 1028900371 /nfs/dbraw/zinc/90/03/71/1028900371.db2.gz VEHLEEDMYHQHHF-UHFFFAOYSA-N 1 0 324.380 3.736 20 10 DHCDRO Oc1c(CN2CCC[N@@H+](C3CCCC3)CC2)ccc2ccccc21 ZINC000816499655 1028908419 /nfs/dbraw/zinc/90/84/19/1028908419.db2.gz WOMWTAFQVNYIBM-UHFFFAOYSA-N 1 0 324.468 3.996 20 10 DHCDRO Oc1c(C[NH+]2CCC(OCC3CC3)CC2)ccc2ccccc21 ZINC000816515924 1028917939 /nfs/dbraw/zinc/91/79/39/1028917939.db2.gz PIRDJBAFPWDNKZ-UHFFFAOYSA-N 1 0 311.425 3.936 20 10 DHCDRO COCc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816531513 1028922030 /nfs/dbraw/zinc/92/20/30/1028922030.db2.gz UKJSJHHUJSWXKJ-UHFFFAOYSA-N 1 0 307.393 3.982 20 10 DHCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816588081 1028939500 /nfs/dbraw/zinc/93/95/00/1028939500.db2.gz FNJMSCDHRUUXIY-IBGZPJMESA-N 1 0 321.420 3.547 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558488 1028941115 /nfs/dbraw/zinc/94/11/15/1028941115.db2.gz AQMXTFZSMJKMEK-UHFFFAOYSA-N 1 0 323.440 3.694 20 10 DHCDRO OCC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816552721 1028941669 /nfs/dbraw/zinc/94/16/69/1028941669.db2.gz UMGFJTAOIAUCKW-SFHVURJKSA-N 1 0 321.420 3.801 20 10 DHCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816563114 1028946283 /nfs/dbraw/zinc/94/62/83/1028946283.db2.gz KVONOBAWIHJZOD-UHFFFAOYSA-N 1 0 306.409 3.901 20 10 DHCDRO Oc1c(C[NH2+]C[C@H](O)CCc2ccccc2)ccc2ccccc21 ZINC000816569043 1028948531 /nfs/dbraw/zinc/94/85/31/1028948531.db2.gz XGOQNYUWTWLTSX-LJQANCHMSA-N 1 0 321.420 3.629 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCO[C@@H]1C1CC1 ZINC000816570805 1028950451 /nfs/dbraw/zinc/95/04/51/1028950451.db2.gz HUOIAOLMEHJSKF-WOJBJXKFSA-N 1 0 311.425 3.840 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000816650809 1028977370 /nfs/dbraw/zinc/97/73/70/1028977370.db2.gz DIBWWHPQWHQVDE-UHFFFAOYSA-N 1 0 315.266 3.562 20 10 DHCDRO Cc1ccc2cc(C[NH2+]Cc3ccc4c(c3)CCN4C)ccc2n1 ZINC000373425316 1029039282 /nfs/dbraw/zinc/03/92/82/1029039282.db2.gz BYDPEKXULLDAPN-UHFFFAOYSA-N 1 0 317.436 3.825 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1F ZINC000817411756 1029152683 /nfs/dbraw/zinc/15/26/83/1029152683.db2.gz VPOWOMSUDOAQQY-CQSZACIVSA-N 1 0 308.466 3.515 20 10 DHCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC000817575172 1029203844 /nfs/dbraw/zinc/20/38/44/1029203844.db2.gz FQVUDNLLUXMYOZ-MRXNPFEDSA-N 1 0 302.462 3.724 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000155230841 1029204652 /nfs/dbraw/zinc/20/46/52/1029204652.db2.gz KLHCMJVSJJZMAF-MSOLQXFVSA-N 1 0 316.420 3.875 20 10 DHCDRO CC[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1O ZINC000155265801 1029216744 /nfs/dbraw/zinc/21/67/44/1029216744.db2.gz SMGFOLPFTCLBON-INIZCTEOSA-N 1 0 316.470 3.553 20 10 DHCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000817938107 1029282107 /nfs/dbraw/zinc/28/21/07/1029282107.db2.gz DQVGICRXSVAHHB-KSSFIOAISA-N 1 0 323.440 3.849 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000817938052 1029282705 /nfs/dbraw/zinc/28/27/05/1029282705.db2.gz CKTWTVSTCDOSLU-UZLBHIALSA-N 1 0 311.473 3.720 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817937989 1029283187 /nfs/dbraw/zinc/28/31/87/1029283187.db2.gz AXJVOYQKTMBSSQ-SCLBCKFNSA-N 1 0 317.864 3.757 20 10 DHCDRO Cc1ccc([C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000817942821 1029283911 /nfs/dbraw/zinc/28/39/11/1029283911.db2.gz RBPHIVKOXQIFMW-SFTDATJTSA-N 1 0 323.484 3.802 20 10 DHCDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817946117 1029286190 /nfs/dbraw/zinc/28/61/90/1029286190.db2.gz RVBLWBJIKUAZHW-WBVHZDCISA-N 1 0 319.468 3.609 20 10 DHCDRO CC(C)N(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000155730089 1029288526 /nfs/dbraw/zinc/28/85/26/1029288526.db2.gz JPOFYBQAAAQVRW-QGZVFWFLSA-N 1 0 303.494 3.668 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000817956190 1029296648 /nfs/dbraw/zinc/29/66/48/1029296648.db2.gz SVZXMYDQAYDSNF-XLIONFOSSA-N 1 0 310.441 3.569 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958638 1029297543 /nfs/dbraw/zinc/29/75/43/1029297543.db2.gz KZDPVZQWLNRLMD-CHWSQXEVSA-N 1 0 305.249 3.723 20 10 DHCDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817960626 1029302306 /nfs/dbraw/zinc/30/23/06/1029302306.db2.gz OZKTTZCJZWTART-VIFPVBQESA-N 1 0 305.249 3.867 20 10 DHCDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(OC)ccc1O ZINC000191189870 1029306896 /nfs/dbraw/zinc/30/68/96/1029306896.db2.gz MRIAEJYSDLZCAY-UHFFFAOYSA-N 1 0 310.397 3.904 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000817978122 1029316747 /nfs/dbraw/zinc/31/67/47/1029316747.db2.gz WLSAECNPDPBNJS-ZDUSSCGKSA-N 1 0 312.413 3.610 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984371 1029320267 /nfs/dbraw/zinc/32/02/67/1029320267.db2.gz RKAVFDSGEQMVLF-GWCFXTLKSA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817984176 1029324028 /nfs/dbraw/zinc/32/40/28/1029324028.db2.gz VTAJWTLDBQJIQM-SJKOYZFVSA-N 1 0 320.383 3.801 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCc4ccccc43)C2)cc1 ZINC000818116639 1029336612 /nfs/dbraw/zinc/33/66/12/1029336612.db2.gz NTRPIZDGWNTKIU-KKSFZXQISA-N 1 0 322.452 3.799 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000818222488 1029356345 /nfs/dbraw/zinc/35/63/45/1029356345.db2.gz YBCTWQFFKSQZDG-QGZVFWFLSA-N 1 0 302.462 3.691 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccsc3C)C2)cc1 ZINC000818222519 1029356980 /nfs/dbraw/zinc/35/69/80/1029356980.db2.gz UKKWXMVYJWTYMC-OAHLLOKOSA-N 1 0 316.470 3.681 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231489 1029359502 /nfs/dbraw/zinc/35/95/02/1029359502.db2.gz XLBMUAQSVUWFOL-FUHWJXTLSA-N 1 0 301.361 3.518 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC000818230674 1029359999 /nfs/dbraw/zinc/35/99/99/1029359999.db2.gz RIDAZXUTLCRNCA-QZTJIDSGSA-N 1 0 301.361 3.518 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342233 1029373553 /nfs/dbraw/zinc/37/35/53/1029373553.db2.gz NMLQVHATKVHABB-GPMSIDNRSA-N 1 0 302.462 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccccc1O ZINC000156082985 1029374546 /nfs/dbraw/zinc/37/45/46/1029374546.db2.gz CPBRISLMILGLRR-ZBFHGGJFSA-N 1 0 315.413 3.909 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccccc1O ZINC000156083208 1029374787 /nfs/dbraw/zinc/37/47/87/1029374787.db2.gz CPBRISLMILGLRR-HOCLYGCPSA-N 1 0 315.413 3.909 20 10 DHCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000818357139 1029384336 /nfs/dbraw/zinc/38/43/36/1029384336.db2.gz YNMZDBBMYBSEND-AWEZNQCLSA-N 1 0 319.445 3.727 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000818616702 1029420924 /nfs/dbraw/zinc/42/09/24/1029420924.db2.gz ZTXZMXYWKMMIPC-GGZOMVNGSA-N 1 0 303.233 3.620 20 10 DHCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063978 1029476643 /nfs/dbraw/zinc/47/66/43/1029476643.db2.gz RCYWKCRGXAGCEB-HNNXBMFYSA-N 1 0 322.499 3.565 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)c1 ZINC000529652810 1029488437 /nfs/dbraw/zinc/48/84/37/1029488437.db2.gz QNALYJWLZHBERB-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000529669309 1029502163 /nfs/dbraw/zinc/50/21/63/1029502163.db2.gz LIXRVDINTDSWGS-UHFFFAOYSA-N 1 0 321.424 3.504 20 10 DHCDRO CO[C@@](C)(C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000820851867 1029780411 /nfs/dbraw/zinc/78/04/11/1029780411.db2.gz UCYZINYSISBMPY-FQEVSTJZSA-N 1 0 316.489 3.924 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000290110094 1029901060 /nfs/dbraw/zinc/90/10/60/1029901060.db2.gz IEAVXYMFYNKWEG-BETUJISGSA-N 1 0 317.351 3.954 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000865531329 1029903074 /nfs/dbraw/zinc/90/30/74/1029903074.db2.gz IGYACVVQZRAHCI-GFCCVEGCSA-N 1 0 305.372 3.936 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000865723890 1029989284 /nfs/dbraw/zinc/98/92/84/1029989284.db2.gz VKUMBRFHHADSFA-UHFFFAOYSA-N 1 0 303.402 3.890 20 10 DHCDRO CCOCc1cc(C[NH2+]CC[C@H]2CCCS2)ccc1OC ZINC000865725190 1029991681 /nfs/dbraw/zinc/99/16/81/1029991681.db2.gz UOHQDFYVLXFHJM-MRXNPFEDSA-N 1 0 309.475 3.607 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000865725478 1029992214 /nfs/dbraw/zinc/99/22/14/1029992214.db2.gz JEUUTQHHIVYWFK-UHFFFAOYSA-N 1 0 324.468 3.895 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000865822096 1030040398 /nfs/dbraw/zinc/04/03/98/1030040398.db2.gz XTINNUJLTITEJS-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000865839924 1030056658 /nfs/dbraw/zinc/05/66/58/1030056658.db2.gz YCKCJIYNKCWWBH-INIZCTEOSA-N 1 0 314.477 3.897 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120781328 1030067200 /nfs/dbraw/zinc/06/72/00/1030067200.db2.gz BISZGLADDZVVQG-WBAXXEDZSA-N 1 0 316.445 3.899 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120781623 1030070558 /nfs/dbraw/zinc/07/05/58/1030070558.db2.gz BISZGLADDZVVQG-JLSDUUJJSA-N 1 0 316.445 3.899 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccn2)cc1 ZINC000924711120 1030168001 /nfs/dbraw/zinc/16/80/01/1030168001.db2.gz QOWPVJZQKMUDPG-OAHLLOKOSA-N 1 0 313.445 3.787 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000866269619 1030192931 /nfs/dbraw/zinc/19/29/31/1030192931.db2.gz LEXSJSARYSPDBQ-KGLIPLIRSA-N 1 0 312.504 3.563 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(Cl)cc1O ZINC000841757965 1030195112 /nfs/dbraw/zinc/19/51/12/1030195112.db2.gz JKFUSURZRGJAHI-KOLCDFICSA-N 1 0 303.880 3.545 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3cccc(F)c3C2)cc1 ZINC001171005964 1030209877 /nfs/dbraw/zinc/20/98/77/1030209877.db2.gz URGIAEUZFBKMAJ-SFHVURJKSA-N 1 0 312.432 3.881 20 10 DHCDRO CC[C@H]([NH2+]CCCSc1nccs1)c1cccc(OC)n1 ZINC000925104188 1030275474 /nfs/dbraw/zinc/27/54/74/1030275474.db2.gz WFMYBVKXHMCJJE-LBPRGKRZSA-N 1 0 323.487 3.770 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000866403928 1030282334 /nfs/dbraw/zinc/28/23/34/1030282334.db2.gz GFYRSSZIIDHNSR-NJAPINKUSA-N 1 0 301.361 3.712 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866410752 1030284790 /nfs/dbraw/zinc/28/47/90/1030284790.db2.gz RKDQPGBLVZEQGU-KBXCAEBGSA-N 1 0 318.436 3.646 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866408159 1030286098 /nfs/dbraw/zinc/28/60/98/1030286098.db2.gz HMMBFIADCBSWMY-GFCCVEGCSA-N 1 0 314.832 3.575 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(N(C)C)cc1 ZINC000866478850 1030313468 /nfs/dbraw/zinc/31/34/68/1030313468.db2.gz NHHPASAGJKZRED-OAHLLOKOSA-N 1 0 310.441 3.676 20 10 DHCDRO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(N(C)C)cc1 ZINC000866570081 1030382523 /nfs/dbraw/zinc/38/25/23/1030382523.db2.gz CUDZJELXZQCGLN-HNNXBMFYSA-N 1 0 322.456 3.533 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823871973 1030418887 /nfs/dbraw/zinc/41/88/87/1030418887.db2.gz SZWYWIYIUOASEP-ZDUSSCGKSA-N 1 0 323.314 3.595 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@H](C)CO ZINC000824422552 1030550129 /nfs/dbraw/zinc/55/01/29/1030550129.db2.gz CBUNNXLUQJJXPH-OAHLLOKOSA-N 1 0 318.486 3.587 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1 ZINC000824468072 1030566591 /nfs/dbraw/zinc/56/65/91/1030566591.db2.gz BKGYOOZLHATICY-QGZVFWFLSA-N 1 0 301.361 3.707 20 10 DHCDRO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)c(C)cc1O ZINC000824580901 1030595515 /nfs/dbraw/zinc/59/55/15/1030595515.db2.gz LDURPFNSPHAOGJ-UHFFFAOYSA-N 1 0 309.793 3.596 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2scnc2C)cc1F ZINC000824738600 1030614192 /nfs/dbraw/zinc/61/41/92/1030614192.db2.gz ONZXTZSPICYXKN-UHFFFAOYSA-N 1 0 321.465 3.769 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000824774273 1030633154 /nfs/dbraw/zinc/63/31/54/1030633154.db2.gz SCKAQABZOCSULW-ZANVPECISA-N 1 0 304.217 3.635 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000824779929 1030636573 /nfs/dbraw/zinc/63/65/73/1030636573.db2.gz YWIKOOFYHFYNHV-GFCCVEGCSA-N 1 0 322.202 3.737 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824964048 1030670770 /nfs/dbraw/zinc/67/07/70/1030670770.db2.gz IHGOBGYPGCQSNP-AWEZNQCLSA-N 1 0 301.261 3.816 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000291912127 1030695113 /nfs/dbraw/zinc/69/51/13/1030695113.db2.gz MYUGXKHSPFZCGQ-ZDUSSCGKSA-N 1 0 301.434 3.852 20 10 DHCDRO Cc1cc(O)c(CN2CCOC[C@H]2c2ccc(F)cc2)cc1C ZINC000825046852 1030707281 /nfs/dbraw/zinc/70/72/81/1030707281.db2.gz YOTIZRYPALKNJO-SFHVURJKSA-N 1 0 315.388 3.722 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1OC ZINC000825050198 1030709430 /nfs/dbraw/zinc/70/94/30/1030709430.db2.gz OVELCRUVFYXHIL-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CCCc1ncc(C[NH2+]Cc2ccc(N(CC)CC)cc2)o1 ZINC000825078924 1030720010 /nfs/dbraw/zinc/72/00/10/1030720010.db2.gz FVLCCBCIQFELTQ-UHFFFAOYSA-N 1 0 301.434 3.763 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1OCCc2sccc21 ZINC000291981538 1030737714 /nfs/dbraw/zinc/73/77/14/1030737714.db2.gz VKMCDWDRSLDPKI-XWCIJXRUSA-N 1 0 303.427 3.807 20 10 DHCDRO Cc1cccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1O ZINC000825196710 1030751461 /nfs/dbraw/zinc/75/14/61/1030751461.db2.gz MVVOVEAAFXIKRH-UHFFFAOYSA-N 1 0 311.425 3.582 20 10 DHCDRO Cc1nc(C)c(CC[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825258683 1030762835 /nfs/dbraw/zinc/76/28/35/1030762835.db2.gz DKIMWSXVBHROEU-UHFFFAOYSA-N 1 0 310.850 3.760 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278635 1030765160 /nfs/dbraw/zinc/76/51/60/1030765160.db2.gz MYGXIQRTNNMWAX-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825287479 1030767560 /nfs/dbraw/zinc/76/75/60/1030767560.db2.gz KSLZVFZLPPUSJE-HNNXBMFYSA-N 1 0 323.820 3.987 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)cc1OC ZINC000825337148 1030781018 /nfs/dbraw/zinc/78/10/18/1030781018.db2.gz CVRNWDDFONRHGT-SFHVURJKSA-N 1 0 319.445 3.810 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000248948867 1030782031 /nfs/dbraw/zinc/78/20/31/1030782031.db2.gz ZPUQMEWBMFHFMB-QKMWGZLOSA-N 1 0 315.457 3.879 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCSCC(F)(F)F)cc1Cl ZINC000825385201 1030795992 /nfs/dbraw/zinc/79/59/92/1030795992.db2.gz VFDLLDUQZBUDQT-UHFFFAOYSA-N 1 0 313.772 3.739 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC(C)=O)cc1)Cc1ccccc1O ZINC000123036782 1030956312 /nfs/dbraw/zinc/95/63/12/1030956312.db2.gz QXHJRZBSTOJOOQ-UHFFFAOYSA-N 1 0 313.397 3.730 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000926921593 1030997685 /nfs/dbraw/zinc/99/76/85/1030997685.db2.gz VYDLRIYZBAZOJG-OLZOCXBDSA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000926933052 1031002761 /nfs/dbraw/zinc/00/27/61/1031002761.db2.gz CJAOSZLIFBQHMK-CYBMUJFWSA-N 1 0 315.486 3.591 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)c1O ZINC000927038004 1031046951 /nfs/dbraw/zinc/04/69/51/1031046951.db2.gz OTCSJJAFDKZYEL-STQMWFEESA-N 1 0 307.459 3.870 20 10 DHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)n1 ZINC000927054405 1031054253 /nfs/dbraw/zinc/05/42/53/1031054253.db2.gz XZCOJIIRTGRTQH-MCIONIFRSA-N 1 0 315.417 3.633 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc(Cl)ccc1O ZINC000927090316 1031081967 /nfs/dbraw/zinc/08/19/67/1031081967.db2.gz KWDFJEABOYJURB-NSHDSACASA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1O ZINC000927099987 1031087665 /nfs/dbraw/zinc/08/76/65/1031087665.db2.gz DTXWRWSVJBQTTI-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccccc1O ZINC000870988499 1031117811 /nfs/dbraw/zinc/11/78/11/1031117811.db2.gz QVELXNIUGCNYAO-GDBMZVCRSA-N 1 0 318.461 3.647 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3cccc(F)c3O[C@H]2C)c1O ZINC000360348249 1031389123 /nfs/dbraw/zinc/38/91/23/1031389123.db2.gz XBHGASWCSXQEKR-ZBEGNZNMSA-N 1 0 317.360 3.542 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000872030051 1031414443 /nfs/dbraw/zinc/41/44/43/1031414443.db2.gz YDLFTTMYEFIPOX-AZUAARDMSA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CCCC(C)(F)F)CC2)cc1 ZINC000929317025 1031490719 /nfs/dbraw/zinc/49/07/19/1031490719.db2.gz VHBLNXGKAGWFEO-UHFFFAOYSA-N 1 0 312.404 3.643 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2nccnc2C)c1O ZINC000872134050 1031527296 /nfs/dbraw/zinc/52/72/96/1031527296.db2.gz QUBKFYDKRMNBGB-CMPLNLGQSA-N 1 0 305.809 3.864 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134010 1031528808 /nfs/dbraw/zinc/52/88/08/1031528808.db2.gz QDLQRZKDCDMRCV-OCCSQVGLSA-N 1 0 311.429 3.781 20 10 DHCDRO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872250732 1031560292 /nfs/dbraw/zinc/56/02/92/1031560292.db2.gz AHVREKFDBIDBRR-GFCCVEGCSA-N 1 0 317.260 3.567 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1O ZINC000293791887 1031627624 /nfs/dbraw/zinc/62/76/24/1031627624.db2.gz UJZWKVAVCFMWHW-SNVBAGLBSA-N 1 0 311.303 3.984 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@@H](C)C1 ZINC001171190178 1031633247 /nfs/dbraw/zinc/63/32/47/1031633247.db2.gz RBPASAKYOJHBSL-AOIWGVFYSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1 ZINC000293817962 1031637578 /nfs/dbraw/zinc/63/75/78/1031637578.db2.gz RXPJXTCPFFFYBV-HUUCEWRRSA-N 1 0 302.418 3.556 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1C(C)C ZINC000872679341 1031642512 /nfs/dbraw/zinc/64/25/12/1031642512.db2.gz WESCLNABJDWIJD-INIZCTEOSA-N 1 0 313.388 3.680 20 10 DHCDRO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516429 1031674574 /nfs/dbraw/zinc/67/45/74/1031674574.db2.gz YERTWPOUQMYXCF-JTQLQIEISA-N 1 0 307.777 3.650 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1C ZINC000873138454 1031725929 /nfs/dbraw/zinc/72/59/29/1031725929.db2.gz RWBZSJNDMDUFGW-UHFFFAOYSA-N 1 0 313.445 3.685 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873186215 1031747252 /nfs/dbraw/zinc/74/72/52/1031747252.db2.gz JFBNIMFPFIILLU-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CNc3ccccc32)c1 ZINC000873237407 1031769079 /nfs/dbraw/zinc/76/90/79/1031769079.db2.gz PUEPBAJODJKQOQ-KBPBESRZSA-N 1 0 312.413 3.651 20 10 DHCDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000845928205 1031780585 /nfs/dbraw/zinc/78/05/85/1031780585.db2.gz AKTUVTFOBRMJFD-CQSZACIVSA-N 1 0 307.434 3.630 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2scnc2C2CC2)c1 ZINC000845973086 1031789525 /nfs/dbraw/zinc/78/95/25/1031789525.db2.gz WWKQDHZAMCELQA-SNVBAGLBSA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000845970933 1031790006 /nfs/dbraw/zinc/79/00/06/1031790006.db2.gz FVUHLDIZTSWOBV-QWHCGFSZSA-N 1 0 322.408 3.700 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c(O)c1 ZINC000846031843 1031820939 /nfs/dbraw/zinc/82/09/39/1031820939.db2.gz CPIMRHZMQPXTJY-CABCVRRESA-N 1 0 301.789 3.585 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000846039113 1031832251 /nfs/dbraw/zinc/83/22/51/1031832251.db2.gz UERBGPMCTLXEAV-LSDHHAIUSA-N 1 0 301.789 3.585 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000846072830 1031848191 /nfs/dbraw/zinc/84/81/91/1031848191.db2.gz ILDXYBPFIXWPNM-UHFFFAOYSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)c1O ZINC000846150004 1031883666 /nfs/dbraw/zinc/88/36/66/1031883666.db2.gz VZXDVWPBNQXUSP-ZBEGNZNMSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000846158173 1031887240 /nfs/dbraw/zinc/88/72/40/1031887240.db2.gz ULUBALFOCLYZJT-ZENOOKHLSA-N 1 0 307.434 3.645 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158423 1031888182 /nfs/dbraw/zinc/88/81/82/1031888182.db2.gz YGPGLSBFCCMPLN-QMTHXVAHSA-N 1 0 304.390 3.808 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1O ZINC000846156989 1031889526 /nfs/dbraw/zinc/88/95/26/1031889526.db2.gz QWOBJRVLXPUFRQ-ZDUSSCGKSA-N 1 0 315.417 3.563 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)c1O ZINC000846167901 1031895003 /nfs/dbraw/zinc/89/50/03/1031895003.db2.gz NSDQHRHWJBXIRO-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1O ZINC000846167195 1031895657 /nfs/dbraw/zinc/89/56/57/1031895657.db2.gz IAULTJIHJAJDKQ-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000846172069 1031896684 /nfs/dbraw/zinc/89/66/84/1031896684.db2.gz WISNZXZEJKRAQG-SECBINFHSA-N 1 0 311.303 3.669 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000846169593 1031897215 /nfs/dbraw/zinc/89/72/15/1031897215.db2.gz IFMKPFZKGCGFSK-STQMWFEESA-N 1 0 315.438 3.941 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000846168321 1031898401 /nfs/dbraw/zinc/89/84/01/1031898401.db2.gz SBXDQPGOADCAGN-XHDPSFHLSA-N 1 0 317.816 3.872 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000846138244 1031899288 /nfs/dbraw/zinc/89/92/88/1031899288.db2.gz JBWKSHKRENATBT-RYUDHWBXSA-N 1 0 315.369 3.541 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846136461 1031900214 /nfs/dbraw/zinc/90/02/14/1031900214.db2.gz IIITVFIPECQUOJ-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1O ZINC000846140926 1031900517 /nfs/dbraw/zinc/90/05/17/1031900517.db2.gz AEIPWZRIEPMYOH-BDJLRTHQSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2ccccc2F)c1O ZINC000846139711 1031900815 /nfs/dbraw/zinc/90/08/15/1031900815.db2.gz SHMXXHWMXLLGOP-CYBMUJFWSA-N 1 0 319.376 3.660 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCNc2ccccc2)c1O ZINC000846143809 1031902461 /nfs/dbraw/zinc/90/24/61/1031902461.db2.gz HSOYZANGWPXDQB-CQSZACIVSA-N 1 0 300.402 3.554 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cccc(OC)c2O)o1 ZINC000846143060 1031903204 /nfs/dbraw/zinc/90/32/04/1031903204.db2.gz AIJISMMVESDDLZ-DOMZBBRYSA-N 1 0 319.401 3.595 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(SC)cc2)c1O ZINC000846144915 1031907170 /nfs/dbraw/zinc/90/71/70/1031907170.db2.gz OBZWMWGSGMMEHY-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000846147047 1031907237 /nfs/dbraw/zinc/90/72/37/1031907237.db2.gz VCEQYYOACRIJIR-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(C)c2)c1O ZINC000846143463 1031907737 /nfs/dbraw/zinc/90/77/37/1031907737.db2.gz BYBNUNSOMJEUBH-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146920 1031909098 /nfs/dbraw/zinc/90/90/98/1031909098.db2.gz SWOKXANHXLCXMC-STQMWFEESA-N 1 0 303.406 3.590 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000846182187 1031916786 /nfs/dbraw/zinc/91/67/86/1031916786.db2.gz ADISXXOSFUQJDE-LKTVYLICSA-N 1 0 301.789 3.756 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846185992 1031919169 /nfs/dbraw/zinc/91/91/69/1031919169.db2.gz CHYZPCGIRAUXEH-FOIQADDNSA-N 1 0 316.489 3.999 20 10 DHCDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846214758 1031931696 /nfs/dbraw/zinc/93/16/96/1031931696.db2.gz WHNQWKGQBDYCPB-CQSZACIVSA-N 1 0 318.436 3.646 20 10 DHCDRO CCCN(Cc1cc(COC)cs1)c1ccc(C[NH3+])cc1 ZINC000825710316 1031964973 /nfs/dbraw/zinc/96/49/73/1031964973.db2.gz LWFAGECPJUEDSB-UHFFFAOYSA-N 1 0 304.459 3.770 20 10 DHCDRO Cc1ncccc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000898259399 1032007886 /nfs/dbraw/zinc/00/78/86/1032007886.db2.gz JIYVUYLMOQPZOR-UHFFFAOYSA-N 1 0 309.457 3.713 20 10 DHCDRO CN(C(=O)c1ccccc1CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000846669837 1032037152 /nfs/dbraw/zinc/03/71/52/1032037152.db2.gz VEDYGDKTWVNRLL-UHFFFAOYSA-N 1 0 310.441 3.762 20 10 DHCDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000772950707 1032041879 /nfs/dbraw/zinc/04/18/79/1032041879.db2.gz ATPMDTYNRWPPHM-SFHVURJKSA-N 1 0 313.441 3.946 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC000877395894 1033295094 /nfs/dbraw/zinc/29/50/94/1033295094.db2.gz OYQYHLHUSNVBPM-INIZCTEOSA-N 1 0 301.386 3.777 20 10 DHCDRO Cc1cccc(O)c1CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000877470816 1033311461 /nfs/dbraw/zinc/31/14/61/1033311461.db2.gz NERRILJZHLQOOR-AWEZNQCLSA-N 1 0 323.396 3.525 20 10 DHCDRO CCOc1cc(F)cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000877533753 1033339962 /nfs/dbraw/zinc/33/99/62/1033339962.db2.gz ROMZEECRBZDFMR-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877548682 1033349162 /nfs/dbraw/zinc/34/91/62/1033349162.db2.gz QXEJSEZVDGRQLN-LJQANCHMSA-N 1 0 316.489 3.514 20 10 DHCDRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172760284 1033352738 /nfs/dbraw/zinc/35/27/38/1033352738.db2.gz NFYKEWDNEOUJMT-GJZGRUSLSA-N 1 0 306.450 3.524 20 10 DHCDRO Oc1ccc(C[NH2+]C2CCC(Cc3ccccc3)CC2)cc1O ZINC001172820513 1033383778 /nfs/dbraw/zinc/38/37/78/1033383778.db2.gz VPCJJIPCLHGPBD-UHFFFAOYSA-N 1 0 311.425 3.989 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000877644624 1033395004 /nfs/dbraw/zinc/39/50/04/1033395004.db2.gz XFQGMLMYJHFYEB-QGZVFWFLSA-N 1 0 319.408 3.663 20 10 DHCDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C)cc2O)cc1F ZINC000877654933 1033398248 /nfs/dbraw/zinc/39/82/48/1033398248.db2.gz XSKFXLDLDWWONW-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000877673420 1033408368 /nfs/dbraw/zinc/40/83/68/1033408368.db2.gz GHSALYHKEFMVSA-UHFFFAOYSA-N 1 0 301.361 3.575 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000126645744 1033410206 /nfs/dbraw/zinc/41/02/06/1033410206.db2.gz QSGZDLLCMTWNNB-HNNXBMFYSA-N 1 0 310.441 3.928 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)c1cccc(OC)c1OC ZINC000877708344 1033417970 /nfs/dbraw/zinc/41/79/70/1033417970.db2.gz IZZFPPVNZCULQE-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000877711443 1033420726 /nfs/dbraw/zinc/42/07/26/1033420726.db2.gz JJNRXSFWVJTZLE-UHFFFAOYSA-N 1 0 314.832 3.537 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000126692006 1033432609 /nfs/dbraw/zinc/43/26/09/1033432609.db2.gz LPEAAIIRFJHFMD-HNNXBMFYSA-N 1 0 310.441 3.928 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2O)c(F)cc1OC ZINC000877755441 1033433039 /nfs/dbraw/zinc/43/30/39/1033433039.db2.gz BFHITYNZNWXFOB-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757977 1033434065 /nfs/dbraw/zinc/43/40/65/1033434065.db2.gz BHDMGZLYPPLGKY-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000877757957 1033435359 /nfs/dbraw/zinc/43/53/59/1033435359.db2.gz ANWQEZHYSMODAM-ZDUSSCGKSA-N 1 0 311.385 3.545 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1O ZINC000877757365 1033435477 /nfs/dbraw/zinc/43/54/77/1033435477.db2.gz UAPBCXOEYQIDPE-ZDUSSCGKSA-N 1 0 313.397 3.888 20 10 DHCDRO Cc1ccc(CN2CCC(C)([NH+]3CCCCC3)CC2)c(O)c1 ZINC000877794238 1033455202 /nfs/dbraw/zinc/45/52/02/1033455202.db2.gz HYKAFSYCDJNQRV-UHFFFAOYSA-N 1 0 302.462 3.541 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c(O)c1 ZINC000877812473 1033462083 /nfs/dbraw/zinc/46/20/83/1033462083.db2.gz ARLGEQOQSRBTOM-AWEZNQCLSA-N 1 0 318.442 3.545 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000877814407 1033466107 /nfs/dbraw/zinc/46/61/07/1033466107.db2.gz YKDNKEKNWJEWPY-CQSZACIVSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877823521 1033473872 /nfs/dbraw/zinc/47/38/72/1033473872.db2.gz MCKZFXXIVOMUBJ-RNCFNFMXSA-N 1 0 323.742 3.587 20 10 DHCDRO Oc1ccc([C@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)cc1O ZINC001173115282 1033548523 /nfs/dbraw/zinc/54/85/23/1033548523.db2.gz CLPJUEHYXFBSOI-GOSISDBHSA-N 1 0 319.445 3.614 20 10 DHCDRO Oc1cc(O)c(CC[NH2+]C2CCC3(CCCCC3)CC2)cc1O ZINC001173114638 1033548533 /nfs/dbraw/zinc/54/85/33/1033548533.db2.gz DATCPDIWVKVHOT-UHFFFAOYSA-N 1 0 319.445 3.829 20 10 DHCDRO CCC[N@H+](CC(=O)c1ccccc1F)Cc1ccccc1O ZINC000878151389 1033598152 /nfs/dbraw/zinc/59/81/52/1033598152.db2.gz QAWAXBUNERCPNF-UHFFFAOYSA-N 1 0 301.361 3.626 20 10 DHCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1O ZINC001173234470 1033608073 /nfs/dbraw/zinc/60/80/73/1033608073.db2.gz OYXZHTIFEKZVAQ-OLZOCXBDSA-N 1 0 300.358 3.582 20 10 DHCDRO CC[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001173270832 1033640817 /nfs/dbraw/zinc/64/08/17/1033640817.db2.gz CVEDZPZUSDAAQF-MAUKXSAKSA-N 1 0 302.462 3.525 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000878360367 1033672653 /nfs/dbraw/zinc/67/26/53/1033672653.db2.gz LZGACFYNVUXFRJ-QWHCGFSZSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)co2)c1 ZINC000878360560 1033673180 /nfs/dbraw/zinc/67/31/80/1033673180.db2.gz OOUSLERMVOMSME-SECBINFHSA-N 1 0 315.291 3.863 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000479433646 1033752409 /nfs/dbraw/zinc/75/24/09/1033752409.db2.gz AAOQKCLLVVGEAT-AYOQOUSVSA-N 1 0 310.441 3.534 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000826062919 1033780952 /nfs/dbraw/zinc/78/09/52/1033780952.db2.gz YMSRSYBRMBOMQV-SUMWQHHRSA-N 1 0 311.853 3.895 20 10 DHCDRO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234131 1033792094 /nfs/dbraw/zinc/79/20/94/1033792094.db2.gz HOMYHNISYGJMRO-CQSZACIVSA-N 1 0 324.424 3.821 20 10 DHCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001173634863 1033802889 /nfs/dbraw/zinc/80/28/89/1033802889.db2.gz HRBFCMWWECXZQV-ZOBUZTSGSA-N 1 0 318.461 3.525 20 10 DHCDRO CCCN(Cc1cnc2ccccc2n1)c1ccc(C[NH3+])cc1 ZINC000862347685 1033823074 /nfs/dbraw/zinc/82/30/74/1033823074.db2.gz LEMJBKRHELTDAH-UHFFFAOYSA-N 1 0 306.413 3.505 20 10 DHCDRO COC1CCN(c2ccc(CN3CCC=C(Cl)C3)cc2)CC1 ZINC000878790872 1033828103 /nfs/dbraw/zinc/82/81/03/1033828103.db2.gz XANDFXSPLIPLNE-UHFFFAOYSA-N 1 0 320.864 3.630 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862398128 1033839659 /nfs/dbraw/zinc/83/96/59/1033839659.db2.gz YIMHGWPKZKZHLQ-ZIAGYGMSSA-N 1 0 324.415 3.545 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482564 1033867105 /nfs/dbraw/zinc/86/71/05/1033867105.db2.gz JVOGUKHSVKBPFG-SFHVURJKSA-N 1 0 317.816 3.529 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1C ZINC000174239207 1033914330 /nfs/dbraw/zinc/91/43/30/1033914330.db2.gz RUQQBNAXBZSGCM-KRWDZBQOSA-N 1 0 314.429 3.529 20 10 DHCDRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648848 1034072052 /nfs/dbraw/zinc/07/20/52/1034072052.db2.gz CDIDJOUAXPLAHL-CQSZACIVSA-N 1 0 313.397 3.808 20 10 DHCDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879651835 1034073501 /nfs/dbraw/zinc/07/35/01/1034073501.db2.gz MASKCPPLTWUNEG-ZDUSSCGKSA-N 1 0 313.397 3.844 20 10 DHCDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653300 1034073866 /nfs/dbraw/zinc/07/38/66/1034073866.db2.gz NJVLNAPDCUKUNK-AWEZNQCLSA-N 1 0 312.413 3.805 20 10 DHCDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1C ZINC000879651108 1034074969 /nfs/dbraw/zinc/07/49/69/1034074969.db2.gz IQKVRDAJOALVAZ-LBPRGKRZSA-N 1 0 318.442 3.668 20 10 DHCDRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879653281 1034075290 /nfs/dbraw/zinc/07/52/90/1034075290.db2.gz MNOYSSSDRCQHSB-UONOGXRCSA-N 1 0 312.413 3.632 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccnn2C)ccc1N1CCCCC1 ZINC000879686542 1034087383 /nfs/dbraw/zinc/08/73/83/1034087383.db2.gz CUXLQLPDJYPMEM-MRXNPFEDSA-N 1 0 312.461 3.570 20 10 DHCDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000777308240 1034089568 /nfs/dbraw/zinc/08/95/68/1034089568.db2.gz BWXIYSYAIYQLIA-HHXXYDBFSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1Cl ZINC000826122058 1034119600 /nfs/dbraw/zinc/11/96/00/1034119600.db2.gz XJHPNZFQCOMCOT-QGZVFWFLSA-N 1 0 323.864 3.991 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120465 1034119662 /nfs/dbraw/zinc/11/96/62/1034119662.db2.gz DQFDUNOOXGACKG-DOTOQJQBSA-N 1 0 317.816 3.662 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1N1CCCCC1 ZINC000879787010 1034124332 /nfs/dbraw/zinc/12/43/32/1034124332.db2.gz CBIBBKUWMGLFMK-SFHVURJKSA-N 1 0 324.472 3.807 20 10 DHCDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545515 1034126180 /nfs/dbraw/zinc/12/61/80/1034126180.db2.gz UIRPWNFITUCRIZ-VYDXJSESSA-N 1 0 319.468 3.607 20 10 DHCDRO CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000863546178 1034126982 /nfs/dbraw/zinc/12/69/82/1034126982.db2.gz JSEJUUFWVGYULQ-SUHUHFCYSA-N 1 0 316.367 3.592 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)cc1Cl ZINC000826130576 1034153878 /nfs/dbraw/zinc/15/38/78/1034153878.db2.gz JSJBUCDIELKBDP-CYBMUJFWSA-N 1 0 311.878 3.977 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177928220 1034197452 /nfs/dbraw/zinc/19/74/52/1034197452.db2.gz UGJVPQOMISGLGF-ZBFHGGJFSA-N 1 0 306.425 3.646 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnn(CC)c2)cc1 ZINC000178227964 1034220706 /nfs/dbraw/zinc/22/07/06/1034220706.db2.gz DULIUXOPGNMSEM-OAHLLOKOSA-N 1 0 300.450 3.600 20 10 DHCDRO CC[N@H+](Cc1[nH]nc2c1cccc2C)Cc1ccc(N(C)C)cc1 ZINC001137150771 1034275227 /nfs/dbraw/zinc/27/52/27/1034275227.db2.gz VZYGJAUBWBJTBD-UHFFFAOYSA-N 1 0 322.456 3.959 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc1N(C)C ZINC000880320871 1034296764 /nfs/dbraw/zinc/29/67/64/1034296764.db2.gz IJLGOAFFLJTKOV-OAHLLOKOSA-N 1 0 301.459 3.507 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C(C)C ZINC000794647376 1034313171 /nfs/dbraw/zinc/31/31/71/1034313171.db2.gz OYXFFVMKRZQSAW-AUUYWEPGSA-N 1 0 303.446 3.823 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cc1OC ZINC000179555403 1034315111 /nfs/dbraw/zinc/31/51/11/1034315111.db2.gz KYZCNFCYKASZQD-MRXNPFEDSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](SC)C3)CC2)cc1 ZINC000128463405 1034347121 /nfs/dbraw/zinc/34/71/21/1034347121.db2.gz OCDNJYIGHVVZBR-CRAIPNDOSA-N 1 0 320.502 3.538 20 10 DHCDRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1O)O[C@@H](C)C2 ZINC000183406958 1034382596 /nfs/dbraw/zinc/38/25/96/1034382596.db2.gz BYPVVUVEMDBTGV-QWHCGFSZSA-N 1 0 313.397 3.575 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183415266 1034385044 /nfs/dbraw/zinc/38/50/44/1034385044.db2.gz CNZYAXPSDDGZKK-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccco1 ZINC000183468438 1034391260 /nfs/dbraw/zinc/39/12/60/1034391260.db2.gz RVECJWVRCCSWLP-HOCLYGCPSA-N 1 0 302.418 3.719 20 10 DHCDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183512939 1034392697 /nfs/dbraw/zinc/39/26/97/1034392697.db2.gz ZJBNOQFXDPKUKP-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183518102 1034396782 /nfs/dbraw/zinc/39/67/82/1034396782.db2.gz SOFOLKSRIJLRLL-LIRRHRJNSA-N 1 0 315.413 3.564 20 10 DHCDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183517023 1034397660 /nfs/dbraw/zinc/39/76/60/1034397660.db2.gz XPWIOXBGPSKREO-KUHUBIRLSA-N 1 0 315.413 3.564 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794790314 1034463850 /nfs/dbraw/zinc/46/38/50/1034463850.db2.gz BSISATTWIUVMJH-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccnc2)c1O ZINC000184745010 1034499256 /nfs/dbraw/zinc/49/92/56/1034499256.db2.gz MPNCOCLQVYEHEL-LLVKDONJSA-N 1 0 306.793 3.642 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000184846003 1034505251 /nfs/dbraw/zinc/50/52/51/1034505251.db2.gz KLWOQJWIARPEAX-GHMZBOCLSA-N 1 0 321.218 3.962 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Br)ccc1O ZINC000184882912 1034506791 /nfs/dbraw/zinc/50/67/91/1034506791.db2.gz ZLIJPWWNMNLUGQ-WDEREUQCSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884672 1034507773 /nfs/dbraw/zinc/50/77/73/1034507773.db2.gz OUYQHHNMBZNIIX-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794809711 1034509581 /nfs/dbraw/zinc/50/95/81/1034509581.db2.gz IROIVKPDQKXPAB-KMFMINBZSA-N 1 0 303.402 3.847 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794809713 1034510393 /nfs/dbraw/zinc/51/03/93/1034510393.db2.gz IROIVKPDQKXPAB-UKPHBRMFSA-N 1 0 303.402 3.847 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1O ZINC000794813445 1034519377 /nfs/dbraw/zinc/51/93/77/1034519377.db2.gz DSFREBNJLXUIQD-RBUKOAKNSA-N 1 0 310.441 3.928 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1O ZINC000794813440 1034521307 /nfs/dbraw/zinc/52/13/07/1034521307.db2.gz DSFREBNJLXUIQD-MOPGFXCFSA-N 1 0 310.441 3.928 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1O ZINC000185121519 1034530299 /nfs/dbraw/zinc/53/02/99/1034530299.db2.gz ZFAFLCFAJKBMOI-SNVBAGLBSA-N 1 0 309.768 3.528 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270610 1034538962 /nfs/dbraw/zinc/53/89/62/1034538962.db2.gz IFVBWZNAIJRGFY-GUYCJALGSA-N 1 0 313.397 3.965 20 10 DHCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185352346 1034542873 /nfs/dbraw/zinc/54/28/73/1034542873.db2.gz XJQLPNCVUYJQIN-AWEZNQCLSA-N 1 0 316.420 3.834 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C)cc1O ZINC000794829526 1034548943 /nfs/dbraw/zinc/54/89/43/1034548943.db2.gz TYEKQXRLDQAOJY-SJLPKXTDSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000185475319 1034550390 /nfs/dbraw/zinc/55/03/90/1034550390.db2.gz SUHKZQUPSSCLES-DMZKTXOQSA-N 1 0 319.470 3.743 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1O ZINC000185532946 1034553671 /nfs/dbraw/zinc/55/36/71/1034553671.db2.gz BESNNKIMONORGB-DYVFJYSZSA-N 1 0 303.377 3.696 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000120461562 1034566248 /nfs/dbraw/zinc/56/62/48/1034566248.db2.gz DAZLZBRDJPLKGF-FZKQIMNGSA-N 1 0 318.848 3.790 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OC)CCC(C)CC2)c1 ZINC000794833018 1034576141 /nfs/dbraw/zinc/57/61/41/1034576141.db2.gz JPAUCODVESTXPF-TXKKKEFDSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)c1 ZINC000185833744 1034577382 /nfs/dbraw/zinc/57/73/82/1034577382.db2.gz GWIAGGACTJYYGQ-TYILLQQXSA-N 1 0 315.413 3.564 20 10 DHCDRO COc1ccc(COCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185861349 1034579662 /nfs/dbraw/zinc/57/96/62/1034579662.db2.gz HSFHVMUZPAKGQG-HNNXBMFYSA-N 1 0 315.413 3.577 20 10 DHCDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000186137630 1034602150 /nfs/dbraw/zinc/60/21/50/1034602150.db2.gz IKFDPQRFGYUQEW-NSHDSACASA-N 1 0 308.422 3.813 20 10 DHCDRO C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186159727 1034603242 /nfs/dbraw/zinc/60/32/42/1034603242.db2.gz XGNBYHHTLXTETA-UGSOOPFHSA-N 1 0 315.388 3.696 20 10 DHCDRO C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186159743 1034603422 /nfs/dbraw/zinc/60/34/22/1034603422.db2.gz XGNBYHHTLXTETA-ACJLOTCBSA-N 1 0 315.388 3.696 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000186196366 1034606353 /nfs/dbraw/zinc/60/63/53/1034606353.db2.gz RQWYNWYUOFDARJ-PIGZYNQJSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000186196383 1034607459 /nfs/dbraw/zinc/60/74/59/1034607459.db2.gz RQWYNWYUOFDARJ-APPDUMDISA-N 1 0 323.795 3.877 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)cc1F ZINC000865437427 1034646080 /nfs/dbraw/zinc/64/60/80/1034646080.db2.gz LMFMZKMFJPLMKU-UHFFFAOYSA-N 1 0 309.335 3.514 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187768593 1034731087 /nfs/dbraw/zinc/73/10/87/1034731087.db2.gz OEYXPBXTCKUAIC-NSHDSACASA-N 1 0 312.404 3.584 20 10 DHCDRO Cc1cc(Nc2cc(Br)c(C)cc2O)cc(C)[nH+]1 ZINC001176056688 1035198184 /nfs/dbraw/zinc/19/81/84/1035198184.db2.gz BIJHQIHKFKFTMZ-UHFFFAOYSA-N 1 0 307.191 3.640 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001177008671 1035342629 /nfs/dbraw/zinc/34/26/29/1035342629.db2.gz NCDJPTRCRBJSNP-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1cccc(OCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001177111737 1035350350 /nfs/dbraw/zinc/35/03/50/1035350350.db2.gz AAZZKGRUDMNWRA-UHFFFAOYSA-N 1 0 320.383 3.508 20 10 DHCDRO CCO[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001177967860 1035400477 /nfs/dbraw/zinc/40/04/77/1035400477.db2.gz REEFJFDMFYHNMK-IBGZPJMESA-N 1 0 322.468 3.967 20 10 DHCDRO Cc1ccsc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001178321503 1035423212 /nfs/dbraw/zinc/42/32/12/1035423212.db2.gz FWTDLJOCDPLKMN-SNAWJCMRSA-N 1 0 300.471 3.968 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1F ZINC001178558108 1035437160 /nfs/dbraw/zinc/43/71/60/1035437160.db2.gz YLRKYJLPGGJHHR-WMZOPIPTSA-N 1 0 308.441 3.719 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773755437 1035438088 /nfs/dbraw/zinc/43/80/88/1035438088.db2.gz JITFUSTVMROHCY-IBGZPJMESA-N 1 0 304.478 3.924 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)cc1 ZINC001178774847 1035449131 /nfs/dbraw/zinc/44/91/31/1035449131.db2.gz MRDOLCAZJYPSOU-UXHICEINSA-N 1 0 320.521 3.912 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CC)CCc2nccs2)cc1 ZINC000773803275 1035467857 /nfs/dbraw/zinc/46/78/57/1035467857.db2.gz XTRATDBIVQTXDW-UHFFFAOYSA-N 1 0 303.475 3.664 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1 ZINC001179364729 1035475972 /nfs/dbraw/zinc/47/59/72/1035475972.db2.gz AUIWLFDRQRSXAF-UCFODXPJSA-N 1 0 316.489 3.951 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1Cn1cccn1 ZINC001179602591 1035485190 /nfs/dbraw/zinc/48/51/90/1035485190.db2.gz BSFWOYOHBZCDEG-HNNXBMFYSA-N 1 0 315.461 3.712 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000773822823 1035494603 /nfs/dbraw/zinc/49/46/03/1035494603.db2.gz SKTAHQHTJRAREU-GOSISDBHSA-N 1 0 312.461 3.820 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000773825194 1035498563 /nfs/dbraw/zinc/49/85/63/1035498563.db2.gz WVZXDAQJZAVDIN-RTBURBONSA-N 1 0 316.489 3.781 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000773825173 1035498881 /nfs/dbraw/zinc/49/88/81/1035498881.db2.gz WVZXDAQJZAVDIN-RBUKOAKNSA-N 1 0 316.489 3.781 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1C ZINC000775562574 1035559303 /nfs/dbraw/zinc/55/93/03/1035559303.db2.gz PBBBWTCAKAUMIQ-OAHLLOKOSA-N 1 0 323.440 3.789 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775585114 1035596533 /nfs/dbraw/zinc/59/65/33/1035596533.db2.gz DBVNLLTWBOFCME-SNRMKQJTSA-N 1 0 304.478 3.997 20 10 DHCDRO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000905742426 1035638883 /nfs/dbraw/zinc/63/88/83/1035638883.db2.gz QIQQWOIEVUDUQY-SFHVURJKSA-N 1 0 307.397 3.616 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC001180926526 1035788278 /nfs/dbraw/zinc/78/82/78/1035788278.db2.gz HTSJRJPLBXHWKX-KRWDZBQOSA-N 1 0 315.461 3.779 20 10 DHCDRO CCc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC001182161547 1036112466 /nfs/dbraw/zinc/11/24/66/1036112466.db2.gz QKBMBPVOWMFOOP-LJQANCHMSA-N 1 0 322.452 3.592 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2ccc(Cl)cc2O)c(F)c1 ZINC001182335705 1036247606 /nfs/dbraw/zinc/24/76/06/1036247606.db2.gz UUIONWSBEHZPDV-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(OC)ccc1O ZINC000775654535 1036248628 /nfs/dbraw/zinc/24/86/28/1036248628.db2.gz LJIIRWFYGAMPEU-HNNXBMFYSA-N 1 0 303.427 3.972 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000774377445 1036305553 /nfs/dbraw/zinc/30/55/53/1036305553.db2.gz HXVXBPSOXYTEPZ-UZLBHIALSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](CCc2nccs2)C(C)C)cc1C ZINC000151565219 1036340229 /nfs/dbraw/zinc/34/02/29/1036340229.db2.gz HCWJQWOABKOVSB-UHFFFAOYSA-N 1 0 304.459 3.919 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1O ZINC000775707528 1036503048 /nfs/dbraw/zinc/50/30/48/1036503048.db2.gz VUAZHQVACHSQLG-LJQANCHMSA-N 1 0 313.441 3.720 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000775713912 1036524137 /nfs/dbraw/zinc/52/41/37/1036524137.db2.gz LMHZKZBZGWGMHR-ZFWWWQNUSA-N 1 0 315.388 3.918 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000775713733 1036526191 /nfs/dbraw/zinc/52/61/91/1036526191.db2.gz MBZLWCMWSHCZSV-LPHOPBHVSA-N 1 0 311.425 3.971 20 10 DHCDRO Cc1cc(CC[NH2+]CCC[C@@H]2CCO2)c(C)n1-c1ccccc1 ZINC001183179831 1036533913 /nfs/dbraw/zinc/53/39/13/1036533913.db2.gz IZYAIAVZDAZXSK-HXUWFJFHSA-N 1 0 312.457 3.795 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000775717000 1036537094 /nfs/dbraw/zinc/53/70/94/1036537094.db2.gz LBJURYQRKNPXIJ-KRWDZBQOSA-N 1 0 309.837 3.747 20 10 DHCDRO Oc1cc(Br)ccc1C[NH+]1CCC(CCF)CC1 ZINC001183249343 1036556624 /nfs/dbraw/zinc/55/66/24/1036556624.db2.gz YNPHGOLFHZGUBI-UHFFFAOYSA-N 1 0 316.214 3.726 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC001183270355 1036562120 /nfs/dbraw/zinc/56/21/20/1036562120.db2.gz TYBRECBAKGAXSF-IBGZPJMESA-N 1 0 311.473 3.586 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1 ZINC000775724569 1036566447 /nfs/dbraw/zinc/56/64/47/1036566447.db2.gz MBWNZPSZVFSXEB-DOTOQJQBSA-N 1 0 311.425 3.854 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC001183696090 1036651294 /nfs/dbraw/zinc/65/12/94/1036651294.db2.gz JEXVKVCKJSUQTD-INIZCTEOSA-N 1 0 318.505 3.762 20 10 DHCDRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001197003492 1036667259 /nfs/dbraw/zinc/66/72/59/1036667259.db2.gz IMYNVYMQWHRPCT-LBPRGKRZSA-N 1 0 318.804 3.643 20 10 DHCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(O)c(O)c1 ZINC001203878559 1036782174 /nfs/dbraw/zinc/78/21/74/1036782174.db2.gz CFDNWWMXERWTCD-UHFFFAOYSA-N 1 0 311.303 3.749 20 10 DHCDRO CCc1cccc(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1O ZINC001184238468 1036785162 /nfs/dbraw/zinc/78/51/62/1036785162.db2.gz CPZPKTFAHLSPSY-UHFFFAOYSA-N 1 0 321.424 3.977 20 10 DHCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000193527865 1036894338 /nfs/dbraw/zinc/89/43/38/1036894338.db2.gz MPMNWFQQEZNPJY-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO Cc1cc(CC[NH2+]C[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000775823783 1036964731 /nfs/dbraw/zinc/96/47/31/1036964731.db2.gz WBBUDFXROAFXHN-SFHVURJKSA-N 1 0 312.457 3.653 20 10 DHCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000774831762 1037043518 /nfs/dbraw/zinc/04/35/18/1037043518.db2.gz IZIBRKYLKIZKGH-MJGOQNOKSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(O)c(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC001199329354 1037245407 /nfs/dbraw/zinc/24/54/07/1037245407.db2.gz RBZRGRULQBZLRN-HUUCEWRRSA-N 1 0 324.896 3.812 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000776014248 1037300082 /nfs/dbraw/zinc/30/00/82/1037300082.db2.gz QQNQWGWHDSWUSP-GWCFXTLKSA-N 1 0 303.324 3.564 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000776012124 1037304625 /nfs/dbraw/zinc/30/46/25/1037304625.db2.gz CZCFQLNVGUGONW-BXUZGUMPSA-N 1 0 317.351 3.954 20 10 DHCDRO CCO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000775028264 1037434588 /nfs/dbraw/zinc/43/45/88/1037434588.db2.gz OSTLASLANHJSEU-IBGZPJMESA-N 1 0 316.420 3.759 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(Cl)o2)c1O ZINC000698132898 1037584111 /nfs/dbraw/zinc/58/41/11/1037584111.db2.gz SSWCLSGJNSCBGU-UHFFFAOYSA-N 1 0 302.157 3.590 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001203658387 1037617367 /nfs/dbraw/zinc/61/73/67/1037617367.db2.gz SYEOZRHGGVURBK-CYBMUJFWSA-N 1 0 302.805 3.820 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C12CCCCC2 ZINC000776178023 1037652073 /nfs/dbraw/zinc/65/20/73/1037652073.db2.gz YKBKVLFRIQNTPJ-DLBZAZTESA-N 1 0 319.445 3.618 20 10 DHCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001201418941 1037658843 /nfs/dbraw/zinc/65/88/43/1037658843.db2.gz TWWFNNXCBAOGKJ-OAHLLOKOSA-N 1 0 310.441 3.901 20 10 DHCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(Cl)c1 ZINC000775130016 1037666143 /nfs/dbraw/zinc/66/61/43/1037666143.db2.gz KLZJTBPTCFSJOG-GFCCVEGCSA-N 1 0 318.804 3.643 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776167620 1037668289 /nfs/dbraw/zinc/66/82/89/1037668289.db2.gz NEQYLEWBAUCSSY-MSOLQXFVSA-N 1 0 304.478 3.590 20 10 DHCDRO CCCN(Cc1nccn1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000775139714 1037699092 /nfs/dbraw/zinc/69/90/92/1037699092.db2.gz FHKGHTUFIRYNKX-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@@H]1OC ZINC001201617257 1037813566 /nfs/dbraw/zinc/81/35/66/1037813566.db2.gz HBXRLIYDKQMPRB-SJORKVTESA-N 1 0 308.441 3.575 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000763399080 1037818084 /nfs/dbraw/zinc/81/80/84/1037818084.db2.gz RREQMDIXXBQUKA-KXBFYZLASA-N 1 0 304.478 3.735 20 10 DHCDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)cc1C ZINC000776219508 1037927325 /nfs/dbraw/zinc/92/73/25/1037927325.db2.gz ORXYIIDHEBFOEC-UHFFFAOYSA-N 1 0 310.397 3.786 20 10 DHCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000775206180 1038011323 /nfs/dbraw/zinc/01/13/23/1038011323.db2.gz VYDDZPVNGQOKHH-SFHVURJKSA-N 1 0 307.434 3.572 20 10 DHCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cc(C)c(C)cc2O)c1 ZINC000776253266 1038074549 /nfs/dbraw/zinc/07/45/49/1038074549.db2.gz LSCSOEOIBWOIPP-UHFFFAOYSA-N 1 0 308.385 3.510 20 10 DHCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000917089734 1038186587 /nfs/dbraw/zinc/18/65/87/1038186587.db2.gz JFBAAWZOSLFKOV-QGZVFWFLSA-N 1 0 310.441 3.969 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000164488684 1038202907 /nfs/dbraw/zinc/20/29/07/1038202907.db2.gz LMCVEGBZAJMZBO-INIZCTEOSA-N 1 0 303.427 3.644 20 10 DHCDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000775305494 1038208465 /nfs/dbraw/zinc/20/84/65/1038208465.db2.gz KGLURLFJOQRNAR-XLIONFOSSA-N 1 0 314.473 3.605 20 10 DHCDRO CCC(CC)n1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000775370333 1038286355 /nfs/dbraw/zinc/28/63/55/1038286355.db2.gz FEMSKSGSHLTRDD-CYBMUJFWSA-N 1 0 317.433 3.809 20 10 DHCDRO COCCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000775373226 1038302250 /nfs/dbraw/zinc/30/22/50/1038302250.db2.gz BAMRMHNGFDAEPX-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCC[C@H]1O ZINC001190436886 1038316361 /nfs/dbraw/zinc/31/63/61/1038316361.db2.gz NIQOAEUWZRVWCP-IEBWSBKVSA-N 1 0 304.478 3.514 20 10 DHCDRO CC[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccccc1O ZINC000775414917 1038394503 /nfs/dbraw/zinc/39/45/03/1038394503.db2.gz LKSDIQWOHRJVFR-SMDDNHRTSA-N 1 0 306.431 3.797 20 10 DHCDRO C[N@H+](CCc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000157138339 1038514193 /nfs/dbraw/zinc/51/41/93/1038514193.db2.gz QZSQYDJNTGTKCZ-UHFFFAOYSA-N 1 0 320.458 3.526 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510058 1038593383 /nfs/dbraw/zinc/59/33/83/1038593383.db2.gz UTZRCFOAFWITJE-UKRRQHHQSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000775503671 1038597953 /nfs/dbraw/zinc/59/79/53/1038597953.db2.gz LZIQBYXFPHVROO-HOCLYGCPSA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775523007 1038630844 /nfs/dbraw/zinc/63/08/44/1038630844.db2.gz DBQRYBAHAHSNBL-HOTGVXAUSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000775523737 1038634655 /nfs/dbraw/zinc/63/46/55/1038634655.db2.gz NACRORANAZKITM-OAHLLOKOSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775524378 1038641473 /nfs/dbraw/zinc/64/14/73/1038641473.db2.gz OPXLMTOGXPHARU-CVEARBPZSA-N 1 0 323.795 3.959 20 10 DHCDRO CCCCn1cc(C[NH2+][C@@H](CC)c2ccccc2O)c(C)n1 ZINC000775526218 1038644148 /nfs/dbraw/zinc/64/41/48/1038644148.db2.gz OUIHXRBFFCQIPQ-KRWDZBQOSA-N 1 0 301.434 3.938 20 10 DHCDRO CCCCn1cc(C[NH2+][C@H](CC)c2ccccc2O)c(C)n1 ZINC000775526222 1038644566 /nfs/dbraw/zinc/64/45/66/1038644566.db2.gz OUIHXRBFFCQIPQ-QGZVFWFLSA-N 1 0 301.434 3.938 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000167014426 1039055400 /nfs/dbraw/zinc/05/54/00/1039055400.db2.gz OBTHTJIUFPUZKH-LPHOPBHVSA-N 1 0 302.462 3.897 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000230707412 1039959350 /nfs/dbraw/zinc/95/93/50/1039959350.db2.gz MGYHQQGCIYHISN-UHFFFAOYSA-N 1 0 310.235 3.681 20 10 DHCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000174556288 1040661646 /nfs/dbraw/zinc/66/16/46/1040661646.db2.gz WYYBXFQCSODEEJ-MRXNPFEDSA-N 1 0 304.478 3.970 20 10 DHCDRO C[C@@H](Cc1ccsc1)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223830 1040793754 /nfs/dbraw/zinc/79/37/54/1040793754.db2.gz SBSRRRCLAAAVMF-HNNXBMFYSA-N 1 0 318.486 3.756 20 10 DHCDRO COc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1C ZINC000761226402 1040824873 /nfs/dbraw/zinc/82/48/73/1040824873.db2.gz QXBVHSCRWSSIPT-UHFFFAOYSA-N 1 0 321.424 3.978 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nc(C)cs2)c1O ZINC000228673042 1041051082 /nfs/dbraw/zinc/05/10/82/1041051082.db2.gz JDKMXOBPCJJSIQ-SECBINFHSA-N 1 0 312.822 3.670 20 10 DHCDRO CCCN(CC[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000228799135 1041192635 /nfs/dbraw/zinc/19/26/35/1041192635.db2.gz CNQVNKNNZBZQJY-AWEZNQCLSA-N 1 0 322.449 3.690 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1O ZINC000236952238 202090081 /nfs/dbraw/zinc/09/00/81/202090081.db2.gz SUEDFCJQKQHJDB-UHFFFAOYSA-N 1 0 323.339 3.682 20 10 DHCDRO COc1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000091901777 193124562 /nfs/dbraw/zinc/12/45/62/193124562.db2.gz CLIJMSQYPSVUML-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000092223780 193176207 /nfs/dbraw/zinc/17/62/07/193176207.db2.gz PYFDGRWIGYGCLD-KRWDZBQOSA-N 1 0 316.376 3.712 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1O ZINC000093275461 193224079 /nfs/dbraw/zinc/22/40/79/193224079.db2.gz HLMUOKKSPWRYDT-LLVKDONJSA-N 1 0 306.431 3.667 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(O)c1C ZINC000273364238 130113002 /nfs/dbraw/zinc/11/30/02/130113002.db2.gz BADIDELUJKIMAX-WMZOPIPTSA-N 1 0 313.441 3.826 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273387960 130116233 /nfs/dbraw/zinc/11/62/33/130116233.db2.gz KANIFIIYRWORIB-INIZCTEOSA-N 1 0 301.434 3.563 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1C ZINC000273423067 130119374 /nfs/dbraw/zinc/11/93/74/130119374.db2.gz SNFDHOYVPKKCIM-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273503931 130129737 /nfs/dbraw/zinc/12/97/37/130129737.db2.gz QSDVWZPXCLZPMF-FBJOKTGGSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273606719 130143143 /nfs/dbraw/zinc/14/31/43/130143143.db2.gz UIDUZWWGFAHUNI-IQUTYRLHSA-N 1 0 317.404 3.921 20 10 DHCDRO C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273612095 130143280 /nfs/dbraw/zinc/14/32/80/130143280.db2.gz WFPAFVUUBUHIEV-JTQLQIEISA-N 1 0 305.249 3.691 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000284195572 131057854 /nfs/dbraw/zinc/05/78/54/131057854.db2.gz RWLOFQOGFPJIHT-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1C ZINC000284228857 131061118 /nfs/dbraw/zinc/06/11/18/131061118.db2.gz DGZROCLSYSIRLX-GFCCVEGCSA-N 1 0 322.355 3.856 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284343494 131072705 /nfs/dbraw/zinc/07/27/05/131072705.db2.gz MXCZKMIRLHEBDM-INIZCTEOSA-N 1 0 312.461 3.570 20 10 DHCDRO CCCN(Cc1cnc(C(C)(C)C)nc1)c1ccc(C[NH3+])cc1 ZINC000284476494 131084512 /nfs/dbraw/zinc/08/45/12/131084512.db2.gz WDPSSIQFBZXCLK-UHFFFAOYSA-N 1 0 312.461 3.649 20 10 DHCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000285651086 131190043 /nfs/dbraw/zinc/19/00/43/131190043.db2.gz YLWSJGHCVTUNBK-YJBOKZPZSA-N 1 0 311.425 3.821 20 10 DHCDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000286375051 131233311 /nfs/dbraw/zinc/23/33/11/131233311.db2.gz AINQRGYTRMQQKC-CYBMUJFWSA-N 1 0 314.385 3.730 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000286939541 131256250 /nfs/dbraw/zinc/25/62/50/131256250.db2.gz GTXPJZGRMKCMHK-BDJLRTHQSA-N 1 0 323.795 3.959 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287081574 131263321 /nfs/dbraw/zinc/26/33/21/131263321.db2.gz ORPICRFPZIMPFH-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000287641207 131292389 /nfs/dbraw/zinc/29/23/89/131292389.db2.gz UQBVSLBETXUULX-ZQIUZPCESA-N 1 0 303.446 3.594 20 10 DHCDRO COc1cc(Cl)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289331202 131375377 /nfs/dbraw/zinc/37/53/77/131375377.db2.gz GVSCGIWYUPWFQR-CQSZACIVSA-N 1 0 321.808 3.505 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(-n2cccn2)c1 ZINC000297581168 132024408 /nfs/dbraw/zinc/02/44/08/132024408.db2.gz HDJVVQYYAQPUBP-RDTXWAMCSA-N 1 0 319.408 3.916 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000297861673 132037738 /nfs/dbraw/zinc/03/77/38/132037738.db2.gz UEHBYKVZNVMTDU-GJZGRUSLSA-N 1 0 301.386 3.512 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000074336385 331671004 /nfs/dbraw/zinc/67/10/04/331671004.db2.gz QRHLRRDFLABROL-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1 ZINC000185262205 333206436 /nfs/dbraw/zinc/20/64/36/333206436.db2.gz YDILKCLEWQCHKJ-AWEZNQCLSA-N 1 0 312.413 3.735 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000185405064 333208374 /nfs/dbraw/zinc/20/83/74/333208374.db2.gz SGAVBXPXZOUWII-KBPBESRZSA-N 1 0 313.397 3.618 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(O)c1 ZINC000184999367 333368535 /nfs/dbraw/zinc/36/85/35/333368535.db2.gz WUOYNUYLJGLJRT-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000320249150 333462487 /nfs/dbraw/zinc/46/24/87/333462487.db2.gz PKSJJUDQIZPMFW-AWEZNQCLSA-N 1 0 307.397 3.942 20 10 DHCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296450616 335142222 /nfs/dbraw/zinc/14/22/22/335142222.db2.gz MSTYYNKQLLRSQC-IAGOWNOFSA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000296335855 335143561 /nfs/dbraw/zinc/14/35/61/335143561.db2.gz GQEXIQLAOMGNMC-CRAIPNDOSA-N 1 0 317.816 3.530 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc2ccccc2c1O ZINC000278983500 334104651 /nfs/dbraw/zinc/10/46/51/334104651.db2.gz PCWJDWKURIMRIA-LSDHHAIUSA-N 1 0 321.424 3.655 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1nc3c(s1)CCCC3)CC2 ZINC000296830215 334237032 /nfs/dbraw/zinc/23/70/32/334237032.db2.gz MNCXNWJKGBDAJB-CQSZACIVSA-N 1 0 314.454 3.547 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1C ZINC000366935900 335394394 /nfs/dbraw/zinc/39/43/94/335394394.db2.gz ULGWAAWNLZYAOH-UHFFFAOYSA-N 1 0 314.404 3.865 20 10 DHCDRO Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C(C)C)n1 ZINC000301115908 336290691 /nfs/dbraw/zinc/29/06/91/336290691.db2.gz OPNKLCPKGPHKOW-UHFFFAOYSA-N 1 0 302.397 3.726 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367297942 336612550 /nfs/dbraw/zinc/61/25/50/336612550.db2.gz AQAHUAOZXVOSIA-CQSZACIVSA-N 1 0 312.413 3.736 20 10 DHCDRO Cc1cccnc1C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000368262301 336841392 /nfs/dbraw/zinc/84/13/92/336841392.db2.gz WXFWXBFEGAPRAV-UHFFFAOYSA-N 1 0 302.805 3.570 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000371868833 336915238 /nfs/dbraw/zinc/91/52/38/336915238.db2.gz CERMXNUEFCEGAB-GUYCJALGSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336763 336928536 /nfs/dbraw/zinc/92/85/36/336928536.db2.gz JNXBPSBBSNEQSF-UONOGXRCSA-N 1 0 305.324 3.845 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000372603340 336935948 /nfs/dbraw/zinc/93/59/48/336935948.db2.gz ZZKAZLGJAOFRQW-QGZVFWFLSA-N 1 0 311.429 3.821 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c(O)c1C ZINC000375234183 337006188 /nfs/dbraw/zinc/00/61/88/337006188.db2.gz PMWDVVBHEKGSQQ-LSDHHAIUSA-N 1 0 324.424 3.786 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255468 337006719 /nfs/dbraw/zinc/00/67/19/337006719.db2.gz GNAJJCICETUFCD-WBVHZDCISA-N 1 0 313.445 3.532 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC000122968455 337031194 /nfs/dbraw/zinc/03/11/94/337031194.db2.gz RMMASOQORLHJIB-UHFFFAOYSA-N 1 0 316.470 3.558 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1cc(Cl)ccc1O ZINC000376952908 337043980 /nfs/dbraw/zinc/04/39/80/337043980.db2.gz BVKDNUXEFZQFQA-PRXAMGSTSA-N 1 0 317.816 3.917 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cccc(Cl)c32)c1 ZINC000377883746 337063250 /nfs/dbraw/zinc/06/32/50/337063250.db2.gz KVWYFUPPTQLBCI-IINYFYTJSA-N 1 0 319.788 3.839 20 10 DHCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000378631566 337077049 /nfs/dbraw/zinc/07/70/49/337077049.db2.gz JKOCPMOGUKXISX-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccccc1O)CCC2 ZINC000179582101 337170270 /nfs/dbraw/zinc/17/02/70/337170270.db2.gz UDRAOQMHYITYAP-CQSZACIVSA-N 1 0 302.443 3.921 20 10 DHCDRO Cc1csc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000180028420 337173217 /nfs/dbraw/zinc/17/32/17/337173217.db2.gz WKWHAYKDHONHBM-UHFFFAOYSA-N 1 0 306.406 3.676 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684565 337250116 /nfs/dbraw/zinc/25/01/16/337250116.db2.gz JMLZGGXNUALAHV-ZFWWWQNUSA-N 1 0 314.433 3.601 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCCC(F)(F)F ZINC000231672476 337277888 /nfs/dbraw/zinc/27/78/88/337277888.db2.gz VULGZXBXIZXZCI-UHFFFAOYSA-N 1 0 312.129 3.587 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(F)ccc1O ZINC000248517768 337564263 /nfs/dbraw/zinc/56/42/63/337564263.db2.gz PLYMYSPTHOBIDY-OUENDJJVSA-N 1 0 305.393 3.530 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527872991 337770781 /nfs/dbraw/zinc/77/07/81/337770781.db2.gz ZOMPDIMOWXVMTC-MRXNPFEDSA-N 1 0 321.779 3.970 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1C ZINC000527967270 337781020 /nfs/dbraw/zinc/78/10/20/337781020.db2.gz XOFBWTPPHLTVBT-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000462904000 339097015 /nfs/dbraw/zinc/09/70/15/339097015.db2.gz FXDGJHIITZZIFA-UHFFFAOYSA-N 1 0 312.388 3.924 20 10 DHCDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475196808 339441118 /nfs/dbraw/zinc/44/11/18/339441118.db2.gz RKECMAWZEAVKHQ-DOTOQJQBSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000475197519 339441152 /nfs/dbraw/zinc/44/11/52/339441152.db2.gz MLADSENPRHETIH-UHFFFAOYSA-N 1 0 318.424 3.733 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000475198525 339441241 /nfs/dbraw/zinc/44/12/41/339441241.db2.gz QNOQLHLIGVVLRH-UHFFFAOYSA-N 1 0 324.472 3.808 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000273303807 341634879 /nfs/dbraw/zinc/63/48/79/341634879.db2.gz CEMSWKBNCDNJKD-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000130522692 521151083 /nfs/dbraw/zinc/15/10/83/521151083.db2.gz HPNQCJZOFCQCJN-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)CCC2 ZINC000160542777 522481507 /nfs/dbraw/zinc/48/15/07/522481507.db2.gz ZHHMIDSKXHLIJQ-OAHLLOKOSA-N 1 0 315.486 3.939 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O ZINC000156981252 522885911 /nfs/dbraw/zinc/88/59/11/522885911.db2.gz IHVRDAVLBRFYSN-CQSZACIVSA-N 1 0 322.355 3.672 20 10 DHCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)ccc1F ZINC000154417988 522908366 /nfs/dbraw/zinc/90/83/66/522908366.db2.gz VMLFSYNHQATVEV-CYBMUJFWSA-N 1 0 314.404 3.677 20 10 DHCDRO COCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000269165722 523062221 /nfs/dbraw/zinc/06/22/21/523062221.db2.gz WQLDADVNDNUQCO-UHFFFAOYSA-N 1 0 311.425 3.966 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000182405166 524761783 /nfs/dbraw/zinc/76/17/83/524761783.db2.gz ULJRGSMNOSJDAM-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccccc1O ZINC000183717076 525528111 /nfs/dbraw/zinc/52/81/11/525528111.db2.gz AMXBNTAQUIFGOP-CYBMUJFWSA-N 1 0 300.402 3.815 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163822776 525530575 /nfs/dbraw/zinc/53/05/75/525530575.db2.gz JGNUWIKAZLLLIN-HOTGVXAUSA-N 1 0 312.461 3.822 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1O ZINC000160626628 525915172 /nfs/dbraw/zinc/91/51/72/525915172.db2.gz JFLWCQLVGPDIST-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365664656 526347614 /nfs/dbraw/zinc/34/76/14/526347614.db2.gz WJJFBCCQXBZUJX-CVEARBPZSA-N 1 0 307.821 3.579 20 10 DHCDRO Cc1nccn1CCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000162840407 527410888 /nfs/dbraw/zinc/41/08/88/527410888.db2.gz CRUIGJZZZZDWRD-UHFFFAOYSA-N 1 0 309.413 3.572 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCOC)c2ccco2)cc1 ZINC000272596553 535686249 /nfs/dbraw/zinc/68/62/49/535686249.db2.gz RRVXQILXHHDVOV-SFHVURJKSA-N 1 0 316.445 3.993 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccccc1O ZINC000287616546 535806267 /nfs/dbraw/zinc/80/62/67/535806267.db2.gz SSLNPCYFOIXKNN-MRXNPFEDSA-N 1 0 314.385 3.811 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000285890028 535895214 /nfs/dbraw/zinc/89/52/14/535895214.db2.gz CFFYPFZKJCWROM-KRWDZBQOSA-N 1 0 306.425 3.589 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286136921 535911869 /nfs/dbraw/zinc/91/18/69/535911869.db2.gz OUIMVYOLLVCSRO-PBHICJAKSA-N 1 0 308.441 3.692 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)ccc21 ZINC000297725595 536396631 /nfs/dbraw/zinc/39/66/31/536396631.db2.gz NJGFNZHLJDWVSE-QGZVFWFLSA-N 1 0 308.425 3.552 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccccc1O ZINC000155240466 1013319513 /nfs/dbraw/zinc/31/95/13/1013319513.db2.gz YIYWSZIXFYKJHM-QGZVFWFLSA-N 1 0 313.445 3.874 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000894431162 1013359461 /nfs/dbraw/zinc/35/94/61/1013359461.db2.gz NQJONHXJOVQTBP-YPMHNXCESA-N 1 0 317.351 3.872 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982267 1013477519 /nfs/dbraw/zinc/47/75/19/1013477519.db2.gz BGEGIRPZRVAIFY-FPAYPSAMSA-N 1 0 315.457 3.809 20 10 DHCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894783889 1013489580 /nfs/dbraw/zinc/48/95/80/1013489580.db2.gz ZKFFOJXFRFNEBF-MRXNPFEDSA-N 1 0 300.402 3.687 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925081543 1013502895 /nfs/dbraw/zinc/50/28/95/1013502895.db2.gz RGGIBKUUSLHPTJ-QGZVFWFLSA-N 1 0 315.848 3.887 20 10 DHCDRO Clc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000069672805 1013786596 /nfs/dbraw/zinc/78/65/96/1013786596.db2.gz SGRZDMDAHJYGPG-UHFFFAOYSA-N 1 0 322.861 3.528 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1F ZINC000895147431 1014611362 /nfs/dbraw/zinc/61/13/62/1014611362.db2.gz RQRCWAWMHJTNIC-HNNXBMFYSA-N 1 0 319.376 3.789 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000296031296 1014665100 /nfs/dbraw/zinc/66/51/00/1014665100.db2.gz QDIVGKCGGAALBC-GFCCVEGCSA-N 1 0 324.243 3.993 20 10 DHCDRO CCOC(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)OCC ZINC000276275390 1014915182 /nfs/dbraw/zinc/91/51/82/1014915182.db2.gz WMKJEJYDNTXEGD-UHFFFAOYSA-N 1 0 320.477 3.556 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1F ZINC000076766883 1015138478 /nfs/dbraw/zinc/13/84/78/1015138478.db2.gz MLOIYSOCOSBTIP-UHFFFAOYSA-N 1 0 302.368 3.810 20 10 DHCDRO CCSc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000895526442 1015187716 /nfs/dbraw/zinc/18/77/16/1015187716.db2.gz MELVEPOOTVBBSE-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895581149 1015217643 /nfs/dbraw/zinc/21/76/43/1015217643.db2.gz LUNITFVKGBREQU-VIFPVBQESA-N 1 0 312.797 3.631 20 10 DHCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000895658762 1015245619 /nfs/dbraw/zinc/24/56/19/1015245619.db2.gz OCCMAEFWYFFZPK-MRXNPFEDSA-N 1 0 305.805 3.647 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895690309 1015257723 /nfs/dbraw/zinc/25/77/23/1015257723.db2.gz FOBCTDGNMPPPDS-SJLPKXTDSA-N 1 0 315.388 3.824 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425447 1015480711 /nfs/dbraw/zinc/48/07/11/1015480711.db2.gz AATRWPWNGHSPBD-OALUTQOASA-N 1 0 322.452 3.806 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896224882 1015510631 /nfs/dbraw/zinc/51/06/31/1015510631.db2.gz PUGUYICSPHQWOD-ZDUSSCGKSA-N 1 0 303.299 3.567 20 10 DHCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227089 1015513203 /nfs/dbraw/zinc/51/32/03/1015513203.db2.gz JWQIUHORBCZFNE-GFCCVEGCSA-N 1 0 323.717 3.912 20 10 DHCDRO Cn1ccc(C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000896496795 1015608465 /nfs/dbraw/zinc/60/84/65/1015608465.db2.gz ZNAXVIMGYAINTH-UHFFFAOYSA-N 1 0 321.424 3.659 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1F ZINC000280969116 1015811879 /nfs/dbraw/zinc/81/18/79/1015811879.db2.gz VIKPSKMGYMMXSG-LJQANCHMSA-N 1 0 313.420 3.918 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000158087489 1016323445 /nfs/dbraw/zinc/32/34/45/1016323445.db2.gz KRVCDDOOMYTJJU-ZWKOTPCHSA-N 1 0 315.505 3.669 20 10 DHCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183714985 1016329171 /nfs/dbraw/zinc/32/91/71/1016329171.db2.gz SWAXYAKWXZUVPY-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000185032759 1016503786 /nfs/dbraw/zinc/50/37/86/1016503786.db2.gz CBFSGHUCXMCNBY-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091479 1016549295 /nfs/dbraw/zinc/54/92/95/1016549295.db2.gz UOSSCFAWVAQHKS-SJLPKXTDSA-N 1 0 312.457 3.524 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000185085149 1016543013 /nfs/dbraw/zinc/54/30/13/1016543013.db2.gz WFAFBFSANDVSSU-HNNXBMFYSA-N 1 0 313.445 3.793 20 10 DHCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185422072 1016907965 /nfs/dbraw/zinc/90/79/65/1016907965.db2.gz SVVSQDUJTFNDKU-HNNXBMFYSA-N 1 0 310.441 3.868 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000185489833 1016944471 /nfs/dbraw/zinc/94/44/71/1016944471.db2.gz RHKPZYBAYWDORB-GFCCVEGCSA-N 1 0 308.472 3.990 20 10 DHCDRO Cc1cnc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185569191 1017016709 /nfs/dbraw/zinc/01/67/09/1017016709.db2.gz SBNDCHXNHXMCJC-LBPRGKRZSA-N 1 0 302.443 3.887 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185574249 1017024638 /nfs/dbraw/zinc/02/46/38/1017024638.db2.gz INPPNBOJSPEJGI-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185579933 1017028623 /nfs/dbraw/zinc/02/86/23/1017028623.db2.gz MIUVIYQNSQWBBU-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185578775 1017029479 /nfs/dbraw/zinc/02/94/79/1017029479.db2.gz LLIKUGDAIZONHZ-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185578739 1017030255 /nfs/dbraw/zinc/03/02/55/1017030255.db2.gz LLIKUGDAIZONHZ-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192744326 1017052504 /nfs/dbraw/zinc/05/25/04/1017052504.db2.gz FIWPCUFBYOQNLP-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294978566 1032232404 /nfs/dbraw/zinc/23/24/04/1032232404.db2.gz LSFXEWHWLDXUTP-HOTGVXAUSA-N 1 0 304.478 3.826 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000185660651 1017076676 /nfs/dbraw/zinc/07/66/76/1017076676.db2.gz QXDGPTJIPWCNSH-CYBMUJFWSA-N 1 0 322.449 3.655 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000840876585 1017257230 /nfs/dbraw/zinc/25/72/30/1017257230.db2.gz XHFXWQNHUYNJOD-HNNXBMFYSA-N 1 0 324.877 3.808 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c(O)c1 ZINC000185647157 1017081107 /nfs/dbraw/zinc/08/11/07/1017081107.db2.gz YLGBPCITNGYCRS-LBPRGKRZSA-N 1 0 307.340 3.708 20 10 DHCDRO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc2ccccc2c1O ZINC000282778934 1032487124 /nfs/dbraw/zinc/48/71/24/1032487124.db2.gz PKUMTEVZJYHKFS-ZDUSSCGKSA-N 1 0 324.428 3.743 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc2c(cc1O)CCCC2 ZINC000185670169 1017090052 /nfs/dbraw/zinc/09/00/52/1017090052.db2.gz GUJPDKPVQVXSBD-IUODEOHRSA-N 1 0 323.527 3.770 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c(O)c1 ZINC000192846851 1017094593 /nfs/dbraw/zinc/09/45/93/1017094593.db2.gz KPFKGNCQIBQHBG-QWHCGFSZSA-N 1 0 313.401 3.603 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000093453354 1032539300 /nfs/dbraw/zinc/53/93/00/1032539300.db2.gz SMLJZPDSONCXSD-KRWDZBQOSA-N 1 0 312.413 3.831 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000773082356 1032553023 /nfs/dbraw/zinc/55/30/23/1032553023.db2.gz VHMQDBNQVQUZKV-OAHLLOKOSA-N 1 0 324.415 3.832 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382778 1032557506 /nfs/dbraw/zinc/55/75/06/1032557506.db2.gz DYMSXDUEMIYBQN-OAHLLOKOSA-N 1 0 303.352 3.660 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC34CCC(CC3)C4)CC2)cc1 ZINC000773108284 1032561793 /nfs/dbraw/zinc/56/17/93/1032561793.db2.gz VTQSIURHBRJZQB-UHFFFAOYSA-N 1 0 314.473 3.834 20 10 DHCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)cc1O ZINC001172842046 1033411995 /nfs/dbraw/zinc/41/19/95/1033411995.db2.gz OIWTZPYETIZLKF-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160177302 1011933838 /nfs/dbraw/zinc/93/38/38/1011933838.db2.gz VBAIJHOSTLGWGG-INIZCTEOSA-N 1 0 317.454 3.943 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)CCC2 ZINC000729851305 1032599736 /nfs/dbraw/zinc/59/97/36/1032599736.db2.gz JRBIACMIKOUOCM-OAQYLSRUSA-N 1 0 323.436 3.845 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122471431 1032610508 /nfs/dbraw/zinc/61/05/08/1032610508.db2.gz HSSYWPVJPIEWPM-LBPRGKRZSA-N 1 0 317.364 3.651 20 10 DHCDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000122954289 1032628486 /nfs/dbraw/zinc/62/84/86/1032628486.db2.gz DSFICAQRMBQXKE-OAHLLOKOSA-N 1 0 312.461 3.697 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000154473675 1012738746 /nfs/dbraw/zinc/73/87/46/1012738746.db2.gz YBHKPTXLYDUATA-LSDHHAIUSA-N 1 0 316.470 3.997 20 10 DHCDRO COCC1(C)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000773269640 1032668303 /nfs/dbraw/zinc/66/83/03/1032668303.db2.gz RJHAAZNEUPJKJO-UHFFFAOYSA-N 1 0 321.461 3.644 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)c(O)c1 ZINC000696904675 1017243144 /nfs/dbraw/zinc/24/31/44/1017243144.db2.gz MUMUMDWTLMIZFI-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)ccc1OC ZINC000840961168 1017587019 /nfs/dbraw/zinc/58/70/19/1017587019.db2.gz RUTSSAPMHBVSBV-IFXJQAMLSA-N 1 0 321.461 3.525 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001171456479 1032716613 /nfs/dbraw/zinc/71/66/13/1032716613.db2.gz BIUSFAXNCIKLLK-BXUZGUMPSA-N 1 0 303.352 3.879 20 10 DHCDRO Cc1csc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975160 1017725369 /nfs/dbraw/zinc/72/53/69/1017725369.db2.gz DFMLUUUBZUNDGM-ZDUSSCGKSA-N 1 0 303.475 3.547 20 10 DHCDRO CC1(C)Oc2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc2O1 ZINC001167626985 1017738749 /nfs/dbraw/zinc/73/87/49/1017738749.db2.gz YOOMBWYLUYEHAU-UHFFFAOYSA-N 1 0 304.434 3.679 20 10 DHCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000186131225 1017873735 /nfs/dbraw/zinc/87/37/35/1017873735.db2.gz XZFFJDCSJUVHCI-OCCSQVGLSA-N 1 0 313.445 3.584 20 10 DHCDRO CCOc1cccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000186140289 1017909666 /nfs/dbraw/zinc/90/96/66/1017909666.db2.gz SNMANODCQORLTL-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000122011047 1017913871 /nfs/dbraw/zinc/91/38/71/1017913871.db2.gz LTGBQSOZXBAZCJ-ZDUSSCGKSA-N 1 0 306.837 3.546 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)cc1 ZINC000021963004 1018015118 /nfs/dbraw/zinc/01/51/18/1018015118.db2.gz VHVBIYUBOXPICR-UHFFFAOYSA-N 1 0 308.381 3.581 20 10 DHCDRO COc1cc(C[N@H+](C)[C@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000125161320 1032738786 /nfs/dbraw/zinc/73/87/86/1032738786.db2.gz UJSUWGTVPRMOEK-ZDUSSCGKSA-N 1 0 309.475 3.636 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cc1C ZINC000728559206 1018264320 /nfs/dbraw/zinc/26/43/20/1018264320.db2.gz COIMPSFNJBAPNX-UHFFFAOYSA-N 1 0 311.425 3.830 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000764434266 1018281331 /nfs/dbraw/zinc/28/13/31/1018281331.db2.gz WBKAZSSEZUXZNW-PDOICOKGSA-N 1 0 316.489 3.999 20 10 DHCDRO C[C@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)[C@H]1C ZINC000765099786 1018475682 /nfs/dbraw/zinc/47/56/82/1018475682.db2.gz KEWGZLSTKRQTLS-QWHCGFSZSA-N 1 0 311.381 3.901 20 10 DHCDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000766141006 1018492366 /nfs/dbraw/zinc/49/23/66/1018492366.db2.gz CGWLDCLIHRNBOH-KRWDZBQOSA-N 1 0 324.472 3.835 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000125238222 1032771091 /nfs/dbraw/zinc/77/10/91/1032771091.db2.gz JVMLLVWNFRAVLD-CRAIPNDOSA-N 1 0 314.429 3.654 20 10 DHCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000705967492 1018689202 /nfs/dbraw/zinc/68/92/02/1018689202.db2.gz MRWBAXFKTNPETK-NSHDSACASA-N 1 0 317.260 3.521 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000765255431 1018736955 /nfs/dbraw/zinc/73/69/55/1018736955.db2.gz QLJCSGIMMVXGKX-DLBZAZTESA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298333 1018749267 /nfs/dbraw/zinc/74/92/67/1018749267.db2.gz UCIOETMOKQJMCK-UYAOXDASSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328377 1018758063 /nfs/dbraw/zinc/75/80/63/1018758063.db2.gz FHHDVVPJPOMHMF-LSDHHAIUSA-N 1 0 316.470 3.997 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1F ZINC000858161465 1032785556 /nfs/dbraw/zinc/78/55/56/1032785556.db2.gz RCYWVZUDWIUGIY-JTQLQIEISA-N 1 0 304.331 3.556 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000765403340 1018777183 /nfs/dbraw/zinc/77/71/83/1018777183.db2.gz NIOVDPVVWBOYPZ-QGZVFWFLSA-N 1 0 323.484 3.809 20 10 DHCDRO COc1ccc2c(NCc3ccc(N(C)C)cc3)cc[nH+]c2c1 ZINC000765457083 1018792215 /nfs/dbraw/zinc/79/22/15/1018792215.db2.gz XABGBRHERZURDV-UHFFFAOYSA-N 1 0 307.397 3.922 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)nc2C)cc1F ZINC000278549811 1018808234 /nfs/dbraw/zinc/80/82/34/1018808234.db2.gz UZMQNVNGRJSKMH-UHFFFAOYSA-N 1 0 319.399 3.804 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765481856 1018808667 /nfs/dbraw/zinc/80/86/67/1018808667.db2.gz RKLSXJKADAAFQB-IBGZPJMESA-N 1 0 322.452 3.855 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)ccc21 ZINC000765481747 1018809238 /nfs/dbraw/zinc/80/92/38/1018809238.db2.gz QQAMKTCSPLTQIS-QGZVFWFLSA-N 1 0 302.462 3.505 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000858177641 1032792891 /nfs/dbraw/zinc/79/28/91/1032792891.db2.gz FGFUMNRLOMVVOD-VXGBXAGGSA-N 1 0 302.187 3.525 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc(Br)ccc1O ZINC000842928942 1018922550 /nfs/dbraw/zinc/92/25/50/1018922550.db2.gz MYIRQKODSOCKEU-SBMIAAHKSA-N 1 0 316.264 3.699 20 10 DHCDRO CC(C)N(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765625339 1019013292 /nfs/dbraw/zinc/01/32/92/1019013292.db2.gz XHIGNICDKUQGFR-MRXNPFEDSA-N 1 0 321.484 3.807 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC3CCC3)CC2)cc1 ZINC000765637756 1019022189 /nfs/dbraw/zinc/02/21/89/1019022189.db2.gz HLDVQOLJLMJOMD-HNNXBMFYSA-N 1 0 302.462 3.832 20 10 DHCDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825773974 1032809084 /nfs/dbraw/zinc/80/90/84/1032809084.db2.gz SAMWFIXAMVOXDW-ZFWWWQNUSA-N 1 0 321.461 3.698 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1F ZINC000858238972 1032812763 /nfs/dbraw/zinc/81/27/63/1032812763.db2.gz MRDWGFXWFRQPLU-IBGZPJMESA-N 1 0 313.420 3.918 20 10 DHCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765962610 1019194007 /nfs/dbraw/zinc/19/40/07/1019194007.db2.gz ULXFBRCWCUDSEG-WMZOPIPTSA-N 1 0 303.494 3.668 20 10 DHCDRO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]2CCOC2)cc1 ZINC000921961619 1019224064 /nfs/dbraw/zinc/22/40/64/1019224064.db2.gz WFBOYQMNIQTOSG-CTNGQTDRSA-N 1 0 323.436 3.879 20 10 DHCDRO CCc1nocc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858293931 1032831745 /nfs/dbraw/zinc/83/17/45/1032831745.db2.gz BDDPSOWGWAGGAH-UHFFFAOYSA-N 1 0 309.413 3.934 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(CO)o2)c(C)n1-c1cccc(C)c1 ZINC000858294266 1032832323 /nfs/dbraw/zinc/83/23/23/1032832323.db2.gz XEBDLOKGVCUVEL-UHFFFAOYSA-N 1 0 324.424 3.778 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1 ZINC000186189142 1019651159 /nfs/dbraw/zinc/65/11/59/1019651159.db2.gz ISXCSOSQRTWSAV-QKYXUNIQSA-N 1 0 310.441 3.797 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000282222723 1019697794 /nfs/dbraw/zinc/69/77/94/1019697794.db2.gz IBXQLRBZXXBETG-LPHOPBHVSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2nccs2)c(C)n1-c1ccccc1 ZINC000727465448 1019715858 /nfs/dbraw/zinc/71/58/58/1019715858.db2.gz HLFOTBAATGOXJT-UHFFFAOYSA-N 1 0 311.454 3.883 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000727467458 1019720279 /nfs/dbraw/zinc/72/02/79/1019720279.db2.gz ZPKNMVOTMLFCMY-UHFFFAOYSA-N 1 0 322.456 3.709 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccccc2-c2ccncc2)c1O ZINC000363521232 1019723488 /nfs/dbraw/zinc/72/34/88/1019723488.db2.gz YKDMOHHWOSCXAS-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO CCn1ccnc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000727643045 1019743970 /nfs/dbraw/zinc/74/39/70/1019743970.db2.gz ZDDYHJQAJRDJOO-UHFFFAOYSA-N 1 0 322.456 3.643 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000766188688 1019753542 /nfs/dbraw/zinc/75/35/42/1019753542.db2.gz TUQGVCCHUCVUAE-INDMIFKZSA-N 1 0 316.489 3.997 20 10 DHCDRO CCOc1c(Cl)cccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000785469891 1020064525 /nfs/dbraw/zinc/06/45/25/1020064525.db2.gz WVHPOYNJPWVEGC-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000922472810 1020089797 /nfs/dbraw/zinc/08/97/97/1020089797.db2.gz OTRQERLWUMDKTA-SNAWJCMRSA-N 1 0 313.470 3.501 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000922538383 1020118144 /nfs/dbraw/zinc/11/81/44/1020118144.db2.gz RMUWIMFAHPISIF-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO COc1cccc(C[NH2+]CCc2cn(C)c3cc(C)ccc23)c1O ZINC000186545739 1020143275 /nfs/dbraw/zinc/14/32/75/1020143275.db2.gz DQIGGEAIKGOKMJ-UHFFFAOYSA-N 1 0 324.424 3.533 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000922585332 1020145094 /nfs/dbraw/zinc/14/50/94/1020145094.db2.gz RMDNVDVGGZQKED-PRPIBZDOSA-N 1 0 307.441 3.902 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCO2 ZINC000176983030 1020153140 /nfs/dbraw/zinc/15/31/40/1020153140.db2.gz MYAPXJUSTPVWOF-MNOVXSKESA-N 1 0 303.333 3.672 20 10 DHCDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000176985251 1020156440 /nfs/dbraw/zinc/15/64/40/1020156440.db2.gz XLNNGUGNSPCUNI-CHWSQXEVSA-N 1 0 303.377 3.909 20 10 DHCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cnn1C ZINC001117503427 1020179606 /nfs/dbraw/zinc/17/96/06/1020179606.db2.gz GYRJRBBMDZXBPT-MNOVXSKESA-N 1 0 307.825 3.808 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000765995295 1020211894 /nfs/dbraw/zinc/21/18/94/1020211894.db2.gz UFMYNQWGQZJFSZ-CXAGYDPISA-N 1 0 322.880 3.788 20 10 DHCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000732229777 1020215129 /nfs/dbraw/zinc/21/51/29/1020215129.db2.gz GGDIPLHJRRPOIU-INIZCTEOSA-N 1 0 316.489 3.612 20 10 DHCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C(C)C)c1O ZINC000732229626 1020215253 /nfs/dbraw/zinc/21/52/53/1020215253.db2.gz QFSUXBZDVNCFSW-UHFFFAOYSA-N 1 0 316.239 3.688 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1 ZINC000732669634 1020267215 /nfs/dbraw/zinc/26/72/15/1020267215.db2.gz QPWAHQOQUCUBBT-IBGZPJMESA-N 1 0 304.478 3.564 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C/C=C\c1ccccc1 ZINC000732987188 1020312052 /nfs/dbraw/zinc/31/20/52/1020312052.db2.gz XOQWGGCCQDUDCL-DAXSKMNVSA-N 1 0 318.214 3.958 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(C)cc1 ZINC000892437702 1020346723 /nfs/dbraw/zinc/34/67/23/1020346723.db2.gz ARGKYFWKFZGGDK-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000733331841 1020377274 /nfs/dbraw/zinc/37/72/74/1020377274.db2.gz JNNYJROKVDQBDF-AWEZNQCLSA-N 1 0 319.788 3.668 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1O)CCO2 ZINC000186694231 1020399051 /nfs/dbraw/zinc/39/90/51/1020399051.db2.gz YKQSNVBLFIAMIE-SUMWQHHRSA-N 1 0 313.397 3.965 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1O)CCO2 ZINC000186694246 1020399078 /nfs/dbraw/zinc/39/90/78/1020399078.db2.gz YKQSNVBLFIAMIE-GUYCJALGSA-N 1 0 313.397 3.965 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000179583572 1020412888 /nfs/dbraw/zinc/41/28/88/1020412888.db2.gz PUFATYFXCJPSOF-AWEZNQCLSA-N 1 0 303.789 3.699 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000167014650 1020425428 /nfs/dbraw/zinc/42/54/28/1020425428.db2.gz OBTHTJIUFPUZKH-QFBILLFUSA-N 1 0 302.462 3.897 20 10 DHCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177159601 1020479537 /nfs/dbraw/zinc/47/95/37/1020479537.db2.gz IQYXVGFGNWETBT-UHFFFAOYSA-N 1 0 304.821 3.505 20 10 DHCDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000766030910 1020495136 /nfs/dbraw/zinc/49/51/36/1020495136.db2.gz XSTCABSRSPHQPU-LBPRGKRZSA-N 1 0 303.475 3.985 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044220 1020581335 /nfs/dbraw/zinc/58/13/35/1020581335.db2.gz OAVZHBLECBDQRM-AUUYWEPGSA-N 1 0 324.472 3.969 20 10 DHCDRO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000734844295 1020668103 /nfs/dbraw/zinc/66/81/03/1020668103.db2.gz MBFZACTZHISTPH-FQEVSTJZSA-N 1 0 319.404 3.882 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000734844637 1020668585 /nfs/dbraw/zinc/66/85/85/1020668585.db2.gz SUMQGHXVTAUSKJ-OAQYLSRUSA-N 1 0 324.468 3.574 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740005410 1020922839 /nfs/dbraw/zinc/92/28/39/1020922839.db2.gz BRJZOYCQKRATBK-PXAZEXFGSA-N 1 0 311.853 3.713 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2CCOCC2)cc1F ZINC000740006441 1020922848 /nfs/dbraw/zinc/92/28/48/1020922848.db2.gz NAXOXHRGILLSFN-UHFFFAOYSA-N 1 0 308.441 3.578 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)N2CCCCC2)cc1F ZINC000740004249 1020923232 /nfs/dbraw/zinc/92/32/32/1020923232.db2.gz LSQWCVKNTDZKLH-MRXNPFEDSA-N 1 0 321.484 3.636 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278802254 1021017082 /nfs/dbraw/zinc/01/70/82/1021017082.db2.gz OQMKRWXXMVWNAU-SNVBAGLBSA-N 1 0 319.298 3.508 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn3ccnc3s2)cc1 ZINC000892615502 1021097805 /nfs/dbraw/zinc/09/78/05/1021097805.db2.gz RVKGAHZYSIINAC-UHFFFAOYSA-N 1 0 314.458 3.532 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000742369149 1021107290 /nfs/dbraw/zinc/10/72/90/1021107290.db2.gz XFHJODDBSDAWIO-UHFFFAOYSA-N 1 0 303.789 3.573 20 10 DHCDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000742380767 1021108939 /nfs/dbraw/zinc/10/89/39/1021108939.db2.gz SWBHRJBBMQWEJQ-CYBMUJFWSA-N 1 0 305.805 3.911 20 10 DHCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742382905 1021110127 /nfs/dbraw/zinc/11/01/27/1021110127.db2.gz MQDNBRFOJREDSV-CRAIPNDOSA-N 1 0 320.452 3.721 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000742372879 1021113383 /nfs/dbraw/zinc/11/33/83/1021113383.db2.gz KFSBXFYZMXKHMJ-UHFFFAOYSA-N 1 0 317.816 3.841 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1C ZINC000742371798 1021113459 /nfs/dbraw/zinc/11/34/59/1021113459.db2.gz DMOXNWCRHCSTJP-ORAYPTAESA-N 1 0 305.462 3.676 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000742375630 1021114214 /nfs/dbraw/zinc/11/42/14/1021114214.db2.gz SRFYMWWKYLFNRA-HNAYVOBHSA-N 1 0 310.441 3.632 20 10 DHCDRO Cn1cc(C(C)(C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000742374440 1021114325 /nfs/dbraw/zinc/11/43/25/1021114325.db2.gz YCWLBGGLZOSWBX-UHFFFAOYSA-N 1 0 321.424 3.818 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(C)(C)OC)cc1F ZINC000742377507 1021115579 /nfs/dbraw/zinc/11/55/79/1021115579.db2.gz NCIYZEOEZLZWQF-CQSZACIVSA-N 1 0 310.457 3.965 20 10 DHCDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@H]2C)cc1C ZINC000742709412 1021148663 /nfs/dbraw/zinc/14/86/63/1021148663.db2.gz QKYPWGABWWDBGJ-MRXNPFEDSA-N 1 0 310.441 3.544 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(F)CC2)c(Cl)c1 ZINC001236798390 1021278833 /nfs/dbraw/zinc/27/88/33/1021278833.db2.gz NVEALLCAROJCCD-OAHLLOKOSA-N 1 0 301.789 3.768 20 10 DHCDRO C[C@@H]1C[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)S1 ZINC000743378270 1021283522 /nfs/dbraw/zinc/28/35/22/1021283522.db2.gz UXZSRULNLWAZQI-VXGBXAGGSA-N 1 0 309.475 3.721 20 10 DHCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000743398410 1021284875 /nfs/dbraw/zinc/28/48/75/1021284875.db2.gz HQSIXNKDUFTFNN-IAGOWNOFSA-N 1 0 305.487 3.987 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1C ZINC000743377273 1021285096 /nfs/dbraw/zinc/28/50/96/1021285096.db2.gz PNUORPVEARVQRH-FQEVSTJZSA-N 1 0 324.468 3.715 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850010502 1021394313 /nfs/dbraw/zinc/39/43/13/1021394313.db2.gz IRHVRITXWWTNIF-ZDUSSCGKSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cc(C[NH2+]CCOC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850099191 1021421295 /nfs/dbraw/zinc/42/12/95/1021421295.db2.gz GUKRVASTSLYAQX-UHFFFAOYSA-N 1 0 309.450 3.603 20 10 DHCDRO COc1cc(C[NH2+]Cc2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850118811 1021422544 /nfs/dbraw/zinc/42/25/44/1021422544.db2.gz JNCNCKXRKWLOON-UHFFFAOYSA-N 1 0 320.458 3.753 20 10 DHCDRO COc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850158327 1021429689 /nfs/dbraw/zinc/42/96/89/1021429689.db2.gz AHRJIUPEUMUIPP-ZDUSSCGKSA-N 1 0 323.477 3.585 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850168477 1021431025 /nfs/dbraw/zinc/43/10/25/1021431025.db2.gz FRHKAPRAMDGPDX-AWEZNQCLSA-N 1 0 323.477 3.587 20 10 DHCDRO COc1cc(C[NH2+]Cc2cncc(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850226269 1021448036 /nfs/dbraw/zinc/44/80/36/1021448036.db2.gz MGWOEYZXFHVFKG-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1cc(C[NH2+]CCC(C)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850312225 1021473323 /nfs/dbraw/zinc/47/33/23/1021473323.db2.gz DNNQMEMEKRYXDV-UHFFFAOYSA-N 1 0 301.377 3.833 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC000918199268 1021479256 /nfs/dbraw/zinc/47/92/56/1021479256.db2.gz YCXFLGKMPSOOSD-UHFFFAOYSA-N 1 0 322.456 3.766 20 10 DHCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369764 1021491681 /nfs/dbraw/zinc/49/16/81/1021491681.db2.gz LGBYUULQVOPFPI-NHCUHLMSSA-N 1 0 322.452 3.945 20 10 DHCDRO c1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)nsc2c1 ZINC000850400484 1021509472 /nfs/dbraw/zinc/50/94/72/1021509472.db2.gz FNEFVKVQKWBRRC-UHFFFAOYSA-N 1 0 310.422 3.564 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406611 1021513053 /nfs/dbraw/zinc/51/30/53/1021513053.db2.gz NAURBNULXUDOMO-KXBFYZLASA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406089 1021513562 /nfs/dbraw/zinc/51/35/62/1021513562.db2.gz QWDGXQGVTBWUJS-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405988 1021514382 /nfs/dbraw/zinc/51/43/82/1021514382.db2.gz NGASGZIXBWPHBG-SJLPKXTDSA-N 1 0 316.489 3.706 20 10 DHCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000850423221 1021524754 /nfs/dbraw/zinc/52/47/54/1021524754.db2.gz QMONRVMHTVCDOZ-UHFFFAOYSA-N 1 0 302.462 3.724 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)ccc1OC ZINC000744449234 1021548737 /nfs/dbraw/zinc/54/87/37/1021548737.db2.gz TXONFRZTKMKCIN-PKOBYXMFSA-N 1 0 321.461 3.525 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490270 1021560479 /nfs/dbraw/zinc/56/04/79/1021560479.db2.gz YSODKEYFYGQFQX-KDOFPFPSSA-N 1 0 320.452 3.628 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C2)cc1 ZINC000850489448 1021560806 /nfs/dbraw/zinc/56/08/06/1021560806.db2.gz UQLHLTHKQBRNGC-HUUCEWRRSA-N 1 0 322.518 3.784 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(C)oc3C)C2)cc1 ZINC000850486989 1021560882 /nfs/dbraw/zinc/56/08/82/1021560882.db2.gz DWUVXXRPJSRSEX-ZBFHGGJFSA-N 1 0 314.429 3.835 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850495273 1021564740 /nfs/dbraw/zinc/56/47/40/1021564740.db2.gz ZHXVIFLDOQIZOM-DYEKYZERSA-N 1 0 306.425 3.542 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850513714 1021570015 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WNNKLUAGQBYTKM-INIZCTEOSA-N 1 0 308.441 3.530 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cccc3cccnc31)CC2 ZINC000296129444 1023004202 /nfs/dbraw/zinc/00/42/02/1023004202.db2.gz VRUXOYJLZCJIFT-QGZVFWFLSA-N 1 0 304.393 3.760 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000768993466 1023067820 /nfs/dbraw/zinc/06/78/20/1023067820.db2.gz XTJPNIVDAGBQGR-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000769008110 1023077714 /nfs/dbraw/zinc/07/77/14/1023077714.db2.gz NUUYOTSTSDLANF-FQEVSTJZSA-N 1 0 314.473 3.678 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCSC3)cc2)CC1 ZINC000769011929 1023079295 /nfs/dbraw/zinc/07/92/95/1023079295.db2.gz JPBGOJQHAYRADW-KRWDZBQOSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000769102995 1023091596 /nfs/dbraw/zinc/09/15/96/1023091596.db2.gz RNSFRKPJWHFSKN-OXJNMPFZSA-N 1 0 310.441 3.715 20 10 DHCDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769188239 1023098819 /nfs/dbraw/zinc/09/88/19/1023098819.db2.gz GLENMHJSPQUPIM-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769339499 1023128288 /nfs/dbraw/zinc/12/82/88/1023128288.db2.gz QIOKKLRYCFCTCB-SJORKVTESA-N 1 0 316.489 3.922 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000769398295 1023139773 /nfs/dbraw/zinc/13/97/73/1023139773.db2.gz JJGGEQCAIOVEAX-HXUWFJFHSA-N 1 0 310.441 3.500 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(C2CCC2)CC1 ZINC000769413411 1023143222 /nfs/dbraw/zinc/14/32/22/1023143222.db2.gz QIQVNHHLXKPRFJ-UHFFFAOYSA-N 1 0 322.452 3.729 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364405347 1023149672 /nfs/dbraw/zinc/14/96/72/1023149672.db2.gz WZWRUDGXJVIGPJ-UWJYYQICSA-N 1 0 324.468 3.843 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000769467315 1023161989 /nfs/dbraw/zinc/16/19/89/1023161989.db2.gz SZXVSZCAZUTPHK-UHFFFAOYSA-N 1 0 317.433 3.960 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c1O ZINC000769499335 1023166491 /nfs/dbraw/zinc/16/64/91/1023166491.db2.gz QLPUHQVUAUPYEY-NVXWUHKLSA-N 1 0 311.425 3.854 20 10 DHCDRO Cc1cc(O)c(CN(CC(=O)OC(C)(C)C)C(C)C)cc1C ZINC000769503365 1023169034 /nfs/dbraw/zinc/16/90/34/1023169034.db2.gz ILDKKZZBIAVDIO-UHFFFAOYSA-N 1 0 307.434 3.561 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000769513741 1023172492 /nfs/dbraw/zinc/17/24/92/1023172492.db2.gz IAXVNFCQXWBVLR-UHFFFAOYSA-N 1 0 319.445 3.716 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000769523592 1023174141 /nfs/dbraw/zinc/17/41/41/1023174141.db2.gz FQBPYRIODZHMGX-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](CO)c3ccccc32)c(O)c1C ZINC000364437628 1023175089 /nfs/dbraw/zinc/17/50/89/1023175089.db2.gz DFQDAWMOIQYSQH-KHYOSLBOSA-N 1 0 311.425 3.881 20 10 DHCDRO CN(C)c1cccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000769536558 1023175553 /nfs/dbraw/zinc/17/55/53/1023175553.db2.gz BNGLNWSEXLHRTJ-UHFFFAOYSA-N 1 0 315.436 3.590 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769559526 1023180635 /nfs/dbraw/zinc/18/06/35/1023180635.db2.gz NCQRFLSIZWVYEY-NSHDSACASA-N 1 0 307.315 3.799 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000769930964 1023251070 /nfs/dbraw/zinc/25/10/70/1023251070.db2.gz RCXFMGVATDYVCE-SCLBCKFNSA-N 1 0 318.848 3.827 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769986017 1023255891 /nfs/dbraw/zinc/25/58/91/1023255891.db2.gz GIRDETNIPZVADQ-SUMWQHHRSA-N 1 0 304.459 3.588 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769986011 1023256424 /nfs/dbraw/zinc/25/64/24/1023256424.db2.gz GIRDETNIPZVADQ-CXAGYDPISA-N 1 0 304.459 3.588 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000770331964 1023293221 /nfs/dbraw/zinc/29/32/21/1023293221.db2.gz JYNDWQKYXCZBEH-OAHLLOKOSA-N 1 0 319.445 3.644 20 10 DHCDRO CCCC[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC000859296708 1033120606 /nfs/dbraw/zinc/12/06/06/1033120606.db2.gz NNAMOYGDRKQORH-UHFFFAOYSA-N 1 0 307.825 3.581 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000771875472 1023478992 /nfs/dbraw/zinc/47/89/92/1023478992.db2.gz VBEILJDGGBEQDF-UYAOXDASSA-N 1 0 311.425 3.871 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000771875463 1023479630 /nfs/dbraw/zinc/47/96/30/1023479630.db2.gz VBEILJDGGBEQDF-AZUAARDMSA-N 1 0 311.425 3.871 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(O)(CC)CC2)cc1 ZINC000772466074 1023556989 /nfs/dbraw/zinc/55/69/89/1023556989.db2.gz GTYKXQKPTCKWES-LSJNQWAISA-N 1 0 304.478 3.877 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000772470228 1023558714 /nfs/dbraw/zinc/55/87/14/1023558714.db2.gz CBZYLBNGJOGMKK-IEZWGBDMSA-N 1 0 304.478 3.997 20 10 DHCDRO C[C@H]1CCCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000662793949 1023567450 /nfs/dbraw/zinc/56/74/50/1023567450.db2.gz LBDUDAZWWGHXNY-HNNXBMFYSA-N 1 0 320.436 3.876 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785559029 1023590465 /nfs/dbraw/zinc/59/04/65/1023590465.db2.gz KDQVCPNCJAQUSF-JXFKEZNVSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(C)c1O ZINC000786826159 1023726761 /nfs/dbraw/zinc/72/67/61/1023726761.db2.gz BEPZKBGHRKUALS-UHFFFAOYSA-N 1 0 316.420 3.546 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000786831200 1023728019 /nfs/dbraw/zinc/72/80/19/1023728019.db2.gz RXDRORXTHDMXER-OXJNMPFZSA-N 1 0 312.457 3.927 20 10 DHCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000786821860 1023730643 /nfs/dbraw/zinc/73/06/43/1023730643.db2.gz SGEYPJRKEZVGMP-KUHUBIRLSA-N 1 0 316.420 3.758 20 10 DHCDRO CO[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000786952296 1023740099 /nfs/dbraw/zinc/74/00/99/1023740099.db2.gz ZSLVKKANGUKMEU-UFBFGSQYSA-N 1 0 311.731 3.664 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1C ZINC000787048469 1023753197 /nfs/dbraw/zinc/75/31/97/1023753197.db2.gz GEXVOCZIDKWHOJ-UHFFFAOYSA-N 1 0 301.409 3.617 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000787421480 1023790600 /nfs/dbraw/zinc/79/06/00/1023790600.db2.gz RYKWUADKRXWMKU-AWEZNQCLSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000787413988 1023791191 /nfs/dbraw/zinc/79/11/91/1023791191.db2.gz WGLDTUWBCKGSBJ-UHFFFAOYSA-N 1 0 301.430 3.849 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788260192 1023866962 /nfs/dbraw/zinc/86/69/62/1023866962.db2.gz VQXCLLMQLNXBRJ-GDBMZVCRSA-N 1 0 301.434 3.525 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000788270099 1023870216 /nfs/dbraw/zinc/87/02/16/1023870216.db2.gz PFMSVQZPDWMIPU-LAUBAEHRSA-N 1 0 324.468 3.668 20 10 DHCDRO CCCCCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172382279 1033170183 /nfs/dbraw/zinc/17/01/83/1033170183.db2.gz KVVQFBYNTKNFQM-CRAIPNDOSA-N 1 0 309.450 3.860 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c(O)c1 ZINC000788574343 1023909131 /nfs/dbraw/zinc/90/91/31/1023909131.db2.gz SSCOQGSHNKFZDO-DLBZAZTESA-N 1 0 304.478 3.780 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@]1(C)CCCO1 ZINC000788595051 1023911397 /nfs/dbraw/zinc/91/13/97/1023911397.db2.gz ZKPFTBZZSVJCPL-XLIONFOSSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2O ZINC000788606073 1023912309 /nfs/dbraw/zinc/91/23/09/1023912309.db2.gz VBSMVQYXBGYTGR-TZMCWYRMSA-N 1 0 319.420 3.612 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1F ZINC000746755011 1023916927 /nfs/dbraw/zinc/91/69/27/1023916927.db2.gz OZPITXZZWRTPJD-CVEARBPZSA-N 1 0 308.441 3.719 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000788688720 1023920128 /nfs/dbraw/zinc/92/01/28/1023920128.db2.gz GPNRJNXDXHHBHX-JKSUJKDBSA-N 1 0 319.445 3.735 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1 ZINC000788818720 1023940948 /nfs/dbraw/zinc/94/09/48/1023940948.db2.gz QTURFDGNOUATAL-CQSZACIVSA-N 1 0 309.413 3.779 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000788831036 1023942077 /nfs/dbraw/zinc/94/20/77/1023942077.db2.gz HLWCDRACBCHBRU-IBGZPJMESA-N 1 0 312.457 3.602 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876895845 1033178080 /nfs/dbraw/zinc/17/80/80/1033178080.db2.gz MOMUOSCFNLNWIY-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(O)c1 ZINC000876905896 1033180309 /nfs/dbraw/zinc/18/03/09/1033180309.db2.gz ZUERIQIAKCKVOX-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000185482232 1024030153 /nfs/dbraw/zinc/03/01/53/1024030153.db2.gz LHRCXKNIBVIIBM-HIFRSBDPSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2ccccc2c1O ZINC000185513372 1024033491 /nfs/dbraw/zinc/03/34/91/1024033491.db2.gz XLMIRFSSAQPEFM-PXAZEXFGSA-N 1 0 313.422 3.991 20 10 DHCDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876931383 1033187132 /nfs/dbraw/zinc/18/71/32/1033187132.db2.gz NETDLENTWIIWCP-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000130469741 1024169452 /nfs/dbraw/zinc/16/94/52/1024169452.db2.gz CLMUZXVEHAWRGW-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO C[NH+](C)[C@@H]1CCOc2c(NCc3cc(F)ccc3O)cccc21 ZINC000789776393 1024172531 /nfs/dbraw/zinc/17/25/31/1024172531.db2.gz DQGXPYPNQOBDPI-MRXNPFEDSA-N 1 0 316.376 3.529 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000130576319 1024186951 /nfs/dbraw/zinc/18/69/51/1024186951.db2.gz WJKUXOPOSLHIAE-INIZCTEOSA-N 1 0 322.456 3.684 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000876956817 1033192954 /nfs/dbraw/zinc/19/29/54/1033192954.db2.gz OIOADWQTMGGSTP-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N(C)C1CC1 ZINC000130701913 1024203472 /nfs/dbraw/zinc/20/34/72/1024203472.db2.gz ZURQTFLTELATOZ-IRXDYDNUSA-N 1 0 315.505 3.810 20 10 DHCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268974771 1024207062 /nfs/dbraw/zinc/20/70/62/1024207062.db2.gz JATJUIOUEARKIT-ULQDDVLXSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC000876968803 1033193953 /nfs/dbraw/zinc/19/39/53/1033193953.db2.gz UBUDBNSEPAYECP-QUCCMNQESA-N 1 0 311.425 3.958 20 10 DHCDRO CCn1cc(C[NH2+]Cc2cc(C)ccc2O)c(-c2ccccc2)n1 ZINC000883187831 1024276590 /nfs/dbraw/zinc/27/65/90/1024276590.db2.gz XKCQDJYYIQOYFT-UHFFFAOYSA-N 1 0 321.424 3.874 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(C)CC(F)(F)C2)ccc1OC ZINC000883250325 1024319935 /nfs/dbraw/zinc/31/99/35/1024319935.db2.gz OXGBUMRYXSKRKI-UHFFFAOYSA-N 1 0 313.388 3.757 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000883272419 1024343241 /nfs/dbraw/zinc/34/32/41/1024343241.db2.gz LUFGQKUDAQQEMT-JKOKRWQUSA-N 1 0 317.351 3.877 20 10 DHCDRO CC(C)OCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172451720 1033207877 /nfs/dbraw/zinc/20/78/77/1033207877.db2.gz UMMNTYZJRKZOHH-QGZVFWFLSA-N 1 0 304.478 3.922 20 10 DHCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(C)(C)O ZINC000790701813 1024358478 /nfs/dbraw/zinc/35/84/78/1024358478.db2.gz NVRLQAOFYZVDKA-ACJLOTCBSA-N 1 0 301.430 3.992 20 10 DHCDRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000790682628 1024363268 /nfs/dbraw/zinc/36/32/68/1024363268.db2.gz FLRJJWDMMGJMPX-HNNXBMFYSA-N 1 0 306.425 3.669 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(C)ccc1O ZINC000883328046 1024380326 /nfs/dbraw/zinc/38/03/26/1024380326.db2.gz KPWXMLFXPZLBJI-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790947214 1024402704 /nfs/dbraw/zinc/40/27/04/1024402704.db2.gz MCJRJQNUWSIEHP-LBPRGKRZSA-N 1 0 314.832 3.539 20 10 DHCDRO C[NH+](C)CCCCCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959539 1024405259 /nfs/dbraw/zinc/40/52/59/1024405259.db2.gz ZDVJDXRSHZFDFI-UHFFFAOYSA-N 1 0 316.848 3.786 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(F)c2N)cc1F ZINC000877028055 1033209823 /nfs/dbraw/zinc/20/98/23/1033209823.db2.gz WZDNBXSTIOYDNU-UHFFFAOYSA-N 1 0 319.399 3.683 20 10 DHCDRO CCc1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000132160897 1024457559 /nfs/dbraw/zinc/45/75/59/1024457559.db2.gz DWEHXOJSCNSQBA-UHFFFAOYSA-N 1 0 314.429 3.609 20 10 DHCDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000178513999 1024459162 /nfs/dbraw/zinc/45/91/62/1024459162.db2.gz BNTZRBKEFUZKSC-CQSZACIVSA-N 1 0 316.449 3.542 20 10 DHCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000271177653 1024466554 /nfs/dbraw/zinc/46/65/54/1024466554.db2.gz XJEWSSKSQUELLL-UHFFFAOYSA-N 1 0 315.442 3.659 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436508 1024505781 /nfs/dbraw/zinc/50/57/81/1024505781.db2.gz DURNDSGGROLMPJ-ZIAGYGMSSA-N 1 0 316.424 3.951 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000271439955 1024506845 /nfs/dbraw/zinc/50/68/45/1024506845.db2.gz FARHHCLJHKZEMG-QILLFSRXSA-N 1 0 304.478 3.997 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)ccc1OC ZINC000271511071 1024526778 /nfs/dbraw/zinc/52/67/78/1024526778.db2.gz LUECYRXKODXXTJ-IEBWSBKVSA-N 1 0 321.461 3.525 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)c(O)c1 ZINC000877066561 1033224391 /nfs/dbraw/zinc/22/43/91/1033224391.db2.gz OBIBVEUTDFFXPM-UHFFFAOYSA-N 1 0 321.424 3.605 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000877068358 1033227777 /nfs/dbraw/zinc/22/77/77/1033227777.db2.gz POFWPFGZUMYTHW-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000026315571 1024678864 /nfs/dbraw/zinc/67/88/64/1024678864.db2.gz ACWCDJBINSQLAK-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO CCc1ccc2c(C[N@H+](C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109769549 1024696466 /nfs/dbraw/zinc/69/64/66/1024696466.db2.gz CTBWJIGTGODFDY-UHFFFAOYSA-N 1 0 323.392 3.693 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000877073316 1033229725 /nfs/dbraw/zinc/22/97/25/1033229725.db2.gz IEIZCXXNZRWVIH-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000897419321 1024793596 /nfs/dbraw/zinc/79/35/96/1024793596.db2.gz FHQUVSXKWBWUKB-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000028924811 1024812606 /nfs/dbraw/zinc/81/26/06/1024812606.db2.gz RCFHYLHNYHDQPZ-CQSZACIVSA-N 1 0 311.429 3.562 20 10 DHCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC001202675972 1024832157 /nfs/dbraw/zinc/83/21/57/1024832157.db2.gz IDOVIWUPXDCRND-UHFFFAOYSA-N 1 0 308.441 3.578 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCS2)c(C(F)(F)F)c1 ZINC000793008314 1024861875 /nfs/dbraw/zinc/86/18/75/1024861875.db2.gz FDNFRHWJDBAYSX-ZDUSSCGKSA-N 1 0 318.408 3.757 20 10 DHCDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000747100279 1024888767 /nfs/dbraw/zinc/88/87/67/1024888767.db2.gz SRMQTPLIBKFWSO-LSDHHAIUSA-N 1 0 311.425 3.912 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(O)c1 ZINC000877119215 1033243793 /nfs/dbraw/zinc/24/37/93/1033243793.db2.gz VBXOUUHXRNQAQP-LPHOPBHVSA-N 1 0 311.425 3.958 20 10 DHCDRO COc1ccc(C[NH2+]CCCN2CCc3ccccc32)cc1C ZINC000319932407 1024900805 /nfs/dbraw/zinc/90/08/05/1024900805.db2.gz CVDJNCGCJCXAKY-UHFFFAOYSA-N 1 0 310.441 3.546 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000877123309 1033246481 /nfs/dbraw/zinc/24/64/81/1033246481.db2.gz SHKWWENSEPLBPP-CQSZACIVSA-N 1 0 323.396 3.644 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000793235306 1024952215 /nfs/dbraw/zinc/95/22/15/1024952215.db2.gz FVQFFAJGCPMNFE-FUHWJXTLSA-N 1 0 303.377 3.523 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1Cl ZINC000897429165 1024967586 /nfs/dbraw/zinc/96/75/86/1024967586.db2.gz BORRQHFXFCARKZ-UHFFFAOYSA-N 1 0 319.836 3.640 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793353278 1024997427 /nfs/dbraw/zinc/99/74/27/1024997427.db2.gz QYVJAVHJKUKSCO-GDBMZVCRSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccn2CCC(C)C)c(O)c1 ZINC000793385536 1025030064 /nfs/dbraw/zinc/03/00/64/1025030064.db2.gz BNWPDPFQBDOYNL-UHFFFAOYSA-N 1 0 302.418 3.538 20 10 DHCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)cc1C ZINC000793575061 1025124860 /nfs/dbraw/zinc/12/48/60/1025124860.db2.gz RTRCYIVURORRJJ-SFHVURJKSA-N 1 0 312.413 3.687 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1O ZINC000279648065 1025124819 /nfs/dbraw/zinc/12/48/19/1025124819.db2.gz DSXXDEQLWRGBEC-MRXNPFEDSA-N 1 0 301.361 3.707 20 10 DHCDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(O)cc1C ZINC000793575059 1025125104 /nfs/dbraw/zinc/12/51/04/1025125104.db2.gz RTRCYIVURORRJJ-GOSISDBHSA-N 1 0 312.413 3.687 20 10 DHCDRO CSC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000793787617 1025164117 /nfs/dbraw/zinc/16/41/17/1025164117.db2.gz DIFAGXMARXHKOP-ZDUSSCGKSA-N 1 0 302.443 3.515 20 10 DHCDRO CSC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000793793000 1025165302 /nfs/dbraw/zinc/16/53/02/1025165302.db2.gz QVMGXYQKNAVCCR-ZDUSSCGKSA-N 1 0 323.502 3.970 20 10 DHCDRO Cc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c(O)c1 ZINC000877353200 1033288253 /nfs/dbraw/zinc/28/82/53/1033288253.db2.gz NVDRNPQPGHSFRV-UHFFFAOYSA-N 1 0 311.425 3.621 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cc1 ZINC000886345049 1025597110 /nfs/dbraw/zinc/59/71/10/1025597110.db2.gz QUXQYDQMSXVEHQ-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000886363960 1025603669 /nfs/dbraw/zinc/60/36/69/1025603669.db2.gz KGVYRDIGYFKGEU-MRXNPFEDSA-N 1 0 301.361 3.707 20 10 DHCDRO Cc1n[nH]c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000893948057 1025619506 /nfs/dbraw/zinc/61/95/06/1025619506.db2.gz QRNYMYFXDYMYHD-UHFFFAOYSA-N 1 0 300.450 3.503 20 10 DHCDRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000321801225 1025660260 /nfs/dbraw/zinc/66/02/60/1025660260.db2.gz UELHDUFJVFXOJI-ROUUACIJSA-N 1 0 316.489 3.829 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886506511 1025662366 /nfs/dbraw/zinc/66/23/66/1025662366.db2.gz VWPZVEBJULVNJY-LJQANCHMSA-N 1 0 314.477 3.753 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1O ZINC000236911226 1025722943 /nfs/dbraw/zinc/72/29/43/1025722943.db2.gz RGWYQUKIDCSRFA-UHFFFAOYSA-N 1 0 324.380 3.736 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1c([O-])cccc1F ZINC000886588729 1025727593 /nfs/dbraw/zinc/72/75/93/1025727593.db2.gz XXONVWGFNGYVCD-SOUVJXGZSA-N 1 0 320.452 3.835 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1 ZINC000236935222 1025760822 /nfs/dbraw/zinc/76/08/22/1025760822.db2.gz IOYMWGRODZVMBO-MRXNPFEDSA-N 1 0 312.457 3.959 20 10 DHCDRO CC(C)SCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000806168167 1025795958 /nfs/dbraw/zinc/79/59/58/1025795958.db2.gz VZUFNBBEHXYMPH-JTQLQIEISA-N 1 0 318.280 3.947 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806170016 1025797309 /nfs/dbraw/zinc/79/73/09/1025797309.db2.gz VDFIOMOZDOAEDY-WBVHZDCISA-N 1 0 322.468 3.731 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000886776486 1025895559 /nfs/dbraw/zinc/89/55/59/1025895559.db2.gz IAHDMZOWKNIJRD-KDOFPFPSSA-N 1 0 319.445 3.791 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000236968563 1025947858 /nfs/dbraw/zinc/94/78/58/1025947858.db2.gz HWHQBMYFKQLOFB-HXUWFJFHSA-N 1 0 324.468 3.982 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000089553129 1026054912 /nfs/dbraw/zinc/05/49/12/1026054912.db2.gz ULJOTFIXZHFAFQ-IAGOWNOFSA-N 1 0 310.441 3.935 20 10 DHCDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841748135 1026065578 /nfs/dbraw/zinc/06/55/78/1026065578.db2.gz HKRFOXFTOPQZKM-GFCCVEGCSA-N 1 0 305.809 3.512 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+]C3(C4CC4)CCC3)cc2)CC1 ZINC000887148524 1026103647 /nfs/dbraw/zinc/10/36/47/1026103647.db2.gz HIGMGZLJHOHGCV-UHFFFAOYSA-N 1 0 314.473 3.724 20 10 DHCDRO Cc1cnc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)c1 ZINC000826535522 1026107818 /nfs/dbraw/zinc/10/78/18/1026107818.db2.gz YZELTZPLYOEZJY-UHFFFAOYSA-N 1 0 304.821 3.698 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1O ZINC000894160514 1026213921 /nfs/dbraw/zinc/21/39/21/1026213921.db2.gz NBSFRRXZUDMOQK-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000808190858 1026223426 /nfs/dbraw/zinc/22/34/26/1026223426.db2.gz KHRUJEJBKZXHMG-HNAYVOBHSA-N 1 0 310.441 3.604 20 10 DHCDRO CCOCc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894166138 1026244457 /nfs/dbraw/zinc/24/44/57/1026244457.db2.gz VLTFWEZQQJGXDB-UHFFFAOYSA-N 1 0 315.413 3.536 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290010041 1026280101 /nfs/dbraw/zinc/28/01/01/1026280101.db2.gz DPLQRGOGJVHRCB-QLJPJBMISA-N 1 0 319.788 3.666 20 10 DHCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808443083 1026285697 /nfs/dbraw/zinc/28/56/97/1026285697.db2.gz AILQHXKTNPQAKY-ABKXIKBNSA-N 1 0 307.752 3.797 20 10 DHCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808443084 1026285986 /nfs/dbraw/zinc/28/59/86/1026285986.db2.gz AILQHXKTNPQAKY-FVMDXXJSSA-N 1 0 307.752 3.797 20 10 DHCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808688908 1026349853 /nfs/dbraw/zinc/34/98/53/1026349853.db2.gz WYZVDAPJCGRNAO-SNVBAGLBSA-N 1 0 307.825 3.555 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2ncccc2F)c1O ZINC000808708332 1026358086 /nfs/dbraw/zinc/35/80/86/1026358086.db2.gz KJIXNSMCQWUTHE-LLVKDONJSA-N 1 0 324.783 3.618 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1O ZINC000808710613 1026359606 /nfs/dbraw/zinc/35/96/06/1026359606.db2.gz SJCGKVCWRVBNSD-BLLLJJGKSA-N 1 0 311.853 3.802 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O ZINC000808711008 1026360297 /nfs/dbraw/zinc/36/02/97/1026360297.db2.gz ZSAWVNWXQUPVNW-XYZKALLWSA-N 1 0 321.848 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CCO)CCCC2)c1O ZINC000808700004 1026376282 /nfs/dbraw/zinc/37/62/82/1026376282.db2.gz HFTZASFNDNIXRZ-CYBMUJFWSA-N 1 0 311.853 3.947 20 10 DHCDRO COc1cncc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000808728954 1026382076 /nfs/dbraw/zinc/38/20/76/1026382076.db2.gz XDMKMRAEDLYTDY-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000808733626 1026385860 /nfs/dbraw/zinc/38/58/60/1026385860.db2.gz YXUIZZPSDBOWNU-IPYPFGDCSA-N 1 0 308.441 3.790 20 10 DHCDRO Fc1cc(F)cc(C2CC([NH2+]Cc3ccc4c(c3)CCO4)C2)c1 ZINC000809612262 1026563865 /nfs/dbraw/zinc/56/38/65/1026563865.db2.gz IBTDEEKDTRAGJF-UHFFFAOYSA-N 1 0 315.363 3.936 20 10 DHCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000809609549 1026563972 /nfs/dbraw/zinc/56/39/72/1026563972.db2.gz LDCQYKMIROJXPT-QGZVFWFLSA-N 1 0 318.505 3.667 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C)cc1O ZINC000280028798 1026574459 /nfs/dbraw/zinc/57/44/59/1026574459.db2.gz HZDTVLHWRJIUBW-JKSUJKDBSA-N 1 0 302.418 3.637 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)c1O ZINC000809740123 1026611330 /nfs/dbraw/zinc/61/13/30/1026611330.db2.gz LVCRDAFUUYSIOK-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1F ZINC000809758487 1026618123 /nfs/dbraw/zinc/61/81/23/1026618123.db2.gz OGPIRNWUKUIANZ-DOTOQJQBSA-N 1 0 320.452 3.530 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265631 1026621856 /nfs/dbraw/zinc/62/18/56/1026621856.db2.gz XMMSPSJRZOINCO-HZPDHXFCSA-N 1 0 321.367 3.753 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000809786843 1026626286 /nfs/dbraw/zinc/62/62/86/1026626286.db2.gz MPGQRFSGOKLBPQ-PXAZEXFGSA-N 1 0 305.805 3.566 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C)cc1O ZINC000280276107 1026630541 /nfs/dbraw/zinc/63/05/41/1026630541.db2.gz YDUZBDOISCCHTK-ZVZYQTTQSA-N 1 0 321.486 3.796 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(F)cc1[O-] ZINC000796856870 1026677632 /nfs/dbraw/zinc/67/76/32/1026677632.db2.gz NJRAPUJSOLCSET-CZUORRHYSA-N 1 0 309.425 3.761 20 10 DHCDRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000810133779 1026685244 /nfs/dbraw/zinc/68/52/44/1026685244.db2.gz LUUAJQSTIQGDNC-LPHOPBHVSA-N 1 0 314.473 3.605 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc3sccc3c1)OCO2 ZINC000810159774 1026698051 /nfs/dbraw/zinc/69/80/51/1026698051.db2.gz HYDFDJYFSZWCMW-UHFFFAOYSA-N 1 0 313.378 3.625 20 10 DHCDRO CC[C@@]1(C[NH2+]Cc2cc(C)ccc2O)OCCc2ccccc21 ZINC000810159866 1026698091 /nfs/dbraw/zinc/69/80/91/1026698091.db2.gz LRAXKMMYPKSJJE-FQEVSTJZSA-N 1 0 311.425 3.668 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810218864 1026708673 /nfs/dbraw/zinc/70/86/73/1026708673.db2.gz DUYNTHWJQIRRQP-KGLIPLIRSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810215460 1026709471 /nfs/dbraw/zinc/70/94/71/1026709471.db2.gz FVFCYDKGSDJBHZ-MFKMUULPSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226799 1026714204 /nfs/dbraw/zinc/71/42/04/1026714204.db2.gz LOJZZVIOKUDXKL-KGLIPLIRSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cccnc1OC)c1cc(Cl)ccc1O ZINC000810259078 1026718587 /nfs/dbraw/zinc/71/85/87/1026718587.db2.gz AQJIYUAGMDVXJG-OAHLLOKOSA-N 1 0 320.820 3.733 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000810239306 1026725461 /nfs/dbraw/zinc/72/54/61/1026725461.db2.gz TVIIXCMDWIEPPE-RDBSUJKOSA-N 1 0 317.351 3.755 20 10 DHCDRO CC[C@H]([NH2+]CCOC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810236253 1026726007 /nfs/dbraw/zinc/72/60/07/1026726007.db2.gz AXVYONNQMAGRBN-ZDUSSCGKSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@]1(C[NH2+][C@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000810243748 1026726994 /nfs/dbraw/zinc/72/69/94/1026726994.db2.gz SJGGIGVFEKWYCK-QRWLVFNGSA-N 1 0 311.425 3.921 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c1O ZINC000810247013 1026729146 /nfs/dbraw/zinc/72/91/46/1026729146.db2.gz INSSSLBHZJIKAF-GFCCVEGCSA-N 1 0 319.836 3.666 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000810257218 1026731858 /nfs/dbraw/zinc/73/18/58/1026731858.db2.gz NMAAIOGYIREYSN-OUAUKWLOSA-N 1 0 316.239 3.537 20 10 DHCDRO Cc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000811508247 1027025541 /nfs/dbraw/zinc/02/55/41/1027025541.db2.gz IFMOTCSSEOHZDD-SFHVURJKSA-N 1 0 308.425 3.685 20 10 DHCDRO COc1ccc(O)c(CNc2c(C)c(C)[nH+]c3ccccc32)c1 ZINC000811805096 1027087694 /nfs/dbraw/zinc/08/76/94/1027087694.db2.gz JPSZJGGRULZUMV-UHFFFAOYSA-N 1 0 308.381 3.600 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000271866967 1027168192 /nfs/dbraw/zinc/16/81/92/1027168192.db2.gz LRBFERUUJBSKRC-HNNXBMFYSA-N 1 0 303.789 3.837 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](Cc1cncn1C)Cc1ccccc1O ZINC000272011370 1027201788 /nfs/dbraw/zinc/20/17/88/1027201788.db2.gz JXSAHZIEIBFCPP-INIZCTEOSA-N 1 0 321.424 3.889 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)c(O)c1 ZINC001170670943 1027221490 /nfs/dbraw/zinc/22/14/90/1027221490.db2.gz VZDUROAUBJGRNS-OAHLLOKOSA-N 1 0 317.379 3.934 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000362618746 1027313262 /nfs/dbraw/zinc/31/32/62/1027313262.db2.gz ARGKJKAGIHRVQM-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cl)cc2OC)c1O ZINC000894275744 1027319185 /nfs/dbraw/zinc/31/91/85/1027319185.db2.gz IQRLFOYUHLMSIY-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000812715840 1027373676 /nfs/dbraw/zinc/37/36/76/1027373676.db2.gz AZSALKLAJJBAMV-IBGZPJMESA-N 1 0 310.441 3.934 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000812747334 1027385191 /nfs/dbraw/zinc/38/51/91/1027385191.db2.gz WFSINQOACLRUER-UHFFFAOYSA-N 1 0 314.404 3.507 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811487 1027438393 /nfs/dbraw/zinc/43/83/93/1027438393.db2.gz ACKAQQLBMTZZEJ-JKSUJKDBSA-N 1 0 301.430 3.851 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCCCC3)c1)CC2 ZINC000295828839 1027448374 /nfs/dbraw/zinc/44/83/74/1027448374.db2.gz DTLLKTKDFLOSDH-KRWDZBQOSA-N 1 0 323.440 3.555 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854099 1027452939 /nfs/dbraw/zinc/45/29/39/1027452939.db2.gz VJUWEMPMEWVSBV-OXJNMPFZSA-N 1 0 312.457 3.697 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000296006508 1027517422 /nfs/dbraw/zinc/51/74/22/1027517422.db2.gz OPROVYICAGGLSO-GOSISDBHSA-N 1 0 308.425 3.770 20 10 DHCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2sccc21 ZINC000296230435 1027581399 /nfs/dbraw/zinc/58/13/99/1027581399.db2.gz AGPUGLYOLGWZSH-KSSFIOAISA-N 1 0 315.438 3.519 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cc(F)ccc1O ZINC000296625767 1027688948 /nfs/dbraw/zinc/68/89/48/1027688948.db2.gz XCKMWSBFYCXCBL-SECBINFHSA-N 1 0 314.282 3.796 20 10 DHCDRO C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000778984775 1027710607 /nfs/dbraw/zinc/71/06/07/1027710607.db2.gz KIECYALTLWMBOT-PKOBYXMFSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000778985420 1027717187 /nfs/dbraw/zinc/71/71/87/1027717187.db2.gz SYRAMOQQLSUAKX-JKSUJKDBSA-N 1 0 315.413 3.803 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1C ZINC000813857474 1027731362 /nfs/dbraw/zinc/73/13/62/1027731362.db2.gz JKDNYYIXWSFVDN-WBOJAVRRSA-N 1 0 324.415 3.891 20 10 DHCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)c1ccccc1 ZINC000778996413 1027735062 /nfs/dbraw/zinc/73/50/62/1027735062.db2.gz OCMDQJIOCVTALD-AWEZNQCLSA-N 1 0 303.377 3.741 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000778996698 1027738613 /nfs/dbraw/zinc/73/86/13/1027738613.db2.gz XJBRESARFMNGSB-UHFFFAOYSA-N 1 0 320.452 3.619 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000778996879 1027740890 /nfs/dbraw/zinc/74/08/90/1027740890.db2.gz UYTZBWACOZJKDV-WMZOPIPTSA-N 1 0 304.478 3.778 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876930 1027748725 /nfs/dbraw/zinc/74/87/25/1027748725.db2.gz DTNNKOZACMZYLR-QMTHXVAHSA-N 1 0 319.276 3.937 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000813883848 1027750068 /nfs/dbraw/zinc/75/00/68/1027750068.db2.gz OWCQJANXOLSYAU-JSGCOSHPSA-N 1 0 318.367 3.600 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364580519 1027844676 /nfs/dbraw/zinc/84/46/76/1027844676.db2.gz OOHHIRMAEGQQAH-UVFQYZLESA-N 1 0 311.425 3.647 20 10 DHCDRO CC(C)Cc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527733942 1027851798 /nfs/dbraw/zinc/85/17/98/1027851798.db2.gz RMMGAFXBLAQRJO-UHFFFAOYSA-N 1 0 313.397 3.609 20 10 DHCDRO COc1cc(C[NH2+]CC[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000527738145 1027865562 /nfs/dbraw/zinc/86/55/62/1027865562.db2.gz KBXMKUAMUBNYLZ-CQSZACIVSA-N 1 0 321.461 3.605 20 10 DHCDRO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764366 1027887421 /nfs/dbraw/zinc/88/74/21/1027887421.db2.gz MHQKGSOPCAICCB-IFXJQAMLSA-N 1 0 307.397 3.566 20 10 DHCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)cc(Cl)c1O ZINC000298004883 1027890640 /nfs/dbraw/zinc/89/06/40/1027890640.db2.gz ZXDBYDLLSHVTGF-UHFFFAOYSA-N 1 0 321.804 3.782 20 10 DHCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365509485 1027958276 /nfs/dbraw/zinc/95/82/76/1027958276.db2.gz QJKRWEJDFVNQER-ATZDWAIDSA-N 1 0 311.425 3.791 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000814292527 1027992244 /nfs/dbraw/zinc/99/22/44/1027992244.db2.gz YRZULCJZNTZQCT-UHFFFAOYSA-N 1 0 312.394 3.821 20 10 DHCDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccccc1O ZINC000528043637 1028059329 /nfs/dbraw/zinc/05/93/29/1028059329.db2.gz OSLXLJAVASXHQE-APWZRJJASA-N 1 0 312.413 3.988 20 10 DHCDRO CC[C@H]([NH2+]CCCSc1nccs1)c1ccc(F)cn1 ZINC000779063879 1028135600 /nfs/dbraw/zinc/13/56/00/1028135600.db2.gz BKTWBXIIVKGROB-LBPRGKRZSA-N 1 0 311.451 3.900 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc2c(cc1O)CCCC2 ZINC000779080157 1028191161 /nfs/dbraw/zinc/19/11/61/1028191161.db2.gz TWOVWRJSHQMQRC-CZUORRHYSA-N 1 0 303.446 3.879 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000779087101 1028221623 /nfs/dbraw/zinc/22/16/23/1028221623.db2.gz LYAVPIRBPVKTMD-INIZCTEOSA-N 1 0 309.768 3.662 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCCC2)cc1 ZINC000368001183 1028272821 /nfs/dbraw/zinc/27/28/21/1028272821.db2.gz XGHOLQJLLIIMRL-DOTOQJQBSA-N 1 0 324.472 3.608 20 10 DHCDRO Cc1cc(C[NH+]2CCC(OC3CCCC3)CC2)ccc1N(C)C ZINC000815031267 1028340735 /nfs/dbraw/zinc/34/07/35/1028340735.db2.gz PSLDPMQCZXVIDX-UHFFFAOYSA-N 1 0 316.489 3.985 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1N(C)C ZINC000815091542 1028342259 /nfs/dbraw/zinc/34/22/59/1028342259.db2.gz VIQPZSCNIKLXMY-CRAIPNDOSA-N 1 0 310.441 3.715 20 10 DHCDRO Cc1ccnc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815092563 1028354809 /nfs/dbraw/zinc/35/48/09/1028354809.db2.gz KRRVYTDKHXIGDY-UHFFFAOYSA-N 1 0 324.472 3.539 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000815117458 1028364765 /nfs/dbraw/zinc/36/47/65/1028364765.db2.gz NITSSIQXFSECEP-VQIMIIECSA-N 1 0 304.478 3.658 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000815120010 1028365902 /nfs/dbraw/zinc/36/59/02/1028365902.db2.gz LZPTYLXJNNBRLU-ZWKOTPCHSA-N 1 0 302.462 3.532 20 10 DHCDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095045 1028377113 /nfs/dbraw/zinc/37/71/13/1028377113.db2.gz RBHWNHWDWJLMDB-KRWDZBQOSA-N 1 0 304.478 3.700 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000815108917 1028382586 /nfs/dbraw/zinc/38/25/86/1028382586.db2.gz QBFAKQPUXCEHGH-DOMZBBRYSA-N 1 0 300.368 3.915 20 10 DHCDRO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1N(C)C ZINC000815108801 1028383935 /nfs/dbraw/zinc/38/39/35/1028383935.db2.gz ODSZWXMTTRXXQS-JSGCOSHPSA-N 1 0 300.368 3.834 20 10 DHCDRO Oc1c(Br)cccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000815159169 1028385182 /nfs/dbraw/zinc/38/51/82/1028385182.db2.gz KONIICINDOMJKF-UHFFFAOYSA-N 1 0 319.202 3.651 20 10 DHCDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000779148309 1028424995 /nfs/dbraw/zinc/42/49/95/1028424995.db2.gz BZBHKYPSRBSSIH-PXAZEXFGSA-N 1 0 305.805 3.911 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769934 1028528606 /nfs/dbraw/zinc/52/86/06/1028528606.db2.gz CRTNFDAHPAQUGT-KBXCAEBGSA-N 1 0 313.445 3.958 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815582610 1028553318 /nfs/dbraw/zinc/55/33/18/1028553318.db2.gz LASLEUIYNWLHBD-IBGZPJMESA-N 1 0 321.424 3.887 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c(O)c1 ZINC000815592615 1028559378 /nfs/dbraw/zinc/55/93/78/1028559378.db2.gz NFVRXQRYHCUOPC-KXBFYZLASA-N 1 0 311.425 3.974 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c(O)c1 ZINC000815594835 1028562529 /nfs/dbraw/zinc/56/25/29/1028562529.db2.gz ZHWADLGXVCHGPU-BLLLJJGKSA-N 1 0 321.367 3.671 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1 ZINC000815599354 1028563909 /nfs/dbraw/zinc/56/39/09/1028563909.db2.gz QUVGZPGMFSFCPW-MAUKXSAKSA-N 1 0 310.441 3.846 20 10 DHCDRO Cn1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000815599246 1028565071 /nfs/dbraw/zinc/56/50/71/1028565071.db2.gz ONQIUATTZWREQO-LJQANCHMSA-N 1 0 321.424 3.589 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000815574801 1028567241 /nfs/dbraw/zinc/56/72/41/1028567241.db2.gz CSZFEAJZJIYZPG-AWEZNQCLSA-N 1 0 322.449 3.574 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000370222031 1028578082 /nfs/dbraw/zinc/57/80/82/1028578082.db2.gz KDAYJMOXOUZXQT-ZBFHGGJFSA-N 1 0 319.445 3.600 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1O ZINC000815643103 1028590200 /nfs/dbraw/zinc/59/02/00/1028590200.db2.gz UBRIETQJVUWASB-YGRLFVJLSA-N 1 0 306.793 3.948 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCCCC2)cc1 ZINC000370662697 1028631833 /nfs/dbraw/zinc/63/18/33/1028631833.db2.gz NNQFTVAVLZOLIR-MAUKXSAKSA-N 1 0 324.472 3.608 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1O ZINC000748051384 1028768682 /nfs/dbraw/zinc/76/86/82/1028768682.db2.gz SSILZLCTFCTKAD-SFHVURJKSA-N 1 0 313.372 3.853 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)Cc1ccsc1 ZINC000190259151 1028868385 /nfs/dbraw/zinc/86/83/85/1028868385.db2.gz QOURYKIPHYAFPU-CYBMUJFWSA-N 1 0 305.443 3.915 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000372597052 1028874502 /nfs/dbraw/zinc/87/45/02/1028874502.db2.gz WOBCUEVFFHHXHI-GOEBONIOSA-N 1 0 318.442 3.682 20 10 DHCDRO COc1ccccc1OCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816528602 1028920616 /nfs/dbraw/zinc/92/06/16/1028920616.db2.gz JUXADOKYHGUDNC-UHFFFAOYSA-N 1 0 323.392 3.723 20 10 DHCDRO CC(C)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N(C)C ZINC000816534719 1028921849 /nfs/dbraw/zinc/92/18/49/1028921849.db2.gz RZBHQESCPVEOBU-KRWDZBQOSA-N 1 0 300.446 3.611 20 10 DHCDRO Oc1c(C[NH2+]C[C@H](O)c2ccccc2F)ccc2ccccc21 ZINC000816537849 1028926773 /nfs/dbraw/zinc/92/67/73/1028926773.db2.gz VVCBPDUXGJREQR-SFHVURJKSA-N 1 0 311.356 3.508 20 10 DHCDRO Oc1c(C[NH2+]C[C@H](O)c2cccc(F)c2)ccc2ccccc21 ZINC000816543771 1028927453 /nfs/dbraw/zinc/92/74/53/1028927453.db2.gz NJWNKJKRVHBFIZ-SFHVURJKSA-N 1 0 311.356 3.508 20 10 DHCDRO Oc1c(C[NH2+]CCCNc2ccccn2)ccc2ccccc21 ZINC000816563400 1028944245 /nfs/dbraw/zinc/94/42/45/1028944245.db2.gz WUQRMYZNHVLTED-UHFFFAOYSA-N 1 0 307.397 3.532 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559261 1028944649 /nfs/dbraw/zinc/94/46/49/1028944649.db2.gz CSBHSAWMQNWVLS-CXAGYDPISA-N 1 0 311.381 3.740 20 10 DHCDRO Oc1c(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816568092 1028948313 /nfs/dbraw/zinc/94/83/13/1028948313.db2.gz WPWDVPFVQBDETR-SFHVURJKSA-N 1 0 311.425 3.794 20 10 DHCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816601347 1028956791 /nfs/dbraw/zinc/95/67/91/1028956791.db2.gz YJKGMNBHFQINMD-HXUWFJFHSA-N 1 0 321.420 3.985 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c(O)c1 ZINC000373253494 1028989749 /nfs/dbraw/zinc/98/97/49/1028989749.db2.gz ANRRJVUWVPUHED-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1F ZINC000817410265 1029151058 /nfs/dbraw/zinc/15/10/58/1029151058.db2.gz KOCYAHWEHRONRZ-UHFFFAOYSA-N 1 0 315.436 3.974 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817413576 1029152956 /nfs/dbraw/zinc/15/29/56/1029152956.db2.gz ZMVJGGXSTZQGOD-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817413575 1029153366 /nfs/dbraw/zinc/15/33/66/1029153366.db2.gz ZLMBCBZBKWFXEV-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000155431812 1029234825 /nfs/dbraw/zinc/23/48/25/1029234825.db2.gz RVSIBEFWENWEQU-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817938782 1029280587 /nfs/dbraw/zinc/28/05/87/1029280587.db2.gz SIIWKQFJUXCEKF-FZMZJTMJSA-N 1 0 323.893 3.818 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc2c(cc1O)CCCC2 ZINC000817956924 1029298525 /nfs/dbraw/zinc/29/85/25/1029298525.db2.gz FZWMHGZPVJTMOA-CQSZACIVSA-N 1 0 310.441 3.747 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C12CCCCC2 ZINC000817958701 1029298838 /nfs/dbraw/zinc/29/88/38/1029298838.db2.gz XNSKQRAKUWUGNE-MSOLQXFVSA-N 1 0 302.462 3.529 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000817967461 1029308844 /nfs/dbraw/zinc/30/88/44/1029308844.db2.gz JFLSMEOCWVJHDK-SGTLLEGYSA-N 1 0 312.413 3.711 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817977291 1029312962 /nfs/dbraw/zinc/31/29/62/1029312962.db2.gz GSSJNLUEVFUVKY-RNCFNFMXSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817975050 1029313156 /nfs/dbraw/zinc/31/31/56/1029313156.db2.gz IDZYZIYABDIUOB-LRDDRELGSA-N 1 0 312.413 3.927 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983045 1029321277 /nfs/dbraw/zinc/32/12/77/1029321277.db2.gz XPSJBNAMSMDWRA-UDZFHETQSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)oc3C)C2)cc1 ZINC000818220144 1029357166 /nfs/dbraw/zinc/35/71/66/1029357166.db2.gz GAILXCQFECRIAI-MRXNPFEDSA-N 1 0 314.429 3.521 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(C)CC3)C2)cc1 ZINC000818220896 1029357548 /nfs/dbraw/zinc/35/75/48/1029357548.db2.gz OBXXPVOUXXCRBY-CGZBRXJRSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccsc3)C2)cc1 ZINC000818344189 1029374658 /nfs/dbraw/zinc/37/46/58/1029374658.db2.gz KMGCXOWQWKTQTM-LSDHHAIUSA-N 1 0 316.470 3.934 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000818616140 1029419815 /nfs/dbraw/zinc/41/98/15/1029419815.db2.gz UBAPSOGQJZOHFS-BZHVJNSISA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000818616703 1029420048 /nfs/dbraw/zinc/42/00/48/1029420048.db2.gz ZTXZMXYWKMMIPC-XXILOJSOSA-N 1 0 303.233 3.620 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819076444 1029480603 /nfs/dbraw/zinc/48/06/03/1029480603.db2.gz CEAKVLQJGZQJAP-SFHVURJKSA-N 1 0 318.848 3.538 20 10 DHCDRO Cc1cc(CC[NH2+]C[C@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000785414167 1029889888 /nfs/dbraw/zinc/88/98/88/1029889888.db2.gz UALORAVIWHKKFT-QGZVFWFLSA-N 1 0 314.498 3.979 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000865666022 1029968617 /nfs/dbraw/zinc/96/86/17/1029968617.db2.gz ZFGHPORWMJZIQN-BGYRXZFFSA-N 1 0 324.468 3.574 20 10 DHCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)c1cccc(Cl)c1 ZINC000290281048 1029978546 /nfs/dbraw/zinc/97/85/46/1029978546.db2.gz ZDTRTJHNOKANBF-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO CCOCc1cc(C[NH2+]CC[C@@H]2CCCS2)ccc1OC ZINC000865725188 1029992500 /nfs/dbraw/zinc/99/25/00/1029992500.db2.gz UOHQDFYVLXFHJM-INIZCTEOSA-N 1 0 309.475 3.607 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CCSCCC(F)(F)F ZINC000865788208 1030025811 /nfs/dbraw/zinc/02/58/11/1030025811.db2.gz HZLSAZQRYWMELB-UHFFFAOYSA-N 1 0 313.772 3.821 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000865831929 1030046920 /nfs/dbraw/zinc/04/69/20/1030046920.db2.gz DKXBNASCKILFPF-CHWSQXEVSA-N 1 0 315.335 3.778 20 10 DHCDRO CO[C@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000822570103 1030064969 /nfs/dbraw/zinc/06/49/69/1030064969.db2.gz GOXBKGXTAWPFJN-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)ccc1OC ZINC000290585531 1030117631 /nfs/dbraw/zinc/11/76/31/1030117631.db2.gz UYAQRJJSZKVWRR-CEWLAPEOSA-N 1 0 323.436 3.660 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000822869997 1030154352 /nfs/dbraw/zinc/15/43/52/1030154352.db2.gz PGHBZQQHEBDIDO-AAEUAGOBSA-N 1 0 301.261 3.987 20 10 DHCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000120964816 1030177359 /nfs/dbraw/zinc/17/73/59/1030177359.db2.gz PEQQTCDIUJQRKB-MRXNPFEDSA-N 1 0 321.461 3.642 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(Cl)cc1O ZINC000841757966 1030194677 /nfs/dbraw/zinc/19/46/77/1030194677.db2.gz JKFUSURZRGJAHI-MWLCHTKSSA-N 1 0 303.880 3.545 20 10 DHCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](c2ccsc2)O1 ZINC000245942384 1030209470 /nfs/dbraw/zinc/20/94/70/1030209470.db2.gz KAVPSZNBLCOJHS-BZNIZROVSA-N 1 0 307.390 3.555 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C ZINC000291012003 1030287547 /nfs/dbraw/zinc/28/75/47/1030287547.db2.gz WXKDBDPPGYYPJR-ROUUACIJSA-N 1 0 301.430 3.543 20 10 DHCDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1O ZINC000866482672 1030319092 /nfs/dbraw/zinc/31/90/92/1030319092.db2.gz ZYBFHXKJQSEHJZ-SUMWQHHRSA-N 1 0 307.409 3.921 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC1([C@H]3CCCCO3)CCC1)CC2 ZINC000866480498 1030319600 /nfs/dbraw/zinc/31/96/00/1030319600.db2.gz FBOPZMSSDRFJLU-NVXWUHKLSA-N 1 0 301.430 3.709 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485262 1030322091 /nfs/dbraw/zinc/32/20/91/1030322091.db2.gz HSLVNMAOPMAACQ-QMTHXVAHSA-N 1 0 310.353 3.577 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000121107154 1030343848 /nfs/dbraw/zinc/34/38/48/1030343848.db2.gz OHPXZFXWMCYMKM-SFHVURJKSA-N 1 0 307.397 3.819 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c(O)c1 ZINC000866531965 1030351370 /nfs/dbraw/zinc/35/13/70/1030351370.db2.gz SYWGYNDAYWWBMY-CVEARBPZSA-N 1 0 303.446 3.866 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)ccc1O ZINC000866540272 1030358438 /nfs/dbraw/zinc/35/84/38/1030358438.db2.gz XNOQXELEQULUQZ-FFSVYQOJSA-N 1 0 309.837 3.759 20 10 DHCDRO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866568403 1030381560 /nfs/dbraw/zinc/38/15/60/1030381560.db2.gz ZKHQXSOUTZJQAO-HNNXBMFYSA-N 1 0 322.403 3.665 20 10 DHCDRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823730681 1030383608 /nfs/dbraw/zinc/38/36/08/1030383608.db2.gz ZBAVIIKRJSCZRN-HZPDHXFCSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1O ZINC000866572318 1030385317 /nfs/dbraw/zinc/38/53/17/1030385317.db2.gz AAFXMNPWBIZZGW-QGZVFWFLSA-N 1 0 309.413 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000866623188 1030411219 /nfs/dbraw/zinc/41/12/19/1030411219.db2.gz NSEXVHVZAHSTMX-BBRMVZONSA-N 1 0 305.418 3.543 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121198030 1030428484 /nfs/dbraw/zinc/42/84/84/1030428484.db2.gz HGGFKDKBWRVQNB-KRWDZBQOSA-N 1 0 320.358 3.947 20 10 DHCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824250302 1030512963 /nfs/dbraw/zinc/51/29/63/1030512963.db2.gz MHKDSHCMLITGDI-LSDHHAIUSA-N 1 0 318.486 3.898 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)c1O ZINC000291469569 1030515676 /nfs/dbraw/zinc/51/56/76/1030515676.db2.gz DTEDJPVREJDPQE-OAHLLOKOSA-N 1 0 307.434 3.570 20 10 DHCDRO COCc1csc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000824473839 1030560890 /nfs/dbraw/zinc/56/08/90/1030560890.db2.gz FJKQFYQPINHCDF-UHFFFAOYSA-N 1 0 304.459 3.593 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000824468038 1030568060 /nfs/dbraw/zinc/56/80/60/1030568060.db2.gz ASOKLOXVZNFUIK-INIZCTEOSA-N 1 0 301.361 3.707 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000824521785 1030574494 /nfs/dbraw/zinc/57/44/94/1030574494.db2.gz OHLPYZYQUIMASB-UHFFFAOYSA-N 1 0 309.837 3.563 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(OCC(C)C)CC2)cc1Cl ZINC000824602388 1030590309 /nfs/dbraw/zinc/59/03/09/1030590309.db2.gz XUGCYLNSZRUXJT-UHFFFAOYSA-N 1 0 311.853 3.991 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c(O)c1 ZINC000824714268 1030618981 /nfs/dbraw/zinc/61/89/81/1030618981.db2.gz AVMXGGMDPNFONK-WCQYABFASA-N 1 0 317.351 3.954 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824774268 1030633410 /nfs/dbraw/zinc/63/34/10/1030633410.db2.gz SCKAQABZOCSULW-NOZJJQNGSA-N 1 0 304.217 3.635 20 10 DHCDRO COC[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000824758674 1030638526 /nfs/dbraw/zinc/63/85/26/1030638526.db2.gz ZNKCMVGZWSUCSV-AWEZNQCLSA-N 1 0 323.795 3.705 20 10 DHCDRO COC[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000824758675 1030639530 /nfs/dbraw/zinc/63/95/30/1030639530.db2.gz ZNKCMVGZWSUCSV-CQSZACIVSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824798897 1030642258 /nfs/dbraw/zinc/64/22/58/1030642258.db2.gz IPLBXDUZQIZCAG-CZUORRHYSA-N 1 0 311.853 3.895 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)[C@@H](C)O ZINC000824921082 1030674334 /nfs/dbraw/zinc/67/43/34/1030674334.db2.gz DXKJHEONZGBIMQ-WQAKAFBOSA-N 1 0 305.340 3.611 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cc(F)ccc1O ZINC000292011647 1030756453 /nfs/dbraw/zinc/75/64/53/1030756453.db2.gz YUUMNXDAHMADOA-DINDLPBHSA-N 1 0 321.417 3.946 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000825245104 1030759749 /nfs/dbraw/zinc/75/97/49/1030759749.db2.gz FHLPCFYJLSHUAA-HIFRSBDPSA-N 1 0 317.351 3.613 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3nc(C)ncc32)cc1Cl ZINC000825279780 1030765209 /nfs/dbraw/zinc/76/52/09/1030765209.db2.gz XSPMQDVWJMLACN-HNNXBMFYSA-N 1 0 317.820 3.620 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@H]2OCC)ccc1OC ZINC000825300049 1030766547 /nfs/dbraw/zinc/76/65/47/1030766547.db2.gz UGHBYVVPPOXSLW-IEBWSBKVSA-N 1 0 321.461 3.669 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](CCO)c2ccccc2)cc1Cl ZINC000825297748 1030766818 /nfs/dbraw/zinc/76/68/18/1030766818.db2.gz MSVRYMVRFBCVGV-HNNXBMFYSA-N 1 0 319.832 3.610 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(C)o1 ZINC000825325516 1030774094 /nfs/dbraw/zinc/77/40/94/1030774094.db2.gz GWABNYVJVCRIJE-AWEZNQCLSA-N 1 0 309.793 3.733 20 10 DHCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825327757 1030777315 /nfs/dbraw/zinc/77/73/15/1030777315.db2.gz ZZLSMGMHEULAIW-ZDUSSCGKSA-N 1 0 311.834 3.547 20 10 DHCDRO OCC1([C@@H]([NH2+]Cc2cc(F)ccc2O)c2cccs2)CCC1 ZINC000825311842 1030784747 /nfs/dbraw/zinc/78/47/47/1030784747.db2.gz OQVPBIWBRUUXQJ-INIZCTEOSA-N 1 0 321.417 3.586 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000825359050 1030788145 /nfs/dbraw/zinc/78/81/45/1030788145.db2.gz XIKWPCIYQVBKGB-BBRMVZONSA-N 1 0 311.853 3.775 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)COC3)cc1Cl ZINC000825357405 1030788181 /nfs/dbraw/zinc/78/81/81/1030788181.db2.gz DVPSONBSSRQQIK-UHFFFAOYSA-N 1 0 303.789 3.674 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc2c(c1)COC2 ZINC001137027132 1030788800 /nfs/dbraw/zinc/78/88/00/1030788800.db2.gz DRGNBUMPWARPDY-UHFFFAOYSA-N 1 0 322.452 3.949 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000825391612 1030799563 /nfs/dbraw/zinc/79/95/63/1030799563.db2.gz YYGRKANWBWPHKI-QGZVFWFLSA-N 1 0 316.832 3.630 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1Cl ZINC000825404973 1030804962 /nfs/dbraw/zinc/80/49/62/1030804962.db2.gz ADIAUIWUXBIKGD-ZDUSSCGKSA-N 1 0 311.853 3.632 20 10 DHCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825406720 1030805003 /nfs/dbraw/zinc/80/50/03/1030805003.db2.gz YFCMTVGSDBEEAM-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926597584 1030818418 /nfs/dbraw/zinc/81/84/18/1030818418.db2.gz ZRYYIESGQMZGFL-SJORKVTESA-N 1 0 311.473 3.608 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825502118 1030829025 /nfs/dbraw/zinc/82/90/25/1030829025.db2.gz UKODNRCNWXOIPC-UHFFFAOYSA-N 1 0 314.429 3.725 20 10 DHCDRO COc1cc2c(cc1F)[nH+]ccc2N(C)Cc1ccccc1O ZINC000795117912 1031003348 /nfs/dbraw/zinc/00/33/48/1031003348.db2.gz AKANKQUOIRXEQT-UHFFFAOYSA-N 1 0 312.344 3.725 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c(O)c1C ZINC000926932406 1031005916 /nfs/dbraw/zinc/00/59/16/1031005916.db2.gz WZTSMHIMXHKWHR-ZDUSSCGKSA-N 1 0 316.470 3.848 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2O ZINC000926949754 1031012404 /nfs/dbraw/zinc/01/24/04/1031012404.db2.gz NSRCGPNFKCGLEK-PKIKSRDPSA-N 1 0 303.299 3.868 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c(O)c1C ZINC000927066734 1031065920 /nfs/dbraw/zinc/06/59/20/1031065920.db2.gz CZRCSSQKVMKWAF-PBHICJAKSA-N 1 0 301.434 3.790 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000927140593 1031114927 /nfs/dbraw/zinc/11/49/27/1031114927.db2.gz QZUSKDLCHBYHFZ-GFCCVEGCSA-N 1 0 314.429 3.981 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000292706000 1031134251 /nfs/dbraw/zinc/13/42/51/1031134251.db2.gz CWCXFAZBUAXGIT-UHFFFAOYSA-N 1 0 301.361 3.707 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC000322108963 1031201783 /nfs/dbraw/zinc/20/17/83/1031201783.db2.gz OCSBIDHZDPWDSP-IBGZPJMESA-N 1 0 310.441 3.626 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(N(C)C)cc3)c2c1 ZINC000034929043 1031326185 /nfs/dbraw/zinc/32/61/85/1031326185.db2.gz GVBHTPFWODAGFX-UHFFFAOYSA-N 1 0 323.440 3.575 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872024048 1031407424 /nfs/dbraw/zinc/40/74/24/1031407424.db2.gz XPKGAKYKWBNHBF-PKOBYXMFSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298542 1031437523 /nfs/dbraw/zinc/43/75/23/1031437523.db2.gz GEGKGTFCRXUQOH-SNVBAGLBSA-N 1 0 316.214 3.916 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2CC(Nc3ccccc3)C2)c1O ZINC000872132848 1031525063 /nfs/dbraw/zinc/52/50/63/1031525063.db2.gz IARRMMMNVXLYIO-IUDNXUCKSA-N 1 0 312.413 3.695 20 10 DHCDRO Oc1ccc(Br)cc1CNc1c[nH+]cc2cc[nH]c21 ZINC001171178418 1031558481 /nfs/dbraw/zinc/55/84/81/1031558481.db2.gz ZLMAADXTSXSHOP-UHFFFAOYSA-N 1 0 318.174 3.643 20 10 DHCDRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000124001393 1031561272 /nfs/dbraw/zinc/56/12/72/1031561272.db2.gz GXKGCPNTQHAHPC-INIZCTEOSA-N 1 0 322.456 3.843 20 10 DHCDRO CC(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000872799013 1031664437 /nfs/dbraw/zinc/66/44/37/1031664437.db2.gz WQCQNYIPPFEEBF-UHFFFAOYSA-N 1 0 303.446 3.799 20 10 DHCDRO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514855 1031672710 /nfs/dbraw/zinc/67/27/10/1031672710.db2.gz VDDYMVKKLDOSKN-FZKQIMNGSA-N 1 0 323.433 3.567 20 10 DHCDRO CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514856 1031673054 /nfs/dbraw/zinc/67/30/54/1031673054.db2.gz VDDYMVKKLDOSKN-SCLBCKFNSA-N 1 0 323.433 3.567 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873239075 1031770243 /nfs/dbraw/zinc/77/02/43/1031770243.db2.gz NHGIYOUUHSPSKF-DCAQKATOSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000845972467 1031789221 /nfs/dbraw/zinc/78/92/21/1031789221.db2.gz QUFRAJWKQYKZDY-CAOSSQGBSA-N 1 0 319.445 3.647 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000845972962 1031790025 /nfs/dbraw/zinc/79/00/25/1031790025.db2.gz SUOHTWQPTFDPIT-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO CC[C@@H](OCC[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000846018130 1031808415 /nfs/dbraw/zinc/80/84/15/1031808415.db2.gz IIMIPDJMRCPPFI-GOSISDBHSA-N 1 0 315.413 3.658 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)c1ccccc1O ZINC000846013579 1031809115 /nfs/dbraw/zinc/80/91/15/1031809115.db2.gz MUPSIFBFPPZXDI-ULFGMLNVSA-N 1 0 303.377 3.694 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c(O)c1 ZINC000846031848 1031822230 /nfs/dbraw/zinc/82/22/30/1031822230.db2.gz CPIMRHZMQPXTJY-LSDHHAIUSA-N 1 0 301.789 3.585 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)c2cc(F)ccc2O1 ZINC000846053312 1031844470 /nfs/dbraw/zinc/84/44/70/1031844470.db2.gz UPSDCFINADKZIE-OAHLLOKOSA-N 1 0 301.361 3.923 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000897882842 1031868115 /nfs/dbraw/zinc/86/81/15/1031868115.db2.gz WLMVSAKJOVJVCY-AULYBMBSSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846104840 1031876008 /nfs/dbraw/zinc/87/60/08/1031876008.db2.gz MRBKFNMVPGQJGS-CQSZACIVSA-N 1 0 317.763 3.675 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1O ZINC000846148213 1031882892 /nfs/dbraw/zinc/88/28/92/1031882892.db2.gz YDPKYPMUIYITPG-CQSZACIVSA-N 1 0 314.429 3.626 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1O ZINC000846154648 1031884912 /nfs/dbraw/zinc/88/49/12/1031884912.db2.gz OUJZJHVPQCMLLA-IYOUNJFTSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3ccc(Cl)cc32)c1O ZINC000846154722 1031885398 /nfs/dbraw/zinc/88/53/98/1031885398.db2.gz RLWLXFKDALVUJU-YGRLFVJLSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1O ZINC000846150278 1031885677 /nfs/dbraw/zinc/88/56/77/1031885677.db2.gz CSEPXAABAVJREE-NHYWBVRUSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846150443 1031886219 /nfs/dbraw/zinc/88/62/19/1031886219.db2.gz HKHUAEDFVCXXKK-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000846155090 1031886803 /nfs/dbraw/zinc/88/68/03/1031886803.db2.gz DLNRIRDKABBXEJ-HUUCEWRRSA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2(C)Cc3ccccc3C2)c1O ZINC000846159835 1031887315 /nfs/dbraw/zinc/88/73/15/1031887315.db2.gz RERMJEOTWCXJAH-AWEZNQCLSA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000846157881 1031887815 /nfs/dbraw/zinc/88/78/15/1031887815.db2.gz YMDJVMLZEUMSOU-KBPBESRZSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1ccc(C2([NH2+][C@@H](C)c3cccc(OC)c3O)CC2)cc1 ZINC000846161486 1031890274 /nfs/dbraw/zinc/89/02/74/1031890274.db2.gz DMONCYCRTXVMGL-ZDUSSCGKSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1ccc(C2([NH2+][C@H](C)c3cccc(OC)c3O)CC2)cc1 ZINC000846161485 1031890868 /nfs/dbraw/zinc/89/08/68/1031890868.db2.gz DMONCYCRTXVMGL-CYBMUJFWSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846167415 1031893465 /nfs/dbraw/zinc/89/34/65/1031893465.db2.gz JQGQQHUWABDEBX-LXTVHRRPSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)sc32)c1O ZINC000846165115 1031895185 /nfs/dbraw/zinc/89/51/85/1031895185.db2.gz MUTOECRYFDTABV-MFKMUULPSA-N 1 0 318.442 3.894 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(c3ccccc3OC)CC2)c1O ZINC000846172826 1031897104 /nfs/dbraw/zinc/89/71/04/1031897104.db2.gz MTAWUPXZJSQYPI-ZDUSSCGKSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)c1O ZINC000846143798 1031902899 /nfs/dbraw/zinc/90/28/99/1031902899.db2.gz HNBZOEIMEPQWPM-CYBMUJFWSA-N 1 0 315.388 3.922 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846142109 1031903179 /nfs/dbraw/zinc/90/31/79/1031903179.db2.gz XLMFSYMSKAOBBM-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2cccc(F)c2)c1O ZINC000846143696 1031903417 /nfs/dbraw/zinc/90/34/17/1031903417.db2.gz KICRVGVYUSYMEZ-CHWSQXEVSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2cccc(F)c2)c1O ZINC000846143702 1031903430 /nfs/dbraw/zinc/90/34/30/1031903430.db2.gz KICRVGVYUSYMEZ-STQMWFEESA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897997319 1031903641 /nfs/dbraw/zinc/90/36/41/1031903641.db2.gz BLZSGVQXDAWTNF-GOSISDBHSA-N 1 0 314.429 3.981 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)COc2ccccc2)c1O ZINC000846141095 1031903771 /nfs/dbraw/zinc/90/37/71/1031903771.db2.gz DFLXCLJMRPLECI-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000846141096 1031904530 /nfs/dbraw/zinc/90/45/30/1031904530.db2.gz DFLXCLJMRPLECI-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846144214 1031906190 /nfs/dbraw/zinc/90/61/90/1031906190.db2.gz LJRKKTGFOFUSKG-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1O ZINC000846146268 1031908584 /nfs/dbraw/zinc/90/85/84/1031908584.db2.gz OVSIPIUENUDZQV-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000846183349 1031917145 /nfs/dbraw/zinc/91/71/45/1031917145.db2.gz IAEGNYOZKYSGIR-DEYYWGMASA-N 1 0 301.430 3.993 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(O)c1C ZINC000846183489 1031917514 /nfs/dbraw/zinc/91/75/14/1031917514.db2.gz OTZXEBRGIZBYFR-SUNYJGFJSA-N 1 0 317.404 3.921 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846184487 1031917738 /nfs/dbraw/zinc/91/77/38/1031917738.db2.gz SENSKZWEOKGZMQ-VEVIJQCQSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1O ZINC000846189333 1031924919 /nfs/dbraw/zinc/92/49/19/1031924919.db2.gz SXLRXVSOJLRONA-DIFFPNOSSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846214756 1031931044 /nfs/dbraw/zinc/93/10/44/1031931044.db2.gz WHNQWKGQBDYCPB-AWEZNQCLSA-N 1 0 318.436 3.646 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000124720677 1031955832 /nfs/dbraw/zinc/95/58/32/1031955832.db2.gz JHGLGTMQVQPWSP-UHFFFAOYSA-N 1 0 320.458 3.889 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1Cl ZINC000825710734 1031966603 /nfs/dbraw/zinc/96/66/03/1031966603.db2.gz ZKUWQQWIAGCEQS-UHFFFAOYSA-N 1 0 316.832 3.918 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1 ZINC000877504117 1033328527 /nfs/dbraw/zinc/32/85/27/1033328527.db2.gz GYZWFNROHVWSCC-QGZVFWFLSA-N 1 0 318.848 3.747 20 10 DHCDRO CCOc1cccc(F)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000877533697 1033340820 /nfs/dbraw/zinc/34/08/20/1033340820.db2.gz QDJCDDDQPPGRLX-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(O)c1 ZINC000877548313 1033349719 /nfs/dbraw/zinc/34/97/19/1033349719.db2.gz VPHAMLLQUQBUCP-YVEFUNNKSA-N 1 0 303.427 3.554 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(O)c1 ZINC000877575962 1033366777 /nfs/dbraw/zinc/36/67/77/1033366777.db2.gz GBYNLMZNVPJESP-QGZVFWFLSA-N 1 0 317.454 3.756 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCO2 ZINC000126669384 1033415886 /nfs/dbraw/zinc/41/58/86/1033415886.db2.gz HLTTVZXCJDDQLR-AWEZNQCLSA-N 1 0 324.424 3.649 20 10 DHCDRO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(-c2ccnn2C)c1 ZINC000877703038 1033417519 /nfs/dbraw/zinc/41/75/19/1033417519.db2.gz PBBXJOVPROKRQS-UHFFFAOYSA-N 1 0 319.408 3.617 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000877730254 1033423450 /nfs/dbraw/zinc/42/34/50/1033423450.db2.gz SJXZRPFBVFIUJF-HKUYNNGSSA-N 1 0 311.425 3.698 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1O ZINC000877755865 1033432496 /nfs/dbraw/zinc/43/24/96/1033432496.db2.gz PMMIORSPZIXBGT-SNVBAGLBSA-N 1 0 311.303 3.967 20 10 DHCDRO COc1cc2c(c(C[NH2+][C@H](C)c3ccccc3O)c1)O[C@@H](C)C2 ZINC000877756610 1033435172 /nfs/dbraw/zinc/43/51/72/1033435172.db2.gz XQNVZKOGZHYDSU-QWHCGFSZSA-N 1 0 313.397 3.575 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000151438029 1033451694 /nfs/dbraw/zinc/45/16/94/1033451694.db2.gz ITARKWPPZAMTMP-QGZVFWFLSA-N 1 0 309.457 3.965 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(N2CCOCC2)cc1 ZINC000777159498 1033557428 /nfs/dbraw/zinc/55/74/28/1033557428.db2.gz ZFYGWRDPGJBRKW-PCQDHPLQSA-N 1 0 314.473 3.753 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000153144854 1033563631 /nfs/dbraw/zinc/56/36/31/1033563631.db2.gz CFCRXCXLMVHEKR-IRXDYDNUSA-N 1 0 302.462 3.754 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000878360365 1033673596 /nfs/dbraw/zinc/67/35/96/1033673596.db2.gz LZGACFYNVUXFRJ-CHWSQXEVSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000927099794 1033704647 /nfs/dbraw/zinc/70/46/47/1033704647.db2.gz PJUOKAAPWAWAGH-OLZOCXBDSA-N 1 0 307.434 3.645 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)C1Cc2cc(F)c(F)cc2C1 ZINC001173484768 1033741042 /nfs/dbraw/zinc/74/10/42/1033741042.db2.gz WIVNQNRFORUMQC-UHFFFAOYSA-N 1 0 303.352 3.660 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000826049737 1033749717 /nfs/dbraw/zinc/74/97/17/1033749717.db2.gz YJJYOJTZWURZMP-OIISXLGYSA-N 1 0 323.864 3.870 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000862242789 1033794528 /nfs/dbraw/zinc/79/45/28/1033794528.db2.gz QXWKKEMQBPZZBW-NSHDSACASA-N 1 0 322.202 3.737 20 10 DHCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC001173617257 1033805188 /nfs/dbraw/zinc/80/51/88/1033805188.db2.gz NYRYRVDMNOMBPV-ZTCUZBCZSA-N 1 0 317.429 3.555 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(F)c2C)cc1 ZINC000862272359 1033807319 /nfs/dbraw/zinc/80/73/19/1033807319.db2.gz NOBXATNEIDYVCD-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000862530494 1033875628 /nfs/dbraw/zinc/87/56/28/1033875628.db2.gz NPXSJGBZQZROMA-SFHVURJKSA-N 1 0 315.388 3.620 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)cc1F ZINC000862541690 1033882008 /nfs/dbraw/zinc/88/20/08/1033882008.db2.gz TVFYJLSGEBNGFF-HNNXBMFYSA-N 1 0 315.388 3.838 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCCc2nc3ccccc3n2C)cc1C ZINC000174414228 1033929257 /nfs/dbraw/zinc/92/92/57/1033929257.db2.gz JHIUEMIGWVGRNE-UHFFFAOYSA-N 1 0 323.440 3.618 20 10 DHCDRO COc1ccc(C[NH2+]C2(C3CCCCC3)CC2)c(O)c1OC ZINC000898463181 1034030978 /nfs/dbraw/zinc/03/09/78/1034030978.db2.gz VXWJSTISOUWFDY-UHFFFAOYSA-N 1 0 305.418 3.612 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccccc1O ZINC000879648939 1034071000 /nfs/dbraw/zinc/07/10/00/1034071000.db2.gz GSGWFYRSFYBIBM-LLVKDONJSA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649060 1034072379 /nfs/dbraw/zinc/07/23/79/1034072379.db2.gz KTGGKXBQVIAUDF-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647844 1034072557 /nfs/dbraw/zinc/07/25/57/1034072557.db2.gz NJVLNAPDCUKUNK-CQSZACIVSA-N 1 0 312.413 3.805 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000879652014 1034074304 /nfs/dbraw/zinc/07/43/04/1034074304.db2.gz TYXZGDYAPVWLMJ-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000879652013 1034074444 /nfs/dbraw/zinc/07/44/44/1034074444.db2.gz TYXZGDYAPVWLMJ-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826140177 1034181268 /nfs/dbraw/zinc/18/12/68/1034181268.db2.gz ZXYQRFSFPGCAJM-NSHDSACASA-N 1 0 313.825 3.503 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000178228976 1034220784 /nfs/dbraw/zinc/22/07/84/1034220784.db2.gz AGUSOLNBCFSTLW-AWEZNQCLSA-N 1 0 301.409 3.918 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000178529840 1034247596 /nfs/dbraw/zinc/24/75/96/1034247596.db2.gz UGBSCMAYQHWPCI-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1cccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1O ZINC000128380807 1034313379 /nfs/dbraw/zinc/31/33/79/1034313379.db2.gz XOCNEBJQJZVTDJ-INIZCTEOSA-N 1 0 315.438 3.691 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000179801080 1034335112 /nfs/dbraw/zinc/33/51/12/1034335112.db2.gz QOGOBORSORJDFX-UHFFFAOYSA-N 1 0 311.425 3.882 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183345495 1034378207 /nfs/dbraw/zinc/37/82/07/1034378207.db2.gz XOHSTVZLQYGUHD-AEFFLSMTSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000183445222 1034388710 /nfs/dbraw/zinc/38/87/10/1034388710.db2.gz YEUPDFNRLHTWFF-GJZGRUSLSA-N 1 0 314.404 3.708 20 10 DHCDRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183518083 1034397577 /nfs/dbraw/zinc/39/75/77/1034397577.db2.gz SOFOLKSRIJLRLL-IFXJQAMLSA-N 1 0 315.413 3.564 20 10 DHCDRO CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C)cc1O ZINC000794796572 1034468532 /nfs/dbraw/zinc/46/85/32/1034468532.db2.gz VIXPCBMQNRIPFW-KRWDZBQOSA-N 1 0 318.461 3.534 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000184715930 1034496578 /nfs/dbraw/zinc/49/65/78/1034496578.db2.gz CEIBSMWSWAIJKM-NSHDSACASA-N 1 0 306.793 3.642 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000184973168 1034516078 /nfs/dbraw/zinc/51/60/78/1034516078.db2.gz OJFZQCJEBSGOIV-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000185009500 1034518446 /nfs/dbraw/zinc/51/84/46/1034518446.db2.gz PQBXJPBPKNAYEB-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794814538 1034519683 /nfs/dbraw/zinc/51/96/83/1034519683.db2.gz LSMCSPIFRFQDJH-UKRRQHHQSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(C)cc1O ZINC000794812732 1034519957 /nfs/dbraw/zinc/51/99/57/1034519957.db2.gz FHUGWXIHZMRMQN-MJGOQNOKSA-N 1 0 313.441 3.653 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000185099589 1034526514 /nfs/dbraw/zinc/52/65/14/1034526514.db2.gz SYDNWBZIXBVFSF-JTQLQIEISA-N 1 0 305.761 3.625 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185122418 1034531248 /nfs/dbraw/zinc/53/12/48/1034531248.db2.gz LCCIKBYBRYGDGU-HBUDHLSFSA-N 1 0 323.436 3.580 20 10 DHCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000185475280 1034550837 /nfs/dbraw/zinc/55/08/37/1034550837.db2.gz SUHKZQUPSSCLES-MCMMXHMISA-N 1 0 319.470 3.743 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)c1 ZINC000185661092 1034564035 /nfs/dbraw/zinc/56/40/35/1034564035.db2.gz BWOFTOUBBCHHRD-KDOFPFPSSA-N 1 0 314.429 3.886 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000185669930 1034566079 /nfs/dbraw/zinc/56/60/79/1034566079.db2.gz KZVFGLQKWAOGKC-MWLCHTKSSA-N 1 0 303.880 3.545 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839691 1034576705 /nfs/dbraw/zinc/57/67/05/1034576705.db2.gz PBGDQWPWDJUWQK-MKBNYLNASA-N 1 0 321.442 3.625 20 10 DHCDRO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000185918151 1034584626 /nfs/dbraw/zinc/58/46/26/1034584626.db2.gz OEKMONIUEYOSQC-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1O ZINC000186010610 1034592435 /nfs/dbraw/zinc/59/24/35/1034592435.db2.gz ZOJGSVCXVXHYAS-ZUZCIYMTSA-N 1 0 305.324 3.845 20 10 DHCDRO CSC1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000186080872 1034598546 /nfs/dbraw/zinc/59/85/46/1034598546.db2.gz OTHIGABNRXOROS-LLVKDONJSA-N 1 0 315.866 3.608 20 10 DHCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000186131064 1034602042 /nfs/dbraw/zinc/60/20/42/1034602042.db2.gz WNNJUJFPCCLOJP-OCCSQVGLSA-N 1 0 309.413 3.859 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2nc(C)cs2)c1 ZINC000186565935 1034644066 /nfs/dbraw/zinc/64/40/66/1034644066.db2.gz ZJGXTCXVCJCKJD-PWSUYJOCSA-N 1 0 306.431 3.620 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(F)ccc1O ZINC000186610223 1034650376 /nfs/dbraw/zinc/65/03/76/1034650376.db2.gz SDHDAZSXMRAHSR-GFCCVEGCSA-N 1 0 303.377 3.610 20 10 DHCDRO CCSc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccn1 ZINC000187792255 1034734072 /nfs/dbraw/zinc/73/40/72/1034734072.db2.gz FGFIXYILQHFYJI-LLVKDONJSA-N 1 0 306.406 3.889 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(Cl)c1 ZINC001175419214 1034974683 /nfs/dbraw/zinc/97/46/83/1034974683.db2.gz TYKRBLFPYCIJHK-NWDGAFQWSA-N 1 0 318.804 3.723 20 10 DHCDRO O=C1c2cccc(Nc3[nH]cc[nH+]3)c2C(=O)c2cccc(Cl)c21 ZINC001176084824 1035192700 /nfs/dbraw/zinc/19/27/00/1035192700.db2.gz FILLYNZPSCIAPT-UHFFFAOYSA-N 1 0 323.739 3.582 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000691682292 1035327517 /nfs/dbraw/zinc/32/75/17/1035327517.db2.gz OZPKKVQMHYXIAP-NSHDSACASA-N 1 0 316.214 3.726 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001177416149 1035369922 /nfs/dbraw/zinc/36/99/22/1035369922.db2.gz IJQYVGWXIJFBRC-UHFFFAOYSA-N 1 0 314.385 3.982 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)CN2CCC[C@@H](C)C2)cc1C ZINC001177476193 1035371601 /nfs/dbraw/zinc/37/16/01/1035371601.db2.gz YXAQIHRHEYPHBL-SJLPKXTDSA-N 1 0 318.505 3.994 20 10 DHCDRO c1ccc2c(c1)CCO[C@@H]2C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177816322 1035390917 /nfs/dbraw/zinc/39/09/17/1035390917.db2.gz KLJVGBRVXQLGMD-OAQYLSRUSA-N 1 0 322.452 3.690 20 10 DHCDRO c1cc2c(cc1C[NH2+]CCOC1CCCCCC1)CCCO2 ZINC001177875551 1035394717 /nfs/dbraw/zinc/39/47/17/1035394717.db2.gz LQOUTYHIHREECV-UHFFFAOYSA-N 1 0 303.446 3.841 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1ccc(Cl)nc1 ZINC001177981481 1035405035 /nfs/dbraw/zinc/40/50/35/1035405035.db2.gz MIYTZVJXZLLHIJ-UHFFFAOYSA-N 1 0 313.832 3.867 20 10 DHCDRO CCOc1cccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC001178231633 1035418355 /nfs/dbraw/zinc/41/83/55/1035418355.db2.gz GVMOJUDFUGDZON-SOFGYWHQSA-N 1 0 324.468 3.997 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(O)c(C(C)(C)C)c1 ZINC001178546500 1035435265 /nfs/dbraw/zinc/43/52/65/1035435265.db2.gz UFBMFKMYHOXDGL-CQSZACIVSA-N 1 0 321.461 3.746 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c(O)c1 ZINC000905006650 1035475428 /nfs/dbraw/zinc/47/54/28/1035475428.db2.gz QEVZOVDMTZUCJN-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1F ZINC001179608273 1035485589 /nfs/dbraw/zinc/48/55/89/1035485589.db2.gz WRKRUGSVXWGUML-KRWDZBQOSA-N 1 0 302.368 3.808 20 10 DHCDRO CN1CC[C@@H]1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001179645093 1035486642 /nfs/dbraw/zinc/48/66/42/1035486642.db2.gz GLZNFIPSAYSZLO-MRXNPFEDSA-N 1 0 318.505 3.781 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000773832776 1035510159 /nfs/dbraw/zinc/51/01/59/1035510159.db2.gz PVJYFDJWNFHYLE-IBGZPJMESA-N 1 0 309.457 3.602 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775585111 1035596247 /nfs/dbraw/zinc/59/62/47/1035596247.db2.gz DBVNLLTWBOFCME-IPELMVKDSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1C ZINC000905678870 1035612194 /nfs/dbraw/zinc/61/21/94/1035612194.db2.gz SMPBHVHMLVGTFO-CQSZACIVSA-N 1 0 317.326 3.875 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000773846968 1035637542 /nfs/dbraw/zinc/63/75/42/1035637542.db2.gz MJSGGXGHWJWFQC-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001180372836 1035667508 /nfs/dbraw/zinc/66/75/08/1035667508.db2.gz ZSQZULAVEFLZGV-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000773862459 1035705232 /nfs/dbraw/zinc/70/52/32/1035705232.db2.gz YVRZWMVPQHFKQR-NRFANRHFSA-N 1 0 322.452 3.774 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000773888875 1035803912 /nfs/dbraw/zinc/80/39/12/1035803912.db2.gz RUEUMANBVRGRBZ-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(C(C)C)ccc2O)o1 ZINC001181498098 1035927827 /nfs/dbraw/zinc/92/78/27/1035927827.db2.gz RSDLSLFRUDCIQI-UHFFFAOYSA-N 1 0 317.385 3.575 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1(F)F ZINC001233452426 1036008647 /nfs/dbraw/zinc/00/86/47/1036008647.db2.gz WDQWSJUDGXDONV-VIFPVBQESA-N 1 0 309.278 3.888 20 10 DHCDRO C[Si](C)(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001181861440 1036020136 /nfs/dbraw/zinc/02/01/36/1036020136.db2.gz SORWTZLWAOMUQJ-UHFFFAOYSA-N 1 0 319.908 3.881 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000101601330 1036119763 /nfs/dbraw/zinc/11/97/63/1036119763.db2.gz KDIOLDHVOLVNCF-UHFFFAOYSA-N 1 0 300.358 3.510 20 10 DHCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775632879 1036122962 /nfs/dbraw/zinc/12/29/62/1036122962.db2.gz CRLKXQFQEZNMHO-HXUWFJFHSA-N 1 0 315.505 3.591 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)ncn2C ZINC000775636421 1036131304 /nfs/dbraw/zinc/13/13/04/1036131304.db2.gz BIGAWNNVMCRCPY-UHFFFAOYSA-N 1 0 322.456 3.661 20 10 DHCDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774110589 1036170697 /nfs/dbraw/zinc/17/06/97/1036170697.db2.gz DMQDNXIXKFSSRO-NSHDSACASA-N 1 0 317.260 3.836 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000774113152 1036171914 /nfs/dbraw/zinc/17/19/14/1036171914.db2.gz XTZOTMUGSFEAES-INIZCTEOSA-N 1 0 322.456 3.721 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC001182297743 1036190911 /nfs/dbraw/zinc/19/09/11/1036190911.db2.gz FZUAFZNONGNUSM-OAHLLOKOSA-N 1 0 307.434 3.858 20 10 DHCDRO COc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)c(O)c1OC ZINC001182332351 1036233631 /nfs/dbraw/zinc/23/36/31/1036233631.db2.gz BZMGRUHRBWSULT-SFHVURJKSA-N 1 0 319.445 3.810 20 10 DHCDRO CCC[N@H+](Cc1ccccc1F)Cc1cc(OC)ccc1O ZINC000775653610 1036236473 /nfs/dbraw/zinc/23/64/73/1036236473.db2.gz KGGSLYWLPFVXRY-UHFFFAOYSA-N 1 0 303.377 3.952 20 10 DHCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001182343725 1036241181 /nfs/dbraw/zinc/24/11/81/1036241181.db2.gz GIWRCJXNUPHZFN-UKRRQHHQSA-N 1 0 301.789 3.622 20 10 DHCDRO Cc1cccc(C[N@H+](C)CCCOc2ccc(F)cc2)c1O ZINC000775656683 1036244467 /nfs/dbraw/zinc/24/44/67/1036244467.db2.gz ZASQLFKLIPEAPZ-UHFFFAOYSA-N 1 0 303.377 3.741 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775657736 1036261335 /nfs/dbraw/zinc/26/13/35/1036261335.db2.gz GYZRRGBUTOFKBE-SFHVURJKSA-N 1 0 321.424 3.924 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1C ZINC000774381545 1036305842 /nfs/dbraw/zinc/30/58/42/1036305842.db2.gz YPRMSHQROYBRLU-RDJZCZTQSA-N 1 0 302.462 3.677 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000774379359 1036307904 /nfs/dbraw/zinc/30/79/04/1036307904.db2.gz OMPHMSHZAAHGKM-PMACEKPBSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000775668037 1036313823 /nfs/dbraw/zinc/31/38/23/1036313823.db2.gz QPHKBOGWKRKWCT-UHFFFAOYSA-N 1 0 322.880 3.804 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001182543763 1036382387 /nfs/dbraw/zinc/38/23/87/1036382387.db2.gz NHPPCOVZJBIRDE-UHFFFAOYSA-N 1 0 319.445 3.644 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC1(C)C ZINC001182856111 1036468722 /nfs/dbraw/zinc/46/87/22/1036468722.db2.gz SAQJTXIKZHZLKZ-QGTPRVQTSA-N 1 0 302.462 3.688 20 10 DHCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001183065844 1036515913 /nfs/dbraw/zinc/51/59/13/1036515913.db2.gz QGYYDXPAIZHUSI-IEBWSBKVSA-N 1 0 319.445 3.727 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000775713911 1036524751 /nfs/dbraw/zinc/52/47/51/1036524751.db2.gz LMHZKZBZGWGMHR-UKRRQHHQSA-N 1 0 315.388 3.918 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC001183238552 1036545358 /nfs/dbraw/zinc/54/53/58/1036545358.db2.gz NZJGPPSVNMADSX-GOSISDBHSA-N 1 0 302.462 3.622 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC001183696091 1036652625 /nfs/dbraw/zinc/65/26/25/1036652625.db2.gz JEXVKVCKJSUQTD-MRXNPFEDSA-N 1 0 318.505 3.762 20 10 DHCDRO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001183866114 1036699982 /nfs/dbraw/zinc/69/99/82/1036699982.db2.gz XULYVESJIYNOEN-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCCC1 ZINC001184217322 1036771795 /nfs/dbraw/zinc/77/17/95/1036771795.db2.gz DTFBNFMJTVYVHY-OXQOHEQNSA-N 1 0 317.521 3.914 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000762503131 1036800402 /nfs/dbraw/zinc/80/04/02/1036800402.db2.gz JBYZVZGACYECJF-MGPUTAFESA-N 1 0 312.457 3.917 20 10 DHCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)c(O)c1OC ZINC001184351518 1036822284 /nfs/dbraw/zinc/82/22/84/1036822284.db2.gz QFYLGRLDJDSZJK-OAHLLOKOSA-N 1 0 319.445 3.812 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000152061682 1036835562 /nfs/dbraw/zinc/83/55/62/1036835562.db2.gz BOCJPIGFSFORBT-CQSZACIVSA-N 1 0 312.413 3.722 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccnc(OC)c2)cc1 ZINC000762920432 1037067761 /nfs/dbraw/zinc/06/77/61/1037067761.db2.gz XCOCDBMMMODQFA-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC001326116488 1037108581 /nfs/dbraw/zinc/10/85/81/1037108581.db2.gz QXHPZRXHDIPVQL-GHMZBOCLSA-N 1 0 313.825 3.817 20 10 DHCDRO COc1ccc(OCCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC001199678903 1037305911 /nfs/dbraw/zinc/30/59/11/1037305911.db2.gz RSMVBXITSRYZNO-UHFFFAOYSA-N 1 0 321.804 3.613 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1O ZINC000776012705 1037306138 /nfs/dbraw/zinc/30/61/38/1037306138.db2.gz ACSLXBYAKUCTFK-FQEVSTJZSA-N 1 0 309.409 3.722 20 10 DHCDRO Cc1cc(C)cc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001199709251 1037312431 /nfs/dbraw/zinc/31/24/31/1037312431.db2.gz VPJPTKYDEMPSQH-UHFFFAOYSA-N 1 0 311.425 3.797 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(C)C)c1 ZINC000776037137 1037373148 /nfs/dbraw/zinc/37/31/48/1037373148.db2.gz CWAKUBMQEMSDOR-UHFFFAOYSA-N 1 0 315.413 3.725 20 10 DHCDRO CCO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000775026977 1037431275 /nfs/dbraw/zinc/43/12/75/1037431275.db2.gz CSJWARICODTWTO-QGZVFWFLSA-N 1 0 305.805 3.913 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccccc1O ZINC000156075268 1037455317 /nfs/dbraw/zinc/45/53/17/1037455317.db2.gz RERXDGCSHWSCDT-KSSFIOAISA-N 1 0 315.413 3.909 20 10 DHCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152871954 1037624104 /nfs/dbraw/zinc/62/41/04/1037624104.db2.gz NMBQHEKNZDYORH-GDBMZVCRSA-N 1 0 308.441 3.892 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C12CCCCC2 ZINC000776178026 1037652782 /nfs/dbraw/zinc/65/27/82/1037652782.db2.gz YKBKVLFRIQNTPJ-SJORKVTESA-N 1 0 319.445 3.618 20 10 DHCDRO COc1ccccc1-c1cc(C[NH2+][C@H](C)c2ccccc2O)on1 ZINC000775130445 1037657223 /nfs/dbraw/zinc/65/72/23/1037657223.db2.gz KWCFCBXRXASQHI-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000776166605 1037665830 /nfs/dbraw/zinc/66/58/30/1037665830.db2.gz CWZUGQKNFKROTR-INIZCTEOSA-N 1 0 312.457 3.528 20 10 DHCDRO C[C@H](CCO)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000776168474 1037671241 /nfs/dbraw/zinc/67/12/41/1037671241.db2.gz OYGVYENOBOCMDC-HZPDHXFCSA-N 1 0 304.478 3.592 20 10 DHCDRO CCCN(Cc1occc1Br)c1ccc(C[NH3+])cc1 ZINC000775140339 1037707886 /nfs/dbraw/zinc/70/78/86/1037707886.db2.gz MCIDAYWHRPCZPR-UHFFFAOYSA-N 1 0 323.234 3.917 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000775140671 1037703948 /nfs/dbraw/zinc/70/39/48/1037703948.db2.gz PMFSMHGKEWRVMG-INIZCTEOSA-N 1 0 314.477 3.770 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)Cc1ccn(C(C)C)n1 ZINC000775140672 1037704595 /nfs/dbraw/zinc/70/45/95/1037704595.db2.gz PMFSMHGKEWRVMG-MRXNPFEDSA-N 1 0 314.477 3.770 20 10 DHCDRO CCCN(Cc1c(C)cc(OC)nc1C)c1ccc(C[NH3+])cc1 ZINC000775140203 1037707219 /nfs/dbraw/zinc/70/72/19/1037707219.db2.gz KPYRIAZTQPZRIF-UHFFFAOYSA-N 1 0 313.445 3.582 20 10 DHCDRO CCOc1ccc(N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC001201671077 1037821963 /nfs/dbraw/zinc/82/19/63/1037821963.db2.gz AACUPPLWAULVDH-UHFFFAOYSA-N 1 0 324.468 3.840 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3c(O)cccc3Cl)nc21 ZINC000776217897 1037920167 /nfs/dbraw/zinc/92/01/67/1037920167.db2.gz BWPINWNSFDGLML-UHFFFAOYSA-N 1 0 316.788 3.828 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776231121 1037982696 /nfs/dbraw/zinc/98/26/96/1037982696.db2.gz MJBWINNTLUBCAF-QGZVFWFLSA-N 1 0 319.832 3.701 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CCCCCCC1 ZINC000916838661 1037991045 /nfs/dbraw/zinc/99/10/45/1037991045.db2.gz ORRUJCCBZANSEC-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000776232149 1038004298 /nfs/dbraw/zinc/00/42/98/1038004298.db2.gz SJQRYVQOHIQJKU-WCQYABFASA-N 1 0 317.351 3.859 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000153017809 1038043088 /nfs/dbraw/zinc/04/30/88/1038043088.db2.gz VQGXRHMOMDSCMD-GOSISDBHSA-N 1 0 318.486 3.592 20 10 DHCDRO COC[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164331925 1038154539 /nfs/dbraw/zinc/15/45/39/1038154539.db2.gz PZZGQROXSVFQDN-AWEZNQCLSA-N 1 0 321.461 3.557 20 10 DHCDRO COC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164332040 1038155889 /nfs/dbraw/zinc/15/58/89/1038155889.db2.gz PZZGQROXSVFQDN-CQSZACIVSA-N 1 0 321.461 3.557 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000775360236 1038272582 /nfs/dbraw/zinc/27/25/82/1038272582.db2.gz BDHSLIXBCPJANO-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000775365804 1038279720 /nfs/dbraw/zinc/27/97/20/1038279720.db2.gz XSDVKZHKLIRAMW-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)c2nccn2C)c(C)n1-c1ccccc1 ZINC000775365176 1038280158 /nfs/dbraw/zinc/28/01/58/1038280158.db2.gz OOIQMNOMUIEPKP-INIZCTEOSA-N 1 0 322.456 3.721 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2Cl)c1 ZINC000775373172 1038293981 /nfs/dbraw/zinc/29/39/81/1038293981.db2.gz OQMKGCBESOLHKC-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO CC1(C)OC[C@H](CC[N@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC001190905187 1038407221 /nfs/dbraw/zinc/40/72/21/1038407221.db2.gz WUJHRZHQNDEIAE-KRWDZBQOSA-N 1 0 319.445 3.678 20 10 DHCDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1O ZINC000775485343 1038551918 /nfs/dbraw/zinc/55/19/18/1038551918.db2.gz RCTXCRFXIQBGNX-INIZCTEOSA-N 1 0 308.853 3.713 20 10 DHCDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001191908510 1038560743 /nfs/dbraw/zinc/56/07/43/1038560743.db2.gz CAVOVQBBAICMGV-HXUWFJFHSA-N 1 0 316.489 3.924 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000775496808 1038579894 /nfs/dbraw/zinc/57/98/94/1038579894.db2.gz LTRVJKFENWLLGP-QAPCUYQASA-N 1 0 310.441 3.884 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775500638 1038589827 /nfs/dbraw/zinc/58/98/27/1038589827.db2.gz VSIFYZQOGHGQEL-IBGZPJMESA-N 1 0 321.424 3.861 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510059 1038592527 /nfs/dbraw/zinc/59/25/27/1038592527.db2.gz UTZRCFOAFWITJE-ZFWWWQNUSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1O ZINC000775508146 1038599329 /nfs/dbraw/zinc/59/93/29/1038599329.db2.gz SAIRODOBEUDZIP-OAHLLOKOSA-N 1 0 306.793 3.560 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775514017 1038608563 /nfs/dbraw/zinc/60/85/63/1038608563.db2.gz QRSOAODLOFPIOV-HOTGVXAUSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1O ZINC000775521990 1038624204 /nfs/dbraw/zinc/62/42/04/1038624204.db2.gz GVCHHDDLOHFAQR-CQSZACIVSA-N 1 0 324.783 3.699 20 10 DHCDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1O ZINC000775539375 1038686926 /nfs/dbraw/zinc/68/69/26/1038686926.db2.gz CHLCLVORBFEUEW-HNNXBMFYSA-N 1 0 311.381 3.851 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccccc1O ZINC000775552015 1038709659 /nfs/dbraw/zinc/70/96/59/1038709659.db2.gz RGQDYKSHHPFEQJ-RHSMWYFYSA-N 1 0 303.402 3.674 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000171378108 1039456561 /nfs/dbraw/zinc/45/65/61/1039456561.db2.gz VCMDGOISAYGJDC-HNNXBMFYSA-N 1 0 310.441 3.928 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 ZINC000171380914 1039456739 /nfs/dbraw/zinc/45/67/39/1039456739.db2.gz JLTQLYNGOUMMPW-HNNXBMFYSA-N 1 0 322.452 3.855 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000226588008 1039727114 /nfs/dbraw/zinc/72/71/14/1039727114.db2.gz JPAXDSXQZGZDCU-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CC[C@H]([NH2+]CCOC(C)C)c1cc(Br)ccc1O ZINC000157982991 1039745393 /nfs/dbraw/zinc/74/53/93/1039745393.db2.gz HYESJQKQNNNBQW-ZDUSSCGKSA-N 1 0 316.239 3.620 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158094899 1039943235 /nfs/dbraw/zinc/94/32/35/1039943235.db2.gz BXVWGSBEIQNPFN-HZPDHXFCSA-N 1 0 318.436 3.669 20 10 DHCDRO CCSCC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169089893 1040303490 /nfs/dbraw/zinc/30/34/90/1040303490.db2.gz IQLACIYJHNLYLB-JTQLQIEISA-N 1 0 303.855 3.676 20 10 DHCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1O ZINC000231751360 1040392799 /nfs/dbraw/zinc/39/27/99/1040392799.db2.gz SNQGYCLKLSOERI-ZETCQYMHSA-N 1 0 312.129 3.585 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1O ZINC000761203931 1040577441 /nfs/dbraw/zinc/57/74/41/1040577441.db2.gz ZMHGWUAKQYWEQJ-MRXNPFEDSA-N 1 0 317.816 3.871 20 10 DHCDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371143 1040606285 /nfs/dbraw/zinc/60/62/85/1040606285.db2.gz SJBNZULRHMIMCQ-PXAZEXFGSA-N 1 0 304.821 3.788 20 10 DHCDRO CCC(CC)[N@H+](CCOC)Cc1cc(Cl)cc(OC)c1O ZINC000228629710 1041017340 /nfs/dbraw/zinc/01/73/40/1041017340.db2.gz HNRKLUMLGJXVAJ-UHFFFAOYSA-N 1 0 315.841 3.691 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(Cl)cc2)c1O ZINC000076274298 191608619 /nfs/dbraw/zinc/60/86/19/191608619.db2.gz UHGLLEGVUULAGK-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1 ZINC000093316100 193230134 /nfs/dbraw/zinc/23/01/34/193230134.db2.gz UTHDLDJVHMBEJH-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000093365100 193239887 /nfs/dbraw/zinc/23/98/87/193239887.db2.gz CUCQKHFATGSUFT-CQSZACIVSA-N 1 0 318.442 3.675 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c(C)s1 ZINC000042880027 183316961 /nfs/dbraw/zinc/31/69/61/183316961.db2.gz HZDOSJKHJVXPDO-SNVBAGLBSA-N 1 0 305.399 3.650 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000271464049 129918901 /nfs/dbraw/zinc/91/89/01/129918901.db2.gz IBICNWFBGBOFRJ-NJSLBKSFSA-N 1 0 316.420 3.664 20 10 DHCDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000272460580 130033124 /nfs/dbraw/zinc/03/31/24/130033124.db2.gz QPSLFBNAEKVPAC-QGZVFWFLSA-N 1 0 321.424 3.715 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1O ZINC000272875606 130070821 /nfs/dbraw/zinc/07/08/21/130070821.db2.gz POUVPNGPSABCFO-HNNXBMFYSA-N 1 0 311.429 3.628 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c(O)c1C ZINC000273297208 130103861 /nfs/dbraw/zinc/10/38/61/130103861.db2.gz AIKJDBBRBVOQRO-CXAGYDPISA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000273365945 130112212 /nfs/dbraw/zinc/11/22/12/130112212.db2.gz FCDGJBMAJHVBQI-HZMBPMFUSA-N 1 0 305.809 3.507 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000273388767 130115579 /nfs/dbraw/zinc/11/55/79/130115579.db2.gz KDNOZVPVKVYSCU-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1C ZINC000273401819 130117083 /nfs/dbraw/zinc/11/70/83/130117083.db2.gz NGZWXYITTULHFV-HNNXBMFYSA-N 1 0 309.413 3.550 20 10 DHCDRO COCC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000273401102 130117250 /nfs/dbraw/zinc/11/72/50/130117250.db2.gz GLJCRPJKBMZWHM-WFASDCNBSA-N 1 0 307.365 3.861 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273449252 130123834 /nfs/dbraw/zinc/12/38/34/130123834.db2.gz FRCQZWBXELFEMP-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500986 130129842 /nfs/dbraw/zinc/12/98/42/130129842.db2.gz QDFBMKMUESISND-LSDHHAIUSA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1C ZINC000273539512 130133211 /nfs/dbraw/zinc/13/32/11/130133211.db2.gz XZVBDJVUIZNOGL-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273532206 130133798 /nfs/dbraw/zinc/13/37/98/130133798.db2.gz WRQGGUPRQUMEHZ-KFWWJZLASA-N 1 0 303.446 3.737 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000274901762 130271414 /nfs/dbraw/zinc/27/14/14/130271414.db2.gz LJVWEMZSUBEBDE-HNNXBMFYSA-N 1 0 300.358 3.584 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000282730060 130938136 /nfs/dbraw/zinc/93/81/36/130938136.db2.gz MNEHYPWWHRJNHF-QAPCUYQASA-N 1 0 302.462 3.753 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1 ZINC000284069372 131046190 /nfs/dbraw/zinc/04/61/90/131046190.db2.gz LEVCVHYVOZVHME-DYVFJYSZSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1nc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)sc1C ZINC000284949497 131125920 /nfs/dbraw/zinc/12/59/20/131125920.db2.gz FBIODYUTKZKNLD-CYBMUJFWSA-N 1 0 304.459 3.976 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000285109772 131139003 /nfs/dbraw/zinc/13/90/03/131139003.db2.gz KRVTYBASXCJTCO-CQSZACIVSA-N 1 0 313.397 3.631 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000285571703 131182111 /nfs/dbraw/zinc/18/21/11/131182111.db2.gz UHIOOLBSMYHNOF-NSHDSACASA-N 1 0 322.355 3.705 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286138805 131221412 /nfs/dbraw/zinc/22/14/12/131221412.db2.gz OUIMVYOLLVCSRO-YOEHRIQHSA-N 1 0 308.441 3.692 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286733556 131248425 /nfs/dbraw/zinc/24/84/25/131248425.db2.gz HIWHRDRVGXZXEU-SFHVURJKSA-N 1 0 318.848 3.619 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000286939549 131256218 /nfs/dbraw/zinc/25/62/18/131256218.db2.gz GTXPJZGRMKCMHK-MEDUHNTESA-N 1 0 323.795 3.959 20 10 DHCDRO COCCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000287342707 131276099 /nfs/dbraw/zinc/27/60/99/131276099.db2.gz GLIRREZACROEBG-HNNXBMFYSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000287641197 131292299 /nfs/dbraw/zinc/29/22/99/131292299.db2.gz UQBVSLBETXUULX-JKIFEVAISA-N 1 0 303.446 3.594 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2O)c(C)c1OC ZINC000288565038 131331254 /nfs/dbraw/zinc/33/12/54/131331254.db2.gz ZDWUYWNREVAOOU-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)COCC(F)(F)F)c1ccccc1O ZINC000295196774 131889222 /nfs/dbraw/zinc/88/92/22/131889222.db2.gz YAZYIVOLWMCXBW-WCQYABFASA-N 1 0 305.340 3.790 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000297229027 132005245 /nfs/dbraw/zinc/00/52/45/132005245.db2.gz HSTRIKOUSBVDPZ-NWDGAFQWSA-N 1 0 305.340 3.709 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000297386599 132013215 /nfs/dbraw/zinc/01/32/15/132013215.db2.gz RKXNCHIWIZFMHW-MWLCHTKSSA-N 1 0 309.303 3.539 20 10 DHCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297534136 132021146 /nfs/dbraw/zinc/02/11/46/132021146.db2.gz PKVGKLYRVXAENR-INIZCTEOSA-N 1 0 304.478 3.780 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000297861669 132037413 /nfs/dbraw/zinc/03/74/13/132037413.db2.gz UEHBYKVZNVMTDU-CABCVRRESA-N 1 0 301.386 3.512 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)c2ccccc2n1 ZINC000297890535 132039288 /nfs/dbraw/zinc/03/92/88/132039288.db2.gz VNDLHEDSNPFXBS-KRWDZBQOSA-N 1 0 320.392 3.726 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](CCc1cn[nH]c1)Cc1ccccc1O ZINC000298553892 132067778 /nfs/dbraw/zinc/06/77/78/132067778.db2.gz VBSIRRVSRIRJOH-MRXNPFEDSA-N 1 0 321.424 3.921 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000074336382 331671045 /nfs/dbraw/zinc/67/10/45/331671045.db2.gz QRHLRRDFLABROL-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](CCCO)c2ccccc2)ccc1N(C)C ZINC000293875427 335115453 /nfs/dbraw/zinc/11/54/53/335115453.db2.gz SYGXVKRNDFJQLX-IBGZPJMESA-N 1 0 312.457 3.664 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294028543 335117216 /nfs/dbraw/zinc/11/72/16/335117216.db2.gz FJPYDCPZODDGFH-APWZRJJASA-N 1 0 313.441 3.817 20 10 DHCDRO CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccccc1O ZINC000120652904 333304785 /nfs/dbraw/zinc/30/47/85/333304785.db2.gz BDIMLQKTWYLHEC-INIZCTEOSA-N 1 0 309.413 3.791 20 10 DHCDRO C[C@H](CCCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295659761 335136593 /nfs/dbraw/zinc/13/65/93/335136593.db2.gz JHVFPTFVSJOOKM-OAHLLOKOSA-N 1 0 318.486 3.635 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517698 333373988 /nfs/dbraw/zinc/37/39/88/333373988.db2.gz WGAPAMGFCALPRN-CQSZACIVSA-N 1 0 322.449 3.656 20 10 DHCDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1Cl ZINC000296562208 335146491 /nfs/dbraw/zinc/14/64/91/335146491.db2.gz ULSZEMPBOYCENW-YJBOKZPZSA-N 1 0 317.816 3.530 20 10 DHCDRO Cc1cccc2oc(CC[NH2+][C@H](C)c3cc(F)ccc3O)nc21 ZINC000273466020 334047434 /nfs/dbraw/zinc/04/74/34/334047434.db2.gz DSBODTMCBUQDRK-GFCCVEGCSA-N 1 0 314.360 3.874 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000285414415 334147624 /nfs/dbraw/zinc/14/76/24/334147624.db2.gz XXVSVYRJUNGNMJ-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1ccncc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000294402954 334209183 /nfs/dbraw/zinc/20/91/83/334209183.db2.gz SOVHTYGIQWRVIB-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1[O-] ZINC000296331622 334232029 /nfs/dbraw/zinc/23/20/29/334232029.db2.gz HJRXEUFOLAIRPL-IAYQEVDDSA-N 1 0 308.853 3.712 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367056898 335607604 /nfs/dbraw/zinc/60/76/04/335607604.db2.gz CVTODJYPRWSQQX-PBHICJAKSA-N 1 0 312.413 3.612 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000355105380 336494787 /nfs/dbraw/zinc/49/47/87/336494787.db2.gz AAOQKCLLVVGEAT-KFKAGJAMSA-N 1 0 310.441 3.534 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000355128679 336495774 /nfs/dbraw/zinc/49/57/74/336495774.db2.gz VSCPBMYERMTNST-UHFFFAOYSA-N 1 0 304.397 3.653 20 10 DHCDRO COc1ccccc1C1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000368603060 336848931 /nfs/dbraw/zinc/84/89/31/336848931.db2.gz PYMXSSMLAUPCGV-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000368651084 336849941 /nfs/dbraw/zinc/84/99/41/336849941.db2.gz FWMLFBYDDJNUEZ-JECHBYEQSA-N 1 0 309.837 3.901 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000370222028 336880010 /nfs/dbraw/zinc/88/00/10/336880010.db2.gz KDAYJMOXOUZXQT-HOCLYGCPSA-N 1 0 319.445 3.600 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(C)cc1O ZINC000370277234 336881575 /nfs/dbraw/zinc/88/15/75/336881575.db2.gz SYLKIHJLYOANMB-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000371869747 336915218 /nfs/dbraw/zinc/91/52/18/336915218.db2.gz KEOUWNQXRLDQCK-DYVFJYSZSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1csc(NC2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000373491492 336962229 /nfs/dbraw/zinc/96/22/29/336962229.db2.gz ZTYMUAAJMAVMTL-UHFFFAOYSA-N 1 0 317.458 3.542 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000375243243 337006493 /nfs/dbraw/zinc/00/64/93/337006493.db2.gz VWZARFYSHDYZNC-ZUZCIYMTSA-N 1 0 319.788 3.839 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000305750357 337035509 /nfs/dbraw/zinc/03/55/09/337035509.db2.gz ZHUKPQQIOQOBHJ-WMZOPIPTSA-N 1 0 315.413 3.854 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCCc3cccnc32)c1O ZINC000377244484 337049282 /nfs/dbraw/zinc/04/92/82/337049282.db2.gz LQRSAIGCMFXNTP-MRXNPFEDSA-N 1 0 312.413 3.695 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695798 337058810 /nfs/dbraw/zinc/05/88/10/337058810.db2.gz IJNLBZSDBITIPL-NXHRZFHOSA-N 1 0 315.388 3.790 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000378150157 337067158 /nfs/dbraw/zinc/06/71/58/337067158.db2.gz AQTHRJJAGXEMFQ-UHFFFAOYSA-N 1 0 307.397 3.697 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(O)c1 ZINC000185125474 337203226 /nfs/dbraw/zinc/20/32/26/337203226.db2.gz OQYLZTLGOVYCAS-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113233 337253820 /nfs/dbraw/zinc/25/38/20/337253820.db2.gz RLKSYVCSXOULTB-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189469236 337279313 /nfs/dbraw/zinc/27/93/13/337279313.db2.gz KTMLZRWFHAABMU-DYVFJYSZSA-N 1 0 313.397 3.884 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000247997074 337562125 /nfs/dbraw/zinc/56/21/25/337562125.db2.gz JXUNQNKHPYKTQC-OKDNKWQNSA-N 1 0 302.462 3.607 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000513339303 340403102 /nfs/dbraw/zinc/40/31/02/340403102.db2.gz WDJUFOMNYOHPGV-AWEZNQCLSA-N 1 0 308.425 3.913 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000551281823 341336965 /nfs/dbraw/zinc/33/69/65/341336965.db2.gz JFDASJHIRIETKC-OAHLLOKOSA-N 1 0 318.424 3.985 20 10 DHCDRO CCOCc1cc(C[NH2+]CCCC(F)(F)F)ccc1OC ZINC000266525424 520185279 /nfs/dbraw/zinc/18/52/79/520185279.db2.gz FABVOIAZXZYDTC-UHFFFAOYSA-N 1 0 305.340 3.664 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000160474984 520555796 /nfs/dbraw/zinc/55/57/96/520555796.db2.gz XNUZHSKUAZXUJB-QGZVFWFLSA-N 1 0 302.462 3.724 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(COC)o2)cc1F ZINC000127605835 520908751 /nfs/dbraw/zinc/90/87/51/520908751.db2.gz BRHYMMZBAKYIRK-UHFFFAOYSA-N 1 0 320.408 3.701 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnn(CC)c2)cc1F ZINC000158707446 520910792 /nfs/dbraw/zinc/91/07/92/520910792.db2.gz VIYIVHQJHRMWHJ-CQSZACIVSA-N 1 0 318.440 3.739 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189193270 521152171 /nfs/dbraw/zinc/15/21/71/521152171.db2.gz SZCXBICFFCFQBT-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO CCN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000159313749 521579716 /nfs/dbraw/zinc/57/97/16/521579716.db2.gz ZCGQCLFZOMLXIT-QGZVFWFLSA-N 1 0 315.505 3.812 20 10 DHCDRO CCc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157935557 521843257 /nfs/dbraw/zinc/84/32/57/521843257.db2.gz RONIKKGEXJBEKF-KRWDZBQOSA-N 1 0 324.468 3.936 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccccc1O ZINC000156408898 522918817 /nfs/dbraw/zinc/91/88/17/522918817.db2.gz VWINWMIWAZZQSK-MSOLQXFVSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1O ZINC000185300607 524074219 /nfs/dbraw/zinc/07/42/19/524074219.db2.gz FELNEEDGVAQBCP-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000180890916 525352957 /nfs/dbraw/zinc/35/29/57/525352957.db2.gz FTBFZNFVLGFWHS-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269003415 525494198 /nfs/dbraw/zinc/49/41/98/525494198.db2.gz PREMTUXPCWDRSB-APWZRJJASA-N 1 0 312.457 3.569 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000189308604 525504476 /nfs/dbraw/zinc/50/44/76/525504476.db2.gz WQBTZPAOFZROGS-UWVAXJGDSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000119566092 525526580 /nfs/dbraw/zinc/52/65/80/525526580.db2.gz LSKCTJBSXQPALU-XYJFISCASA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000188914632 525854862 /nfs/dbraw/zinc/85/48/62/525854862.db2.gz CBZPGFPFLCVYDZ-RZQQEMMASA-N 1 0 313.441 3.673 20 10 DHCDRO CCOc1cccc(CNc2ccccc2CC[NH+](C)C)c1O ZINC000275580438 535463578 /nfs/dbraw/zinc/46/35/78/535463578.db2.gz HTMSMKQGCMIFLR-UHFFFAOYSA-N 1 0 314.429 3.507 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(C)cc1O ZINC000280297843 535920601 /nfs/dbraw/zinc/92/06/01/535920601.db2.gz ZQHSVVHBEUKUHU-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000272905134 536934295 /nfs/dbraw/zinc/93/42/95/536934295.db2.gz VUUPGWRLLYIAIU-PJIJBLCYSA-N 1 0 315.413 3.828 20 10 DHCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CS1 ZINC000754125170 1013408315 /nfs/dbraw/zinc/40/83/15/1013408315.db2.gz VSRJTWGOERSJOL-SJLPKXTDSA-N 1 0 304.503 3.689 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982270 1013474824 /nfs/dbraw/zinc/47/48/24/1013474824.db2.gz BGEGIRPZRVAIFY-ZAWLATJESA-N 1 0 315.457 3.809 20 10 DHCDRO COc1ccc(C[NH2+]CC(C)(C)C2=CCCC2)c(O)c1OC ZINC000894801792 1013492426 /nfs/dbraw/zinc/49/24/26/1013492426.db2.gz GVKKGJXYVMEZAE-UHFFFAOYSA-N 1 0 305.418 3.636 20 10 DHCDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000839183548 1013621775 /nfs/dbraw/zinc/62/17/75/1013621775.db2.gz YBZDPZQLAGVGAK-LLVKDONJSA-N 1 0 317.260 3.521 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000177386514 1013730990 /nfs/dbraw/zinc/73/09/90/1013730990.db2.gz TVGWDBYJPVGZLM-JSGCOSHPSA-N 1 0 310.388 3.645 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000177386528 1013731081 /nfs/dbraw/zinc/73/10/81/1013731081.db2.gz TVGWDBYJPVGZLM-OCCSQVGLSA-N 1 0 310.388 3.645 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc(F)cc2)c1O ZINC000076274320 1013853654 /nfs/dbraw/zinc/85/36/54/1013853654.db2.gz TUGQCMRPJZCULW-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO CC[N@H+](Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000050151492 1017116586 /nfs/dbraw/zinc/11/65/86/1017116586.db2.gz RIJUQDJKZVJTSH-UHFFFAOYSA-N 1 0 307.390 3.818 20 10 DHCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000155715292 1014101795 /nfs/dbraw/zinc/10/17/95/1014101795.db2.gz LZIUPTFKWOSYQJ-KRWDZBQOSA-N 1 0 312.461 3.614 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976381 1029313996 /nfs/dbraw/zinc/31/39/96/1029313996.db2.gz KXSBHLCGUYARBT-NXEZZACHSA-N 1 0 305.249 3.867 20 10 DHCDRO C[NH+](C)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588383341 1014244818 /nfs/dbraw/zinc/24/48/18/1014244818.db2.gz VWPCRSJWNXGOAX-UHFFFAOYSA-N 1 0 311.389 3.785 20 10 DHCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)cc(F)c1[O-] ZINC000760040670 1014344948 /nfs/dbraw/zinc/34/49/48/1014344948.db2.gz VDLZXMDBRAWFAV-ZCFIWIBFSA-N 1 0 324.140 3.742 20 10 DHCDRO Cc1ccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC001140340030 1014621511 /nfs/dbraw/zinc/62/15/11/1014621511.db2.gz RZWPZNZKQYAYAC-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO COc1ccccc1OCCC[NH2+][C@H](C)c1ccccc1O ZINC000783508187 1014892961 /nfs/dbraw/zinc/89/29/61/1014892961.db2.gz IBGDSUFIQHQMRR-CQSZACIVSA-N 1 0 301.386 3.521 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(OC)c1 ZINC001204563373 1014989195 /nfs/dbraw/zinc/98/91/95/1014989195.db2.gz NVCPSEOMMSTNEH-UHFFFAOYSA-N 1 0 316.420 3.922 20 10 DHCDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772956696 1032108687 /nfs/dbraw/zinc/10/86/87/1032108687.db2.gz WUQRCVMPCREYIL-ZBFHGGJFSA-N 1 0 308.441 3.892 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)CC)cc2)C1(C)C ZINC001167474149 1015057180 /nfs/dbraw/zinc/05/71/80/1015057180.db2.gz PYYOFLGPJOKZQR-QZTJIDSGSA-N 1 0 304.478 3.778 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000895822087 1015318366 /nfs/dbraw/zinc/31/83/66/1015318366.db2.gz MTZUUDTXLZXILX-GOSISDBHSA-N 1 0 303.446 3.784 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896197762 1015497732 /nfs/dbraw/zinc/49/77/32/1015497732.db2.gz GPTJJYNMHZYQPG-UHFFFAOYSA-N 1 0 317.820 3.517 20 10 DHCDRO CC[N@H+](CCc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891690714 1015534415 /nfs/dbraw/zinc/53/44/15/1015534415.db2.gz CNJUZXBQSRDYBX-UHFFFAOYSA-N 1 0 321.442 3.536 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1O ZINC000896536929 1015625481 /nfs/dbraw/zinc/62/54/81/1015625481.db2.gz RYHFLHXDVKRJCS-AWEZNQCLSA-N 1 0 302.443 3.612 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1Cl ZINC000896561577 1015642590 /nfs/dbraw/zinc/64/25/90/1015642590.db2.gz OJEYGUMDHHUXMH-UHFFFAOYSA-N 1 0 319.832 3.753 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)cc1Cl ZINC000896822058 1015761012 /nfs/dbraw/zinc/76/10/12/1015761012.db2.gz HMGBNLAKMFPBFB-UHFFFAOYSA-N 1 0 322.861 3.979 20 10 DHCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000277046367 1015858754 /nfs/dbraw/zinc/85/87/54/1015858754.db2.gz CFNJHQNMRKELCP-INIZCTEOSA-N 1 0 302.462 3.724 20 10 DHCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275377 1016130499 /nfs/dbraw/zinc/13/04/99/1016130499.db2.gz QBVIAPOFFLNMGM-YNEHKIRRSA-N 1 0 302.422 3.744 20 10 DHCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195327 1016395506 /nfs/dbraw/zinc/39/55/06/1016395506.db2.gz PQBLHSHROFIZLJ-GUYCJALGSA-N 1 0 313.397 3.602 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000185051862 1016518471 /nfs/dbraw/zinc/51/84/71/1016518471.db2.gz CACNTXFNEORLNT-ZDUSSCGKSA-N 1 0 315.388 3.922 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000475197363 1017067765 /nfs/dbraw/zinc/06/77/65/1017067765.db2.gz MQQVXJOIDBMOPF-UHFFFAOYSA-N 1 0 310.445 3.797 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)c(O)c1 ZINC000877493651 1033321682 /nfs/dbraw/zinc/32/16/82/1033321682.db2.gz NMDUJGZIXYPOKN-BYCMXARLSA-N 1 0 303.427 3.744 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295070057 1032265221 /nfs/dbraw/zinc/26/52/21/1032265221.db2.gz PFMCVKPMQXFOJU-PBFPGSCMSA-N 1 0 313.397 3.964 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c(O)c1 ZINC000877530752 1033336445 /nfs/dbraw/zinc/33/64/45/1033336445.db2.gz WTZNHGVWRZYLQP-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001171324949 1032381980 /nfs/dbraw/zinc/38/19/80/1032381980.db2.gz QKEXWVKQKLSTKU-UHFFFAOYSA-N 1 0 316.408 3.892 20 10 DHCDRO COc1ccccc1OCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000054569181 1032401762 /nfs/dbraw/zinc/40/17/62/1032401762.db2.gz PQLAUNNNOARALY-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000773007038 1032521786 /nfs/dbraw/zinc/52/17/86/1032521786.db2.gz DTUOQKZWWRSBBI-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO CC(C)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773086074 1032554901 /nfs/dbraw/zinc/55/49/01/1032554901.db2.gz YCKALHCPDXYLRK-APWZRJJASA-N 1 0 303.494 3.666 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773105540 1032560697 /nfs/dbraw/zinc/56/06/97/1032560697.db2.gz HRSODDIBZQTWJH-SFTDATJTSA-N 1 0 323.484 3.980 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccc(N(C)C)cc1 ZINC000773104120 1032561013 /nfs/dbraw/zinc/56/10/13/1032561013.db2.gz FNUAGANZFRWWPM-MSOLQXFVSA-N 1 0 306.494 3.836 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000799735554 1012533795 /nfs/dbraw/zinc/53/37/95/1012533795.db2.gz YFZBGCBAWQTBNY-ZWKOTPCHSA-N 1 0 302.462 3.709 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000877730344 1033423715 /nfs/dbraw/zinc/42/37/15/1033423715.db2.gz XBLJYQAXKLQRMN-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(SC)cc2)c1O ZINC000036994407 1012760281 /nfs/dbraw/zinc/76/02/81/1012760281.db2.gz IRUOACQKWIJFHY-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2cccnc2)C(C)C)c1O ZINC000894325504 1012789679 /nfs/dbraw/zinc/78/96/79/1012789679.db2.gz IVRMWVZVSVAJJN-KRWDZBQOSA-N 1 0 314.429 3.634 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1O ZINC000037128100 1012825420 /nfs/dbraw/zinc/82/54/20/1012825420.db2.gz OMHBTDGVWGEHRP-CQSZACIVSA-N 1 0 301.411 3.728 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1C ZINC000773256180 1032661106 /nfs/dbraw/zinc/66/11/06/1032661106.db2.gz BFYJGAWEQRCGSU-IAGOWNOFSA-N 1 0 303.446 3.648 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(O)c1 ZINC000289827472 1012862854 /nfs/dbraw/zinc/86/28/54/1012862854.db2.gz PFCDDFNKUOYFLU-QKYXUNIQSA-N 1 0 311.425 3.517 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290241454 1012894272 /nfs/dbraw/zinc/89/42/72/1012894272.db2.gz ZNPSNUACLBVGNS-GOSISDBHSA-N 1 0 316.420 3.541 20 10 DHCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000840846138 1017181009 /nfs/dbraw/zinc/18/10/09/1017181009.db2.gz HYUCWZBCHROLGP-XMCHAPAWSA-N 1 0 310.441 3.716 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc2ccccc2c1O ZINC000320584984 1017188594 /nfs/dbraw/zinc/18/85/94/1017188594.db2.gz UETVWIXZCASIIZ-KUHUBIRLSA-N 1 0 307.393 3.930 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c(C)c1 ZINC000840909137 1017448152 /nfs/dbraw/zinc/44/81/52/1017448152.db2.gz PQWNTLJEOWSSPI-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857904727 1032708663 /nfs/dbraw/zinc/70/86/63/1032708663.db2.gz NVPFYWRTPYJKHH-INIZCTEOSA-N 1 0 315.848 3.887 20 10 DHCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000840964849 1017604222 /nfs/dbraw/zinc/60/42/22/1017604222.db2.gz VZCMVUBHGYJSCP-MUBLQREKSA-N 1 0 300.368 3.944 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)c2ccc(F)cc2)c1 ZINC000186084562 1017689477 /nfs/dbraw/zinc/68/94/77/1017689477.db2.gz RBKZNRVQMRDLIH-XIKOKIGWSA-N 1 0 319.376 3.578 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000186084575 1017690317 /nfs/dbraw/zinc/69/03/17/1017690317.db2.gz RBKZNRVQMRDLIH-KPZWWZAWSA-N 1 0 319.376 3.578 20 10 DHCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c2ccncc12 ZINC001167628142 1017738388 /nfs/dbraw/zinc/73/83/88/1017738388.db2.gz PHKKTJSZUXOLNW-UHFFFAOYSA-N 1 0 313.445 3.728 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915388 1032727137 /nfs/dbraw/zinc/72/71/37/1032727137.db2.gz KQGOQSFDCSWOTQ-ZLDLUXBVSA-N 1 0 317.351 3.933 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185528752 1017856618 /nfs/dbraw/zinc/85/66/18/1017856618.db2.gz HFSOWCLSQDHZDN-ZUZCIYMTSA-N 1 0 311.834 3.665 20 10 DHCDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000122011308 1017913091 /nfs/dbraw/zinc/91/30/91/1017913091.db2.gz LTGBQSOZXBAZCJ-CYBMUJFWSA-N 1 0 306.837 3.546 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2ccc3cnccc3c2)n1 ZINC000785473745 1018037786 /nfs/dbraw/zinc/03/77/86/1018037786.db2.gz NKKBHMWUOHMDIC-UHFFFAOYSA-N 1 0 315.467 3.963 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000764122589 1018165270 /nfs/dbraw/zinc/16/52/70/1018165270.db2.gz ZXKOFLQJHGPNOF-UHFFFAOYSA-N 1 0 311.425 3.805 20 10 DHCDRO C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccccc1O ZINC000114721348 1018185326 /nfs/dbraw/zinc/18/53/26/1018185326.db2.gz HYIJGUJHNJOYPV-CYBMUJFWSA-N 1 0 309.369 3.635 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(C)cc(C)c2)cc1OC ZINC000766092985 1018278100 /nfs/dbraw/zinc/27/81/00/1018278100.db2.gz QCNVETZLEDEBLC-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764593722 1018324921 /nfs/dbraw/zinc/32/49/21/1018324921.db2.gz FMJPUCFDCWBUNM-FXAWDEMLSA-N 1 0 315.505 3.812 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000764618447 1018329303 /nfs/dbraw/zinc/32/93/03/1018329303.db2.gz NCUKODSOZYAPDZ-GOSISDBHSA-N 1 0 315.505 3.813 20 10 DHCDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764810249 1018388456 /nfs/dbraw/zinc/38/84/56/1018388456.db2.gz PUIXVQQSYHHFFJ-GOSISDBHSA-N 1 0 315.505 3.813 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765090446 1018469551 /nfs/dbraw/zinc/46/95/51/1018469551.db2.gz SNVIDTFBFQNXDV-SJLPKXTDSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)[C@H]1C ZINC000765099788 1018474821 /nfs/dbraw/zinc/47/48/21/1018474821.db2.gz KEWGZLSTKRQTLS-STQMWFEESA-N 1 0 311.381 3.901 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858099763 1032767030 /nfs/dbraw/zinc/76/70/30/1032767030.db2.gz XHRGLMSKQMWDSR-UHFFFAOYSA-N 1 0 320.383 3.719 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765126128 1018482334 /nfs/dbraw/zinc/48/23/34/1018482334.db2.gz IMWHAWRMLCQAKT-DEYYWGMASA-N 1 0 320.452 3.718 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000766145663 1018502756 /nfs/dbraw/zinc/50/27/56/1018502756.db2.gz RDXMNFJBBSQRPH-CQSZACIVSA-N 1 0 306.450 3.525 20 10 DHCDRO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000926919354 1032768887 /nfs/dbraw/zinc/76/88/87/1032768887.db2.gz MYHNIMFFBSSGHP-SNVBAGLBSA-N 1 0 306.406 3.717 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccc1C ZINC000858113563 1032772548 /nfs/dbraw/zinc/77/25/48/1032772548.db2.gz UWURZZPIWVWZLZ-UHFFFAOYSA-N 1 0 320.383 3.638 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765278214 1018743124 /nfs/dbraw/zinc/74/31/24/1018743124.db2.gz BTTNKZWMIJHVHJ-WBVHZDCISA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765334402 1018758512 /nfs/dbraw/zinc/75/85/12/1018758512.db2.gz NFJMMIIOWQNQJJ-ZDUSSCGKSA-N 1 0 310.869 3.873 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765334401 1018759041 /nfs/dbraw/zinc/75/90/41/1018759041.db2.gz NFJMMIIOWQNQJJ-CYBMUJFWSA-N 1 0 310.869 3.873 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765335396 1018762322 /nfs/dbraw/zinc/76/23/22/1018762322.db2.gz UJVAGGYQCJACRM-CQSZACIVSA-N 1 0 308.441 3.749 20 10 DHCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765433167 1018783755 /nfs/dbraw/zinc/78/37/55/1018783755.db2.gz XUWDWIQXQLXWDA-MJGOQNOKSA-N 1 0 310.441 3.797 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000858178631 1032791870 /nfs/dbraw/zinc/79/18/70/1032791870.db2.gz ZMNWZCBHBQOCJF-UHFFFAOYSA-N 1 0 318.358 3.944 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858182800 1032792086 /nfs/dbraw/zinc/79/20/86/1032792086.db2.gz IMEAYLZIAUKLCI-QBTDHISASA-N 1 0 314.473 3.546 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282529646 1018914201 /nfs/dbraw/zinc/91/42/01/1018914201.db2.gz VFCREGWGSMDHEY-RDTXWAMCSA-N 1 0 312.461 3.604 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC000858186886 1032796220 /nfs/dbraw/zinc/79/62/20/1032796220.db2.gz OFPLMSSOYKNLJP-KRWDZBQOSA-N 1 0 321.424 3.545 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278623453 1018946224 /nfs/dbraw/zinc/94/62/24/1018946224.db2.gz RQYLQWYARQGWLA-VKJFTORMSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2 ZINC000765608736 1018998004 /nfs/dbraw/zinc/99/80/04/1018998004.db2.gz JXVRQHKFXPPXLG-GOSISDBHSA-N 1 0 309.409 3.797 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000765610658 1019001181 /nfs/dbraw/zinc/00/11/81/1019001181.db2.gz WUQBCLNWZUWWGX-HNNXBMFYSA-N 1 0 310.441 3.928 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1C ZINC000858196416 1032801620 /nfs/dbraw/zinc/80/16/20/1032801620.db2.gz OOUXIGDTRCBZME-UHFFFAOYSA-N 1 0 320.383 3.638 20 10 DHCDRO C[C@@]1(CC[NH2+]Cc2c(O)cccc2Br)CC1(F)F ZINC000858192500 1032796950 /nfs/dbraw/zinc/79/69/50/1032796950.db2.gz MNSAYMQYZOOJOW-GFCCVEGCSA-N 1 0 320.177 3.680 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(N(C)C)cc1 ZINC000765661287 1019034965 /nfs/dbraw/zinc/03/49/65/1019034965.db2.gz YCRAWETXUSJBDL-LJQANCHMSA-N 1 0 314.477 3.827 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000858206254 1032803803 /nfs/dbraw/zinc/80/38/03/1032803803.db2.gz NJPLEWBBSXIPSU-GOSISDBHSA-N 1 0 302.462 3.583 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000765698989 1019054927 /nfs/dbraw/zinc/05/49/27/1019054927.db2.gz WHOHRFFPDRSYGK-AWEZNQCLSA-N 1 0 316.420 3.794 20 10 DHCDRO CC1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000785481665 1019063012 /nfs/dbraw/zinc/06/30/12/1019063012.db2.gz ATTJLDSLQKZXHQ-ZDUSSCGKSA-N 1 0 310.388 3.647 20 10 DHCDRO CCCn1c(C[NH2+]Cc2cc(C)ccc2O)nc2ccccc21 ZINC000858238273 1032811737 /nfs/dbraw/zinc/81/17/37/1032811737.db2.gz XRJGBIGOEQGTGV-UHFFFAOYSA-N 1 0 309.413 3.750 20 10 DHCDRO CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c(O)c1 ZINC000858241985 1032812541 /nfs/dbraw/zinc/81/25/41/1032812541.db2.gz LVJQHNRSKGJVND-UHFFFAOYSA-N 1 0 314.429 3.562 20 10 DHCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)nc1 ZINC000858242302 1032812702 /nfs/dbraw/zinc/81/27/02/1032812702.db2.gz QLZYOBQOUVBDDJ-UHFFFAOYSA-N 1 0 315.436 3.663 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000858238881 1032813232 /nfs/dbraw/zinc/81/32/32/1032813232.db2.gz DXAPWIXPCSKPHU-UHFFFAOYSA-N 1 0 313.397 3.542 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccccc1O ZINC000186168874 1019225741 /nfs/dbraw/zinc/22/57/41/1019225741.db2.gz PBVWNLLMAWLIFY-INIZCTEOSA-N 1 0 303.377 3.823 20 10 DHCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC001143104360 1019377076 /nfs/dbraw/zinc/37/70/76/1019377076.db2.gz SDLBOPLRYNEHCX-LJQANCHMSA-N 1 0 303.446 3.692 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000858292571 1032830711 /nfs/dbraw/zinc/83/07/11/1032830711.db2.gz BDRNFRFGRCJQMB-UHFFFAOYSA-N 1 0 322.456 3.734 20 10 DHCDRO CCCn1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858292548 1032832654 /nfs/dbraw/zinc/83/26/54/1032832654.db2.gz AXCOEISPHFXOPP-UHFFFAOYSA-N 1 0 322.456 3.990 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186188835 1019650651 /nfs/dbraw/zinc/65/06/51/1019650651.db2.gz KVEBKNSDNUJDQS-QKYXUNIQSA-N 1 0 310.441 3.797 20 10 DHCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccoc3)CC2)cc1 ZINC000727470376 1019718937 /nfs/dbraw/zinc/71/89/37/1019718937.db2.gz UYSHZDMKAIEMQR-UHFFFAOYSA-N 1 0 322.355 3.640 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000727467366 1019720195 /nfs/dbraw/zinc/72/01/95/1019720195.db2.gz UOCPVGGDNHFIGY-UHFFFAOYSA-N 1 0 308.429 3.699 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000186515640 1019779510 /nfs/dbraw/zinc/77/95/10/1019779510.db2.gz JJYWLOUURKABSS-WMLDXEAASA-N 1 0 303.446 3.881 20 10 DHCDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727838916 1019817660 /nfs/dbraw/zinc/81/76/60/1019817660.db2.gz PSBDYYZCVCMRGL-UYAOXDASSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000727824178 1019821436 /nfs/dbraw/zinc/82/14/36/1019821436.db2.gz NWCZPDBVBHBZOQ-CQSZACIVSA-N 1 0 313.397 3.706 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765773549 1019862903 /nfs/dbraw/zinc/86/29/03/1019862903.db2.gz DQIAKQULVCUOAB-DLBZAZTESA-N 1 0 303.494 3.668 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000922217986 1019896404 /nfs/dbraw/zinc/89/64/04/1019896404.db2.gz YVYBCBHYCVGSMB-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CCC2)ccc1N1CCCCC1 ZINC001203553927 1019911489 /nfs/dbraw/zinc/91/14/89/1019911489.db2.gz RPHSBSKVWFYPGX-UHFFFAOYSA-N 1 0 317.433 3.865 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000922283610 1019962948 /nfs/dbraw/zinc/96/29/48/1019962948.db2.gz FKBQTDKONJFMJB-AEFFLSMTSA-N 1 0 303.446 3.776 20 10 DHCDRO CN(C)c1ccc(CNc2ccccc2CC[NH+](C)C)cc1F ZINC000782544211 1020047333 /nfs/dbraw/zinc/04/73/33/1020047333.db2.gz MJFRRPXVSQSKFJ-UHFFFAOYSA-N 1 0 315.436 3.608 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(O)c1 ZINC001171734873 1032873798 /nfs/dbraw/zinc/87/37/98/1032873798.db2.gz QSMWOJCEASBZOE-PKOBYXMFSA-N 1 0 324.468 3.762 20 10 DHCDRO CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c(O)c1 ZINC000731678670 1020136089 /nfs/dbraw/zinc/13/60/89/1020136089.db2.gz WWOWKYZLTAULBK-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000732189150 1020205626 /nfs/dbraw/zinc/20/56/26/1020205626.db2.gz POUIYSCUKYQLGO-KRWDZBQOSA-N 1 0 316.489 3.667 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000732229216 1020215267 /nfs/dbraw/zinc/21/52/67/1020215267.db2.gz JAIBODJWVAWYIB-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3scnc3C3CC3)ccc21 ZINC000785442082 1020222640 /nfs/dbraw/zinc/22/26/40/1020222640.db2.gz OIDMDLJTQTZRGD-UHFFFAOYSA-N 1 0 313.470 3.693 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCS[C@@H](C)C3)CC2)cc1 ZINC000922836406 1020292714 /nfs/dbraw/zinc/29/27/14/1020292714.db2.gz BDIQSWVSIDQROX-HOCLYGCPSA-N 1 0 320.502 3.538 20 10 DHCDRO Nc1ncccc1Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001212398188 1020310966 /nfs/dbraw/zinc/31/09/66/1020310966.db2.gz MAZTXFIVKCZTLB-UHFFFAOYSA-N 1 0 307.328 3.778 20 10 DHCDRO Cc1ccc(Nc2cccnc2N)c(C(=O)c2ccccc2)c1 ZINC001212405932 1020350981 /nfs/dbraw/zinc/35/09/81/1020350981.db2.gz PEDSBBBXSAFKRF-UHFFFAOYSA-N 1 0 303.365 3.947 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1F ZINC000733325433 1020371059 /nfs/dbraw/zinc/37/10/59/1020371059.db2.gz IBHMMEFJXWFJKR-UHFFFAOYSA-N 1 0 309.388 3.730 20 10 DHCDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325691 1020371479 /nfs/dbraw/zinc/37/14/79/1020371479.db2.gz TZHMCEUEJNHODQ-ZDUSSCGKSA-N 1 0 320.383 3.588 20 10 DHCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2c(O)cccc2Cl)C1 ZINC000733325212 1020372327 /nfs/dbraw/zinc/37/23/27/1020372327.db2.gz FBAZKUDDOHLFPV-KBPBESRZSA-N 1 0 324.896 3.892 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1 ZINC000733327903 1020373701 /nfs/dbraw/zinc/37/37/01/1020373701.db2.gz FIYMEINHQJKILQ-CYBMUJFWSA-N 1 0 304.384 3.924 20 10 DHCDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)c(O)c1 ZINC000733330147 1020376717 /nfs/dbraw/zinc/37/67/17/1020376717.db2.gz PNRXQCCKSPFTBU-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO CC1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000785446747 1020404307 /nfs/dbraw/zinc/40/43/07/1020404307.db2.gz TXVXBXIMMFRVKG-UHFFFAOYSA-N 1 0 310.388 3.647 20 10 DHCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000282451004 1020517713 /nfs/dbraw/zinc/51/77/13/1020517713.db2.gz ZTKPCFSHRJDIJO-HKUYNNGSSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CCc2cccc(F)c2)c1O ZINC000734509022 1020617077 /nfs/dbraw/zinc/61/70/77/1020617077.db2.gz GFXAUTPZBGZTGE-CYBMUJFWSA-N 1 0 303.377 3.651 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1O ZINC000725848000 1020739936 /nfs/dbraw/zinc/73/99/36/1020739936.db2.gz MEHKRUIIQCWMEG-UHFFFAOYSA-N 1 0 308.381 3.629 20 10 DHCDRO CCn1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000735676628 1020759066 /nfs/dbraw/zinc/75/90/66/1020759066.db2.gz XKUVDDPDRPCYSR-UHFFFAOYSA-N 1 0 307.397 3.565 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1 ZINC000740014476 1020927074 /nfs/dbraw/zinc/92/70/74/1020927074.db2.gz PQPDEBODMWTIBX-FQEVSTJZSA-N 1 0 318.505 3.954 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c(O)c1C ZINC000926962741 1032949567 /nfs/dbraw/zinc/94/95/67/1032949567.db2.gz LWGVUWGFHLNLKX-GXTWGEPZSA-N 1 0 318.383 3.542 20 10 DHCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001140822705 1021066401 /nfs/dbraw/zinc/06/64/01/1021066401.db2.gz FPJRHJGMIGUWMJ-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000742371051 1021113362 /nfs/dbraw/zinc/11/33/62/1021113362.db2.gz GPWWZTNEJVGNDJ-QGZVFWFLSA-N 1 0 322.880 3.932 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000176985647 1021191870 /nfs/dbraw/zinc/19/18/70/1021191870.db2.gz DYOYKVUXOQKOPS-ZDUSSCGKSA-N 1 0 303.377 3.919 20 10 DHCDRO COc1cc(C[N@@H+]2CCCSCC2)c(O)c(C(C)(C)C)c1 ZINC000164116962 1021232035 /nfs/dbraw/zinc/23/20/35/1021232035.db2.gz KNIMOLSLUHAUDF-UHFFFAOYSA-N 1 0 309.475 3.637 20 10 DHCDRO CCc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(C)C)cc1 ZINC000917392809 1021248298 /nfs/dbraw/zinc/24/82/98/1021248298.db2.gz NXEMNLAXOSPQDQ-FQEVSTJZSA-N 1 0 324.468 3.576 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H](C)CO1 ZINC000917428764 1021264827 /nfs/dbraw/zinc/26/48/27/1021264827.db2.gz XKNSMJPPPRAJBV-CHWSQXEVSA-N 1 0 315.413 3.626 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C(C)C ZINC000917473336 1021270673 /nfs/dbraw/zinc/27/06/73/1021270673.db2.gz PWYUFVYPDXKFAE-HKUYNNGSSA-N 1 0 303.446 3.967 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCCC1)OCO2 ZINC000917477798 1021271400 /nfs/dbraw/zinc/27/14/00/1021271400.db2.gz JHSGXJXAKVLIHU-HNNXBMFYSA-N 1 0 303.402 3.666 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C(C)C ZINC000917473337 1021271502 /nfs/dbraw/zinc/27/15/02/1021271502.db2.gz PWYUFVYPDXKFAE-IEBWSBKVSA-N 1 0 303.446 3.967 20 10 DHCDRO CC(C)COC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917488245 1021278383 /nfs/dbraw/zinc/27/83/83/1021278383.db2.gz LFTULKPVNPEJME-UHFFFAOYSA-N 1 0 303.446 3.518 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)CO1 ZINC000743409061 1021290313 /nfs/dbraw/zinc/29/03/13/1021290313.db2.gz QYTFQLHUZICXEW-QRWLVFNGSA-N 1 0 323.436 3.843 20 10 DHCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000743499706 1021306657 /nfs/dbraw/zinc/30/66/57/1021306657.db2.gz PCQNLISAUOKHLG-FUHWJXTLSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1cc(O)c(CN2CC[NH+](CCC(C)(C)C)CC2)cc1C ZINC000917619374 1021322690 /nfs/dbraw/zinc/32/26/90/1021322690.db2.gz KAEAOJLKCRCWQC-UHFFFAOYSA-N 1 0 304.478 3.563 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000178232736 1021324807 /nfs/dbraw/zinc/32/48/07/1021324807.db2.gz YZFQLBWBXQIEFX-HNNXBMFYSA-N 1 0 310.441 3.581 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000181773973 1021345077 /nfs/dbraw/zinc/34/50/77/1021345077.db2.gz CDBGNCHKOSYABI-STQMWFEESA-N 1 0 312.504 3.563 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154483969 1021347179 /nfs/dbraw/zinc/34/71/79/1021347179.db2.gz CLPKFIRFMHSETI-KSSFIOAISA-N 1 0 308.441 3.628 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850006887 1021393866 /nfs/dbraw/zinc/39/38/66/1021393866.db2.gz FCCLRFNLKUFPNY-ZDUSSCGKSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccoc2C)c(O)c(C(C)(C)C)c1 ZINC000850069130 1021410089 /nfs/dbraw/zinc/41/00/89/1021410089.db2.gz KFPRDEHZUCHXJO-UHFFFAOYSA-N 1 0 303.402 3.890 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850187535 1021435648 /nfs/dbraw/zinc/43/56/48/1021435648.db2.gz LUGILQVNRVREQC-KGLIPLIRSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]CC(C)(C)CCCO)c(O)c(C(C)(C)C)c1 ZINC000850236262 1021449615 /nfs/dbraw/zinc/44/96/15/1021449615.db2.gz UYCJGFFVPPJZET-UHFFFAOYSA-N 1 0 323.477 3.587 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000154652381 1021467549 /nfs/dbraw/zinc/46/75/49/1021467549.db2.gz WMQUCJHAXMCPJH-QFBILLFUSA-N 1 0 306.494 3.838 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H](C)c2ccccn2)ccc1OC ZINC000850342361 1021481272 /nfs/dbraw/zinc/48/12/72/1021481272.db2.gz QAKGWWGXTBEINJ-OAHLLOKOSA-N 1 0 314.429 3.520 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1F ZINC000850379318 1021498749 /nfs/dbraw/zinc/49/87/49/1021498749.db2.gz KTIYSVYIWWBHJY-OAHLLOKOSA-N 1 0 300.368 3.807 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(O)c1 ZINC000850389396 1021504686 /nfs/dbraw/zinc/50/46/86/1021504686.db2.gz WHJYNDWEMJGJRS-IRXDYDNUSA-N 1 0 319.445 3.617 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2c(C3CCC3)cnn2C)c(Cl)c1 ZINC000850393962 1021505270 /nfs/dbraw/zinc/50/52/70/1021505270.db2.gz SUMLGPLZERYRTN-UHFFFAOYSA-N 1 0 319.836 3.645 20 10 DHCDRO CC1(C)[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000850393497 1021505881 /nfs/dbraw/zinc/50/58/81/1021505881.db2.gz CYJHOBQGWVBDJD-LLVKDONJSA-N 1 0 320.177 3.536 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)ccc1OC ZINC000850394221 1021507027 /nfs/dbraw/zinc/50/70/27/1021507027.db2.gz NIWTVBNQZQKOIJ-HNNXBMFYSA-N 1 0 313.388 3.613 20 10 DHCDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850394902 1021508372 /nfs/dbraw/zinc/50/83/72/1021508372.db2.gz HSBWWIWVEGKJLZ-ZWKOTPCHSA-N 1 0 319.832 3.893 20 10 DHCDRO Cc1ccc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405672 1021513135 /nfs/dbraw/zinc/51/31/35/1021513135.db2.gz YMGHWMHMFPYVJI-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3cccc(OC)c3O)CCC2)c1 ZINC000850405629 1021513465 /nfs/dbraw/zinc/51/34/65/1021513465.db2.gz XCJZDFSGUGMPDV-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO C[C@H]1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)C1 ZINC000850405910 1021513676 /nfs/dbraw/zinc/51/36/76/1021513676.db2.gz KCGSKJFREICFME-HZPDHXFCSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(Cl)c1 ZINC000850412461 1021517514 /nfs/dbraw/zinc/51/75/14/1021517514.db2.gz YMMCKFIZNZABFU-FZKQIMNGSA-N 1 0 319.832 3.608 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695111602 1021522545 /nfs/dbraw/zinc/52/25/45/1021522545.db2.gz AJPPCCZNLIWBNI-LLVKDONJSA-N 1 0 320.177 3.822 20 10 DHCDRO Cc1cccc(C[NH2+]CCCOc2cccc3cccnc32)c1O ZINC000182189156 1021528459 /nfs/dbraw/zinc/52/84/59/1021528459.db2.gz CUENCPIXOXXHTF-UHFFFAOYSA-N 1 0 322.408 3.808 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)ccc1OC ZINC000744449232 1021549930 /nfs/dbraw/zinc/54/99/30/1021549930.db2.gz TXONFRZTKMKCIN-IEBWSBKVSA-N 1 0 321.461 3.525 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000850474525 1021554835 /nfs/dbraw/zinc/55/48/35/1021554835.db2.gz OCYSZFSRAULHKN-CABCVRRESA-N 1 0 312.498 3.673 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3csc(C)c3)C2)cc1 ZINC000850485620 1021559683 /nfs/dbraw/zinc/55/96/83/1021559683.db2.gz ACOOSOQVBFSZMV-GOEBONIOSA-N 1 0 316.470 3.995 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000850488292 1021560533 /nfs/dbraw/zinc/56/05/33/1021560533.db2.gz MTERHSCQQIHGSR-UONOGXRCSA-N 1 0 317.351 3.613 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)s3)C2)cc1 ZINC000850488220 1021560815 /nfs/dbraw/zinc/56/08/15/1021560815.db2.gz LYBVWGQUYXZZNW-CABCVRRESA-N 1 0 316.470 3.995 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C2)cc1 ZINC000850488830 1021561236 /nfs/dbraw/zinc/56/12/36/1021561236.db2.gz ULOLMYZGDFECGP-STQMWFEESA-N 1 0 312.404 3.543 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000850504874 1021565736 /nfs/dbraw/zinc/56/57/36/1021565736.db2.gz HCMMLIORISHQFZ-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000850505850 1021567014 /nfs/dbraw/zinc/56/70/14/1021567014.db2.gz ZNSDXRAWFHDMMQ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850508200 1021568457 /nfs/dbraw/zinc/56/84/57/1021568457.db2.gz SBNQVNWHAYERDE-SWLSCSKDSA-N 1 0 300.377 3.615 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000850508988 1021568778 /nfs/dbraw/zinc/56/87/78/1021568778.db2.gz WVIFPFAIFIUAOL-OAHLLOKOSA-N 1 0 310.441 3.868 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529811 1021582923 /nfs/dbraw/zinc/58/29/23/1021582923.db2.gz UBKJDGIWLGWYQO-SLFFLAALSA-N 1 0 310.441 3.972 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000850530968 1021586099 /nfs/dbraw/zinc/58/60/99/1021586099.db2.gz FXIVSAYZQFNIQR-ZQIUZPCESA-N 1 0 313.397 3.661 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(O)c1 ZINC000850532823 1021587973 /nfs/dbraw/zinc/58/79/73/1021587973.db2.gz XNJJHWDBHPLXJB-NJAFHUGGSA-N 1 0 311.425 3.924 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850539327 1021593273 /nfs/dbraw/zinc/59/32/73/1021593273.db2.gz RXNCXVVEDRFPLQ-JKSUJKDBSA-N 1 0 302.462 3.758 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1cc(Cl)ccc1O ZINC000850538249 1021593417 /nfs/dbraw/zinc/59/34/17/1021593417.db2.gz XBBUYBBTKMPWPA-GFCCVEGCSA-N 1 0 324.783 3.829 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000783004716 1021604198 /nfs/dbraw/zinc/60/41/98/1021604198.db2.gz CEIROKXZUIZROB-VIFPVBQESA-N 1 0 322.767 3.633 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850565139 1021608943 /nfs/dbraw/zinc/60/89/43/1021608943.db2.gz BDKSOEXAGUYKHK-OAQYLSRUSA-N 1 0 324.468 3.889 20 10 DHCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565413 1021608982 /nfs/dbraw/zinc/60/89/82/1021608982.db2.gz DNELUEOWKMAOIO-VQTJNVASSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000850567342 1021610796 /nfs/dbraw/zinc/61/07/96/1021610796.db2.gz AAECJFKRSFRYCD-QINHECLXSA-N 1 0 316.489 3.562 20 10 DHCDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566493 1021611216 /nfs/dbraw/zinc/61/12/16/1021611216.db2.gz OEZDRNBKZQHYIE-JXFKEZNVSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1O ZINC000850570416 1021612661 /nfs/dbraw/zinc/61/26/61/1021612661.db2.gz IIACFLZVDDMDCO-VIFPVBQESA-N 1 0 303.880 3.892 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000850572785 1021614787 /nfs/dbraw/zinc/61/47/87/1021614787.db2.gz GMBYUSXZCHVELQ-MOXGXCLJSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850583550 1021622414 /nfs/dbraw/zinc/62/24/14/1021622414.db2.gz LJSDXZVJSMFDGM-FEJNDBLASA-N 1 0 315.388 3.791 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850583244 1021622820 /nfs/dbraw/zinc/62/28/20/1021622820.db2.gz KCFUWMZWVGXIKJ-XWCIJXRUSA-N 1 0 305.805 3.818 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000850583963 1021625047 /nfs/dbraw/zinc/62/50/47/1021625047.db2.gz OZQIXMZDMBWAPY-UIAACRFSSA-N 1 0 312.457 3.915 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000918735342 1021636175 /nfs/dbraw/zinc/63/61/75/1021636175.db2.gz KGVSZZZRHCRODL-INIZCTEOSA-N 1 0 305.462 3.999 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776496672 1021663657 /nfs/dbraw/zinc/66/36/57/1021663657.db2.gz BMPXJTANNLSUNY-AUUYWEPGSA-N 1 0 316.420 3.758 20 10 DHCDRO CCCC[C@H](CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000314072352 1021702717 /nfs/dbraw/zinc/70/27/17/1021702717.db2.gz LQXYBDIXYUHJJY-KRWDZBQOSA-N 1 0 304.478 3.829 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)cc1 ZINC000314089369 1021709527 /nfs/dbraw/zinc/70/95/27/1021709527.db2.gz XDWUTVKVPAIZBA-LJQANCHMSA-N 1 0 305.510 3.599 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)c(O)c1OC ZINC000893005590 1021788334 /nfs/dbraw/zinc/78/83/34/1021788334.db2.gz WYVDWIMVIADJAL-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000746025105 1021826797 /nfs/dbraw/zinc/82/67/97/1021826797.db2.gz JXDIKRKOOOUXQF-CYBMUJFWSA-N 1 0 311.381 3.847 20 10 DHCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCSCC1 ZINC000182977458 1021913401 /nfs/dbraw/zinc/91/34/01/1021913401.db2.gz VYYPKKQAWYEYEC-UHFFFAOYSA-N 1 0 315.438 3.520 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(F)n2)cc1 ZINC000851716454 1021970962 /nfs/dbraw/zinc/97/09/62/1021970962.db2.gz MTGKHWTWSDEMGG-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000851717609 1021972392 /nfs/dbraw/zinc/97/23/92/1021972392.db2.gz ZORDJPORECQEDT-QGZVFWFLSA-N 1 0 324.415 3.533 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000919949020 1021974680 /nfs/dbraw/zinc/97/46/80/1021974680.db2.gz MXZJWSIRWHTTRC-SFHVURJKSA-N 1 0 311.381 3.704 20 10 DHCDRO CCCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000155190960 1022054006 /nfs/dbraw/zinc/05/40/06/1022054006.db2.gz WLCHYTVNSWBHSV-UHFFFAOYSA-N 1 0 314.477 3.608 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000766389897 1022086447 /nfs/dbraw/zinc/08/64/47/1022086447.db2.gz SGGLOHIQLIHAIM-RBUKOAKNSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000180068156 1022105839 /nfs/dbraw/zinc/10/58/39/1022105839.db2.gz PSAXJXIZGMFHEE-OLZOCXBDSA-N 1 0 307.434 3.808 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1 ZINC000766436556 1022114136 /nfs/dbraw/zinc/11/41/36/1022114136.db2.gz HZNZZTNNFAKCHY-IPELMVKDSA-N 1 0 304.478 3.735 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000920413812 1022116309 /nfs/dbraw/zinc/11/63/09/1022116309.db2.gz BHQIFXZQIRZYTR-IBGZPJMESA-N 1 0 304.478 3.972 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccccc1O ZINC000183539281 1022180364 /nfs/dbraw/zinc/18/03/64/1022180364.db2.gz WEAZPRMKYMHTBO-LSDHHAIUSA-N 1 0 307.397 3.990 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000920956512 1022193989 /nfs/dbraw/zinc/19/39/89/1022193989.db2.gz HFCUBISTXWDVDY-CYBMUJFWSA-N 1 0 301.261 3.816 20 10 DHCDRO Cc1cc(C[N@H+](C)CC2=CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000853561777 1022291279 /nfs/dbraw/zinc/29/12/79/1022291279.db2.gz QQNOIITWGSYXAM-UHFFFAOYSA-N 1 0 303.446 3.777 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cc(C)ccc2F)c(O)cc1C ZINC000766629502 1022317766 /nfs/dbraw/zinc/31/77/66/1022317766.db2.gz CGFARBZGVQXENI-UHFFFAOYSA-N 1 0 303.377 3.789 20 10 DHCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854230473 1022434653 /nfs/dbraw/zinc/43/46/53/1022434653.db2.gz QZNLKIARAPCFDR-BXKDBHETSA-N 1 0 305.249 3.723 20 10 DHCDRO C[C@@H](NCC1([NH3+])CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000854222823 1022432633 /nfs/dbraw/zinc/43/26/33/1022432633.db2.gz LHBZTNQDGXZESY-OAHLLOKOSA-N 1 0 319.468 3.738 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000854225286 1022432818 /nfs/dbraw/zinc/43/28/18/1022432818.db2.gz BRBMAVUBYNPBNI-VFVAKGGASA-N 1 0 312.388 3.939 20 10 DHCDRO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000854221843 1022433214 /nfs/dbraw/zinc/43/32/14/1022433214.db2.gz AZCPRAWFFJXCJN-MAODMQOUSA-N 1 0 323.484 3.549 20 10 DHCDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854222523 1022433996 /nfs/dbraw/zinc/43/39/96/1022433996.db2.gz HUXWUZSNKBVJTO-VIFPVBQESA-N 1 0 303.233 3.621 20 10 DHCDRO Cc1cccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1O ZINC000179563463 1022473778 /nfs/dbraw/zinc/47/37/78/1022473778.db2.gz DUUKJHYIDYNCSU-UHFFFAOYSA-N 1 0 307.340 3.934 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000186001091 1022541503 /nfs/dbraw/zinc/54/15/03/1022541503.db2.gz ZSMKCDZKPGQRDJ-JTQLQIEISA-N 1 0 311.303 3.539 20 10 DHCDRO CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000179803225 1022546576 /nfs/dbraw/zinc/54/65/76/1022546576.db2.gz QXRLHDXWNIQFDG-UHFFFAOYSA-N 1 0 308.425 3.748 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1 ZINC000186148935 1022554980 /nfs/dbraw/zinc/55/49/80/1022554980.db2.gz WVIFJNOCOJCKNL-AWEZNQCLSA-N 1 0 323.396 3.644 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CC3)C1)oc1ccccc12 ZINC000776772737 1022561527 /nfs/dbraw/zinc/56/15/27/1022561527.db2.gz PQHNYUVCADIRQT-HXUWFJFHSA-N 1 0 323.392 3.902 20 10 DHCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000183935490 1022566220 /nfs/dbraw/zinc/56/62/20/1022566220.db2.gz XYJQFUXSYOTLHF-AWEZNQCLSA-N 1 0 305.462 3.984 20 10 DHCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000763650300 1022680796 /nfs/dbraw/zinc/68/07/96/1022680796.db2.gz YOBLBNIKIDTMDK-NSHDSACASA-N 1 0 310.235 3.919 20 10 DHCDRO Cc1noc([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000068962495 1022829148 /nfs/dbraw/zinc/82/91/48/1022829148.db2.gz USUAREDCKOHUQX-HNNXBMFYSA-N 1 0 323.396 3.616 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CC3CCC2CC3)ccc1OC ZINC000767930860 1022842715 /nfs/dbraw/zinc/84/27/15/1022842715.db2.gz YTWIMEKNTPTVHV-PVARCSIZSA-N 1 0 303.446 3.900 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccc(F)nc1)C1CCCC1 ZINC000189347749 1022848093 /nfs/dbraw/zinc/84/80/93/1022848093.db2.gz JKHDGYSKJHOGDD-UHFFFAOYSA-N 1 0 300.377 3.871 20 10 DHCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172321780 1033086803 /nfs/dbraw/zinc/08/68/03/1033086803.db2.gz OXTYTKVOBBUTEX-IRXDYDNUSA-N 1 0 304.478 3.970 20 10 DHCDRO Cc1cc(C)c(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)c(O)c1 ZINC001169982854 1022883448 /nfs/dbraw/zinc/88/34/48/1022883448.db2.gz WQBCSRCPYBTVBA-UHFFFAOYSA-N 1 0 306.450 3.509 20 10 DHCDRO CC[N@H+](Cc1sccc1OC)Cc1ccc(N(C)C)cc1 ZINC000768134710 1022902465 /nfs/dbraw/zinc/90/24/65/1022902465.db2.gz TTWHKCBVQSIBOE-UHFFFAOYSA-N 1 0 304.459 3.845 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000768162062 1022908131 /nfs/dbraw/zinc/90/81/31/1022908131.db2.gz KGVAPDDWDAUUQL-SJLPKXTDSA-N 1 0 301.430 3.730 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1F ZINC000768200674 1022913703 /nfs/dbraw/zinc/91/37/03/1022913703.db2.gz OIAJANLTRNBEHU-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000768206734 1022915637 /nfs/dbraw/zinc/91/56/37/1022915637.db2.gz DPUOONFPNRKCMG-LBPRGKRZSA-N 1 0 303.427 3.972 20 10 DHCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)c(C)cc1O ZINC000768198560 1022924896 /nfs/dbraw/zinc/92/48/96/1022924896.db2.gz VMEMGADPOGZRPG-UHFFFAOYSA-N 1 0 313.397 3.760 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)CCOc2ccccc2Cl)c1 ZINC000768212430 1022926268 /nfs/dbraw/zinc/92/62/68/1022926268.db2.gz IYVMEWIBYPQWSZ-UHFFFAOYSA-N 1 0 305.805 3.865 20 10 DHCDRO CCOc1ccc(C[N@H+](C)CCOc2ccccc2C)c(O)c1 ZINC000768214000 1022927823 /nfs/dbraw/zinc/92/78/23/1022927823.db2.gz XYDHSQBKOYIKIU-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768261232 1022936017 /nfs/dbraw/zinc/93/60/17/1022936017.db2.gz AHTNLKADCVTLOK-WBVHZDCISA-N 1 0 320.452 3.673 20 10 DHCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768243087 1022938354 /nfs/dbraw/zinc/93/83/54/1022938354.db2.gz DDCOWDNEZVGBEV-HXUWFJFHSA-N 1 0 315.505 3.593 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1CO ZINC000857061283 1022939823 /nfs/dbraw/zinc/93/98/23/1022939823.db2.gz NNNZKCDVUUCCDL-DNVCBOLYSA-N 1 0 311.425 3.510 20 10 DHCDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768320396 1022944425 /nfs/dbraw/zinc/94/44/25/1022944425.db2.gz ULIPDCLOGGBURD-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC=CO1 ZINC000191057024 1022946345 /nfs/dbraw/zinc/94/63/45/1022946345.db2.gz MTWNMULGWMSVNS-IBGZPJMESA-N 1 0 300.446 3.801 20 10 DHCDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768317127 1022950759 /nfs/dbraw/zinc/95/07/59/1022950759.db2.gz FFEUOQXZUOIFEJ-KRWDZBQOSA-N 1 0 320.452 3.673 20 10 DHCDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444647 1022968075 /nfs/dbraw/zinc/96/80/75/1022968075.db2.gz BAFVAKPBXHLAAC-OAHLLOKOSA-N 1 0 309.475 3.817 20 10 DHCDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464018 1022972403 /nfs/dbraw/zinc/97/24/03/1022972403.db2.gz YZVPWDIUGBLWOV-HNNXBMFYSA-N 1 0 307.434 3.954 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CC(C)C)cc1OC ZINC000768462998 1022972516 /nfs/dbraw/zinc/97/25/16/1022972516.db2.gz DLGAKIBIBQXEPI-HNNXBMFYSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[N@@H+]2CCSC3(CCCCC3)C2)c(O)cc1C ZINC000768463052 1022973656 /nfs/dbraw/zinc/97/36/56/1022973656.db2.gz FLWXKQWYZGQLDF-UHFFFAOYSA-N 1 0 321.486 3.961 20 10 DHCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000768519814 1022977897 /nfs/dbraw/zinc/97/78/97/1022977897.db2.gz IGWRVEGQJDMXJX-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912648 1023055479 /nfs/dbraw/zinc/05/54/79/1023055479.db2.gz ATNOTDBFHWAYCJ-VBQJREDUSA-N 1 0 322.880 3.883 20 10 DHCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1OCCc2ccccc21 ZINC000769021458 1023070899 /nfs/dbraw/zinc/07/08/99/1023070899.db2.gz JTMAZRMKEYNHJN-GOSISDBHSA-N 1 0 317.816 3.791 20 10 DHCDRO CCOc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)c1 ZINC000769059859 1023082316 /nfs/dbraw/zinc/08/23/16/1023082316.db2.gz MSVZMPLBJWVQQG-UHFFFAOYSA-N 1 0 307.434 3.570 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000769105160 1023085319 /nfs/dbraw/zinc/08/53/19/1023085319.db2.gz NBRUKCKNEJDYID-KRWDZBQOSA-N 1 0 313.397 3.834 20 10 DHCDRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769311205 1023119772 /nfs/dbraw/zinc/11/97/72/1023119772.db2.gz ZQJZTBKKOYPINN-OXJNMPFZSA-N 1 0 310.441 3.715 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1C ZINC000184785357 1023119903 /nfs/dbraw/zinc/11/99/03/1023119903.db2.gz VPDLNQWGFHDVOP-UHFFFAOYSA-N 1 0 321.424 3.983 20 10 DHCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769326411 1023123091 /nfs/dbraw/zinc/12/30/91/1023123091.db2.gz LWORMTMEONCFKU-INIZCTEOSA-N 1 0 312.457 3.824 20 10 DHCDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1=CC(=O)CS1 ZINC000769366494 1023132242 /nfs/dbraw/zinc/13/22/42/1023132242.db2.gz UCRGZPJZVMRPNA-UHFFFAOYSA-N 1 0 316.426 3.610 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000769386744 1023137589 /nfs/dbraw/zinc/13/75/89/1023137589.db2.gz GCHVBDDMYKZBKY-UHFFFAOYSA-N 1 0 303.427 3.801 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000769387721 1023137844 /nfs/dbraw/zinc/13/78/44/1023137844.db2.gz AUJMDROOMAGYNZ-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000769390587 1023139484 /nfs/dbraw/zinc/13/94/84/1023139484.db2.gz ZGLWJECUJOGTDY-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769389499 1023140137 /nfs/dbraw/zinc/14/01/37/1023140137.db2.gz PJHDGUQHBJLCIG-CQSZACIVSA-N 1 0 303.406 3.569 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1C ZINC000769415009 1023144654 /nfs/dbraw/zinc/14/46/54/1023144654.db2.gz MVKLYVDBMMRRNB-TZMCWYRMSA-N 1 0 322.449 3.573 20 10 DHCDRO COc1cccc(O)c1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000769426286 1023146230 /nfs/dbraw/zinc/14/62/30/1023146230.db2.gz DXJBGXSIOFAEAO-UHFFFAOYSA-N 1 0 315.388 3.747 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000769481889 1023152556 /nfs/dbraw/zinc/15/25/56/1023152556.db2.gz ANRPKFDXLQNIKQ-YLJYHZDGSA-N 1 0 317.521 3.695 20 10 DHCDRO CC1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769488683 1023154413 /nfs/dbraw/zinc/15/44/13/1023154413.db2.gz IUAMQBDIVGKMQR-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO C[C@H]1[N@H+](Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451810 1023155946 /nfs/dbraw/zinc/15/59/46/1023155946.db2.gz OHBLEJLGSYDMRN-MRXNPFEDSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769452267 1023157610 /nfs/dbraw/zinc/15/76/10/1023157610.db2.gz UVDQUBFFVYESRR-SJORKVTESA-N 1 0 302.462 3.534 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000769541502 1023166744 /nfs/dbraw/zinc/16/67/44/1023166744.db2.gz CCTQFIQIFCGTKK-OAQYLSRUSA-N 1 0 324.468 3.670 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(O)c1 ZINC000769499961 1023166976 /nfs/dbraw/zinc/16/69/76/1023166976.db2.gz YAADKMRHWLUSCP-NVXWUHKLSA-N 1 0 307.459 3.651 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1O ZINC000769508682 1023170931 /nfs/dbraw/zinc/17/09/31/1023170931.db2.gz UPABIXVUNGQLCT-INIZCTEOSA-N 1 0 301.361 3.877 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769513565 1023171710 /nfs/dbraw/zinc/17/17/10/1023171710.db2.gz BQWFNCJLJWPRGI-RTBURBONSA-N 1 0 323.436 3.918 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1F ZINC000769541270 1023175922 /nfs/dbraw/zinc/17/59/22/1023175922.db2.gz SXEKMBRYFWBXBW-UHFFFAOYSA-N 1 0 320.452 3.674 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000780527675 1023198207 /nfs/dbraw/zinc/19/82/07/1023198207.db2.gz RCESLAVGZUMGEI-FUHWJXTLSA-N 1 0 311.425 3.902 20 10 DHCDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000162765672 1023208991 /nfs/dbraw/zinc/20/89/91/1023208991.db2.gz NTJVRFQAUOOOFJ-VQIMIIECSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000769929618 1023248346 /nfs/dbraw/zinc/24/83/46/1023248346.db2.gz DQZPHLFNAZOJOM-UZLBHIALSA-N 1 0 312.457 3.790 20 10 DHCDRO O=[N+]([O-])c1cc(C[NH+]2CCCCC2)ccc1N1CCCCC1 ZINC000770393623 1023303741 /nfs/dbraw/zinc/30/37/41/1023303741.db2.gz DQTIAMPXMQEEDG-UHFFFAOYSA-N 1 0 303.406 3.571 20 10 DHCDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000770429805 1023310450 /nfs/dbraw/zinc/31/04/50/1023310450.db2.gz NVQGJCRFDFYVAJ-OAHLLOKOSA-N 1 0 303.789 3.886 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2cnccc2C)ccc1OC ZINC000770744768 1023347308 /nfs/dbraw/zinc/34/73/08/1023347308.db2.gz BIILGNPWCSPZNK-OAHLLOKOSA-N 1 0 314.429 3.786 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2(c3ccccn3)CCC2)cc1Cl ZINC000825893231 1033125331 /nfs/dbraw/zinc/12/53/31/1033125331.db2.gz SLIAUSZBKVRWCJ-UHFFFAOYSA-N 1 0 316.832 3.961 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC000825893159 1033126339 /nfs/dbraw/zinc/12/63/39/1033126339.db2.gz QKPDBVRNKYCCQI-UHFFFAOYSA-N 1 0 309.837 3.745 20 10 DHCDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876738825 1033132419 /nfs/dbraw/zinc/13/24/19/1033132419.db2.gz BMDQEADJAMSODI-HXUWFJFHSA-N 1 0 316.489 3.658 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000125323438 1023476903 /nfs/dbraw/zinc/47/69/03/1023476903.db2.gz AWONDXOFYZQCAV-MRXNPFEDSA-N 1 0 315.413 3.555 20 10 DHCDRO CC[C@H](C)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000771828040 1023478141 /nfs/dbraw/zinc/47/81/41/1023478141.db2.gz PSMNGCRNESVEGI-ZDUSSCGKSA-N 1 0 312.404 3.893 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)cc1 ZINC000771933504 1023489734 /nfs/dbraw/zinc/48/97/34/1023489734.db2.gz KLFMUWLCVYBGRW-QGZVFWFLSA-N 1 0 313.397 3.747 20 10 DHCDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876773054 1033139913 /nfs/dbraw/zinc/13/99/13/1033139913.db2.gz VJDVPDASXGJRBF-QGZVFWFLSA-N 1 0 316.489 3.660 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000772470235 1023558414 /nfs/dbraw/zinc/55/84/14/1023558414.db2.gz CBZYLBNGJOGMKK-VDZJLULYSA-N 1 0 304.478 3.997 20 10 DHCDRO CC[C@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000785985307 1023648650 /nfs/dbraw/zinc/64/86/50/1023648650.db2.gz UZVRDZWZTBZWLG-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO CC[C@H](CC(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172407131 1033156216 /nfs/dbraw/zinc/15/62/16/1033156216.db2.gz NGTNYOHDPVFEML-GOSISDBHSA-N 1 0 304.478 3.780 20 10 DHCDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786811717 1023730887 /nfs/dbraw/zinc/73/08/87/1023730887.db2.gz ALABKXHUFBMWJK-NTEUORMPSA-N 1 0 324.380 3.723 20 10 DHCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000786821886 1023731152 /nfs/dbraw/zinc/73/11/52/1023731152.db2.gz SWLOQXJIQXQKFG-KKSFZXQISA-N 1 0 324.468 3.935 20 10 DHCDRO Cc1nc(F)ccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787087269 1023755653 /nfs/dbraw/zinc/75/56/53/1023755653.db2.gz OOKKBUJSXZZGGM-UHFFFAOYSA-N 1 0 313.420 3.760 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)cn2)cc1 ZINC000787151586 1023764544 /nfs/dbraw/zinc/76/45/44/1023764544.db2.gz IEDBUAVKOUCZSI-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000788258748 1023865722 /nfs/dbraw/zinc/86/57/22/1023865722.db2.gz IULGUTXEGKYKLW-CRAIPNDOSA-N 1 0 314.477 3.577 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000788268467 1023870206 /nfs/dbraw/zinc/87/02/06/1023870206.db2.gz ZGOWQMKTPYUBHX-HNNXBMFYSA-N 1 0 321.852 3.617 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788519953 1023899886 /nfs/dbraw/zinc/89/98/86/1023899886.db2.gz OYCHYJUARVETNK-CQSZACIVSA-N 1 0 300.402 3.654 20 10 DHCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000788542362 1023902591 /nfs/dbraw/zinc/90/25/91/1023902591.db2.gz MXYTVSXMXWRACN-KRWDZBQOSA-N 1 0 302.487 3.828 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)c(O)c1 ZINC000788527207 1023905778 /nfs/dbraw/zinc/90/57/78/1023905778.db2.gz IGMXWTLGXMRLPN-COXVUDFISA-N 1 0 304.478 3.780 20 10 DHCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)ccn1 ZINC000788527464 1023906758 /nfs/dbraw/zinc/90/67/58/1023906758.db2.gz VZEURSVDSYKQIW-OAHLLOKOSA-N 1 0 311.429 3.541 20 10 DHCDRO c1ccc(N2CCC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000788531725 1023906942 /nfs/dbraw/zinc/90/69/42/1023906942.db2.gz GCONWGDHXWSTMD-GOSISDBHSA-N 1 0 322.452 3.628 20 10 DHCDRO CC1=CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000788566054 1023907996 /nfs/dbraw/zinc/90/79/96/1023907996.db2.gz YEHAVNGNHATFON-SJLPKXTDSA-N 1 0 300.446 3.673 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788584101 1023909047 /nfs/dbraw/zinc/90/90/47/1023909047.db2.gz MWXARQCDCDRNPU-AWEZNQCLSA-N 1 0 319.811 3.717 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1F ZINC000788593440 1023910574 /nfs/dbraw/zinc/91/05/74/1023910574.db2.gz PRUXRVHOLGFQKP-KSSFIOAISA-N 1 0 308.441 3.719 20 10 DHCDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000788969775 1023955581 /nfs/dbraw/zinc/95/55/81/1023955581.db2.gz NNWUHBCWMJMQET-UHFFFAOYSA-N 1 0 310.397 3.797 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278858267 1023968858 /nfs/dbraw/zinc/96/88/58/1023968858.db2.gz WEQGJDITEOVYHY-DTWKUNHWSA-N 1 0 314.216 3.844 20 10 DHCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000788980890 1023971218 /nfs/dbraw/zinc/97/12/18/1023971218.db2.gz OYNNRTMGAOTPCO-CYBMUJFWSA-N 1 0 316.367 3.864 20 10 DHCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1OC(C)C ZINC000876925909 1033182980 /nfs/dbraw/zinc/18/29/80/1033182980.db2.gz HAQIHBGACRIEQQ-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000876906738 1033181140 /nfs/dbraw/zinc/18/11/40/1033181140.db2.gz HABUVWMJRUJIMY-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882986599 1024194447 /nfs/dbraw/zinc/19/44/47/1024194447.db2.gz DHOWPAARXACBKA-OAHLLOKOSA-N 1 0 305.324 3.511 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000268929000 1024198813 /nfs/dbraw/zinc/19/88/13/1024198813.db2.gz SHMGIIQSJJNNIA-HNNXBMFYSA-N 1 0 308.429 3.560 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268970313 1024207185 /nfs/dbraw/zinc/20/71/85/1024207185.db2.gz MTMTTXGUSBLFTR-GOSISDBHSA-N 1 0 314.473 3.868 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1C ZINC000269312275 1024261412 /nfs/dbraw/zinc/26/14/12/1024261412.db2.gz GEEYBECGPQJDMQ-INIZCTEOSA-N 1 0 321.486 3.543 20 10 DHCDRO CCSc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000883237252 1024310749 /nfs/dbraw/zinc/31/07/49/1024310749.db2.gz WORAVBQGXYKMJU-UHFFFAOYSA-N 1 0 317.410 3.523 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000270113830 1024352527 /nfs/dbraw/zinc/35/25/27/1024352527.db2.gz NKLSYNADNVLEJK-FIKIJFGZSA-N 1 0 323.845 3.634 20 10 DHCDRO CCOCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000131494295 1024371024 /nfs/dbraw/zinc/37/10/24/1024371024.db2.gz YQLUDKVDLFATBX-HNNXBMFYSA-N 1 0 308.441 3.893 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000270648019 1024412248 /nfs/dbraw/zinc/41/22/48/1024412248.db2.gz LCOOTJZQIVRAPV-MAUKXSAKSA-N 1 0 321.461 3.864 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c(O)c1 ZINC000790995114 1024415905 /nfs/dbraw/zinc/41/59/05/1024415905.db2.gz MGXJVERHJKJACO-KRWDZBQOSA-N 1 0 319.445 3.762 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c(O)c1 ZINC000883382686 1024416319 /nfs/dbraw/zinc/41/63/19/1024416319.db2.gz LIFHBOAPCFODTQ-HKUYNNGSSA-N 1 0 315.388 3.906 20 10 DHCDRO C[C@@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)[NH+]1CCCCC1 ZINC000790986569 1024425796 /nfs/dbraw/zinc/42/57/96/1024425796.db2.gz PVAWKYVQKQCOEQ-LBPRGKRZSA-N 1 0 314.832 3.539 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000271663060 1024557683 /nfs/dbraw/zinc/55/76/83/1024557683.db2.gz LNMWZIVQQFHKPP-LLVKDONJSA-N 1 0 317.360 3.593 20 10 DHCDRO CCC[N@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1O ZINC000792165222 1024641525 /nfs/dbraw/zinc/64/15/25/1024641525.db2.gz NEKXRWAERKETQG-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3O)c2cc1C ZINC000109768981 1024695415 /nfs/dbraw/zinc/69/54/15/1024695415.db2.gz NOOLGKNVWMIBAS-UHFFFAOYSA-N 1 0 323.392 3.747 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCCC2)n1 ZINC000112711152 1024782267 /nfs/dbraw/zinc/78/22/67/1024782267.db2.gz DDNJRPFBLIAAME-UHFFFAOYSA-N 1 0 314.454 3.946 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccco2)c(C(F)(F)F)c1 ZINC000792777249 1024795405 /nfs/dbraw/zinc/79/54/05/1024795405.db2.gz MSGUFWDYIZEDAN-UHFFFAOYSA-N 1 0 312.335 3.996 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000877116530 1033244716 /nfs/dbraw/zinc/24/47/16/1033244716.db2.gz PMBFSRISKQJIPK-SFHVURJKSA-N 1 0 313.441 3.593 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000119106847 1024950025 /nfs/dbraw/zinc/95/00/25/1024950025.db2.gz OKUKTIKMEYAAOM-IIBYNOLFSA-N 1 0 322.452 3.861 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793303898 1024977296 /nfs/dbraw/zinc/97/72/96/1024977296.db2.gz HEHWBAGTDQISQT-MRXNPFEDSA-N 1 0 301.361 3.707 20 10 DHCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000793369501 1025009100 /nfs/dbraw/zinc/00/91/00/1025009100.db2.gz IYMUFVSCPJPUEA-GOSISDBHSA-N 1 0 316.489 3.781 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1ccc(Br)cc1F ZINC000134236318 1025029719 /nfs/dbraw/zinc/02/97/19/1025029719.db2.gz CMRZSYRTDOQZMZ-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793386455 1025030220 /nfs/dbraw/zinc/03/02/20/1025030220.db2.gz RABBHHDBSCGGMC-UHFFFAOYSA-N 1 0 315.413 3.870 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000793390333 1025031256 /nfs/dbraw/zinc/03/12/56/1025031256.db2.gz OULMHMPHVDNXFO-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1O ZINC000279609478 1025091228 /nfs/dbraw/zinc/09/12/28/1025091228.db2.gz XFCPLPZUPKYPBW-DOTOQJQBSA-N 1 0 323.795 3.959 20 10 DHCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000793564186 1025103714 /nfs/dbraw/zinc/10/37/14/1025103714.db2.gz JRPUOGIMTPMMPQ-HNNXBMFYSA-N 1 0 320.452 3.772 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793567242 1025104765 /nfs/dbraw/zinc/10/47/65/1025104765.db2.gz IEBNHVMQXXJZIY-LJQANCHMSA-N 1 0 322.456 3.912 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000793590299 1025117398 /nfs/dbraw/zinc/11/73/98/1025117398.db2.gz ONEWUCCMVXCKRO-AWEZNQCLSA-N 1 0 312.461 3.691 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000279643240 1025119968 /nfs/dbraw/zinc/11/99/68/1025119968.db2.gz DCLVITAZGYQMSS-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc1Cl ZINC000825944092 1033267836 /nfs/dbraw/zinc/26/78/36/1033267836.db2.gz PTUGXVYXMKRPPP-DIFFPNOSSA-N 1 0 303.789 3.966 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)cc1O ZINC000279902778 1025310953 /nfs/dbraw/zinc/31/09/53/1025310953.db2.gz HERCZYIAQROITL-UWVGGRQHSA-N 1 0 316.264 3.558 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885940673 1025413018 /nfs/dbraw/zinc/41/30/18/1025413018.db2.gz OWEZCRFPMYDJHP-AZUAARDMSA-N 1 0 314.473 3.535 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1C ZINC000136735492 1025477452 /nfs/dbraw/zinc/47/74/52/1025477452.db2.gz PXACJCJLEIPOAC-KRWDZBQOSA-N 1 0 303.446 3.981 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877337182 1033286988 /nfs/dbraw/zinc/28/69/88/1033286988.db2.gz RFYIDJALDBGNGD-HKUYNNGSSA-N 1 0 315.388 3.850 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2onc(C)c2c1 ZINC000893872138 1025586240 /nfs/dbraw/zinc/58/62/40/1025586240.db2.gz PWBBHEMVFFEYEM-UHFFFAOYSA-N 1 0 324.428 3.619 20 10 DHCDRO COc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)c1OC ZINC000893887806 1025590849 /nfs/dbraw/zinc/59/08/49/1025590849.db2.gz OMRSXVKODDAXCK-UHFFFAOYSA-N 1 0 305.418 3.566 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000886362979 1025603644 /nfs/dbraw/zinc/60/36/44/1025603644.db2.gz VSAMLYZJYNGHLS-KRWDZBQOSA-N 1 0 301.361 3.707 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805749233 1025658419 /nfs/dbraw/zinc/65/84/19/1025658419.db2.gz WWTGLVQNWVSVPO-NVXWUHKLSA-N 1 0 319.832 3.690 20 10 DHCDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236906715 1025722291 /nfs/dbraw/zinc/72/22/91/1025722291.db2.gz OLHQTSNYMACYRO-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1 ZINC000236934557 1025762019 /nfs/dbraw/zinc/76/20/19/1025762019.db2.gz RJPFDMQDRYLTCU-FQEVSTJZSA-N 1 0 312.457 3.530 20 10 DHCDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000806131167 1025775186 /nfs/dbraw/zinc/77/51/86/1025775186.db2.gz HSBYPKMIHVNJQU-DOTOQJQBSA-N 1 0 320.452 3.577 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141070 1025801214 /nfs/dbraw/zinc/80/12/14/1025801214.db2.gz FOZIFMJCQJCUJV-WWGRRREGSA-N 1 0 310.869 3.959 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806169109 1025824637 /nfs/dbraw/zinc/82/46/37/1025824637.db2.gz IGQRCWAEGNLXPZ-SJLPKXTDSA-N 1 0 304.478 3.592 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180801 1025833709 /nfs/dbraw/zinc/83/37/09/1025833709.db2.gz SSLXFZZQFMAMLC-UKRRQHHQSA-N 1 0 319.832 3.781 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000806180968 1025833859 /nfs/dbraw/zinc/83/38/59/1025833859.db2.gz UNHISIHBSRWCCA-ZFWWWQNUSA-N 1 0 319.832 3.781 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000806179382 1025836300 /nfs/dbraw/zinc/83/63/00/1025836300.db2.gz CEXKOLXHFUZDFQ-AAEUAGOBSA-N 1 0 323.795 3.611 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000886774847 1025892738 /nfs/dbraw/zinc/89/27/38/1025892738.db2.gz WSIMFKUSURUFQP-CXAGYDPISA-N 1 0 307.409 3.921 20 10 DHCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC2(CCC2)C1 ZINC000886777017 1025899180 /nfs/dbraw/zinc/89/91/80/1025899180.db2.gz VXYVXQGKHLPAJI-YJBOKZPZSA-N 1 0 301.430 3.709 20 10 DHCDRO CCOC[C@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000729682694 1025939236 /nfs/dbraw/zinc/93/92/36/1025939236.db2.gz ZIXRGOBYVFCKRL-HNNXBMFYSA-N 1 0 300.446 3.917 20 10 DHCDRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886825030 1025949313 /nfs/dbraw/zinc/94/93/13/1025949313.db2.gz LBJCQXSHYWPZBO-CQSZACIVSA-N 1 0 318.436 3.646 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1O ZINC000841746331 1026033330 /nfs/dbraw/zinc/03/33/30/1026033330.db2.gz DQGWVDIHGJBHIB-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO COc1cc(C[NH+]2CC3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826535548 1026107592 /nfs/dbraw/zinc/10/75/92/1026107592.db2.gz ZPJBXTJNWHQOKT-UHFFFAOYSA-N 1 0 311.372 3.539 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245711973 1026151873 /nfs/dbraw/zinc/15/18/73/1026151873.db2.gz GDUHADOYZBSRBI-AZUAARDMSA-N 1 0 314.473 3.678 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1O ZINC000289744109 1026154850 /nfs/dbraw/zinc/15/48/50/1026154850.db2.gz QIHAGTJZELWBNR-VAMGGRTRSA-N 1 0 323.436 3.705 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1C ZINC000122123866 1026172177 /nfs/dbraw/zinc/17/21/77/1026172177.db2.gz ZSPRRPJCYMICQE-KRWDZBQOSA-N 1 0 303.427 3.644 20 10 DHCDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894153858 1026198379 /nfs/dbraw/zinc/19/83/79/1026198379.db2.gz OBCHECDYBLQBMS-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894162078 1026211765 /nfs/dbraw/zinc/21/17/65/1026211765.db2.gz XGFZFJGIQLXXHS-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000808190857 1026221544 /nfs/dbraw/zinc/22/15/44/1026221544.db2.gz KHRUJEJBKZXHMG-DNVCBOLYSA-N 1 0 310.441 3.604 20 10 DHCDRO CCOC1CC([N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000808212047 1026234112 /nfs/dbraw/zinc/23/41/12/1026234112.db2.gz IINZPSOXINGQPG-UHFFFAOYSA-N 1 0 315.413 3.553 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC000289953822 1026248878 /nfs/dbraw/zinc/24/88/78/1026248878.db2.gz YTALMUJTZBQNAX-UHFFFAOYSA-N 1 0 309.837 3.745 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000808444762 1026287906 /nfs/dbraw/zinc/28/79/06/1026287906.db2.gz KHHVAHNXLBCRST-UTKZUKDTSA-N 1 0 324.468 3.889 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000237072035 1026294213 /nfs/dbraw/zinc/29/42/13/1026294213.db2.gz HUVYSXRHWXLOLF-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1OC ZINC000894173983 1026318326 /nfs/dbraw/zinc/31/83/26/1026318326.db2.gz SOMAFAXLPWRILT-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)C2CCCC2)c1O ZINC000808691517 1026349048 /nfs/dbraw/zinc/34/90/48/1026349048.db2.gz IRYYCFHKZKOLBU-ZDUSSCGKSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccccc2O)c1O ZINC000808689393 1026349515 /nfs/dbraw/zinc/34/95/15/1026349515.db2.gz BOHZNYMUFNWYTA-GFCCVEGCSA-N 1 0 305.805 3.953 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000808675751 1026354125 /nfs/dbraw/zinc/35/41/25/1026354125.db2.gz RDVGSYNQEAWBBP-KBPBESRZSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000808707242 1026358760 /nfs/dbraw/zinc/35/87/60/1026358760.db2.gz IVGJPWGCBFQPED-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1O ZINC000808710614 1026359678 /nfs/dbraw/zinc/35/96/78/1026359678.db2.gz SJCGKVCWRVBNSD-LRDDRELGSA-N 1 0 311.853 3.802 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000808721600 1026367555 /nfs/dbraw/zinc/36/75/55/1026367555.db2.gz PAVALESGFADKJE-YRNRMSPPSA-N 1 0 312.457 3.915 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1O ZINC000808697529 1026372667 /nfs/dbraw/zinc/37/26/67/1026372667.db2.gz MHHSMFOIBZQHAG-GFCCVEGCSA-N 1 0 307.825 3.982 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808699063 1026373548 /nfs/dbraw/zinc/37/35/48/1026373548.db2.gz RKGWDXCPTYDQJH-CYBMUJFWSA-N 1 0 321.852 3.990 20 10 DHCDRO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1O ZINC000808729356 1026382132 /nfs/dbraw/zinc/38/21/32/1026382132.db2.gz ZAUZJIWPGUBFLR-IINYFYTJSA-N 1 0 321.779 3.839 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1O ZINC000808729355 1026382765 /nfs/dbraw/zinc/38/27/65/1026382765.db2.gz ZAUZJIWPGUBFLR-HZMBPMFUSA-N 1 0 321.779 3.839 20 10 DHCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000808733627 1026384338 /nfs/dbraw/zinc/38/43/38/1026384338.db2.gz YXUIZZPSDBOWNU-KCQAQPDRSA-N 1 0 308.441 3.790 20 10 DHCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000808733628 1026385065 /nfs/dbraw/zinc/38/50/65/1026385065.db2.gz YXUIZZPSDBOWNU-VNHYZAJKSA-N 1 0 308.441 3.790 20 10 DHCDRO C[C@@H](CO)[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1CCC1 ZINC000809664718 1026589006 /nfs/dbraw/zinc/58/90/06/1026589006.db2.gz JAZLTXWPBLZEEJ-KRWDZBQOSA-N 1 0 316.489 3.660 20 10 DHCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809755624 1026615810 /nfs/dbraw/zinc/61/58/10/1026615810.db2.gz AHVUSBVSJAODEF-HXUWFJFHSA-N 1 0 316.489 3.804 20 10 DHCDRO CCCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000809764393 1026620146 /nfs/dbraw/zinc/62/01/46/1026620146.db2.gz FXEHZALMLAJSSG-HXUWFJFHSA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)c(C)c1OC ZINC000809780325 1026623110 /nfs/dbraw/zinc/62/31/10/1026623110.db2.gz UQLCJFFJBLIBII-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788469 1026627657 /nfs/dbraw/zinc/62/76/57/1026627657.db2.gz RNXPUTYVLZVKBL-BZNIZROVSA-N 1 0 303.789 3.966 20 10 DHCDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000810133781 1026684934 /nfs/dbraw/zinc/68/49/34/1026684934.db2.gz LUUAJQSTIQGDNC-VQIMIIECSA-N 1 0 314.473 3.605 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000810169258 1026691303 /nfs/dbraw/zinc/69/13/03/1026691303.db2.gz NBBKHHYLRJRWRJ-UXHICEINSA-N 1 0 310.441 3.763 20 10 DHCDRO CC[C@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810211369 1026707684 /nfs/dbraw/zinc/70/76/84/1026707684.db2.gz QDEJNSSEIXFBAO-ZDUSSCGKSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810213520 1026707870 /nfs/dbraw/zinc/70/78/70/1026707870.db2.gz UQOUUKVQEWXOJR-GXTWGEPZSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@H]([NH2+]CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810217498 1026709654 /nfs/dbraw/zinc/70/96/54/1026709654.db2.gz FOEKNHUVIKZVJQ-ZDUSSCGKSA-N 1 0 317.351 3.757 20 10 DHCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000810261692 1026720726 /nfs/dbraw/zinc/72/07/26/1026720726.db2.gz XVKZDGSUEQKKFM-ZBFHGGJFSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000810261691 1026721293 /nfs/dbraw/zinc/72/12/93/1026721293.db2.gz XVKZDGSUEQKKFM-HOCLYGCPSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1O ZINC000810238645 1026725105 /nfs/dbraw/zinc/72/51/05/1026725105.db2.gz RPWMJYWFDXGTBB-CYBMUJFWSA-N 1 0 305.340 3.614 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810238386 1026725563 /nfs/dbraw/zinc/72/55/63/1026725563.db2.gz ZUNLZJVVAXONPS-BXUZGUMPSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1O ZINC000810238646 1026725690 /nfs/dbraw/zinc/72/56/90/1026725690.db2.gz RPWMJYWFDXGTBB-ZDUSSCGKSA-N 1 0 305.340 3.614 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810238768 1026726103 /nfs/dbraw/zinc/72/61/03/1026726103.db2.gz MSCOHUPWMKBBFJ-YUTCNCBUSA-N 1 0 317.351 3.611 20 10 DHCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000810244163 1026728171 /nfs/dbraw/zinc/72/81/71/1026728171.db2.gz APCBNTOVGZJDBF-LSDHHAIUSA-N 1 0 304.478 3.650 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000810246919 1026728652 /nfs/dbraw/zinc/72/86/52/1026728652.db2.gz HIEVCQZTUUOYDR-ORYQWCPZSA-N 1 0 324.468 3.569 20 10 DHCDRO CC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccc(C)cc1O ZINC000810252438 1026729498 /nfs/dbraw/zinc/72/94/98/1026729498.db2.gz DNAWEYYLYAIQEX-CQSZACIVSA-N 1 0 306.431 3.544 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811518437 1027020516 /nfs/dbraw/zinc/02/05/16/1027020516.db2.gz KMHUVLYLQLKKHI-DOTOQJQBSA-N 1 0 321.848 3.888 20 10 DHCDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1OC(F)F ZINC000271887298 1027169813 /nfs/dbraw/zinc/16/98/13/1027169813.db2.gz QZPWZHRBIRXQHV-UHFFFAOYSA-N 1 0 323.314 3.652 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)c(O)c1 ZINC001170670942 1027220327 /nfs/dbraw/zinc/22/03/27/1027220327.db2.gz VZDUROAUBJGRNS-HNNXBMFYSA-N 1 0 317.379 3.934 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCF)c1O ZINC000812737813 1027382193 /nfs/dbraw/zinc/38/21/93/1027382193.db2.gz ZQUUYZLQXJLHIS-SNVBAGLBSA-N 1 0 304.203 3.863 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]CCCSc1nccs1 ZINC000812756366 1027396243 /nfs/dbraw/zinc/39/62/43/1027396243.db2.gz ZBAWSUWBUNEOTN-UHFFFAOYSA-N 1 0 312.435 3.563 20 10 DHCDRO CC(C)(C)[C@H]1CN(C(=O)c2ccccc2CC[NH3+])c2ccccc21 ZINC000574766400 1027424682 /nfs/dbraw/zinc/42/46/82/1027424682.db2.gz KFKSUMJMAISRLU-SFHVURJKSA-N 1 0 322.452 3.978 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000295838291 1027454211 /nfs/dbraw/zinc/45/42/11/1027454211.db2.gz AJWRUHMTLPKLGF-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000295855930 1027461555 /nfs/dbraw/zinc/46/15/55/1027461555.db2.gz BGGXDGYSLOBPHW-SECBINFHSA-N 1 0 314.282 3.796 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1nccs1 ZINC000894281225 1027528054 /nfs/dbraw/zinc/52/80/54/1027528054.db2.gz SHYWIDMFVMVCCP-INIZCTEOSA-N 1 0 306.431 3.581 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296221430 1027579283 /nfs/dbraw/zinc/57/92/83/1027579283.db2.gz ZUPCXKCKHVLJCS-INIZCTEOSA-N 1 0 312.413 3.743 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000296285786 1027598580 /nfs/dbraw/zinc/59/85/80/1027598580.db2.gz HNGMHWHUWQYHHJ-INIZCTEOSA-N 1 0 302.462 3.676 20 10 DHCDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccccc1O ZINC000158721475 1027620361 /nfs/dbraw/zinc/62/03/61/1027620361.db2.gz NKUZNCGAZPINIE-KRWDZBQOSA-N 1 0 320.820 3.778 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(Cl)cc3c1OCC3)CC2 ZINC000296490653 1027651803 /nfs/dbraw/zinc/65/18/03/1027651803.db2.gz PORAVQHQPHQZIJ-HNNXBMFYSA-N 1 0 315.800 3.758 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000296565713 1027671809 /nfs/dbraw/zinc/67/18/09/1027671809.db2.gz SMWABGVEEAYCGL-ZSZQSSIHSA-N 1 0 312.413 3.667 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000047828486 1027705340 /nfs/dbraw/zinc/70/53/40/1027705340.db2.gz YBKYVTCKBLGHKL-AWEZNQCLSA-N 1 0 324.424 3.739 20 10 DHCDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000778984774 1027712245 /nfs/dbraw/zinc/71/22/45/1027712245.db2.gz KIECYALTLWMBOT-MJGOQNOKSA-N 1 0 316.489 3.924 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1C ZINC000813861350 1027732489 /nfs/dbraw/zinc/73/24/89/1027732489.db2.gz RGUYQCZOWXDZHE-IIYDPXPESA-N 1 0 324.415 3.891 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000778995554 1027732801 /nfs/dbraw/zinc/73/28/01/1027732801.db2.gz ZFVXCJANURKEJA-AEFFLSMTSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000778999470 1027744490 /nfs/dbraw/zinc/74/44/90/1027744490.db2.gz NAFMFXJRDVHSRR-SFHVURJKSA-N 1 0 315.388 3.713 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813877312 1027747742 /nfs/dbraw/zinc/74/77/42/1027747742.db2.gz RNHBWUDSOFSEFW-VHSXEESVSA-N 1 0 305.249 3.547 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877924 1027747985 /nfs/dbraw/zinc/74/79/85/1027747985.db2.gz HLSVTFHMEXZZMH-MFKMUULPSA-N 1 0 319.276 3.937 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000813883494 1027751835 /nfs/dbraw/zinc/75/18/35/1027751835.db2.gz NRKMDCHWOMYVFA-WMLDXEAASA-N 1 0 314.404 3.851 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364580514 1027844657 /nfs/dbraw/zinc/84/46/57/1027844657.db2.gz OOHHIRMAEGQQAH-DKICVRJWSA-N 1 0 311.425 3.647 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000364621020 1027854290 /nfs/dbraw/zinc/85/42/90/1027854290.db2.gz GIDXNIKYJMJJQV-CRAIPNDOSA-N 1 0 301.386 3.818 20 10 DHCDRO COCC(C)(C)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000814178287 1027914291 /nfs/dbraw/zinc/91/42/91/1027914291.db2.gz KRMBVAIUVDDKBK-UHFFFAOYSA-N 1 0 318.383 3.628 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000814177526 1027914389 /nfs/dbraw/zinc/91/43/89/1027914389.db2.gz FUHQKAHEQNOEKB-CQSZACIVSA-N 1 0 313.397 3.574 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000934197685 1027924838 /nfs/dbraw/zinc/92/48/38/1027924838.db2.gz FPNOPWVPFOCWMX-MRVPVSSYSA-N 1 0 310.806 3.556 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000814230447 1027966314 /nfs/dbraw/zinc/96/63/14/1027966314.db2.gz QSDKLKFIYVOWFK-GOSISDBHSA-N 1 0 312.413 3.687 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614510 1027981155 /nfs/dbraw/zinc/98/11/55/1027981155.db2.gz UMLMTZRKEKHVDW-UKRRQHHQSA-N 1 0 305.809 3.640 20 10 DHCDRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814297135 1027982385 /nfs/dbraw/zinc/98/23/85/1027982385.db2.gz CNZIGMGGNFVVDO-UHFFFAOYSA-N 1 0 322.468 3.824 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1O ZINC000528002717 1028029465 /nfs/dbraw/zinc/02/94/65/1028029465.db2.gz QLFYBCASHQUNPC-WFASDCNBSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(C)cc1O ZINC000366472212 1028083226 /nfs/dbraw/zinc/08/32/26/1028083226.db2.gz KZNDOIRGBFMRCL-ZOCIIQOWSA-N 1 0 311.425 3.962 20 10 DHCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000366475034 1028083385 /nfs/dbraw/zinc/08/33/85/1028083385.db2.gz OYYCCEHOUNOSQG-QFYYESIMSA-N 1 0 323.845 3.899 20 10 DHCDRO Cc1cc(C=C2CC[NH+](Cc3cc(F)ccc3O)CC2)no1 ZINC000368017336 1028274691 /nfs/dbraw/zinc/27/46/91/1028274691.db2.gz JSMREYKDUBCHRO-UHFFFAOYSA-N 1 0 302.349 3.507 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000779106054 1028283485 /nfs/dbraw/zinc/28/34/85/1028283485.db2.gz FOCZNOKHLGKJCA-UHFFFAOYSA-N 1 0 303.352 3.783 20 10 DHCDRO Cc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815050972 1028332129 /nfs/dbraw/zinc/33/21/29/1028332129.db2.gz HMZGOZYTDIUXFJ-SFHVURJKSA-N 1 0 314.429 3.536 20 10 DHCDRO Cc1cc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)ccc1N(C)C ZINC000815035016 1028339337 /nfs/dbraw/zinc/33/93/37/1028339337.db2.gz HBIHIAFDMOXUBF-MRXNPFEDSA-N 1 0 304.478 3.577 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000160001306 1028378061 /nfs/dbraw/zinc/37/80/61/1028378061.db2.gz QFMBVCKBZGUBET-MSOLQXFVSA-N 1 0 318.486 3.763 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000368815695 1028412004 /nfs/dbraw/zinc/41/20/04/1028412004.db2.gz GEDJBJRUEKEWKL-NRFANRHFSA-N 1 0 319.404 3.985 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1O ZINC000368819703 1028413681 /nfs/dbraw/zinc/41/36/81/1028413681.db2.gz XBDKDTAELKUHBX-ZDUSSCGKSA-N 1 0 309.837 3.745 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)nc2)cc1 ZINC000779147620 1028430855 /nfs/dbraw/zinc/43/08/55/1028430855.db2.gz HBJYHRKKMQPYGF-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769958 1028526864 /nfs/dbraw/zinc/52/68/64/1028526864.db2.gz CRTNFDAHPAQUGT-KDOFPFPSSA-N 1 0 313.445 3.958 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2cccc(F)c2)c(O)c1 ZINC000815563690 1028546795 /nfs/dbraw/zinc/54/67/95/1028546795.db2.gz LCBPKBBRNIITDR-AWEZNQCLSA-N 1 0 303.377 3.878 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)c1O ZINC000370020190 1028555634 /nfs/dbraw/zinc/55/56/34/1028555634.db2.gz MVOUMFZHMZLIHN-SUMWQHHRSA-N 1 0 317.816 3.665 20 10 DHCDRO CCc1cnc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000815584736 1028555654 /nfs/dbraw/zinc/55/56/54/1028555654.db2.gz NMQKRAYZKGYNSG-ZDUSSCGKSA-N 1 0 304.459 3.921 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ccon1 ZINC000815585185 1028556058 /nfs/dbraw/zinc/55/60/58/1028556058.db2.gz ALFBGROFMKCHDO-GOSISDBHSA-N 1 0 308.381 3.844 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000815585543 1028557025 /nfs/dbraw/zinc/55/70/25/1028557025.db2.gz KJZVMZPBAFWTNZ-CQSZACIVSA-N 1 0 307.434 3.782 20 10 DHCDRO Cn1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000815599245 1028564565 /nfs/dbraw/zinc/56/45/65/1028564565.db2.gz ONQIUATTZWREQO-IBGZPJMESA-N 1 0 321.424 3.589 20 10 DHCDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815645477 1028588912 /nfs/dbraw/zinc/58/89/12/1028588912.db2.gz HAOIWUQMBVQHEO-CHWSQXEVSA-N 1 0 314.832 3.575 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ncoc2-c2ccccc2)cc1C ZINC000370557605 1028618076 /nfs/dbraw/zinc/61/80/76/1028618076.db2.gz LDAXHFNSVULJEZ-UHFFFAOYSA-N 1 0 308.381 3.954 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000370553192 1028618699 /nfs/dbraw/zinc/61/86/99/1028618699.db2.gz CAHPKHOCRZUOSA-NVXWUHKLSA-N 1 0 324.424 3.867 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000371869749 1028769565 /nfs/dbraw/zinc/76/95/65/1028769565.db2.gz KEOUWNQXRLDQCK-SUMWQHHRSA-N 1 0 313.397 3.884 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336764 1028840943 /nfs/dbraw/zinc/84/09/43/1028840943.db2.gz JNXBPSBBSNEQSF-ZIAGYGMSSA-N 1 0 305.324 3.845 20 10 DHCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372418574 1028853586 /nfs/dbraw/zinc/85/35/86/1028853586.db2.gz WPBOCHKHVXEWJG-GFCCVEGCSA-N 1 0 302.443 3.600 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000372597054 1028876124 /nfs/dbraw/zinc/87/61/24/1028876124.db2.gz WOBCUEVFFHHXHI-ZBFHGGJFSA-N 1 0 318.442 3.682 20 10 DHCDRO Oc1c(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816492903 1028898947 /nfs/dbraw/zinc/89/89/47/1028898947.db2.gz JBXUMVKEENPHHL-SFHVURJKSA-N 1 0 310.441 3.606 20 10 DHCDRO COCc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816530957 1028922392 /nfs/dbraw/zinc/92/23/92/1028922392.db2.gz AYLWAZDDOWJSSK-UHFFFAOYSA-N 1 0 307.393 3.982 20 10 DHCDRO Oc1c(C[NH2+]CCc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816530523 1028924809 /nfs/dbraw/zinc/92/48/09/1028924809.db2.gz LEADINRXNHWMOM-UHFFFAOYSA-N 1 0 321.376 3.606 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC=C(C)CC3)CC2)cc1 ZINC000816545041 1028927625 /nfs/dbraw/zinc/92/76/25/1028927625.db2.gz AZWVNWPVRRKWLK-INIZCTEOSA-N 1 0 300.446 3.752 20 10 DHCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548439 1028928639 /nfs/dbraw/zinc/92/86/39/1028928639.db2.gz HTOPYOQQJLLWDM-AWEZNQCLSA-N 1 0 307.393 3.972 20 10 DHCDRO CCc1nc(CC[NH2+]Cc2ccc3ccccc3c2O)cs1 ZINC000816545587 1028928815 /nfs/dbraw/zinc/92/88/15/1028928815.db2.gz XCSOQDKUKFLHBX-UHFFFAOYSA-N 1 0 312.438 3.897 20 10 DHCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc2ccccc2c1O ZINC000816611192 1028960458 /nfs/dbraw/zinc/96/04/58/1028960458.db2.gz JXQIIJWAXOEHAJ-UHFFFAOYSA-N 1 0 324.424 3.702 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c(F)c1 ZINC000568034565 1028994423 /nfs/dbraw/zinc/99/44/23/1028994423.db2.gz XTCHGVAIBALZMX-UHFFFAOYSA-N 1 0 312.388 3.924 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2COc3cccc(F)c32)c(O)c1 ZINC000373285188 1028996082 /nfs/dbraw/zinc/99/60/82/1028996082.db2.gz OLTMGBVRQGOSHF-HNNXBMFYSA-N 1 0 317.360 3.543 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(O)cc1C ZINC000817363514 1029145626 /nfs/dbraw/zinc/14/56/26/1029145626.db2.gz FCIWYFZEJCDMHA-GFCCVEGCSA-N 1 0 317.351 3.874 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000817411686 1029153400 /nfs/dbraw/zinc/15/34/00/1029153400.db2.gz UGLHACJFDMFKCD-IDOMTICXSA-N 1 0 316.514 3.889 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1O ZINC000218476964 1029196545 /nfs/dbraw/zinc/19/65/45/1029196545.db2.gz XIOAUVFQNDUHCV-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO COC1([C@H](C)[NH2+]CCCSc2nccs2)CCCCC1 ZINC000817577349 1029203755 /nfs/dbraw/zinc/20/37/55/1029203755.db2.gz ILLKIKDERCKKLR-ZDUSSCGKSA-N 1 0 314.520 3.953 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000817938117 1029282843 /nfs/dbraw/zinc/28/28/43/1029282843.db2.gz DUQYPXKLKKDKBE-FZKQIMNGSA-N 1 0 317.502 3.782 20 10 DHCDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000817941104 1029283503 /nfs/dbraw/zinc/28/35/03/1029283503.db2.gz IUXTZEBIDQFUDN-UZLBHIALSA-N 1 0 311.473 3.720 20 10 DHCDRO CC(C)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817941090 1029283597 /nfs/dbraw/zinc/28/35/97/1029283597.db2.gz IQPGBPGTWWDMBL-UXHICEINSA-N 1 0 311.473 3.739 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(C)c1 ZINC000817942007 1029286480 /nfs/dbraw/zinc/28/64/80/1029286480.db2.gz MAAKPXDFVHRIRG-UXHICEINSA-N 1 0 311.473 3.802 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000817943891 1029287603 /nfs/dbraw/zinc/28/76/03/1029287603.db2.gz WKNWQXXODQZVIF-DVMWJLJYSA-N 1 0 323.484 3.534 20 10 DHCDRO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817942947 1029288145 /nfs/dbraw/zinc/28/81/45/1029288145.db2.gz SABKXNXJRUVSRP-OALUTQOASA-N 1 0 315.436 3.632 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1Br ZINC000817956117 1029296203 /nfs/dbraw/zinc/29/62/03/1029296203.db2.gz RAEBGTGCUJUCFT-LBPRGKRZSA-N 1 0 319.246 3.925 20 10 DHCDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957608 1029297043 /nfs/dbraw/zinc/29/70/43/1029297043.db2.gz NASDCDFGKWQPAD-LJQANCHMSA-N 1 0 310.441 3.832 20 10 DHCDRO COCCC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000817957952 1029297568 /nfs/dbraw/zinc/29/75/68/1029297568.db2.gz RJHHLMZEBZNJBI-LJQANCHMSA-N 1 0 316.420 3.708 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000817956188 1029297691 /nfs/dbraw/zinc/29/76/91/1029297691.db2.gz SVZXMYDQAYDSNF-FXAWDEMLSA-N 1 0 310.441 3.569 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1O ZINC000817958730 1029298071 /nfs/dbraw/zinc/29/80/71/1029298071.db2.gz XQGAYRIGPXPJIB-MRXNPFEDSA-N 1 0 304.821 3.911 20 10 DHCDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817960624 1029299639 /nfs/dbraw/zinc/29/96/39/1029299639.db2.gz OZKTTZCJZWTART-SECBINFHSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961453 1029300223 /nfs/dbraw/zinc/30/02/23/1029300223.db2.gz YXUKQJCZFWAXTB-OPQQBVKSSA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817965238 1029303791 /nfs/dbraw/zinc/30/37/91/1029303791.db2.gz ROOKGFXHIYXYTP-JTQLQIEISA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971524 1029311693 /nfs/dbraw/zinc/31/16/93/1029311693.db2.gz NQKHHXNIHMFRLG-CWSCBRNRSA-N 1 0 317.260 3.880 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1 ZINC000817975536 1029312899 /nfs/dbraw/zinc/31/28/99/1029312899.db2.gz WISGDVXSOXOBIW-CRAIPNDOSA-N 1 0 310.441 3.547 20 10 DHCDRO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976604 1029313952 /nfs/dbraw/zinc/31/39/52/1029313952.db2.gz OXHIVBKIGNDJPN-UWVGGRQHSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1O ZINC000817977284 1029314367 /nfs/dbraw/zinc/31/43/67/1029314367.db2.gz GNKPZCLMYRFZDP-GFCCVEGCSA-N 1 0 300.377 3.740 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(C)c3)C2)cc1 ZINC000818221772 1029355677 /nfs/dbraw/zinc/35/56/77/1029355677.db2.gz SWMRFBVFYDBCTR-GOSISDBHSA-N 1 0 310.441 3.620 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C/C=C\c3ccccc3)C2)cc1 ZINC000818221832 1029355863 /nfs/dbraw/zinc/35/58/63/1029355863.db2.gz UNAFGAIPXGHLSW-ZXYDQQDNSA-N 1 0 322.452 3.825 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CCC3CC3)C2)cc1 ZINC000818341949 1029373672 /nfs/dbraw/zinc/37/36/72/1029373672.db2.gz JKDRSPONTSILFL-WBVHZDCISA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC3CCC3)C2)cc1 ZINC000818342993 1029375114 /nfs/dbraw/zinc/37/51/14/1029375114.db2.gz XNNHEBKUHAIDFV-WBVHZDCISA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000818342970 1029375227 /nfs/dbraw/zinc/37/52/27/1029375227.db2.gz XERQQCCWXHOVEG-YWZLYKJASA-N 1 0 314.473 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1C[C@@H]1C ZINC000818341528 1029375893 /nfs/dbraw/zinc/37/58/93/1029375893.db2.gz ABYHKAKAWSOYQZ-SAKMYQHLSA-N 1 0 302.462 3.546 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1C[C@H]1C ZINC000818341526 1029376111 /nfs/dbraw/zinc/37/61/11/1029376111.db2.gz ABYHKAKAWSOYQZ-OHQAAIJDSA-N 1 0 302.462 3.546 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000374574036 1029391238 /nfs/dbraw/zinc/39/12/38/1029391238.db2.gz FIAMBROGQYWPHV-VIBAHUMZSA-N 1 0 302.462 3.607 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000320829306 1029427503 /nfs/dbraw/zinc/42/75/03/1029427503.db2.gz FXGPLWVRCXEHAC-NHYWBVRUSA-N 1 0 301.361 3.878 20 10 DHCDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000156303866 1029434187 /nfs/dbraw/zinc/43/41/87/1029434187.db2.gz XJXLJIHHOUHEAR-MRXNPFEDSA-N 1 0 322.456 3.602 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000156381305 1029445543 /nfs/dbraw/zinc/44/55/43/1029445543.db2.gz KRVXVEUSBBLGHL-APWZRJJASA-N 1 0 302.462 3.897 20 10 DHCDRO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n[nH]1 ZINC000121180280 1029539854 /nfs/dbraw/zinc/53/98/54/1029539854.db2.gz JMLHLIJVFCBPST-SFHVURJKSA-N 1 0 324.472 3.780 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000819902609 1029623237 /nfs/dbraw/zinc/62/32/37/1029623237.db2.gz GIHBSJOVZLABQB-LJQANCHMSA-N 1 0 315.457 3.790 20 10 DHCDRO CC(C)(C)OC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000120633783 1029916477 /nfs/dbraw/zinc/91/64/77/1029916477.db2.gz NPLHPIBSOQPPDC-UHFFFAOYSA-N 1 0 303.446 3.660 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccnc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000865722574 1029990778 /nfs/dbraw/zinc/99/07/78/1029990778.db2.gz KZHMVRUTIOXQSK-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO CCOCc1cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)ccc1OC ZINC000865746558 1030001911 /nfs/dbraw/zinc/00/19/11/1030001911.db2.gz OMBHAHKHIQQEHY-SFHVURJKSA-N 1 0 321.461 3.669 20 10 DHCDRO CC[N@H+](Cc1cncn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000822438650 1030022174 /nfs/dbraw/zinc/02/21/74/1030022174.db2.gz MERLWBLMMYWNBH-UHFFFAOYSA-N 1 0 300.450 3.552 20 10 DHCDRO Cc1cc(Br)cc(C[NH+]2CC(CC(F)F)C2)c1O ZINC000822520807 1030041342 /nfs/dbraw/zinc/04/13/42/1030041342.db2.gz PNJFXPQRFKCWDO-UHFFFAOYSA-N 1 0 320.177 3.550 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc2c1OCO2 ZINC000924649354 1030149837 /nfs/dbraw/zinc/14/98/37/1030149837.db2.gz QMXUMDZLSAKEMG-HNNXBMFYSA-N 1 0 324.424 3.866 20 10 DHCDRO C[C@H](CCc1cccnc1)[NH2+]CCCSc1nccs1 ZINC000866268940 1030192710 /nfs/dbraw/zinc/19/27/10/1030192710.db2.gz AVWUVQUUYLTJGY-CYBMUJFWSA-N 1 0 307.488 3.631 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841759363 1030216486 /nfs/dbraw/zinc/21/64/86/1030216486.db2.gz YYISMYMESBFERS-VXGBXAGGSA-N 1 0 303.789 3.872 20 10 DHCDRO CC[N@H+](Cc1cc2cccnc2o1)Cc1ccc(N(C)C)cc1 ZINC000823375434 1030271239 /nfs/dbraw/zinc/27/12/39/1030271239.db2.gz QWCRFEBVOFIUJI-UHFFFAOYSA-N 1 0 309.413 3.916 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000823439129 1030288074 /nfs/dbraw/zinc/28/80/74/1030288074.db2.gz ZIESZGIKRCNAFG-KRWDZBQOSA-N 1 0 316.470 3.605 20 10 DHCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc2ccccc2c1O ZINC000866445088 1030297178 /nfs/dbraw/zinc/29/71/78/1030297178.db2.gz NAKIEQRZXDTCTE-IVKIPVDISA-N 1 0 309.409 3.619 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c(O)c1C ZINC000866479472 1030316876 /nfs/dbraw/zinc/31/68/76/1030316876.db2.gz UIYMZSILPVRJBR-OAHLLOKOSA-N 1 0 311.425 3.933 20 10 DHCDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1O ZINC000866482669 1030318594 /nfs/dbraw/zinc/31/85/94/1030318594.db2.gz ZYBFHXKJQSEHJZ-CXAGYDPISA-N 1 0 307.409 3.921 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000866486061 1030322423 /nfs/dbraw/zinc/32/24/23/1030322423.db2.gz XJAXUCAMRKIVNG-RYUDHWBXSA-N 1 0 312.369 3.959 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000823585099 1030328158 /nfs/dbraw/zinc/32/81/58/1030328158.db2.gz URKHTYYPVJUOQJ-QGZVFWFLSA-N 1 0 316.470 3.653 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c(O)c1C ZINC000866512909 1030338154 /nfs/dbraw/zinc/33/81/54/1030338154.db2.gz PTRFRRMYMKTYGX-LESCRADOSA-N 1 0 303.446 3.865 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000866527672 1030345840 /nfs/dbraw/zinc/34/58/40/1030345840.db2.gz MCFVPRLUOWXAEG-NVXWUHKLSA-N 1 0 302.462 3.610 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(C)cc1O ZINC000866539463 1030360014 /nfs/dbraw/zinc/36/00/14/1030360014.db2.gz MHYBPSOYKFRLNG-RYQLBKOJSA-N 1 0 303.446 3.804 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000866612971 1030401993 /nfs/dbraw/zinc/40/19/93/1030401993.db2.gz QAZNJUPKUNANDY-CVEARBPZSA-N 1 0 312.461 3.822 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)O1 ZINC000823837374 1030408674 /nfs/dbraw/zinc/40/86/74/1030408674.db2.gz VTAVRWXGKDMESP-JTDSTZFVSA-N 1 0 302.462 3.578 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc2c(cc1O)CCCC2 ZINC000866633315 1030413055 /nfs/dbraw/zinc/41/30/55/1030413055.db2.gz UBDSMJQHWCVBEE-CXAGYDPISA-N 1 0 311.429 3.653 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(O)c1 ZINC000866641843 1030418280 /nfs/dbraw/zinc/41/82/80/1030418280.db2.gz WTHXKHOSIKGQHW-CYBMUJFWSA-N 1 0 312.413 3.531 20 10 DHCDRO COC(C)(C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823949486 1030429928 /nfs/dbraw/zinc/42/99/28/1030429928.db2.gz IZEVXECCOBSISD-UHFFFAOYSA-N 1 0 318.486 3.899 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626568 1030447728 /nfs/dbraw/zinc/44/77/28/1030447728.db2.gz SLIMOMTWXNTFOL-KXBFYZLASA-N 1 0 321.424 3.825 20 10 DHCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824142150 1030480999 /nfs/dbraw/zinc/48/09/99/1030480999.db2.gz KOKPTHPPYAJUCT-HUUCEWRRSA-N 1 0 318.486 3.634 20 10 DHCDRO CCOc1cccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)c1O ZINC000291469568 1030516208 /nfs/dbraw/zinc/51/62/08/1030516208.db2.gz DTEDJPVREJDPQE-HNNXBMFYSA-N 1 0 307.434 3.570 20 10 DHCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868090246 1030530089 /nfs/dbraw/zinc/53/00/89/1030530089.db2.gz FOXAPTHCBRTIPF-IRXDYDNUSA-N 1 0 321.384 3.680 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925881479 1030532694 /nfs/dbraw/zinc/53/26/94/1030532694.db2.gz BQOJWFYMXOGXIA-GBIKHYSHSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000824482963 1030563578 /nfs/dbraw/zinc/56/35/78/1030563578.db2.gz FENGPEICVJKLLD-OLZOCXBDSA-N 1 0 315.438 3.941 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000824483523 1030563982 /nfs/dbraw/zinc/56/39/82/1030563982.db2.gz OSTABVRDHXDABN-AWEZNQCLSA-N 1 0 315.438 3.770 20 10 DHCDRO CC[N@H+](Cc1cc(COC)cs1)Cc1ccc(N(C)C)cc1 ZINC000824485037 1030564632 /nfs/dbraw/zinc/56/46/32/1030564632.db2.gz ZFPFIFONWJZFGH-UHFFFAOYSA-N 1 0 318.486 3.983 20 10 DHCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636109 1030596604 /nfs/dbraw/zinc/59/66/04/1030596604.db2.gz LVXGCQAUGUCLAG-HKUYNNGSSA-N 1 0 311.425 3.652 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc2O1 ZINC000824651351 1030599750 /nfs/dbraw/zinc/59/97/50/1030599750.db2.gz YFZMIGPXPMKPPU-CXAGYDPISA-N 1 0 314.404 3.894 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(OC)c2ccccc2)c1 ZINC000824779853 1030636561 /nfs/dbraw/zinc/63/65/61/1030636561.db2.gz CWVWLFIRRFVUKV-LIRRHRJNSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2F)c1O ZINC000291798309 1030648672 /nfs/dbraw/zinc/64/86/72/1030648672.db2.gz WVQHBBQDABTQRN-UHFFFAOYSA-N 1 0 301.361 3.707 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893092 1030660987 /nfs/dbraw/zinc/66/09/87/1030660987.db2.gz KBAVRHMIBQCXFN-ZBFHGGJFSA-N 1 0 321.848 3.827 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000824894554 1030661461 /nfs/dbraw/zinc/66/14/61/1030661461.db2.gz HOHHWAFXYSRFRZ-OAHLLOKOSA-N 1 0 322.880 3.518 20 10 DHCDRO COc1cccc(C[NH+]2CC(c3cccc(Cl)c3)C2)c1O ZINC000824987815 1030695136 /nfs/dbraw/zinc/69/51/36/1030695136.db2.gz BJMSVGZQSJWLNX-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000825046745 1030708293 /nfs/dbraw/zinc/70/82/93/1030708293.db2.gz XIWVADBMUIBZJP-HNNXBMFYSA-N 1 0 321.424 3.514 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825133637 1030733692 /nfs/dbraw/zinc/73/36/92/1030733692.db2.gz JVDYPCVWLUDIHB-MRXNPFEDSA-N 1 0 311.425 3.966 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@@H](C)O)cc2)cc1Cl ZINC000825138797 1030734585 /nfs/dbraw/zinc/73/45/85/1030734585.db2.gz XIWPBWJXJDZRHP-GFCCVEGCSA-N 1 0 305.805 3.697 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000825167874 1030739211 /nfs/dbraw/zinc/73/92/11/1030739211.db2.gz RUKPAAMOGPPQHL-UHFFFAOYSA-N 1 0 322.811 3.849 20 10 DHCDRO c1ccc(CC2([NH2+]Cc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000825188423 1030751412 /nfs/dbraw/zinc/75/14/12/1030751412.db2.gz KIVQNSSAPWJQDV-UHFFFAOYSA-N 1 0 323.436 3.503 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cc(F)ccc1O ZINC000292011651 1030754723 /nfs/dbraw/zinc/75/47/23/1030754723.db2.gz YUUMNXDAHMADOA-PSVSLLHZSA-N 1 0 321.417 3.946 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000248689822 1030760256 /nfs/dbraw/zinc/76/02/56/1030760256.db2.gz ANEFTEXOMBKMCO-XOPPTJLZSA-N 1 0 307.821 3.654 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)cc1Cl ZINC000825253662 1030762885 /nfs/dbraw/zinc/76/28/85/1030762885.db2.gz JJPQUNZTTQCHAY-OAHLLOKOSA-N 1 0 303.789 3.837 20 10 DHCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000825321773 1030775790 /nfs/dbraw/zinc/77/57/90/1030775790.db2.gz NJHQWNIJAGGIGV-IBGZPJMESA-N 1 0 316.489 3.925 20 10 DHCDRO OCCC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825338065 1030780838 /nfs/dbraw/zinc/78/08/38/1030780838.db2.gz LAYVCCUMOIMASC-INIZCTEOSA-N 1 0 311.425 3.654 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000122922927 1030920100 /nfs/dbraw/zinc/92/01/00/1030920100.db2.gz RLSKRILIUNLACS-MRXNPFEDSA-N 1 0 323.484 3.986 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CC2 ZINC000122923245 1030921695 /nfs/dbraw/zinc/92/16/95/1030921695.db2.gz DOFGUTABXRKVOO-HXUWFJFHSA-N 1 0 322.452 3.855 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000927070421 1031070270 /nfs/dbraw/zinc/07/02/70/1031070270.db2.gz RGVQNEYJZAEIAP-YVOWVQIISA-N 1 0 319.420 3.874 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1OCCc3ccccc31)CC2 ZINC000927113233 1031099432 /nfs/dbraw/zinc/09/94/32/1031099432.db2.gz XUUKSHQOTBCGCZ-HKUYNNGSSA-N 1 0 309.409 3.673 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000927139352 1031114840 /nfs/dbraw/zinc/11/48/40/1031114840.db2.gz KTZSYRPNZUFGAH-CYBMUJFWSA-N 1 0 301.434 3.852 20 10 DHCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123531406 1031167898 /nfs/dbraw/zinc/16/78/98/1031167898.db2.gz PYINBILBYBTRJV-QAPCUYQASA-N 1 0 322.468 3.874 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(O)c1C ZINC000274350704 1031295967 /nfs/dbraw/zinc/29/59/67/1031295967.db2.gz GDRAVYHQAVHPBK-NZPGVSJUSA-N 1 0 301.430 3.617 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(O)ccc1F ZINC000872021922 1031406461 /nfs/dbraw/zinc/40/64/61/1031406461.db2.gz GFFSKPZBSYSYQI-AWEZNQCLSA-N 1 0 314.404 3.982 20 10 DHCDRO C[C@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298540 1031436590 /nfs/dbraw/zinc/43/65/90/1031436590.db2.gz GEGKGTFCRXUQOH-JTQLQIEISA-N 1 0 316.214 3.916 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)c1O ZINC000872134052 1031528689 /nfs/dbraw/zinc/52/86/89/1031528689.db2.gz QUBKFYDKRMNBGB-PWSUYJOCSA-N 1 0 305.809 3.864 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1cc(Cl)ccc1O ZINC000872135515 1031530489 /nfs/dbraw/zinc/53/04/89/1031530489.db2.gz WWCDDLHACFUFDL-SMDDNHRTSA-N 1 0 305.809 3.946 20 10 DHCDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000123990983 1031555344 /nfs/dbraw/zinc/55/53/44/1031555344.db2.gz IXIWVKMWRWYGJY-ZDUSSCGKSA-N 1 0 302.393 3.790 20 10 DHCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124021685 1031570393 /nfs/dbraw/zinc/57/03/93/1031570393.db2.gz UPOCOQFCWJTMEN-INIZCTEOSA-N 1 0 308.441 3.673 20 10 DHCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293834504 1031646094 /nfs/dbraw/zinc/64/60/94/1031646094.db2.gz PZWFSPZVAJZTLO-UHFFFAOYSA-N 1 0 303.475 3.851 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c(O)c1 ZINC001144509274 1031664229 /nfs/dbraw/zinc/66/42/29/1031664229.db2.gz RMPCDXYOYCJWLG-HNNXBMFYSA-N 1 0 319.788 3.794 20 10 DHCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)n1 ZINC000872807513 1031664336 /nfs/dbraw/zinc/66/43/36/1031664336.db2.gz SUQVPFAAISMELQ-HNNXBMFYSA-N 1 0 314.454 3.635 20 10 DHCDRO CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514857 1031672054 /nfs/dbraw/zinc/67/20/54/1031672054.db2.gz VDDYMVKKLDOSKN-UGSOOPFHSA-N 1 0 323.433 3.567 20 10 DHCDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)s1 ZINC000361049923 1031697167 /nfs/dbraw/zinc/69/71/67/1031697167.db2.gz TXGRNPCCEQTALT-OAHLLOKOSA-N 1 0 302.443 3.845 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2(CCOCc3ccccc3)CC2)c1 ZINC000760447627 1031721948 /nfs/dbraw/zinc/72/19/48/1031721948.db2.gz ZUKIABBCGIFGOU-UHFFFAOYSA-N 1 0 311.425 3.930 20 10 DHCDRO COCC(C)(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000873153295 1031727895 /nfs/dbraw/zinc/72/78/95/1031727895.db2.gz KMRRCZBIZFYYAE-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO COc1cc(C[NH2+]C2(C)CC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000873197553 1031755406 /nfs/dbraw/zinc/75/54/06/1031755406.db2.gz GFOGOQFKHBLXIM-UHFFFAOYSA-N 1 0 313.388 3.976 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cc3cnccc3o2)n1 ZINC000845937776 1031783767 /nfs/dbraw/zinc/78/37/67/1031783767.db2.gz DABDXBGSNKTAAV-UHFFFAOYSA-N 1 0 305.428 3.556 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000845970928 1031787752 /nfs/dbraw/zinc/78/77/52/1031787752.db2.gz FVUHLDIZTSWOBV-CHWSQXEVSA-N 1 0 322.408 3.700 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000873288803 1031789513 /nfs/dbraw/zinc/78/95/13/1031789513.db2.gz LUDRZPVNPGAXPM-GOSISDBHSA-N 1 0 301.409 3.715 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1O ZINC000873291775 1031792409 /nfs/dbraw/zinc/79/24/09/1031792409.db2.gz XRXFXSBZJDRAEZ-SNVBAGLBSA-N 1 0 308.784 3.926 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000897727396 1031806887 /nfs/dbraw/zinc/80/68/87/1031806887.db2.gz LJJOHQSMEREDEW-SUMWQHHRSA-N 1 0 305.418 3.543 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000846057298 1031815992 /nfs/dbraw/zinc/81/59/92/1031815992.db2.gz GLNKDCGDMUWTJK-CQSZACIVSA-N 1 0 324.833 3.643 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C(F)(F)F)cc1O ZINC000846043425 1031839137 /nfs/dbraw/zinc/83/91/37/1031839137.db2.gz BAAHETPMSATFQS-ZRQNBYAXSA-N 1 0 315.335 3.772 20 10 DHCDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000846071857 1031849699 /nfs/dbraw/zinc/84/96/99/1031849699.db2.gz BGKPWPYOUPNJMP-OAHLLOKOSA-N 1 0 311.425 3.964 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2)c1O ZINC000846135073 1031872097 /nfs/dbraw/zinc/87/20/97/1031872097.db2.gz BADKLGNOYYSRSX-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846101619 1031872590 /nfs/dbraw/zinc/87/25/90/1031872590.db2.gz FIDNYDFQLHGOEQ-ZDUSSCGKSA-N 1 0 301.261 3.816 20 10 DHCDRO CCc1nc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cs1 ZINC000846148151 1031883089 /nfs/dbraw/zinc/88/30/89/1031883089.db2.gz XRUMQTDCKXXQMY-MNOVXSKESA-N 1 0 306.431 3.832 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2C)c1O ZINC000846149411 1031883168 /nfs/dbraw/zinc/88/31/68/1031883168.db2.gz YZNOCYAOUZTGHN-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000897971117 1031884345 /nfs/dbraw/zinc/88/43/45/1031884345.db2.gz SXUPNQUANOGHNO-AATRIKPKSA-N 1 0 314.473 3.703 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1O ZINC000846152445 1031884988 /nfs/dbraw/zinc/88/49/88/1031884988.db2.gz AZVTVXNPMZWFQC-SNVBAGLBSA-N 1 0 304.415 3.586 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000846162390 1031890800 /nfs/dbraw/zinc/89/08/00/1031890800.db2.gz AOWWNHAPQXYAEB-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159408 1031891105 /nfs/dbraw/zinc/89/11/05/1031891105.db2.gz OFIMNMILSCMYLJ-VXGBXAGGSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCNc2ccccc2F)c1O ZINC000846162373 1031891334 /nfs/dbraw/zinc/89/13/34/1031891334.db2.gz GLNHEQFMFQQLGO-CYBMUJFWSA-N 1 0 318.392 3.693 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(C)cs2)c1O ZINC000846166393 1031893358 /nfs/dbraw/zinc/89/33/58/1031893358.db2.gz WLEMTEUNJMWVQN-ZYHUDNBSSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000846165016 1031894915 /nfs/dbraw/zinc/89/49/15/1031894915.db2.gz KFUPMBKRQVLFFZ-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000846169734 1031898115 /nfs/dbraw/zinc/89/81/15/1031898115.db2.gz SHLCIGKQVXNHME-ZANVPECISA-N 1 0 304.217 3.635 20 10 DHCDRO COCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCCCC1 ZINC000846170128 1031897368 /nfs/dbraw/zinc/89/73/68/1031897368.db2.gz IOWXKMMIJGHMNZ-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3ccccc3n2)c1O ZINC000846142495 1031903228 /nfs/dbraw/zinc/90/32/28/1031903228.db2.gz UQSQTHOWQSYCPD-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142814 1031903597 /nfs/dbraw/zinc/90/35/97/1031903597.db2.gz BHDLCULQAWRMER-XJKSGUPXSA-N 1 0 300.402 3.988 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OC)c1O ZINC000846141489 1031904126 /nfs/dbraw/zinc/90/41/26/1031904126.db2.gz KDEWGBSPCDYBRH-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1O ZINC000846143797 1031904697 /nfs/dbraw/zinc/90/46/97/1031904697.db2.gz HLZIJRAAYDLLSC-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846142950 1031904795 /nfs/dbraw/zinc/90/47/95/1031904795.db2.gz XHOZRIZJHWNJAW-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccc(F)cc2)c1O ZINC000846147099 1031906491 /nfs/dbraw/zinc/90/64/91/1031906491.db2.gz STUVGXOYWNDFQG-QWHCGFSZSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(C)cc2C)c1O ZINC000846143432 1031907433 /nfs/dbraw/zinc/90/74/33/1031907433.db2.gz IIKDARXRXAJZGY-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846146499 1031909133 /nfs/dbraw/zinc/90/91/33/1031909133.db2.gz JBTFYDQSIMKAPQ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000846205892 1031909695 /nfs/dbraw/zinc/90/96/95/1031909695.db2.gz TWMOBWNDNIMVMD-KBPBESRZSA-N 1 0 303.446 3.737 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846212463 1031943413 /nfs/dbraw/zinc/94/34/13/1031943413.db2.gz DUZLYZISZUFWAJ-RYUDHWBXSA-N 1 0 300.229 3.943 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1F ZINC000846184068 1031917233 /nfs/dbraw/zinc/91/72/33/1031917233.db2.gz QICVOLVLOBVQTI-WVQJBOLRSA-N 1 0 323.795 3.957 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(C)cc1O ZINC000846189880 1031921828 /nfs/dbraw/zinc/92/18/28/1031921828.db2.gz VPXBBJGLVUDCGD-PKOBYXMFSA-N 1 0 303.446 3.947 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1O ZINC000846189335 1031924018 /nfs/dbraw/zinc/92/40/18/1031924018.db2.gz SXLRXVSOJLRONA-GTNSWQLSSA-N 1 0 309.837 3.901 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000898320954 1032018843 /nfs/dbraw/zinc/01/88/43/1032018843.db2.gz OQRNYYTYXRFWNY-YADGQWAMSA-N 1 0 307.441 3.902 20 10 DHCDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877508910 1033330085 /nfs/dbraw/zinc/33/00/85/1033330085.db2.gz FJZOKQHLMOCDNB-OXQOHEQNSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000877507970 1033331979 /nfs/dbraw/zinc/33/19/79/1033331979.db2.gz TWUFLSIOCFVSDH-UONOGXRCSA-N 1 0 300.229 3.716 20 10 DHCDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877547985 1033350288 /nfs/dbraw/zinc/35/02/88/1033350288.db2.gz BYGSBMXZYCPKAN-UHFFFAOYSA-N 1 0 304.478 3.562 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(O)c1 ZINC000877552252 1033351588 /nfs/dbraw/zinc/35/15/88/1033351588.db2.gz MJTJSMFNNMKFDF-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877555733 1033354031 /nfs/dbraw/zinc/35/40/31/1033354031.db2.gz ZSGBLZKSVPPSQJ-KRWDZBQOSA-N 1 0 316.489 3.564 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CCC(=O)OC(C)C ZINC001172762134 1033357092 /nfs/dbraw/zinc/35/70/92/1033357092.db2.gz IHHFXTXQJIUNSG-INIZCTEOSA-N 1 0 320.477 3.695 20 10 DHCDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877578752 1033365339 /nfs/dbraw/zinc/36/53/39/1033365339.db2.gz HOKOSKBDPLPYKA-JXFKEZNVSA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c(O)c1 ZINC000877575534 1033365596 /nfs/dbraw/zinc/36/55/96/1033365596.db2.gz XIWNTVQPXDOZHL-UHFFFAOYSA-N 1 0 311.425 3.582 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC(C)(C)C1 ZINC000877590258 1033372149 /nfs/dbraw/zinc/37/21/49/1033372149.db2.gz VOZQDLQJBCNXCP-UHFFFAOYSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000877662615 1033401527 /nfs/dbraw/zinc/40/15/27/1033401527.db2.gz STMIKBHZPPOZMU-AEFFLSMTSA-N 1 0 319.351 3.599 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1O ZINC000877758372 1033434918 /nfs/dbraw/zinc/43/49/18/1033434918.db2.gz WRDYNORZRCTPGF-AWEZNQCLSA-N 1 0 313.397 3.794 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(Cl)c1OC ZINC000877756306 1033435097 /nfs/dbraw/zinc/43/50/97/1033435097.db2.gz GDPMVWIEHVNMET-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1 ZINC000877814192 1033466659 /nfs/dbraw/zinc/46/66/59/1033466659.db2.gz VSQULXCNRURIEA-CYBMUJFWSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877824117 1033473576 /nfs/dbraw/zinc/47/35/76/1033473576.db2.gz OVVLNYMMSORTJT-ZANVPECISA-N 1 0 323.742 3.587 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152200824 1033507881 /nfs/dbraw/zinc/50/78/81/1033507881.db2.gz YNLYZJYEZGPSTJ-MRXNPFEDSA-N 1 0 312.461 3.651 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1O ZINC000927070994 1033523827 /nfs/dbraw/zinc/52/38/27/1033523827.db2.gz RMIAXUITUWNIBT-SJLPKXTDSA-N 1 0 301.434 3.872 20 10 DHCDRO CC[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001173270831 1033641053 /nfs/dbraw/zinc/64/10/53/1033641053.db2.gz CVEDZPZUSDAAQF-CRAIPNDOSA-N 1 0 302.462 3.525 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000777221949 1033719910 /nfs/dbraw/zinc/71/99/10/1033719910.db2.gz OKTMAFNNTNZINM-HXUWFJFHSA-N 1 0 309.409 3.670 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CCCCC(=O)OC ZINC001173459630 1033752744 /nfs/dbraw/zinc/75/27/44/1033752744.db2.gz DGOCQXLDVXSEKX-MRXNPFEDSA-N 1 0 320.477 3.696 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000479431763 1033759516 /nfs/dbraw/zinc/75/95/16/1033759516.db2.gz OFYSNTZZSVBTOJ-KFKAGJAMSA-N 1 0 312.457 3.780 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000479452908 1033760004 /nfs/dbraw/zinc/76/00/04/1033760004.db2.gz IVMJZVZBXXZFHE-NSISKUIASA-N 1 0 324.468 3.924 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000862211139 1033781817 /nfs/dbraw/zinc/78/18/17/1033781817.db2.gz CRRDUMMDOPAEQJ-AWEZNQCLSA-N 1 0 321.218 3.820 20 10 DHCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000862473131 1033863879 /nfs/dbraw/zinc/86/38/79/1033863879.db2.gz FODDLDAMYGQOMC-OLZOCXBDSA-N 1 0 312.429 3.501 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2CCN2C2CCCC2)ccc2ccccc21 ZINC000862522902 1033871532 /nfs/dbraw/zinc/87/15/32/1033871532.db2.gz LCWHBFALEWGAMI-GOSISDBHSA-N 1 0 310.441 3.652 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000862529166 1033873107 /nfs/dbraw/zinc/87/31/07/1033873107.db2.gz PCGHLPIPVSQEJM-ZYSHUDEJSA-N 1 0 309.409 3.636 20 10 DHCDRO CCOc1ccc(C[NH+]2CC(Cc3cccs3)C2)c(O)c1 ZINC000862539086 1033878470 /nfs/dbraw/zinc/87/84/70/1033878470.db2.gz XCDBMUCJNXKPIV-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)cc1 ZINC000119126969 1033949594 /nfs/dbraw/zinc/94/95/94/1033949594.db2.gz ZLDVODUUSJEAOS-OAQYLSRUSA-N 1 0 322.452 3.941 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)CCCC2 ZINC000863294489 1034058305 /nfs/dbraw/zinc/05/83/05/1034058305.db2.gz FCFUEIGFWFYXCR-SJORKVTESA-N 1 0 303.471 3.741 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c(F)c1 ZINC000879648891 1034069437 /nfs/dbraw/zinc/06/94/37/1034069437.db2.gz FVGAZQGNVZHWTR-OLZOCXBDSA-N 1 0 316.376 3.518 20 10 DHCDRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648206 1034070825 /nfs/dbraw/zinc/07/08/25/1034070825.db2.gz DVSRUVFQBWSXJZ-CQSZACIVSA-N 1 0 312.413 3.805 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c(F)c1 ZINC000879651661 1034073361 /nfs/dbraw/zinc/07/33/61/1034073361.db2.gz FVGAZQGNVZHWTR-STQMWFEESA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650493 1034075183 /nfs/dbraw/zinc/07/51/83/1034075183.db2.gz DCSVUXMMIPIZJL-ZDUSSCGKSA-N 1 0 316.376 3.519 20 10 DHCDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543548 1034124103 /nfs/dbraw/zinc/12/41/03/1034124103.db2.gz QKAGCQFRUVPFDV-FRRDWIJNSA-N 1 0 317.260 3.880 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(OC3CCC3)CC2)cc1Cl ZINC000826131560 1034156449 /nfs/dbraw/zinc/15/64/49/1034156449.db2.gz WRLAQRXJIYVKGA-UHFFFAOYSA-N 1 0 309.837 3.888 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000128145196 1034189591 /nfs/dbraw/zinc/18/95/91/1034189591.db2.gz QNHPHYMZWNCDIG-HOCLYGCPSA-N 1 0 308.441 3.628 20 10 DHCDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cn21 ZINC000178057532 1034204068 /nfs/dbraw/zinc/20/40/68/1034204068.db2.gz QRFZZTDETWAQFD-OAHLLOKOSA-N 1 0 308.429 3.560 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1cnn(C)c1 ZINC000178228043 1034221501 /nfs/dbraw/zinc/22/15/01/1034221501.db2.gz ZHBIDTITWUAOAT-GOSISDBHSA-N 1 0 300.450 3.507 20 10 DHCDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000119741815 1034232289 /nfs/dbraw/zinc/23/22/89/1034232289.db2.gz ZPCIJPQIOUKJLC-SFHVURJKSA-N 1 0 324.468 3.552 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000179677343 1034325732 /nfs/dbraw/zinc/32/57/32/1034325732.db2.gz RJWPLUZCUAELLJ-LBPRGKRZSA-N 1 0 319.376 3.742 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1O)c1ccco1 ZINC000183468475 1034390398 /nfs/dbraw/zinc/39/03/98/1034390398.db2.gz RVECJWVRCCSWLP-ZBFHGGJFSA-N 1 0 302.418 3.719 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000183632533 1034406791 /nfs/dbraw/zinc/40/67/91/1034406791.db2.gz NZDBIKWUVQLIGW-MGPLVRAMSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(C)cc1O ZINC000794802673 1034472303 /nfs/dbraw/zinc/47/23/03/1034472303.db2.gz OCYTUCJYACALFT-MAUKXSAKSA-N 1 0 311.425 3.993 20 10 DHCDRO C[C@H](c1cnccn1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000184412189 1034473683 /nfs/dbraw/zinc/47/36/83/1034473683.db2.gz JTILBKMPDVFCIX-MRXNPFEDSA-N 1 0 310.445 3.660 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cccnc1 ZINC000184882901 1034506982 /nfs/dbraw/zinc/50/69/82/1034506982.db2.gz ZLIJPWWNMNLUGQ-MNOVXSKESA-N 1 0 321.218 3.962 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000184894697 1034509805 /nfs/dbraw/zinc/50/98/05/1034509805.db2.gz HZPGAMYXSFBEHX-LBPRGKRZSA-N 1 0 304.821 3.962 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000184944278 1034514577 /nfs/dbraw/zinc/51/45/77/1034514577.db2.gz ODVIQVPHGKWQOL-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)ccn1 ZINC000184973982 1034515945 /nfs/dbraw/zinc/51/59/45/1034515945.db2.gz SRDHRJNZOCCILW-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1O ZINC000794809228 1034517434 /nfs/dbraw/zinc/51/74/34/1034517434.db2.gz DNRFCVPVPGHATI-MSOLQXFVSA-N 1 0 324.424 3.547 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815855 1034526665 /nfs/dbraw/zinc/52/66/65/1034526665.db2.gz PTMFGOAUFUWNCX-TZMCWYRMSA-N 1 0 305.340 3.709 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1OC ZINC000185076753 1034527078 /nfs/dbraw/zinc/52/70/78/1034527078.db2.gz YAESBHBPOAXHMG-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817144 1034534683 /nfs/dbraw/zinc/53/46/83/1034534683.db2.gz PKLNUVMHKGSZBY-PKOBYXMFSA-N 1 0 317.404 3.788 20 10 DHCDRO COCCCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185233334 1034536274 /nfs/dbraw/zinc/53/62/74/1034536274.db2.gz QLTYAKFRLDXBBB-LLVKDONJSA-N 1 0 316.239 3.622 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1C ZINC000794825306 1034547975 /nfs/dbraw/zinc/54/79/75/1034547975.db2.gz MGLJIKGNPSEQDW-JSGCOSHPSA-N 1 0 322.449 3.573 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185501176 1034552260 /nfs/dbraw/zinc/55/22/60/1034552260.db2.gz KIAAKSXOPVQQNN-ZJUUUORDSA-N 1 0 308.809 3.932 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000185547970 1034556300 /nfs/dbraw/zinc/55/63/00/1034556300.db2.gz LJHYWBPNTZDNML-BBRMVZONSA-N 1 0 303.402 3.894 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000120461445 1034565462 /nfs/dbraw/zinc/56/54/62/1034565462.db2.gz DAZLZBRDJPLKGF-SCLBCKFNSA-N 1 0 318.848 3.790 20 10 DHCDRO C[C@@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000185739040 1034569549 /nfs/dbraw/zinc/56/95/49/1034569549.db2.gz ZFFVSBSMLMTRBH-YCPHGPKFSA-N 1 0 317.404 3.737 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000185840238 1034579828 /nfs/dbraw/zinc/57/98/28/1034579828.db2.gz SHGSMHZEXFNHBK-WWGRRREGSA-N 1 0 305.443 3.925 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000185840185 1034580853 /nfs/dbraw/zinc/58/08/53/1034580853.db2.gz SHGSMHZEXFNHBK-ZENOOKHLSA-N 1 0 305.443 3.925 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2)c1 ZINC000186156205 1034603588 /nfs/dbraw/zinc/60/35/88/1034603588.db2.gz VSAJBOMELDEKIQ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc2ccccc2c1O ZINC000186179388 1034607450 /nfs/dbraw/zinc/60/74/50/1034607450.db2.gz ORUGIDBFAMPRRH-AWEZNQCLSA-N 1 0 321.424 3.857 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000186196606 1034607612 /nfs/dbraw/zinc/60/76/12/1034607612.db2.gz RCSAZIDYVXNQMW-PIGZYNQJSA-N 1 0 323.795 3.877 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000186807522 1034664236 /nfs/dbraw/zinc/66/42/36/1034664236.db2.gz VNCZGBSXCMAGTC-MRXNPFEDSA-N 1 0 318.417 3.936 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCCCC(=O)OC(C)(C)C)cc1C ZINC000773429448 1034688933 /nfs/dbraw/zinc/68/89/33/1034688933.db2.gz UFHUHJNWXZCQSU-UHFFFAOYSA-N 1 0 307.434 3.611 20 10 DHCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000773429753 1034689546 /nfs/dbraw/zinc/68/95/46/1034689546.db2.gz VVEVMDYMAMWFPW-ZDUSSCGKSA-N 1 0 301.409 3.700 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1C ZINC000192376784 1034799687 /nfs/dbraw/zinc/79/96/87/1034799687.db2.gz YNXCVMYJWYMDAV-PXNSSMCTSA-N 1 0 311.425 3.876 20 10 DHCDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCCCCC2)cc1 ZINC000192923539 1034821309 /nfs/dbraw/zinc/82/13/09/1034821309.db2.gz UJCRUQSOIICUBQ-KRWDZBQOSA-N 1 0 304.478 3.880 20 10 DHCDRO Cc1cc(Nc2ccc(C(=O)OC(C)(C)C)cc2O)cc(C)[nH+]1 ZINC001176060797 1035198912 /nfs/dbraw/zinc/19/89/12/1035198912.db2.gz VDYDMIUYCSJRLI-UHFFFAOYSA-N 1 0 314.385 3.525 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)cc1 ZINC001176965011 1035340148 /nfs/dbraw/zinc/34/01/48/1035340148.db2.gz HQCAUARNOTUDJJ-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c(Cl)c1 ZINC001177278134 1035363078 /nfs/dbraw/zinc/36/30/78/1035363078.db2.gz RZUAPJAGRCYLCF-KBPBESRZSA-N 1 0 310.869 3.707 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177737411 1035389840 /nfs/dbraw/zinc/38/98/40/1035389840.db2.gz OLWZCRIUOCUCTP-MRXNPFEDSA-N 1 0 310.441 3.713 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1F ZINC001177869402 1035394648 /nfs/dbraw/zinc/39/46/48/1035394648.db2.gz BQQJCNKTCGLTNZ-YJBOKZPZSA-N 1 0 322.468 3.823 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(F)cc2F)cc1 ZINC001177840014 1035395368 /nfs/dbraw/zinc/39/53/68/1035395368.db2.gz HTACNAVKSSZXCX-ARJAWSKDSA-N 1 0 316.395 3.876 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001178330980 1035422890 /nfs/dbraw/zinc/42/28/90/1035422890.db2.gz LEAMHXBBTARGDR-ZPUOCTKUSA-N 1 0 302.462 3.702 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000773750883 1035436334 /nfs/dbraw/zinc/43/63/34/1035436334.db2.gz FNQBCRFSNAQOEW-FQEVSTJZSA-N 1 0 312.457 3.698 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773755439 1035438283 /nfs/dbraw/zinc/43/82/83/1035438283.db2.gz JITFUSTVMROHCY-LJQANCHMSA-N 1 0 304.478 3.924 20 10 DHCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232384 1035453160 /nfs/dbraw/zinc/45/31/60/1035453160.db2.gz BSWWYKPKSJVHMV-KRWDZBQOSA-N 1 0 312.457 3.907 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000773809404 1035471074 /nfs/dbraw/zinc/47/10/74/1035471074.db2.gz CWDFIYFMYQGACF-AWEZNQCLSA-N 1 0 314.429 3.708 20 10 DHCDRO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)cc2c1OCC2 ZINC001179386947 1035476695 /nfs/dbraw/zinc/47/66/95/1035476695.db2.gz WPWDNCGPSHGMMR-IBGZPJMESA-N 1 0 314.473 3.508 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cc1 ZINC000773819050 1035488063 /nfs/dbraw/zinc/48/80/63/1035488063.db2.gz NXSXVBBCEDYBQZ-UHFFFAOYSA-N 1 0 312.461 3.554 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC001179712748 1035494663 /nfs/dbraw/zinc/49/46/63/1035494663.db2.gz JMEKVFUUXKJDJK-IBGZPJMESA-N 1 0 310.445 3.707 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000773837046 1035518713 /nfs/dbraw/zinc/51/87/13/1035518713.db2.gz XXNANYVLFXIWCJ-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000773839069 1035599246 /nfs/dbraw/zinc/59/92/46/1035599246.db2.gz LXZGHGNGKSXHTO-OAHLLOKOSA-N 1 0 300.450 3.771 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001180120240 1035605081 /nfs/dbraw/zinc/60/50/81/1035605081.db2.gz GJCDRICTQRVITL-NRFANRHFSA-N 1 0 324.468 3.943 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC001180213039 1035624301 /nfs/dbraw/zinc/62/43/01/1035624301.db2.gz NNHFNDNBHSZOHV-SREVYHEPSA-N 1 0 321.468 3.718 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C(C)C)cc1OC ZINC001180331433 1035657611 /nfs/dbraw/zinc/65/76/11/1035657611.db2.gz GIJDWENRAYTXLN-HNNXBMFYSA-N 1 0 307.434 3.810 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC001181419302 1035905682 /nfs/dbraw/zinc/90/56/82/1035905682.db2.gz YVOBMYJTTBYGQK-AEFFLSMTSA-N 1 0 321.367 3.662 20 10 DHCDRO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1C)CCO2 ZINC001181674267 1035963550 /nfs/dbraw/zinc/96/35/50/1035963550.db2.gz OWACEOSYDVQSBO-UHFFFAOYSA-N 1 0 310.441 3.764 20 10 DHCDRO CN(C)c1ccc(/C=C/CN2CC[N@H+](C)Cc3ccccc32)cc1 ZINC001181988223 1036059894 /nfs/dbraw/zinc/05/98/94/1036059894.db2.gz XINBSTNKGWRUDY-VOTSOKGWSA-N 1 0 321.468 3.718 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC001204320875 1036095704 /nfs/dbraw/zinc/09/57/04/1036095704.db2.gz BVDAMBVTMUDRIK-UHFFFAOYSA-N 1 0 314.473 3.679 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000774135985 1036174697 /nfs/dbraw/zinc/17/46/97/1036174697.db2.gz DQGJFPWNNILMHP-JTDSTZFVSA-N 1 0 316.489 3.999 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2cccc(F)c2)C(C)C)c1 ZINC000775652669 1036244679 /nfs/dbraw/zinc/24/46/79/1036244679.db2.gz PFJSIQOJKRBFFX-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000775666350 1036298924 /nfs/dbraw/zinc/29/89/24/1036298924.db2.gz WFCFYYJXVVQKSN-UHFFFAOYSA-N 1 0 317.816 3.660 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1C ZINC000774381544 1036306910 /nfs/dbraw/zinc/30/69/10/1036306910.db2.gz YPRMSHQROYBRLU-NVXWUHKLSA-N 1 0 302.462 3.677 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3C)CC2)cc1 ZINC000102432873 1036514768 /nfs/dbraw/zinc/51/47/68/1036514768.db2.gz AYAPJKWNCRUHCH-UHFFFAOYSA-N 1 0 310.441 3.762 20 10 DHCDRO Cc1cccc(C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)c1O ZINC000775727008 1036573152 /nfs/dbraw/zinc/57/31/52/1036573152.db2.gz DXVNSHQNEURCTN-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000775726669 1036576946 /nfs/dbraw/zinc/57/69/46/1036576946.db2.gz WBGVHWHMTCOMSQ-CQSZACIVSA-N 1 0 309.837 3.603 20 10 DHCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001196684940 1036597079 /nfs/dbraw/zinc/59/70/79/1036597079.db2.gz QNOYLOKGOIMOIR-UHFFFAOYSA-N 1 0 318.505 3.968 20 10 DHCDRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC001197003491 1036667800 /nfs/dbraw/zinc/66/78/00/1036667800.db2.gz IMYNVYMQWHRPCT-GFCCVEGCSA-N 1 0 318.804 3.643 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1[O-] ZINC001197020908 1036673157 /nfs/dbraw/zinc/67/31/57/1036673157.db2.gz LTQYEMOUIVMPKD-BETUJISGSA-N 1 0 305.805 3.646 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000762503135 1036799534 /nfs/dbraw/zinc/79/95/34/1036799534.db2.gz JBYZVZGACYECJF-YWZLYKJASA-N 1 0 312.457 3.917 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1O ZINC000775793229 1036893083 /nfs/dbraw/zinc/89/30/83/1036893083.db2.gz OCTHMEDTYXDCEX-UHFFFAOYSA-N 1 0 320.230 3.795 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000762647095 1036894787 /nfs/dbraw/zinc/89/47/87/1036894787.db2.gz CQYLDMRLTMWCHY-TXPKVOOTSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775831112 1036969219 /nfs/dbraw/zinc/96/92/19/1036969219.db2.gz POUHIBDINDIWBL-CYBMUJFWSA-N 1 0 301.434 3.889 20 10 DHCDRO COc1c(C)cnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834113 1036996502 /nfs/dbraw/zinc/99/65/02/1036996502.db2.gz PPLDFAHYMBOLLZ-HNNXBMFYSA-N 1 0 313.445 3.624 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCCOc2ccccc2)cc1F ZINC001199151961 1037208597 /nfs/dbraw/zinc/20/85/97/1037208597.db2.gz HEWOGRWTPBWVPS-UHFFFAOYSA-N 1 0 316.420 3.841 20 10 DHCDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775982012 1037280212 /nfs/dbraw/zinc/28/02/12/1037280212.db2.gz XHMOYFRNSWPGPB-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000776014251 1037300340 /nfs/dbraw/zinc/30/03/40/1037300340.db2.gz QQNQWGWHDSWUSP-ZWNOBZJWSA-N 1 0 303.324 3.564 20 10 DHCDRO CCOc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(O)c1 ZINC000776015048 1037309251 /nfs/dbraw/zinc/30/92/51/1037309251.db2.gz TTWVSLASMZFGPY-UHFFFAOYSA-N 1 0 309.409 3.838 20 10 DHCDRO CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001199784740 1037336651 /nfs/dbraw/zinc/33/66/51/1037336651.db2.gz VAJAMAMHKMTJQB-UHFFFAOYSA-N 1 0 314.832 3.539 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC001199830763 1037348855 /nfs/dbraw/zinc/34/88/55/1037348855.db2.gz SHMGOLKWEXHZPS-ZWKOTPCHSA-N 1 0 302.462 3.506 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cncc4ccccc43)ccc21 ZINC001199822005 1037351090 /nfs/dbraw/zinc/35/10/90/1037351090.db2.gz FQPXLWXMKLDSIG-UHFFFAOYSA-N 1 0 317.436 3.907 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000152512365 1037383251 /nfs/dbraw/zinc/38/32/51/1037383251.db2.gz FEDWJVNHMNLVSE-MSOLQXFVSA-N 1 0 323.484 3.930 20 10 DHCDRO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000776044007 1037400577 /nfs/dbraw/zinc/40/05/77/1037400577.db2.gz YWZUNPQSOOMCOG-ZDUSSCGKSA-N 1 0 310.869 3.646 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@@H](OCC)c2ccccc2)c(O)c1 ZINC000775027861 1037431016 /nfs/dbraw/zinc/43/10/16/1037431016.db2.gz LMWQPPPAVVDSGJ-LJQANCHMSA-N 1 0 315.413 3.658 20 10 DHCDRO c1cc2c(cc1C[NH2+]C1CCC3(CCOCC3)CC1)CCCO2 ZINC001200941476 1037482725 /nfs/dbraw/zinc/48/27/25/1037482725.db2.gz HNYROVDTRTWNCV-UHFFFAOYSA-N 1 0 315.457 3.841 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000776168840 1037671559 /nfs/dbraw/zinc/67/15/59/1037671559.db2.gz RTYUVEIBIOPJNE-APWZRJJASA-N 1 0 318.505 3.982 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1 ZINC000776169855 1037672839 /nfs/dbraw/zinc/67/28/39/1037672839.db2.gz XUAQEINDDNNJSI-QAPCUYQASA-N 1 0 304.478 3.590 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cccc(C)c3O)c2c1 ZINC000776174921 1037677369 /nfs/dbraw/zinc/67/73/69/1037677369.db2.gz FKGGFFXERSIADY-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO C[C@H]1CC2(CC([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)CO1 ZINC000924852597 1037690043 /nfs/dbraw/zinc/69/00/43/1037690043.db2.gz HSQIAVNHJAQLDS-VQSBYGRUSA-N 1 0 314.473 3.724 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](COC)Cc1ccccc1 ZINC000775139421 1037702417 /nfs/dbraw/zinc/70/24/17/1037702417.db2.gz AJMAUHHPZNIKCR-HXUWFJFHSA-N 1 0 312.457 3.619 20 10 DHCDRO CCCN(CC1=Cc2ccccc2OC1)c1ccc(C[NH3+])cc1 ZINC000775140221 1037704161 /nfs/dbraw/zinc/70/41/61/1037704161.db2.gz LASLJNLZFMXOSB-UHFFFAOYSA-N 1 0 308.425 3.838 20 10 DHCDRO CCCN(Cc1nc2c(s1)CCC2)c1ccc(C[NH3+])cc1 ZINC000775140330 1037704768 /nfs/dbraw/zinc/70/47/68/1037704768.db2.gz LWTXZWLULOPECG-UHFFFAOYSA-N 1 0 301.459 3.507 20 10 DHCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)Oc1ccc(Cl)cc1 ZINC000763390740 1037813500 /nfs/dbraw/zinc/81/35/00/1037813500.db2.gz BYDPJAWCFLNGRM-NSHDSACASA-N 1 0 309.768 3.742 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2cc(C)ccc2F)c(O)c1 ZINC000775168211 1037915449 /nfs/dbraw/zinc/91/54/49/1037915449.db2.gz NKNRFTFWWSFAOU-UHFFFAOYSA-N 1 0 303.377 3.870 20 10 DHCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775175332 1037917814 /nfs/dbraw/zinc/91/78/14/1037917814.db2.gz HIXWLHXEJBLYBW-FQEVSTJZSA-N 1 0 316.489 3.804 20 10 DHCDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001201912566 1037936141 /nfs/dbraw/zinc/93/61/41/1037936141.db2.gz YSKUYTJLCXPBQY-SFHVURJKSA-N 1 0 323.436 3.840 20 10 DHCDRO c1ccc(COc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC001201951947 1037949418 /nfs/dbraw/zinc/94/94/18/1037949418.db2.gz AJBFCLHBTLTUBJ-UHFFFAOYSA-N 1 0 322.452 3.798 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000776231961 1037985743 /nfs/dbraw/zinc/98/57/43/1037985743.db2.gz RNPZMPABDWSXDZ-INIZCTEOSA-N 1 0 321.852 3.965 20 10 DHCDRO Cc1cccc(C[NH2+]C2(CCOCc3ccccc3)CC2)c1O ZINC000776254429 1038077190 /nfs/dbraw/zinc/07/71/90/1038077190.db2.gz VWHDTHKBSMVPKY-UHFFFAOYSA-N 1 0 311.425 3.930 20 10 DHCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000164195570 1038101609 /nfs/dbraw/zinc/10/16/09/1038101609.db2.gz OOEAZNMXFKJLII-OAHLLOKOSA-N 1 0 320.452 3.772 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c(C)n1 ZINC000776256452 1038110582 /nfs/dbraw/zinc/11/05/82/1038110582.db2.gz OQSQKAHBZHVOEP-UHFFFAOYSA-N 1 0 321.852 3.949 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)cc1 ZINC000156469633 1038122603 /nfs/dbraw/zinc/12/26/03/1038122603.db2.gz YQGQKFTXZBMWGE-UHFFFAOYSA-N 1 0 323.362 3.798 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000917073898 1038160840 /nfs/dbraw/zinc/16/08/40/1038160840.db2.gz HAUBHROTRIELID-UHFFFAOYSA-N 1 0 310.441 3.926 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000917073964 1038162036 /nfs/dbraw/zinc/16/20/36/1038162036.db2.gz KDIYIJPCGZUILX-UHFFFAOYSA-N 1 0 310.441 3.926 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000164520639 1038204656 /nfs/dbraw/zinc/20/46/56/1038204656.db2.gz ZHYPZSPZZHLVNF-UHFFFAOYSA-N 1 0 319.445 3.540 20 10 DHCDRO COCCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000775376232 1038302891 /nfs/dbraw/zinc/30/28/91/1038302891.db2.gz ZDIJSFZBBSZOKR-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCC(C)(C)O1 ZINC001190436924 1038315950 /nfs/dbraw/zinc/31/59/50/1038315950.db2.gz OLALPACYQFBINT-GOSISDBHSA-N 1 0 304.478 3.921 20 10 DHCDRO COc1ccc(C[NH2+]CCNc2ccc3ccccc3n2)cc1C ZINC000760695365 1038317497 /nfs/dbraw/zinc/31/74/97/1038317497.db2.gz JOXGALYLJYDWEY-UHFFFAOYSA-N 1 0 321.424 3.754 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000165234468 1038459796 /nfs/dbraw/zinc/45/97/96/1038459796.db2.gz WAWGIIKHZJJIPN-FNHZYXHNSA-N 1 0 320.452 3.770 20 10 DHCDRO CC[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1O ZINC000775488325 1038562160 /nfs/dbraw/zinc/56/21/60/1038562160.db2.gz REXALGBPOLGNKB-FQEVSTJZSA-N 1 0 324.468 3.881 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775489714 1038564046 /nfs/dbraw/zinc/56/40/46/1038564046.db2.gz QRGDYGBGNZXMDH-WBVHZDCISA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1ccccc1O ZINC000775490219 1038565212 /nfs/dbraw/zinc/56/52/12/1038565212.db2.gz AIQQNWZTWLRDPX-INIZCTEOSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000165754536 1038572395 /nfs/dbraw/zinc/57/23/95/1038572395.db2.gz TZRVWMXGJZCXKG-CVEARBPZSA-N 1 0 310.532 3.642 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000775496793 1038579763 /nfs/dbraw/zinc/57/97/63/1038579763.db2.gz LTRVJKFENWLLGP-CRAIPNDOSA-N 1 0 310.441 3.884 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775506772 1038597572 /nfs/dbraw/zinc/59/75/72/1038597572.db2.gz DFXJWVWTYSFIRQ-SJLPKXTDSA-N 1 0 319.832 3.994 20 10 DHCDRO CC[C@@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775511698 1038604608 /nfs/dbraw/zinc/60/46/08/1038604608.db2.gz HTZNHRMXNIFOQI-OAHLLOKOSA-N 1 0 319.836 3.984 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccccc1O ZINC000775522462 1038633506 /nfs/dbraw/zinc/63/35/06/1038633506.db2.gz QFSAEGWDCBMGQA-GOEBONIOSA-N 1 0 321.486 3.878 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775524379 1038642591 /nfs/dbraw/zinc/64/25/91/1038642591.db2.gz OPXLMTOGXPHARU-HOTGVXAUSA-N 1 0 323.795 3.959 20 10 DHCDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(=O)OC ZINC000760871902 1038961977 /nfs/dbraw/zinc/96/19/77/1038961977.db2.gz WUOVCYXMDZKTGZ-AWEZNQCLSA-N 1 0 307.434 3.639 20 10 DHCDRO CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)OC ZINC000760884386 1038962663 /nfs/dbraw/zinc/96/26/63/1038962663.db2.gz QRXHELZFDIOJQH-DGCLKSJQSA-N 1 0 323.408 3.649 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000157516298 1039026337 /nfs/dbraw/zinc/02/63/37/1039026337.db2.gz AZRDNDRZIOBPCA-ICSRJNTNSA-N 1 0 316.489 3.828 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157652560 1039102370 /nfs/dbraw/zinc/10/23/70/1039102370.db2.gz CLJKIZLBPRNXQL-RTBURBONSA-N 1 0 316.420 3.666 20 10 DHCDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000157924481 1039684092 /nfs/dbraw/zinc/68/40/92/1039684092.db2.gz WRQJKWYGDPFYSR-GFCCVEGCSA-N 1 0 303.475 3.719 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000169133854 1040335551 /nfs/dbraw/zinc/33/55/51/1040335551.db2.gz SLRFCCFETYUIMW-JXFKEZNVSA-N 1 0 312.457 3.701 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)NC(=O)OC(C)(C)C ZINC000227713126 1040367246 /nfs/dbraw/zinc/36/72/46/1040367246.db2.gz BVXKRQHVKPKFAD-KBPBESRZSA-N 1 0 322.449 3.655 20 10 DHCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1O ZINC000231751364 1040393603 /nfs/dbraw/zinc/39/36/03/1040393603.db2.gz SNQGYCLKLSOERI-SSDOTTSWSA-N 1 0 312.129 3.585 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000174480934 1040646655 /nfs/dbraw/zinc/64/66/55/1040646655.db2.gz RFQLESJGSWXVEG-INIZCTEOSA-N 1 0 303.402 3.642 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(F)ccc1O ZINC000094616955 193385425 /nfs/dbraw/zinc/38/54/25/193385425.db2.gz MVVGIKVVELQZRU-SMDDNHRTSA-N 1 0 308.422 3.546 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000042879423 183315872 /nfs/dbraw/zinc/31/58/72/183315872.db2.gz RGXUFMZSOPGZKK-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(O)c1 ZINC000105486491 194105956 /nfs/dbraw/zinc/10/59/56/194105956.db2.gz GFKCSCRCELNKMB-QGZVFWFLSA-N 1 0 313.397 3.664 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000271587931 129939438 /nfs/dbraw/zinc/93/94/38/129939438.db2.gz XVYILHPOFZKALU-NUJGCVRESA-N 1 0 302.462 3.895 20 10 DHCDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1O)CC3 ZINC000273068402 130087016 /nfs/dbraw/zinc/08/70/16/130087016.db2.gz MTVMWRNZCHPQTO-CQSZACIVSA-N 1 0 322.408 3.529 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491833 130128514 /nfs/dbraw/zinc/12/85/14/130128514.db2.gz NKXPKYACSRHRPX-HKUYNNGSSA-N 1 0 315.388 3.883 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1O ZINC000273515507 130130767 /nfs/dbraw/zinc/13/07/67/130130767.db2.gz SNAOSQWFAQVIJL-PXAZEXFGSA-N 1 0 307.397 3.997 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527020 130132339 /nfs/dbraw/zinc/13/23/39/130132339.db2.gz VMXMTMKTHLTGMW-CHWSQXEVSA-N 1 0 302.422 3.662 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1C ZINC000273565268 130136391 /nfs/dbraw/zinc/13/63/91/130136391.db2.gz JGCZEQFMLCOQLV-SUMWQHHRSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273563041 130136418 /nfs/dbraw/zinc/13/64/18/130136418.db2.gz ISEUGNVRSCYXPA-IUODEOHRSA-N 1 0 301.434 3.501 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)CCO2 ZINC000274277086 130224090 /nfs/dbraw/zinc/22/40/90/130224090.db2.gz TWZNKKGDROMYSY-KRWDZBQOSA-N 1 0 313.397 3.626 20 10 DHCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000282451010 130922853 /nfs/dbraw/zinc/92/28/53/130922853.db2.gz ZTKPCFSHRJDIJO-IEBWSBKVSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000284365017 131074132 /nfs/dbraw/zinc/07/41/32/131074132.db2.gz NHLLAHFFADRIDT-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000285478377 131171958 /nfs/dbraw/zinc/17/19/58/131171958.db2.gz BGQIWFBIMRTIFL-GOSISDBHSA-N 1 0 316.420 3.834 20 10 DHCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000285490877 131173049 /nfs/dbraw/zinc/17/30/49/131173049.db2.gz MHPDYAUYCPWBCX-UHFFFAOYSA-N 1 0 305.397 3.521 20 10 DHCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]CC3(C)COC3)cc2Cl)C1 ZINC000285981607 131213140 /nfs/dbraw/zinc/21/31/40/131213140.db2.gz OAEZDPWXNYSAPM-CQSZACIVSA-N 1 0 322.880 3.702 20 10 DHCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000286954725 131257275 /nfs/dbraw/zinc/25/72/75/131257275.db2.gz HORFEYYKHAGJOP-INIZCTEOSA-N 1 0 300.446 3.674 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430045 132155691 /nfs/dbraw/zinc/15/56/91/132155691.db2.gz JTMQLBTUHLVZSC-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO CC(C)(O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294299688 335120554 /nfs/dbraw/zinc/12/05/54/335120554.db2.gz NFHLQKSQMRMHTF-SFHVURJKSA-N 1 0 313.441 3.817 20 10 DHCDRO CCc1nc(C)c(C[NH2+]Cc2ccc(N(CC)CC)cc2)o1 ZINC000291683384 333113964 /nfs/dbraw/zinc/11/39/64/333113964.db2.gz HYSRZGUUFCKCII-UHFFFAOYSA-N 1 0 301.434 3.681 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000185398165 333208135 /nfs/dbraw/zinc/20/81/35/333208135.db2.gz ZDWFCVXHRVSQOT-GFCCVEGCSA-N 1 0 304.365 3.566 20 10 DHCDRO COCc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccc1F ZINC000185495958 333209360 /nfs/dbraw/zinc/20/93/60/333209360.db2.gz FCHSZCTYLABHFT-NSHDSACASA-N 1 0 307.340 3.668 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)C(F)F ZINC000295048383 335130238 /nfs/dbraw/zinc/13/02/38/335130238.db2.gz NHORGQBVLWRPBT-DOTOQJQBSA-N 1 0 321.367 3.553 20 10 DHCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000295883847 335138161 /nfs/dbraw/zinc/13/81/61/335138161.db2.gz BLZCBMDVZYZQNH-QGZVFWFLSA-N 1 0 317.454 3.532 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(N2CCCCC2)cc1 ZINC000296450612 335142312 /nfs/dbraw/zinc/14/23/12/335142312.db2.gz MSTYYNKQLLRSQC-DLBZAZTESA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296447617 335142323 /nfs/dbraw/zinc/14/23/23/335142323.db2.gz OBDARMPVMMFSGM-AWEZNQCLSA-N 1 0 322.468 3.701 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCCCC2)cc1 ZINC000296486467 335144516 /nfs/dbraw/zinc/14/45/16/335144516.db2.gz OMKAORSMCMLSFH-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO CCOC(CC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1)OCC ZINC000276457951 334078796 /nfs/dbraw/zinc/07/87/96/334078796.db2.gz BQDHTGPWLSBCQJ-KRWDZBQOSA-N 1 0 308.466 3.583 20 10 DHCDRO CCOC(CC[NH2+][C@H](C)c1ccc(N(C)CC)cc1)OCC ZINC000276480691 334079566 /nfs/dbraw/zinc/07/95/66/334079566.db2.gz GABKYKUAQFTQMF-OAHLLOKOSA-N 1 0 308.466 3.583 20 10 DHCDRO COc1ccc(O)c(CNc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000280200956 334115329 /nfs/dbraw/zinc/11/53/29/334115329.db2.gz HYWBWLHCPHKIKQ-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc2ccccc2c1O ZINC000289802839 334167983 /nfs/dbraw/zinc/16/79/83/334167983.db2.gz OBJVPGBMXVRDOW-CQSZACIVSA-N 1 0 321.424 3.857 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000192928403 336284468 /nfs/dbraw/zinc/28/44/68/336284468.db2.gz ASOFNPHQQBQYEB-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000368483847 336845819 /nfs/dbraw/zinc/84/58/19/336845819.db2.gz VEJXRUOABFLJHG-PSVSLLHZSA-N 1 0 317.360 3.713 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000368797658 336853011 /nfs/dbraw/zinc/85/30/11/336853011.db2.gz OCQXXIPMNCHAGU-CQSZACIVSA-N 1 0 319.445 3.600 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000368863625 336854144 /nfs/dbraw/zinc/85/41/44/336854144.db2.gz TVROIDHCIMPKOA-OAHLLOKOSA-N 1 0 317.360 3.543 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000371864525 336914843 /nfs/dbraw/zinc/91/48/43/336914843.db2.gz LTIFHBQPWQEWFK-CQSZACIVSA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000373226536 336953845 /nfs/dbraw/zinc/95/38/45/336953845.db2.gz CPSJIRFCCACEMB-UHFFFAOYSA-N 1 0 309.837 3.745 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000374495186 336990582 /nfs/dbraw/zinc/99/05/82/336990582.db2.gz HOQOXIFDKRGILB-FXAWDEMLSA-N 1 0 311.425 3.876 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255467 337006679 /nfs/dbraw/zinc/00/66/79/337006679.db2.gz GNAJJCICETUFCD-RDJZCZTQSA-N 1 0 313.445 3.532 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375338894 337008388 /nfs/dbraw/zinc/00/83/88/337008388.db2.gz UGPFCRLNOOHHOB-UHFFFAOYSA-N 1 0 313.420 3.608 20 10 DHCDRO COc1cccc(C[N@@H+]2CCSC[C@H]2c2cccs2)c1O ZINC000377251314 337049473 /nfs/dbraw/zinc/04/94/73/337049473.db2.gz PXTPPXHJJBQZSF-ZDUSSCGKSA-N 1 0 321.467 3.752 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@H]2CCCc3cccnc32)c1 ZINC000377690677 337058534 /nfs/dbraw/zinc/05/85/34/337058534.db2.gz DMOVQCHGKMYQQO-GUYCJALGSA-N 1 0 312.413 3.866 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377835782 337062013 /nfs/dbraw/zinc/06/20/13/337062013.db2.gz WLVGGUYVJYCQJA-ARFHVFGLSA-N 1 0 319.445 3.600 20 10 DHCDRO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000378164322 337067522 /nfs/dbraw/zinc/06/75/22/337067522.db2.gz NLWGIRZNNPRQLF-SFHVURJKSA-N 1 0 310.445 3.567 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000378490440 337074115 /nfs/dbraw/zinc/07/41/15/337074115.db2.gz CSUVRWZMBAMJRO-UHFFFAOYSA-N 1 0 308.356 3.883 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1O ZINC000378624643 337076978 /nfs/dbraw/zinc/07/69/78/337076978.db2.gz NVAYZPFANFXEBF-TZMCWYRMSA-N 1 0 318.367 3.600 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1O ZINC000185209289 337203309 /nfs/dbraw/zinc/20/33/09/337203309.db2.gz LDCVNQUUGIKPQR-KRWDZBQOSA-N 1 0 307.397 3.819 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112781 337253747 /nfs/dbraw/zinc/25/37/47/337253747.db2.gz AXIJDUCEJDYCCC-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960252 518178321 /nfs/dbraw/zinc/17/83/21/518178321.db2.gz FNLZTRDQGFLKHP-OXQOHEQNSA-N 1 0 312.457 3.917 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2C)c1O ZINC000181563573 518287587 /nfs/dbraw/zinc/28/75/87/518287587.db2.gz HPUGNTYGPKIKDK-GFCCVEGCSA-N 1 0 301.361 3.893 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1 ZINC000160299470 520285675 /nfs/dbraw/zinc/28/56/75/520285675.db2.gz SWUREKRNWGYFDK-MRXNPFEDSA-N 1 0 322.456 3.950 20 10 DHCDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)CCC2 ZINC000160542876 522475543 /nfs/dbraw/zinc/47/55/43/522475543.db2.gz ZHHMIDSKXHLIJQ-HNNXBMFYSA-N 1 0 315.486 3.939 20 10 DHCDRO COC(C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1)OC ZINC000162153332 522529888 /nfs/dbraw/zinc/52/98/88/522529888.db2.gz RAFDCXUSYSEONE-OAHLLOKOSA-N 1 0 315.413 3.574 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Br)ccc1O ZINC000229564766 522697423 /nfs/dbraw/zinc/69/74/23/522697423.db2.gz WFXLDRIPPAJPIK-ZANVPECISA-N 1 0 324.222 3.680 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157774706 522756421 /nfs/dbraw/zinc/75/64/21/522756421.db2.gz YUELIGINQHCTNR-WDSOQIARSA-N 1 0 302.462 3.751 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC000159623517 522774309 /nfs/dbraw/zinc/77/43/09/522774309.db2.gz FRYASCDUIMGNIY-INIZCTEOSA-N 1 0 313.397 3.747 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Br)ccc1O ZINC000229564760 522915119 /nfs/dbraw/zinc/91/51/19/522915119.db2.gz WFXLDRIPPAJPIK-TVQRCGJNSA-N 1 0 324.222 3.680 20 10 DHCDRO CCc1oc2ccccc2c1C[NH2+]Cc1cccc(OC)c1O ZINC000265079667 523008625 /nfs/dbraw/zinc/00/86/25/523008625.db2.gz HYSZRDXIKFAHAO-UHFFFAOYSA-N 1 0 311.381 3.999 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4[nH]ccc43)ccc21 ZINC000237188741 523863966 /nfs/dbraw/zinc/86/39/66/523863966.db2.gz IEIWQKPLOQRTBB-UHFFFAOYSA-N 1 0 305.425 3.840 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@@H](CC)c2ccccc2O)o1 ZINC000156014214 524051286 /nfs/dbraw/zinc/05/12/86/524051286.db2.gz ABXHBMIVYCPLFL-HOTGVXAUSA-N 1 0 303.402 3.976 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000364886439 524394053 /nfs/dbraw/zinc/39/40/53/524394053.db2.gz SENNNQSPRWJZPD-IBGZPJMESA-N 1 0 323.440 3.570 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000151038966 525444857 /nfs/dbraw/zinc/44/48/57/525444857.db2.gz KOFVMMLPNVHPJI-INIZCTEOSA-N 1 0 324.472 3.599 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000157574037 525516154 /nfs/dbraw/zinc/51/61/54/525516154.db2.gz PLAYIACFMNWRGF-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2O[C@@H]1C)c1cc(F)ccc1O ZINC000368484740 525590527 /nfs/dbraw/zinc/59/05/27/525590527.db2.gz ZEQKYLJKMPDMHV-IEVXNVSRSA-N 1 0 305.324 3.843 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000127139241 525622752 /nfs/dbraw/zinc/62/27/52/525622752.db2.gz DSTXDZWILKMAGD-RDJZCZTQSA-N 1 0 302.462 3.895 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c(O)c1 ZINC000365154448 525939709 /nfs/dbraw/zinc/93/97/09/525939709.db2.gz GPCFVITWYPCATD-UVFQYZLESA-N 1 0 311.425 3.647 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(OCC(C)C)cc2)c1O ZINC000237221738 526025745 /nfs/dbraw/zinc/02/57/45/526025745.db2.gz IPXZHPPBEPBXME-UHFFFAOYSA-N 1 0 315.413 3.725 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180257738 526348240 /nfs/dbraw/zinc/34/82/40/526348240.db2.gz SAVNRMAIKCAMNX-GDBMZVCRSA-N 1 0 321.417 3.681 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000190178983 526354624 /nfs/dbraw/zinc/35/46/24/526354624.db2.gz YJLNFWNBMXGSMC-FQEVSTJZSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cc(C)ccc1O ZINC000366370148 527105410 /nfs/dbraw/zinc/10/54/10/527105410.db2.gz JEUWLADGIYKXEN-ZDUSSCGKSA-N 1 0 302.443 3.675 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000274916813 535910927 /nfs/dbraw/zinc/91/09/27/535910927.db2.gz OLDSHYQZOUOQNA-HOCLYGCPSA-N 1 0 323.795 3.959 20 10 DHCDRO COCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000296281264 536819499 /nfs/dbraw/zinc/81/94/99/536819499.db2.gz CSOVIDMGOUYALT-GJZGRUSLSA-N 1 0 301.386 3.648 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c(OC)c1 ZINC000283925303 536896640 /nfs/dbraw/zinc/89/66/40/536896640.db2.gz DVKOEFGTSBWZCY-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289309872 537022412 /nfs/dbraw/zinc/02/24/12/537022412.db2.gz SXKCXZGQHPQJAC-QGZVFWFLSA-N 1 0 314.404 3.677 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870329 1013192612 /nfs/dbraw/zinc/19/26/12/1013192612.db2.gz GDYNSSQCOMASIB-KSSFIOAISA-N 1 0 300.450 3.771 20 10 DHCDRO CCC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC1CC1 ZINC000296488392 1013208278 /nfs/dbraw/zinc/20/82/78/1013208278.db2.gz KXBRZUYAYVBZEE-UHFFFAOYSA-N 1 0 316.489 3.924 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000894431160 1013357829 /nfs/dbraw/zinc/35/78/29/1013357829.db2.gz NQJONHXJOVQTBP-WCQYABFASA-N 1 0 317.351 3.872 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3nc(C)sc32)c1O ZINC000894431674 1013358617 /nfs/dbraw/zinc/35/86/17/1013358617.db2.gz RTZHBPFGSAWCEO-ZDUSSCGKSA-N 1 0 318.442 3.641 20 10 DHCDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000155441934 1013706610 /nfs/dbraw/zinc/70/66/10/1013706610.db2.gz GJCHKWBDCHBSRG-AWEZNQCLSA-N 1 0 311.429 3.562 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000177386501 1013731503 /nfs/dbraw/zinc/73/15/03/1013731503.db2.gz TVGWDBYJPVGZLM-TZMCWYRMSA-N 1 0 310.388 3.645 20 10 DHCDRO CCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000177712097 1014032051 /nfs/dbraw/zinc/03/20/51/1014032051.db2.gz RHORVQUUVRYGOO-UHFFFAOYSA-N 1 0 314.223 3.586 20 10 DHCDRO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(O)cc1C ZINC000160383512 1014037156 /nfs/dbraw/zinc/03/71/56/1014037156.db2.gz KSXPHGRUMMXLFQ-WMLDXEAASA-N 1 0 307.459 3.569 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000160442336 1014071653 /nfs/dbraw/zinc/07/16/53/1014071653.db2.gz XXPBTRPLAXCLIU-HQRMLTQVSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000086583874 1014109803 /nfs/dbraw/zinc/10/98/03/1014109803.db2.gz XCIQALQCHZJYII-UHFFFAOYSA-N 1 0 304.821 3.704 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Br)ccc1O ZINC000810257994 1026730552 /nfs/dbraw/zinc/73/05/52/1026730552.db2.gz XTXSCODHXKHDBW-GBIKHYSHSA-N 1 0 316.239 3.619 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1O ZINC000815645638 1028591331 /nfs/dbraw/zinc/59/13/31/1028591331.db2.gz LTUNABUVFOAQKW-VHSXEESVSA-N 1 0 304.203 3.862 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CC(F)(F)C2)c1O ZINC000760036893 1014282257 /nfs/dbraw/zinc/28/22/57/1014282257.db2.gz GHWDRVKZOTXTEX-QMMMGPOBSA-N 1 0 320.177 3.911 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccccc1O ZINC000783490726 1014455926 /nfs/dbraw/zinc/45/59/26/1014455926.db2.gz MIDQZCHBFKRPLW-LBPRGKRZSA-N 1 0 307.340 3.887 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)o1 ZINC000160841260 1014686284 /nfs/dbraw/zinc/68/62/84/1014686284.db2.gz BVAAMYSWSIQPFG-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000276141519 1014715520 /nfs/dbraw/zinc/71/55/20/1014715520.db2.gz NMAAIOGYIREYSN-AXFHLTTASA-N 1 0 316.239 3.537 20 10 DHCDRO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891398997 1014850770 /nfs/dbraw/zinc/85/07/70/1014850770.db2.gz HLZHOMQXYVSHGG-UHFFFAOYSA-N 1 0 314.477 3.779 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)CC)cc2)C1(C)C ZINC001167474148 1015056225 /nfs/dbraw/zinc/05/62/25/1015056225.db2.gz PYYOFLGPJOKZQR-MSOLQXFVSA-N 1 0 304.478 3.778 20 10 DHCDRO COc1ccc(CNc2[nH+]ccc(C)c2C2CC2)c(O)c1OC ZINC000895347113 1015078123 /nfs/dbraw/zinc/07/81/23/1015078123.db2.gz DAUUZQQDJSTGPX-UHFFFAOYSA-N 1 0 314.385 3.602 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000707157312 1015133941 /nfs/dbraw/zinc/13/39/41/1015133941.db2.gz MWBWEKAXCWLRBS-QMMMGPOBSA-N 1 0 324.140 3.539 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895584950 1015211165 /nfs/dbraw/zinc/21/11/65/1015211165.db2.gz VZRKZDLZIAXIKL-OAHLLOKOSA-N 1 0 301.459 3.507 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895580963 1015216080 /nfs/dbraw/zinc/21/60/80/1015216080.db2.gz JOODQHMSGQCWAM-SNVBAGLBSA-N 1 0 324.833 3.500 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846535 1015330781 /nfs/dbraw/zinc/33/07/81/1015330781.db2.gz PWGMHKZRQGFHDH-QUCCMNQESA-N 1 0 314.473 3.678 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(F)cc2F)c1 ZINC000895854804 1015333730 /nfs/dbraw/zinc/33/37/30/1015333730.db2.gz OVPJZVZOXKMZJX-UHFFFAOYSA-N 1 0 307.340 3.704 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(O)c1OC ZINC000891536381 1015363758 /nfs/dbraw/zinc/36/37/58/1015363758.db2.gz IKYUYTLLLRWEBR-GFCCVEGCSA-N 1 0 319.376 3.742 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896280668 1015532700 /nfs/dbraw/zinc/53/27/00/1015532700.db2.gz HUFCIDXEEMKFNT-UHFFFAOYSA-N 1 0 320.795 3.748 20 10 DHCDRO C[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccccc1O ZINC000091974745 1015741125 /nfs/dbraw/zinc/74/11/25/1015741125.db2.gz PVDMAFNEBIMAQV-UHFFFAOYSA-N 1 0 311.410 3.543 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000896887233 1015802766 /nfs/dbraw/zinc/80/27/66/1015802766.db2.gz JLNBXTJERRMXTE-NVXWUHKLSA-N 1 0 303.352 3.839 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000280944990 1015812544 /nfs/dbraw/zinc/81/25/44/1015812544.db2.gz RCINKIFXLWIZSH-UHFFFAOYSA-N 1 0 324.346 3.767 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000281147249 1015835832 /nfs/dbraw/zinc/83/58/32/1015835832.db2.gz OULOKPHMFPCCGY-GJZGRUSLSA-N 1 0 324.415 3.609 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1nccn1C1CC1)C1CCCC1 ZINC000892013712 1016108408 /nfs/dbraw/zinc/10/84/08/1016108408.db2.gz VZIZROHZWCNIRD-UHFFFAOYSA-N 1 0 311.429 3.868 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834854 1016390473 /nfs/dbraw/zinc/39/04/73/1016390473.db2.gz HQELEWFFLLJIOV-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000184971370 1016468675 /nfs/dbraw/zinc/46/86/75/1016468675.db2.gz MUANDYIBPRZRLU-OAHLLOKOSA-N 1 0 316.470 3.641 20 10 DHCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000281360241 1016487183 /nfs/dbraw/zinc/48/71/83/1016487183.db2.gz WAMFKXCZQUFGTE-GOSISDBHSA-N 1 0 314.404 3.677 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(F)ccc1O ZINC000185032904 1016503425 /nfs/dbraw/zinc/50/34/25/1016503425.db2.gz PNBRROJGWZDTKW-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1O ZINC000281662832 1016653052 /nfs/dbraw/zinc/65/30/52/1016653052.db2.gz QHNFNUZIBCNPSX-OAHLLOKOSA-N 1 0 317.458 3.558 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000185233570 1016776564 /nfs/dbraw/zinc/77/65/64/1016776564.db2.gz FFCODFLGKYRYMN-OAHLLOKOSA-N 1 0 310.441 3.934 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000185457365 1016934854 /nfs/dbraw/zinc/93/48/54/1016934854.db2.gz PUPOSXCHYZPWTE-GDBMZVCRSA-N 1 0 314.404 3.851 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2C)c1 ZINC000185575263 1017019930 /nfs/dbraw/zinc/01/99/30/1017019930.db2.gz OOAGVLHCSHBBLR-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185579887 1017029627 /nfs/dbraw/zinc/02/96/27/1017029627.db2.gz MIUVIYQNSQWBBU-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897082528 1017035440 /nfs/dbraw/zinc/03/54/40/1017035440.db2.gz UCPMPEXMORYCEU-SUMWQHHRSA-N 1 0 309.837 3.649 20 10 DHCDRO COC1(C[C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)CCC1 ZINC000475189041 1017042145 /nfs/dbraw/zinc/04/21/45/1017042145.db2.gz CWUPLKZHEJGGEC-CQSZACIVSA-N 1 0 300.446 3.924 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294823730 1032171096 /nfs/dbraw/zinc/17/10/96/1032171096.db2.gz QPSILWZZZVFQPM-CQSZACIVSA-N 1 0 315.461 3.718 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000772960828 1032197051 /nfs/dbraw/zinc/19/70/51/1032197051.db2.gz QNEKLCMUYGEAFA-ZDUSSCGKSA-N 1 0 320.383 3.760 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(Sc3ccccn3)CC2)c1O ZINC000362046699 1032209637 /nfs/dbraw/zinc/20/96/37/1032209637.db2.gz OOBKIZZUJGUARI-UHFFFAOYSA-N 1 0 314.454 3.852 20 10 DHCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294978562 1032232788 /nfs/dbraw/zinc/23/27/88/1032232788.db2.gz LSFXEWHWLDXUTP-CVEARBPZSA-N 1 0 304.478 3.826 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000773002771 1032520416 /nfs/dbraw/zinc/52/04/16/1032520416.db2.gz YVUWDEWNTHBOLS-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773038832 1032535756 /nfs/dbraw/zinc/53/57/56/1032535756.db2.gz HMFMBDFNJIQUBJ-OALUTQOASA-N 1 0 304.478 3.735 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2sccc2C)cc1 ZINC000773043532 1032537086 /nfs/dbraw/zinc/53/70/86/1032537086.db2.gz CPXUYKJDWYZLQP-RHSMWYFYSA-N 1 0 318.486 3.897 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNc2cccc(C)n2)cc1 ZINC000773043896 1032538414 /nfs/dbraw/zinc/53/84/14/1032538414.db2.gz NMSQTTXCDTUIND-INIZCTEOSA-N 1 0 312.461 3.609 20 10 DHCDRO COc1cccc(C[NH+]2CCC3(CCSCC3)CC2)c1O ZINC000877674259 1033407694 /nfs/dbraw/zinc/40/76/94/1033407694.db2.gz LTBVVBVFOJUEQY-UHFFFAOYSA-N 1 0 307.459 3.510 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)ncn1 ZINC000773106010 1032560315 /nfs/dbraw/zinc/56/03/15/1032560315.db2.gz JGUIWFKPXJBARC-MRXNPFEDSA-N 1 0 310.445 3.626 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc2c(c1)OCO2 ZINC000036982026 1032623661 /nfs/dbraw/zinc/62/36/61/1032623661.db2.gz KTFMHWMITYGSEK-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000124962015 1032627192 /nfs/dbraw/zinc/62/71/92/1032627192.db2.gz HUEKIXZQEXOKCD-FCGDIQPGSA-N 1 0 302.462 3.751 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2c(C)noc2C)c1O ZINC000289864516 1012866110 /nfs/dbraw/zinc/86/61/10/1012866110.db2.gz QUQOPSVSVSMWMK-UHFFFAOYSA-N 1 0 324.808 3.684 20 10 DHCDRO COCC1(C)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000773267520 1032669228 /nfs/dbraw/zinc/66/92/28/1032669228.db2.gz JWMLRSNJDJGDOV-UHFFFAOYSA-N 1 0 303.446 3.520 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000115629577 1032684417 /nfs/dbraw/zinc/68/44/17/1032684417.db2.gz JHGRFLKABSWGOE-UHFFFAOYSA-N 1 0 320.383 3.952 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000840941613 1017521021 /nfs/dbraw/zinc/52/10/21/1017521021.db2.gz DJPIJDJQXWBBMN-ZDUSSCGKSA-N 1 0 300.368 3.835 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840950605 1017533743 /nfs/dbraw/zinc/53/37/43/1017533743.db2.gz LWJYAMJMOBFAMR-ZDUSSCGKSA-N 1 0 309.837 3.793 20 10 DHCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756314 1033434333 /nfs/dbraw/zinc/43/43/33/1033434333.db2.gz GQSRVJYCIPUTEU-GFCCVEGCSA-N 1 0 301.434 3.811 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979670 1017593909 /nfs/dbraw/zinc/59/39/09/1017593909.db2.gz LUFAYQQTRZOJLC-UONOGXRCSA-N 1 0 322.449 3.655 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000120217266 1017716932 /nfs/dbraw/zinc/71/69/32/1017716932.db2.gz WEEATMKBKVLKNU-BBRMVZONSA-N 1 0 303.446 3.879 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000700451517 1017900214 /nfs/dbraw/zinc/90/02/14/1017900214.db2.gz JZODCLZGMTVLGG-UHFFFAOYSA-N 1 0 316.582 3.691 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161495139 1017967361 /nfs/dbraw/zinc/96/73/61/1017967361.db2.gz KNYOFRFLLGYOBG-AZUAARDMSA-N 1 0 312.457 3.569 20 10 DHCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701061513 1017996957 /nfs/dbraw/zinc/99/69/57/1017996957.db2.gz YSVXDIANKAFKOW-VXGBXAGGSA-N 1 0 316.264 3.528 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000701920900 1018122897 /nfs/dbraw/zinc/12/28/97/1018122897.db2.gz TYMCBAQYNSUCPO-DZGCQCFKSA-N 1 0 322.449 3.688 20 10 DHCDRO C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccccc1O ZINC000114721346 1018185687 /nfs/dbraw/zinc/18/56/87/1018185687.db2.gz HYIJGUJHNJOYPV-ZDUSSCGKSA-N 1 0 309.369 3.635 20 10 DHCDRO CCCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764514063 1018303401 /nfs/dbraw/zinc/30/34/01/1018303401.db2.gz IZALVSUTLCGKOH-OAHLLOKOSA-N 1 0 308.441 3.893 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000764716817 1018356054 /nfs/dbraw/zinc/35/60/54/1018356054.db2.gz LPFSJLMWHALJRS-INIZCTEOSA-N 1 0 322.456 3.721 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544168 1032758750 /nfs/dbraw/zinc/75/87/50/1032758750.db2.gz RLYGUTZPKYMWJL-ZDUSSCGKSA-N 1 0 321.342 3.799 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1)N1CCCC1 ZINC000764868803 1018409982 /nfs/dbraw/zinc/40/99/82/1018409982.db2.gz JBQKSOCVNMNEBZ-FUHWJXTLSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000765102963 1018475890 /nfs/dbraw/zinc/47/58/90/1018475890.db2.gz CZEWPOHPTZEZGA-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765119191 1018478554 /nfs/dbraw/zinc/47/85/54/1018478554.db2.gz SVOIHULLTCOGSI-INIZCTEOSA-N 1 0 320.452 3.887 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000858137366 1032776077 /nfs/dbraw/zinc/77/60/77/1032776077.db2.gz NVKRREMRULVQOR-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278388047 1018646540 /nfs/dbraw/zinc/64/65/40/1018646540.db2.gz AARTWGOHUAUUGK-DIFFPNOSSA-N 1 0 323.795 3.877 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2SCCS2)cc1 ZINC000693811010 1018714636 /nfs/dbraw/zinc/71/46/36/1018714636.db2.gz SJXQBPIALWIGBT-UHFFFAOYSA-N 1 0 310.532 3.819 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765254574 1018736767 /nfs/dbraw/zinc/73/67/67/1018736767.db2.gz NNQCJOUBSUOJEN-VQIMIIECSA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)(C)SCC[NH2+]Cc1c(O)cccc1Br ZINC000706809773 1018763066 /nfs/dbraw/zinc/76/30/66/1018763066.db2.gz MYABNGHEJIXJJA-UHFFFAOYSA-N 1 0 318.280 3.776 20 10 DHCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1c(O)cccc1Br ZINC000706843755 1018769315 /nfs/dbraw/zinc/76/93/15/1018769315.db2.gz XHTIYMCNAMITOG-NSHDSACASA-N 1 0 324.218 3.859 20 10 DHCDRO CCSC1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706844471 1018769851 /nfs/dbraw/zinc/76/98/51/1018769851.db2.gz OUYJZTXZUVNDDW-UHFFFAOYSA-N 1 0 316.264 3.530 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000765443394 1018788105 /nfs/dbraw/zinc/78/81/05/1018788105.db2.gz FOFUCJNSDUIPNT-CVEARBPZSA-N 1 0 304.478 3.969 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000858161858 1032786336 /nfs/dbraw/zinc/78/63/36/1032786336.db2.gz ZCXJSRFECDFAKR-SECBINFHSA-N 1 0 320.177 3.680 20 10 DHCDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000186486942 1018847155 /nfs/dbraw/zinc/84/71/55/1018847155.db2.gz WTUKIDDOWHEWKJ-HNNXBMFYSA-N 1 0 322.456 3.533 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCCC1CCOCC1 ZINC000765929981 1018862151 /nfs/dbraw/zinc/86/21/51/1018862151.db2.gz ZCASQVRNKFOVOW-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO COCC(C)(C)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858163326 1032790801 /nfs/dbraw/zinc/79/08/01/1032790801.db2.gz BRNBPBRCIGIXGL-UHFFFAOYSA-N 1 0 314.420 3.573 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)cc1 ZINC000921553697 1019054620 /nfs/dbraw/zinc/05/46/20/1019054620.db2.gz LOGVFLYZHLQFHK-UHFFFAOYSA-N 1 0 312.461 3.744 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765955586 1019115853 /nfs/dbraw/zinc/11/58/53/1019115853.db2.gz AYYKURUAXWHLJD-VQIMIIECSA-N 1 0 302.462 3.754 20 10 DHCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921944357 1019180327 /nfs/dbraw/zinc/18/03/27/1019180327.db2.gz GAAZWXJLVBHYQY-WMZOPIPTSA-N 1 0 303.446 3.695 20 10 DHCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921944355 1019180416 /nfs/dbraw/zinc/18/04/16/1019180416.db2.gz GAAZWXJLVBHYQY-FUHWJXTLSA-N 1 0 303.446 3.695 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1SC ZINC000858237336 1032812917 /nfs/dbraw/zinc/81/29/17/1032812917.db2.gz KFOJMVFHDXMQMQ-UHFFFAOYSA-N 1 0 303.427 3.721 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2c(C3CC3)nc3sccn23)c1 ZINC000858238404 1032812948 /nfs/dbraw/zinc/81/29/48/1032812948.db2.gz YYXTVADXJFYSMZ-UHFFFAOYSA-N 1 0 313.426 3.577 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948924 1019197205 /nfs/dbraw/zinc/19/72/05/1019197205.db2.gz GPTZTKCVGRWKSY-CZUORRHYSA-N 1 0 317.454 3.675 20 10 DHCDRO COCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921973801 1019245760 /nfs/dbraw/zinc/24/57/60/1019245760.db2.gz KYXVARODCNNNGS-KRWDZBQOSA-N 1 0 315.413 3.780 20 10 DHCDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922010467 1019299421 /nfs/dbraw/zinc/29/94/21/1019299421.db2.gz NSUFKMCLERPMNA-UHFFFAOYSA-N 1 0 311.425 3.529 20 10 DHCDRO CC(C)(C)c1cccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001143104312 1019376660 /nfs/dbraw/zinc/37/66/60/1019376660.db2.gz RVMJMNCDBKJAIP-IBGZPJMESA-N 1 0 305.462 3.673 20 10 DHCDRO COc1cc(C[NH2+]Cc2cccnc2C)c(O)c(C(C)(C)C)c1 ZINC000858273547 1032827676 /nfs/dbraw/zinc/82/76/76/1032827676.db2.gz FBCFRTQIWITQNR-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000858292694 1032833411 /nfs/dbraw/zinc/83/34/11/1032833411.db2.gz DCXWCYJNKYTVBI-UHFFFAOYSA-N 1 0 320.440 3.791 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1 ZINC000186183872 1019613637 /nfs/dbraw/zinc/61/36/37/1019613637.db2.gz YAGVSTOOXFUVAJ-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000186189324 1019649989 /nfs/dbraw/zinc/64/99/89/1019649989.db2.gz IQPLCCYJPVTYTK-BOFPYLFWSA-N 1 0 314.404 3.627 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000922215743 1019892524 /nfs/dbraw/zinc/89/25/24/1019892524.db2.gz FUNGMWMHLCQJDF-CHWSQXEVSA-N 1 0 313.397 3.575 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129913198 1032861142 /nfs/dbraw/zinc/86/11/42/1032861142.db2.gz TUHMNSUVNDXGFT-SFHVURJKSA-N 1 0 314.473 3.678 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000858363922 1032862936 /nfs/dbraw/zinc/86/29/36/1032862936.db2.gz AUMRHRCYUFMOJJ-HNNXBMFYSA-N 1 0 301.459 3.685 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000922283611 1019962232 /nfs/dbraw/zinc/96/22/32/1019962232.db2.gz FKBQTDKONJFMJB-FUHWJXTLSA-N 1 0 303.446 3.776 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171760092 1032864787 /nfs/dbraw/zinc/86/47/87/1032864787.db2.gz QMRYLPUTXQHILR-PXNSSMCTSA-N 1 0 324.468 3.877 20 10 DHCDRO CCC[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CCCCO1 ZINC000730256023 1019968423 /nfs/dbraw/zinc/96/84/23/1019968423.db2.gz QRYCSLXZYOWERJ-MRXNPFEDSA-N 1 0 314.429 3.722 20 10 DHCDRO CCC[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@@H]1CCCCO1 ZINC000730256129 1019968919 /nfs/dbraw/zinc/96/89/19/1019968919.db2.gz VCCUEXJHNSGGGE-SFHVURJKSA-N 1 0 303.446 3.662 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000922421989 1020066852 /nfs/dbraw/zinc/06/68/52/1020066852.db2.gz CEDFVADHYXJGPG-SFESLNEESA-N 1 0 307.459 3.555 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000922542902 1020122869 /nfs/dbraw/zinc/12/28/69/1020122869.db2.gz GDXGMYHQYVTJTJ-CYBMUJFWSA-N 1 0 300.358 3.763 20 10 DHCDRO CC(C)c1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000731847757 1020157665 /nfs/dbraw/zinc/15/76/65/1020157665.db2.gz NPBZJYIKFMFRLR-UHFFFAOYSA-N 1 0 315.417 3.843 20 10 DHCDRO COc1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000731905407 1020170438 /nfs/dbraw/zinc/17/04/38/1020170438.db2.gz FIFXEBNYUAADFT-UHFFFAOYSA-N 1 0 319.408 3.570 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c1 ZINC000922671934 1020202283 /nfs/dbraw/zinc/20/22/83/1020202283.db2.gz JLVWYAZUJTYRDD-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000732182558 1020206289 /nfs/dbraw/zinc/20/62/89/1020206289.db2.gz UEHQXGKQBHKCOC-CYBMUJFWSA-N 1 0 315.413 3.978 20 10 DHCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000732189155 1020206317 /nfs/dbraw/zinc/20/63/17/1020206317.db2.gz POUIYSCUKYQLGO-QGZVFWFLSA-N 1 0 316.489 3.667 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922676492 1020209588 /nfs/dbraw/zinc/20/95/88/1020209588.db2.gz AAWPLTVOHFONRZ-ZFWWWQNUSA-N 1 0 317.351 3.593 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1C ZINC000922695264 1020223565 /nfs/dbraw/zinc/22/35/65/1020223565.db2.gz MVCVGVRIGSVDIX-UKRRQHHQSA-N 1 0 317.351 3.599 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC000922776721 1020259816 /nfs/dbraw/zinc/25/98/16/1020259816.db2.gz WKSRKGLYGAXXNI-QZTJIDSGSA-N 1 0 316.395 3.891 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000858426212 1032888778 /nfs/dbraw/zinc/88/87/78/1032888778.db2.gz NUEDEWOZKYBREE-BXWFABGCSA-N 1 0 304.478 3.539 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)c(O)c1OC ZINC000892430183 1020281576 /nfs/dbraw/zinc/28/15/76/1020281576.db2.gz ADQHFQNJQUCGAK-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000858426215 1032888981 /nfs/dbraw/zinc/88/89/81/1032888981.db2.gz NUEDEWOZKYBREE-TXPKVOOTSA-N 1 0 304.478 3.539 20 10 DHCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000310251152 1020345539 /nfs/dbraw/zinc/34/55/39/1020345539.db2.gz WMISNRNNTGAWLQ-UWJYYQICSA-N 1 0 323.484 3.505 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCc2ccccc21 ZINC000733324013 1020368400 /nfs/dbraw/zinc/36/84/00/1020368400.db2.gz DHYWXHGVYMZYKA-CYBMUJFWSA-N 1 0 316.832 3.586 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(Cl)cc2)cc1F ZINC000733323238 1020369035 /nfs/dbraw/zinc/36/90/35/1020369035.db2.gz RVNARCZADPCLRC-UHFFFAOYSA-N 1 0 322.811 3.714 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cc1F ZINC000733325990 1020371723 /nfs/dbraw/zinc/37/17/23/1020371723.db2.gz BZZSKVJFJWDLKK-UHFFFAOYSA-N 1 0 308.784 3.541 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2Cl)cc1F ZINC000733326274 1020373219 /nfs/dbraw/zinc/37/32/19/1020373219.db2.gz SRZZFZCYPZPZRJ-UHFFFAOYSA-N 1 0 306.812 3.877 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1 ZINC000733331718 1020377209 /nfs/dbraw/zinc/37/72/09/1020377209.db2.gz QSBRJQJTQWTHBK-UHFFFAOYSA-N 1 0 324.453 3.561 20 10 DHCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)o1 ZINC000756408118 1020447547 /nfs/dbraw/zinc/44/75/47/1020447547.db2.gz KBMFSUXPDNKHCE-NSHDSACASA-N 1 0 324.218 3.949 20 10 DHCDRO Cc1[nH]c2ccccc2c1C1=CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858455849 1032902884 /nfs/dbraw/zinc/90/28/84/1032902884.db2.gz XLSPEDAXPDDMKB-UHFFFAOYSA-N 1 0 319.408 3.657 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000766030577 1020493360 /nfs/dbraw/zinc/49/33/60/1020493360.db2.gz UHWHQXLEQHUZMI-QGZVFWFLSA-N 1 0 316.832 3.938 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cccc2cccnc21 ZINC000378887598 1020521474 /nfs/dbraw/zinc/52/14/74/1020521474.db2.gz NAAFMLNBLRLQCD-UHFFFAOYSA-N 1 0 312.800 3.926 20 10 DHCDRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065933713 1020570669 /nfs/dbraw/zinc/57/06/69/1020570669.db2.gz UPCFOEFQOYUUHP-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO CC[N@H+](Cc1ccc(O)c(C)c1O)Cc1cccc(F)c1F ZINC001140747652 1020596858 /nfs/dbraw/zinc/59/68/58/1020596858.db2.gz HSYSNCFFIMYWEO-UHFFFAOYSA-N 1 0 307.340 3.707 20 10 DHCDRO COC1CCC([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000734476015 1020615966 /nfs/dbraw/zinc/61/59/66/1020615966.db2.gz BBXXKLHKUICAFB-UHFFFAOYSA-N 1 0 321.461 3.785 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)c(O)c1 ZINC000734849287 1020670037 /nfs/dbraw/zinc/67/00/37/1020670037.db2.gz AENZKMDRESKCMW-UHFFFAOYSA-N 1 0 306.431 3.581 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]C(C1CCCC1)C1CCCC1)OCO2 ZINC000735508646 1020741689 /nfs/dbraw/zinc/74/16/89/1020741689.db2.gz JFQMLYNIADOMNS-UHFFFAOYSA-N 1 0 317.429 3.960 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(N(C)C)cc1 ZINC000177806052 1020808261 /nfs/dbraw/zinc/80/82/61/1020808261.db2.gz WDKSMQKLQXBYST-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO CCc1cc(C[N@H+](CC)CCC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000738096313 1020860106 /nfs/dbraw/zinc/86/01/06/1020860106.db2.gz IJPUWOREEYOIFE-UHFFFAOYSA-N 1 0 321.461 3.637 20 10 DHCDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766237787 1020898848 /nfs/dbraw/zinc/89/88/48/1020898848.db2.gz NBRKYGHLZSNRDQ-ZIAGYGMSSA-N 1 0 312.404 3.891 20 10 DHCDRO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766237785 1020899350 /nfs/dbraw/zinc/89/93/50/1020899350.db2.gz NBRKYGHLZSNRDQ-UONOGXRCSA-N 1 0 312.404 3.891 20 10 DHCDRO COc1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1C ZINC000065276130 1020907400 /nfs/dbraw/zinc/90/74/00/1020907400.db2.gz WGTCNCAYLDWNLS-UHFFFAOYSA-N 1 0 312.388 3.956 20 10 DHCDRO O=C1C=CC(=NNc2ccc(O[C@@H]3CC[NH2+]C[C@H]3F)cc2)C=C1 ZINC001218068371 1020908794 /nfs/dbraw/zinc/90/87/94/1020908794.db2.gz DXFIOTPPKPPYCN-IAGOWNOFSA-N 1 0 315.348 3.886 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2O)o1 ZINC000741259724 1020996294 /nfs/dbraw/zinc/99/62/94/1020996294.db2.gz AJTHSNCUJKXVRP-LJQANCHMSA-N 1 0 323.392 3.784 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1C ZINC000742367057 1021107569 /nfs/dbraw/zinc/10/75/69/1021107569.db2.gz HOUYYOAKYXTNJL-CQSZACIVSA-N 1 0 317.351 3.552 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCCC2 ZINC000742390658 1021111293 /nfs/dbraw/zinc/11/12/93/1021111293.db2.gz KZKZCCZEOHHSDT-JKSUJKDBSA-N 1 0 309.837 3.873 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000742372594 1021113282 /nfs/dbraw/zinc/11/32/82/1021113282.db2.gz FLTGNMGZUHHCFQ-UHFFFAOYSA-N 1 0 310.441 3.548 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000742377033 1021114673 /nfs/dbraw/zinc/11/46/73/1021114673.db2.gz LUWUZENLRRXUOD-OAHLLOKOSA-N 1 0 319.788 3.668 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c(O)c1OC ZINC000892633722 1021130649 /nfs/dbraw/zinc/13/06/49/1021130649.db2.gz XERCVYHWTNCOBJ-JTQLQIEISA-N 1 0 323.339 3.538 20 10 DHCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000858591676 1032958387 /nfs/dbraw/zinc/95/83/87/1032958387.db2.gz YBFQZQFMKTUWPU-MDZRGWNJSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cc(F)ccc1O ZINC000176983085 1021189760 /nfs/dbraw/zinc/18/97/60/1021189760.db2.gz FZVXJSROUBXLHG-GFCCVEGCSA-N 1 0 301.365 3.700 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1O ZINC000181596072 1021268581 /nfs/dbraw/zinc/26/85/81/1021268581.db2.gz OXWJJSYWLSRLRZ-SECBINFHSA-N 1 0 323.314 3.863 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1C(C)C ZINC000917473488 1021270441 /nfs/dbraw/zinc/27/04/41/1021270441.db2.gz PWYUFVYPDXKFAE-MJGOQNOKSA-N 1 0 303.446 3.967 20 10 DHCDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000069628659 1021275851 /nfs/dbraw/zinc/27/58/51/1021275851.db2.gz BENWVKLCHSWNGF-SWLSCSKDSA-N 1 0 302.393 3.898 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000743402691 1021284185 /nfs/dbraw/zinc/28/41/85/1021284185.db2.gz MIFWJIMBUMZHCX-LJQANCHMSA-N 1 0 320.392 3.514 20 10 DHCDRO CCCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000801599498 1021292549 /nfs/dbraw/zinc/29/25/49/1021292549.db2.gz QDIMNYIPNXZIAX-UHFFFAOYSA-N 1 0 307.434 3.726 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(C#N)c1 ZINC000181773906 1021343844 /nfs/dbraw/zinc/34/38/44/1021343844.db2.gz DHAYHCHTXVDLHA-LBPRGKRZSA-N 1 0 303.456 3.848 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000181774015 1021343702 /nfs/dbraw/zinc/34/37/02/1021343702.db2.gz CDBGNCHKOSYABI-OLZOCXBDSA-N 1 0 312.504 3.563 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154543864 1021371803 /nfs/dbraw/zinc/37/18/03/1021371803.db2.gz WDPYYKZNLNMCHB-LPHOPBHVSA-N 1 0 304.478 3.879 20 10 DHCDRO CC(C)CCOCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917972918 1021411130 /nfs/dbraw/zinc/41/11/30/1021411130.db2.gz HIIBYGPGUVHBMX-UHFFFAOYSA-N 1 0 304.478 3.780 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850112865 1021420480 /nfs/dbraw/zinc/42/04/80/1021420480.db2.gz WMOKGJNNFDBWPN-UHFFFAOYSA-N 1 0 315.413 3.694 20 10 DHCDRO CCCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000918020230 1021427687 /nfs/dbraw/zinc/42/76/87/1021427687.db2.gz ZFOIEFZGQPCHCR-UHFFFAOYSA-N 1 0 304.478 3.925 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCCS2)c(O)c(C(C)(C)C)c1 ZINC000850184682 1021434766 /nfs/dbraw/zinc/43/47/66/1021434766.db2.gz UKCFOCJUTPDZST-CQSZACIVSA-N 1 0 309.475 3.684 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C(C)C)C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000850272910 1021461828 /nfs/dbraw/zinc/46/18/28/1021461828.db2.gz CHPVXTUJYKTSHG-KRWDZBQOSA-N 1 0 323.477 3.583 20 10 DHCDRO COc1cc(C[NH2+]CC2(SC)CC2)c(O)c(C(C)(C)C)c1 ZINC000850281379 1021464460 /nfs/dbraw/zinc/46/44/60/1021464460.db2.gz RTJMWGLNIYPMIB-UHFFFAOYSA-N 1 0 309.475 3.684 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850325805 1021475303 /nfs/dbraw/zinc/47/53/03/1021475303.db2.gz OTLQEUGYEDESID-IHRRRGAJSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850337919 1021479309 /nfs/dbraw/zinc/47/93/09/1021479309.db2.gz ARGWDTFOCYOKIV-ZDUSSCGKSA-N 1 0 321.461 3.603 20 10 DHCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000850344379 1021481109 /nfs/dbraw/zinc/48/11/09/1021481109.db2.gz HCGFYCFNVRUOQA-AWEZNQCLSA-N 1 0 316.832 3.662 20 10 DHCDRO COc1cc(C[NH2+]C[C@@]2(C)CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000850379728 1021498733 /nfs/dbraw/zinc/49/87/33/1021498733.db2.gz WRXCXSNAQYZCBN-MRXNPFEDSA-N 1 0 313.388 3.833 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2cn(C)c3ccccc23)c1O ZINC000850379883 1021499780 /nfs/dbraw/zinc/49/97/80/1021499780.db2.gz HSZSVAXLWAONQO-UHFFFAOYSA-N 1 0 324.424 3.615 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3C(C)(C)C3(F)F)CC2)cc1 ZINC000850394102 1021506003 /nfs/dbraw/zinc/50/60/03/1021506003.db2.gz LTKDKHPDGOOQTE-INIZCTEOSA-N 1 0 324.415 3.545 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2nsc3ccccc23)cc1C ZINC000850401105 1021509513 /nfs/dbraw/zinc/50/95/13/1021509513.db2.gz TVJOSOVKDBHREC-UHFFFAOYSA-N 1 0 312.438 3.951 20 10 DHCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)C1 ZINC000850405909 1021513766 /nfs/dbraw/zinc/51/37/66/1021513766.db2.gz KCGSKJFREICFME-HOTGVXAUSA-N 1 0 316.489 3.562 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1F ZINC000850408652 1021516166 /nfs/dbraw/zinc/51/61/66/1021516166.db2.gz CDWJAGQSEPGQOQ-OAHLLOKOSA-N 1 0 308.441 3.577 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccs3)C2)cc1 ZINC000850486242 1021559445 /nfs/dbraw/zinc/55/94/45/1021559445.db2.gz BDXPIBSMHKANQE-ZIAGYGMSSA-N 1 0 302.443 3.686 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3cccs3)C2)cc1 ZINC000850489631 1021560718 /nfs/dbraw/zinc/56/07/18/1021560718.db2.gz WDZPILASDDCKNF-GJZGRUSLSA-N 1 0 316.470 3.556 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486771 1021561137 /nfs/dbraw/zinc/56/11/37/1021561137.db2.gz JYRMKXYEHHGCIN-HOCLYGCPSA-N 1 0 314.429 3.835 20 10 DHCDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850499920 1021563794 /nfs/dbraw/zinc/56/37/94/1021563794.db2.gz ALNRVIDRIQSOCB-INIZCTEOSA-N 1 0 324.472 3.599 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1cccc(OC)c1 ZINC000850513621 1021569965 /nfs/dbraw/zinc/56/99/65/1021569965.db2.gz HRBZVISILCSSPS-KSSFIOAISA-N 1 0 315.413 3.748 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1cccc(OC)c1 ZINC000850513622 1021570390 /nfs/dbraw/zinc/57/03/90/1021570390.db2.gz HRBZVISILCSSPS-RDTXWAMCSA-N 1 0 315.413 3.748 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850515486 1021572311 /nfs/dbraw/zinc/57/23/11/1021572311.db2.gz LOQLAXAAQGLZNB-GXFFZTMASA-N 1 0 317.351 3.613 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1O ZINC000850525136 1021576484 /nfs/dbraw/zinc/57/64/84/1021576484.db2.gz GVKLUSMOWZXULJ-UDTVLSCZSA-N 1 0 303.789 3.875 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)cc1O ZINC000850525134 1021578304 /nfs/dbraw/zinc/57/83/04/1021578304.db2.gz GVKLUSMOWZXULJ-QXKQMHMISA-N 1 0 303.789 3.875 20 10 DHCDRO CCCSC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728883 1021579089 /nfs/dbraw/zinc/57/90/89/1021579089.db2.gz GKZIMMKZUQQALY-HZPDHXFCSA-N 1 0 322.518 3.706 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1O ZINC000850526433 1021579838 /nfs/dbraw/zinc/57/98/38/1021579838.db2.gz CCGGTSSVOKTVQQ-FGDXXIHYSA-N 1 0 303.789 3.875 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1O ZINC000850526436 1021580197 /nfs/dbraw/zinc/58/01/97/1021580197.db2.gz CCGGTSSVOKTVQQ-UDTVLSCZSA-N 1 0 303.789 3.875 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529813 1021581990 /nfs/dbraw/zinc/58/19/90/1021581990.db2.gz UBKJDGIWLGWYQO-XUVXKRRUSA-N 1 0 310.441 3.972 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(Br)cc1O ZINC000850530940 1021585283 /nfs/dbraw/zinc/58/52/83/1021585283.db2.gz FHWJUORATCMBFD-VIFPVBQESA-N 1 0 304.203 3.944 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536838 1021590751 /nfs/dbraw/zinc/59/07/51/1021590751.db2.gz KHWJOQQWZRXLBN-GDBMZVCRSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1O ZINC000850537872 1021592218 /nfs/dbraw/zinc/59/22/18/1021592218.db2.gz ASYDIFTXLGSBTN-UKRRQHHQSA-N 1 0 306.425 3.589 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538570 1021593344 /nfs/dbraw/zinc/59/33/44/1021593344.db2.gz IBQHCBHLEAAMGO-JKSUJKDBSA-N 1 0 302.462 3.758 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850541729 1021594558 /nfs/dbraw/zinc/59/45/58/1021594558.db2.gz ZJPRMBJYJAXOFI-BPQIPLTHSA-N 1 0 313.445 3.578 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850541731 1021595957 /nfs/dbraw/zinc/59/59/57/1021595957.db2.gz ZJPRMBJYJAXOFI-NJAFHUGGSA-N 1 0 313.445 3.578 20 10 DHCDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567949 1021611177 /nfs/dbraw/zinc/61/11/77/1021611177.db2.gz MOPMEDCGBJZYMR-MRXNPFEDSA-N 1 0 318.505 3.952 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)C2CCCCC2)c1O ZINC000850570278 1021613137 /nfs/dbraw/zinc/61/31/37/1021613137.db2.gz SSSISSBRIDMXLI-GUYCJALGSA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850572500 1021614357 /nfs/dbraw/zinc/61/43/57/1021614357.db2.gz KUGMCZUMHSPECB-VBHSOAQHSA-N 1 0 319.832 3.861 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000850572784 1021614405 /nfs/dbraw/zinc/61/44/05/1021614405.db2.gz GMBYUSXZCHVELQ-BPAFIMBUSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1O ZINC000850573091 1021615860 /nfs/dbraw/zinc/61/58/60/1021615860.db2.gz JFJUWLOJOCZFQG-LXIYXOSZSA-N 1 0 319.832 3.861 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000850583962 1021623992 /nfs/dbraw/zinc/62/39/92/1021623992.db2.gz OZQIXMZDMBWAPY-RYGJVYDSSA-N 1 0 312.457 3.915 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCCCC2)c(F)c1 ZINC000178311344 1021628877 /nfs/dbraw/zinc/62/88/77/1021628877.db2.gz WDBZQMPYPMRUGA-VWMOJTHMSA-N 1 0 318.436 3.787 20 10 DHCDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000776494939 1021658618 /nfs/dbraw/zinc/65/86/18/1021658618.db2.gz RXXTWZCQWYKVNT-IBGZPJMESA-N 1 0 316.489 3.564 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000328128947 1021692656 /nfs/dbraw/zinc/69/26/56/1021692656.db2.gz NOEHZFBWUDISAM-SFHVURJKSA-N 1 0 310.441 3.626 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)CCC2)c1nccs1 ZINC000182844378 1021829572 /nfs/dbraw/zinc/82/95/72/1021829572.db2.gz HAJKWDXEPKLGCZ-LBPRGKRZSA-N 1 0 302.443 3.573 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000746154123 1021879358 /nfs/dbraw/zinc/87/93/58/1021879358.db2.gz YXUNLJJOEHUXLP-IBGZPJMESA-N 1 0 302.462 3.676 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(F)n1 ZINC000851717317 1021971258 /nfs/dbraw/zinc/97/12/58/1021971258.db2.gz WPFZHDLKSMQOMV-UHFFFAOYSA-N 1 0 313.420 3.843 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)n1 ZINC000851731754 1021976508 /nfs/dbraw/zinc/97/65/08/1021976508.db2.gz BJOWYALVWUDSKS-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO CO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CCC1 ZINC000851840374 1022019063 /nfs/dbraw/zinc/01/90/63/1022019063.db2.gz DYKMNPJQBRXTLU-LJQANCHMSA-N 1 0 315.413 3.803 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1cccc(F)c1OC(F)F ZINC000851840887 1022020142 /nfs/dbraw/zinc/02/01/42/1022020142.db2.gz KWCJUCNQHPTCBS-UHFFFAOYSA-N 1 0 311.303 3.765 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000746406000 1022067660 /nfs/dbraw/zinc/06/76/60/1022067660.db2.gz VCWHREQVXNXFLF-UHFFFAOYSA-N 1 0 318.829 3.988 20 10 DHCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766384002 1022084419 /nfs/dbraw/zinc/08/44/19/1022084419.db2.gz VDZKUCNJXYFNOQ-ROUUACIJSA-N 1 0 315.505 3.669 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C1CCOCC1 ZINC000766385763 1022085565 /nfs/dbraw/zinc/08/55/65/1022085565.db2.gz AGTJOMSAPMOPTO-KXBFYZLASA-N 1 0 304.478 3.999 20 10 DHCDRO Cc1ccc(C)n1-c1ccc(N(CC[NH3+])c2cccnc2)cc1 ZINC001168837343 1022148244 /nfs/dbraw/zinc/14/82/44/1022148244.db2.gz ZSIHUYKSYKHCGQ-UHFFFAOYSA-N 1 0 306.413 3.586 20 10 DHCDRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000183537316 1022175694 /nfs/dbraw/zinc/17/56/94/1022175694.db2.gz DBAHMAUQMYRGLX-CQSZACIVSA-N 1 0 307.434 3.945 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000071408310 1022180507 /nfs/dbraw/zinc/18/05/07/1022180507.db2.gz OZQDFRDNCODBMQ-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183587881 1022197392 /nfs/dbraw/zinc/19/73/92/1022197392.db2.gz IDXMZQYBETVGKC-VBHSOAQHSA-N 1 0 303.377 3.694 20 10 DHCDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183633022 1022217685 /nfs/dbraw/zinc/21/76/85/1022217685.db2.gz VEEMCNKRFAMQFF-LSDHHAIUSA-N 1 0 315.413 3.767 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000121333526 1022224728 /nfs/dbraw/zinc/22/47/28/1022224728.db2.gz PEHPJAYLFXGASB-JENIJYKNSA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853241631 1022242633 /nfs/dbraw/zinc/24/26/33/1022242633.db2.gz MCYYLTCRBCMQRR-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)c2c1c(F)ccc2O ZINC000756401708 1022260782 /nfs/dbraw/zinc/26/07/82/1022260782.db2.gz QOUMGBRKGFAJQN-ONGXEEELSA-N 1 0 321.314 3.638 20 10 DHCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000766600109 1022261614 /nfs/dbraw/zinc/26/16/14/1022261614.db2.gz DHYBXKFFXQEUKK-KRWDZBQOSA-N 1 0 309.457 3.965 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586618 1022296043 /nfs/dbraw/zinc/29/60/43/1022296043.db2.gz VCNLZHICIVBWCP-ZFWWWQNUSA-N 1 0 323.392 3.760 20 10 DHCDRO C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756462946 1022402761 /nfs/dbraw/zinc/40/27/61/1022402761.db2.gz ZLNKJLURNPZNLF-NEPJUHHUSA-N 1 0 307.340 3.789 20 10 DHCDRO COCCCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000103225793 1022406388 /nfs/dbraw/zinc/40/63/88/1022406388.db2.gz OYVQWKZHZILMBZ-UHFFFAOYSA-N 1 0 304.478 3.925 20 10 DHCDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000854222383 1022433724 /nfs/dbraw/zinc/43/37/24/1022433724.db2.gz FCVZMLWDENATFF-VIFPVBQESA-N 1 0 303.233 3.621 20 10 DHCDRO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854230474 1022435117 /nfs/dbraw/zinc/43/51/17/1022435117.db2.gz QZNLKIARAPCFDR-JOYOIKCWSA-N 1 0 305.249 3.723 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(F)ccc1O ZINC000185006319 1022448269 /nfs/dbraw/zinc/44/82/69/1022448269.db2.gz OAHFVOVSKNDVOG-CQSZACIVSA-N 1 0 314.404 3.982 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c(O)c1 ZINC000185576340 1022502718 /nfs/dbraw/zinc/50/27/18/1022502718.db2.gz LEDFLZQZNJYCDH-KGLIPLIRSA-N 1 0 303.377 3.958 20 10 DHCDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237718748 1022506974 /nfs/dbraw/zinc/50/69/74/1022506974.db2.gz YSAKGNQMOZDCPX-UHFFFAOYSA-N 1 0 313.397 3.540 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1O ZINC000272842036 1022517901 /nfs/dbraw/zinc/51/79/01/1022517901.db2.gz JVEKPVSEPHHLOL-UWVAXJGDSA-N 1 0 324.468 3.953 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1 ZINC000186183843 1022556822 /nfs/dbraw/zinc/55/68/22/1022556822.db2.gz YAGVSTOOXFUVAJ-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000183935507 1022565826 /nfs/dbraw/zinc/56/58/26/1022565826.db2.gz XYJQFUXSYOTLHF-CQSZACIVSA-N 1 0 305.462 3.984 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000180494129 1022745376 /nfs/dbraw/zinc/74/53/76/1022745376.db2.gz DPCIKNLUFGAFKS-UHFFFAOYSA-N 1 0 307.459 3.653 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000767729319 1022788712 /nfs/dbraw/zinc/78/87/12/1022788712.db2.gz TZMPXHQESXKPIZ-UHFFFAOYSA-N 1 0 302.805 3.609 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCCC2 ZINC000742390486 1022827936 /nfs/dbraw/zinc/82/79/36/1022827936.db2.gz IFOBKCCYXDECHB-ROUUACIJSA-N 1 0 320.452 3.719 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1C ZINC000767928677 1022842864 /nfs/dbraw/zinc/84/28/64/1022842864.db2.gz HQIKQWWAMVARLV-QGZVFWFLSA-N 1 0 303.446 3.975 20 10 DHCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172321779 1033087106 /nfs/dbraw/zinc/08/71/06/1033087106.db2.gz OXTYTKVOBBUTEX-IAGOWNOFSA-N 1 0 304.478 3.970 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(COC)o2)cc1 ZINC000768207855 1022915899 /nfs/dbraw/zinc/91/58/99/1022915899.db2.gz KAKGECLEPVEWEF-UHFFFAOYSA-N 1 0 316.445 3.904 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(OC)CC2)cc1 ZINC000768215484 1022926699 /nfs/dbraw/zinc/92/66/99/1022926699.db2.gz IGOXTCJPYBJXPN-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000768248989 1022934101 /nfs/dbraw/zinc/93/41/01/1022934101.db2.gz NBNDFLNTKVYVQI-MRXNPFEDSA-N 1 0 315.438 3.691 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1F ZINC000768263813 1022935690 /nfs/dbraw/zinc/93/56/90/1022935690.db2.gz WESOGRPWDGLXJK-UHFFFAOYSA-N 1 0 308.347 3.802 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857060432 1022937949 /nfs/dbraw/zinc/93/79/49/1022937949.db2.gz RMJPALMZKKCHNP-JTQLQIEISA-N 1 0 320.177 3.598 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CO ZINC000857061285 1022940855 /nfs/dbraw/zinc/94/08/55/1022940855.db2.gz NNNZKCDVUUCCDL-KXBFYZLASA-N 1 0 311.425 3.510 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1C ZINC000768336857 1022947238 /nfs/dbraw/zinc/94/72/38/1022947238.db2.gz ZFPJPDVXLOCHSA-UHFFFAOYSA-N 1 0 324.468 3.854 20 10 DHCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768334420 1022948001 /nfs/dbraw/zinc/94/80/01/1022948001.db2.gz JKVZLHDYMOTILJ-UHFFFAOYSA-N 1 0 324.468 3.854 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c(O)cc1C ZINC000768438255 1022965374 /nfs/dbraw/zinc/96/53/74/1022965374.db2.gz QOYUCVTWVYUYOW-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1cc(C[NH2+]C2(c3nccs3)CCCC2)c(O)cc1C ZINC000768466247 1022972199 /nfs/dbraw/zinc/97/21/99/1022972199.db2.gz WOIBQGNHKWKIDF-UHFFFAOYSA-N 1 0 318.442 3.725 20 10 DHCDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876580056 1033094780 /nfs/dbraw/zinc/09/47/80/1033094780.db2.gz QDKBIRLKBCGYJD-IBGZPJMESA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@H](F)C2)c1 ZINC001236664106 1023033662 /nfs/dbraw/zinc/03/36/62/1023033662.db2.gz SILYQMJQFBRSAY-LBPRGKRZSA-N 1 0 316.214 3.787 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000768919065 1023055905 /nfs/dbraw/zinc/05/59/05/1023055905.db2.gz PDGQMODEWOICJI-GOSISDBHSA-N 1 0 321.424 3.924 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)oc3C)CC2)cc1 ZINC000768997958 1023075121 /nfs/dbraw/zinc/07/51/21/1023075121.db2.gz JFIKJKYTKSJSOW-UHFFFAOYSA-N 1 0 314.429 3.617 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1O ZINC000769319116 1023120522 /nfs/dbraw/zinc/12/05/22/1023120522.db2.gz PZKTVFASHJAVKY-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1O ZINC000769319115 1023120905 /nfs/dbraw/zinc/12/09/05/1023120905.db2.gz PZKTVFASHJAVKY-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000769390305 1023139291 /nfs/dbraw/zinc/13/92/91/1023139291.db2.gz UOGNKVQMGAQEMW-GFCCVEGCSA-N 1 0 305.805 3.814 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000769390348 1023140000 /nfs/dbraw/zinc/14/00/00/1023140000.db2.gz VJKVITPRKZHWIW-AWEZNQCLSA-N 1 0 315.413 3.560 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000769388801 1023140065 /nfs/dbraw/zinc/14/00/65/1023140065.db2.gz HVBDZSRJDSXZLQ-LLVKDONJSA-N 1 0 322.202 3.737 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H](SCC)C2)c(O)c1 ZINC000769403957 1023141134 /nfs/dbraw/zinc/14/11/34/1023141134.db2.gz LBJFMVIHNRFKTN-INIZCTEOSA-N 1 0 309.475 3.899 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000769403922 1023141614 /nfs/dbraw/zinc/14/16/14/1023141614.db2.gz KBWWJGICMXVNCG-AWEZNQCLSA-N 1 0 318.442 3.675 20 10 DHCDRO CC1(C)CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769447244 1023154429 /nfs/dbraw/zinc/15/44/29/1023154429.db2.gz XPNZFJLDCKTOJR-UHFFFAOYSA-N 1 0 303.406 3.569 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464788 1023159125 /nfs/dbraw/zinc/15/91/25/1023159125.db2.gz ANVMVIRFNUYCII-UKRRQHHQSA-N 1 0 315.388 3.918 20 10 DHCDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c(O)cccc2OC)s1 ZINC000769471976 1023162962 /nfs/dbraw/zinc/16/29/62/1023162962.db2.gz ZOFOKPIBBBGYFK-LBPRGKRZSA-N 1 0 320.458 3.921 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1F ZINC000769538082 1023176175 /nfs/dbraw/zinc/17/61/75/1023176175.db2.gz RGGFTNWLOGNVJF-LJQANCHMSA-N 1 0 315.436 3.957 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCSCC(F)(F)F)cc1 ZINC000769692899 1023195784 /nfs/dbraw/zinc/19/57/84/1023195784.db2.gz WOWGGOCSPHGTHC-UHFFFAOYSA-N 1 0 320.424 3.918 20 10 DHCDRO CCCN(Cc1cc(OCC)ccc1O)c1ccc(C[NH3+])cc1 ZINC000194977889 1023202152 /nfs/dbraw/zinc/20/21/52/1023202152.db2.gz FMZVSDGVZBKHTP-UHFFFAOYSA-N 1 0 314.429 3.666 20 10 DHCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000756626340 1023234581 /nfs/dbraw/zinc/23/45/81/1023234581.db2.gz NUKUPKBRBQNBPS-IIAWOOMASA-N 1 0 301.430 3.993 20 10 DHCDRO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)c2ccc(F)cc21 ZINC000769935145 1023250949 /nfs/dbraw/zinc/25/09/49/1023250949.db2.gz AJGWBFJLFZMNEZ-UHFFFAOYSA-N 1 0 324.399 3.585 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285998 1023291366 /nfs/dbraw/zinc/29/13/66/1023291366.db2.gz NLTRIMPAFZFVSY-AZUAARDMSA-N 1 0 314.473 3.678 20 10 DHCDRO CC[NH+](CC)CCN(Cc1ccccc1)Cc1ccccc1O ZINC000770510608 1023316307 /nfs/dbraw/zinc/31/63/07/1023316307.db2.gz OGALCZXAJVTUJS-UHFFFAOYSA-N 1 0 312.457 3.736 20 10 DHCDRO Oc1ccc(CCC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000770509576 1023316833 /nfs/dbraw/zinc/31/68/33/1023316833.db2.gz OZFZNILLJKFVKC-UHFFFAOYSA-N 1 0 311.425 3.943 20 10 DHCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000770746179 1023347757 /nfs/dbraw/zinc/34/77/57/1023347757.db2.gz LHNOHGGZCPILLY-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000092969798 1023358551 /nfs/dbraw/zinc/35/85/51/1023358551.db2.gz GNRMOWFARCAIAO-OAHLLOKOSA-N 1 0 311.425 3.652 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000691488958 1023423610 /nfs/dbraw/zinc/42/36/10/1023423610.db2.gz PBZNWWRISJYITH-UHFFFAOYSA-N 1 0 320.177 3.822 20 10 DHCDRO CSc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000772469026 1023558142 /nfs/dbraw/zinc/55/81/42/1023558142.db2.gz GDHAHPZMOKWEPE-ZDUSSCGKSA-N 1 0 301.459 3.720 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000772471322 1023558639 /nfs/dbraw/zinc/55/86/39/1023558639.db2.gz GGFXJZMLAYZDSO-WDSOQIARSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000876770204 1033141756 /nfs/dbraw/zinc/14/17/56/1033141756.db2.gz KAUUVSCGLDJAHR-GOSISDBHSA-N 1 0 311.425 3.739 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795598 1033144388 /nfs/dbraw/zinc/14/43/88/1033144388.db2.gz ROEFLMMHCZHDEU-RCDICMHDSA-N 1 0 317.454 3.631 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCCC2)cc1 ZINC000164415000 1023645093 /nfs/dbraw/zinc/64/50/93/1023645093.db2.gz SFNILGWPEYFTOL-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000785989653 1023649161 /nfs/dbraw/zinc/64/91/61/1023649161.db2.gz WTTBIXSDUYDOLG-IFXJQAMLSA-N 1 0 316.420 3.621 20 10 DHCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCSc1nccs1 ZINC000786829169 1023727079 /nfs/dbraw/zinc/72/70/79/1023727079.db2.gz JSDAUZYVGYPAIB-ZFWWWQNUSA-N 1 0 322.499 3.991 20 10 DHCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000786821884 1023730621 /nfs/dbraw/zinc/73/06/21/1023730621.db2.gz SWLOQXJIQXQKFG-IERDGZPVSA-N 1 0 324.468 3.935 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764013 1023742816 /nfs/dbraw/zinc/74/28/16/1023742816.db2.gz CUWNANCVOZWLBJ-YPMHNXCESA-N 1 0 311.372 3.813 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCSC1 ZINC000787039455 1023751115 /nfs/dbraw/zinc/75/11/15/1023751115.db2.gz JDNNUMKRVKVKPF-QGZVFWFLSA-N 1 0 304.503 3.862 20 10 DHCDRO CCC1(CO)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093591544 1023787729 /nfs/dbraw/zinc/78/77/29/1023787729.db2.gz UPAYBMLUMNPRAZ-UHFFFAOYSA-N 1 0 316.489 3.661 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)cc1 ZINC000788550482 1023904027 /nfs/dbraw/zinc/90/40/27/1023904027.db2.gz ZFAVNKJPDYNDHE-IBGZPJMESA-N 1 0 314.477 3.544 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000788532171 1023907274 /nfs/dbraw/zinc/90/72/74/1023907274.db2.gz MZAUIDNNWQOZEE-QGZVFWFLSA-N 1 0 310.441 3.707 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000788574770 1023908903 /nfs/dbraw/zinc/90/89/03/1023908903.db2.gz ALUQFSYYRVIXHW-OKILXGFUSA-N 1 0 320.452 3.718 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(O)c1 ZINC000788600392 1023911450 /nfs/dbraw/zinc/91/14/50/1023911450.db2.gz CKOVLRCEBYMJEH-WMZOPIPTSA-N 1 0 313.441 3.826 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2O ZINC000788606071 1023912928 /nfs/dbraw/zinc/91/29/28/1023912928.db2.gz VBSMVQYXBGYTGR-JSGCOSHPSA-N 1 0 319.420 3.612 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c(O)c1 ZINC000788815693 1023939809 /nfs/dbraw/zinc/93/98/09/1023939809.db2.gz PQWUOGJLHSJGEO-WBVHZDCISA-N 1 0 305.462 3.848 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(O)cccc2OC)c(C)c1 ZINC000788969136 1023955505 /nfs/dbraw/zinc/95/55/05/1023955505.db2.gz HJQPMZDTEVIKRF-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000876885219 1033175427 /nfs/dbraw/zinc/17/54/27/1033175427.db2.gz NLKPETDHSMICQQ-INIZCTEOSA-N 1 0 316.470 3.689 20 10 DHCDRO C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)O1 ZINC000789306485 1024042761 /nfs/dbraw/zinc/04/27/61/1024042761.db2.gz OYADKLYAJXCICS-QFBILLFUSA-N 1 0 302.462 3.676 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000129691990 1024058622 /nfs/dbraw/zinc/05/86/22/1024058622.db2.gz RLRKXCPCAQIDFI-UHFFFAOYSA-N 1 0 304.478 3.781 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1OC(F)F ZINC000876916511 1033184906 /nfs/dbraw/zinc/18/49/06/1033184906.db2.gz BYTAFXWMROEDRR-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2c(O)ccc3ccccc32)s1 ZINC000165199231 1024087183 /nfs/dbraw/zinc/08/71/83/1024087183.db2.gz RHZRTPVZKXCEKJ-UHFFFAOYSA-N 1 0 312.438 3.985 20 10 DHCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905962 1033181517 /nfs/dbraw/zinc/18/15/17/1033181517.db2.gz NRYMJALFKQVNSO-SPLOXXLWSA-N 1 0 312.394 3.565 20 10 DHCDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876937354 1033186320 /nfs/dbraw/zinc/18/63/20/1033186320.db2.gz UXTGXTOPKLNPOI-UHFFFAOYSA-N 1 0 312.413 3.729 20 10 DHCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789568473 1024117975 /nfs/dbraw/zinc/11/79/75/1024117975.db2.gz XAHHUWFNKWFIMH-HXUWFJFHSA-N 1 0 311.425 3.796 20 10 DHCDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000789586290 1024120701 /nfs/dbraw/zinc/12/07/01/1024120701.db2.gz JZQMQCXJIQCQAF-OWCLPIDISA-N 1 0 320.452 3.529 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1 ZINC000130472514 1024170130 /nfs/dbraw/zinc/17/01/30/1024170130.db2.gz AVYDFEYZKUSLDA-QAPCUYQASA-N 1 0 316.445 3.728 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(Br)cc1O ZINC000756852103 1024176049 /nfs/dbraw/zinc/17/60/49/1024176049.db2.gz XNWDSYNVTLMLFR-WPRPVWTQSA-N 1 0 320.177 3.993 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCCCC2)cc1 ZINC000268881657 1024187436 /nfs/dbraw/zinc/18/74/36/1024187436.db2.gz AXQDOKFMGLMLRB-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000268929004 1024199469 /nfs/dbraw/zinc/19/94/69/1024199469.db2.gz SHMGIIQSJJNNIA-OAHLLOKOSA-N 1 0 308.429 3.560 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000130692656 1024204307 /nfs/dbraw/zinc/20/43/07/1024204307.db2.gz OHGXBOZEBFNUPW-VQTJNVASSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)COC2 ZINC000268995729 1024216519 /nfs/dbraw/zinc/21/65/19/1024216519.db2.gz KKGZGTDJRDRGSS-HNNXBMFYSA-N 1 0 322.452 3.950 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)c(O)c1 ZINC000876964616 1033195526 /nfs/dbraw/zinc/19/55/26/1033195526.db2.gz LBUZCLNALCSSNO-HNNXBMFYSA-N 1 0 303.789 3.967 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1 ZINC000876978639 1033197067 /nfs/dbraw/zinc/19/70/67/1033197067.db2.gz MQJPCJQGZWRIJD-RTBURBONSA-N 1 0 315.388 3.850 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1C(C)C ZINC000131066953 1024254770 /nfs/dbraw/zinc/25/47/70/1024254770.db2.gz SGCQIFFZNDCNQC-WMZOPIPTSA-N 1 0 321.486 3.530 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790416246 1024298253 /nfs/dbraw/zinc/29/82/53/1024298253.db2.gz OSCKWQUITHEBMF-INIZCTEOSA-N 1 0 321.461 3.642 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccns1)c1cc2c(cc1O)CCCC2 ZINC000883247800 1024318676 /nfs/dbraw/zinc/31/86/76/1024318676.db2.gz WZRGFTOERPSJRF-GFCCVEGCSA-N 1 0 302.443 3.621 20 10 DHCDRO COC1(C[NH2+]CCCSc2nccs2)CCCCC1 ZINC000790968148 1024409183 /nfs/dbraw/zinc/40/91/83/1024409183.db2.gz QJHRXCUTNVIDDK-UHFFFAOYSA-N 1 0 300.493 3.564 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000877023580 1033209176 /nfs/dbraw/zinc/20/91/76/1033209176.db2.gz WVBLAFSCOUQHMN-UHFFFAOYSA-N 1 0 307.340 3.634 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383036 1024415892 /nfs/dbraw/zinc/41/58/92/1024415892.db2.gz RSHUWMYFPQDVIF-PKOBYXMFSA-N 1 0 315.388 3.906 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000790972048 1024420240 /nfs/dbraw/zinc/42/02/40/1024420240.db2.gz FCERATQPZHJNFP-ZIAGYGMSSA-N 1 0 313.800 3.622 20 10 DHCDRO C[NH+](C)CCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000790983766 1024425358 /nfs/dbraw/zinc/42/53/58/1024425358.db2.gz PXGWWBOXYBSKRF-UHFFFAOYSA-N 1 0 322.811 3.901 20 10 DHCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000132282702 1024466945 /nfs/dbraw/zinc/46/69/45/1024466945.db2.gz IVNATTACSCHQJG-NSHDSACASA-N 1 0 323.443 3.884 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)ccc1OC ZINC000271511066 1024527293 /nfs/dbraw/zinc/52/72/93/1024527293.db2.gz LUECYRXKODXXTJ-HKUYNNGSSA-N 1 0 321.461 3.525 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)c(O)c1 ZINC000877067407 1033225791 /nfs/dbraw/zinc/22/57/91/1033225791.db2.gz DFIHIHNHAYAOOI-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOc2ccccc21 ZINC000897386383 1024684018 /nfs/dbraw/zinc/68/40/18/1024684018.db2.gz VTPUVPQAAPFTFF-KRWDZBQOSA-N 1 0 321.779 3.972 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1SC ZINC000109769770 1024696120 /nfs/dbraw/zinc/69/61/20/1024696120.db2.gz KJWVWTLWDZGBGK-UHFFFAOYSA-N 1 0 303.427 3.755 20 10 DHCDRO CCc1cc(C[N@@H+]2CCCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000772822310 1024812760 /nfs/dbraw/zinc/81/27/60/1024812760.db2.gz PFYOJNMXEVQLHJ-CQSZACIVSA-N 1 0 305.462 3.863 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCOC(C)(C)C)c(C(F)(F)F)c1 ZINC000792947440 1024853311 /nfs/dbraw/zinc/85/33/11/1024853311.db2.gz YNHUUSMNOYNMFM-UHFFFAOYSA-N 1 0 318.383 3.676 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000793013647 1024862874 /nfs/dbraw/zinc/86/28/74/1024862874.db2.gz XNCAXZHGHFKNSQ-GFCCVEGCSA-N 1 0 318.408 3.757 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1O ZINC000927011129 1033242321 /nfs/dbraw/zinc/24/23/21/1033242321.db2.gz OMRBINMWBQVAFN-KBPBESRZSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1cc(O)c(C[N@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000825935372 1033245562 /nfs/dbraw/zinc/24/55/62/1033245562.db2.gz RUBJQXGQXOJOQM-UHFFFAOYSA-N 1 0 302.805 3.914 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000793355279 1024998653 /nfs/dbraw/zinc/99/86/53/1024998653.db2.gz BWAIZSSQLMGSER-MRXNPFEDSA-N 1 0 320.452 3.673 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCc3ccccc32)c(O)c1 ZINC000320167178 1025015724 /nfs/dbraw/zinc/01/57/24/1025015724.db2.gz LZYBEBGVEBPYAQ-INIZCTEOSA-N 1 0 310.441 3.804 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000793347700 1025017788 /nfs/dbraw/zinc/01/77/88/1025017788.db2.gz WPGQEEBNBBSHJM-CVEARBPZSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000793352754 1025022462 /nfs/dbraw/zinc/02/24/62/1025022462.db2.gz NLFXGNJMQGNUHN-RHSMWYFYSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)c(O)c1 ZINC000793387497 1025030015 /nfs/dbraw/zinc/03/00/15/1025030015.db2.gz FQNCXCKRFCYHMI-ZDUSSCGKSA-N 1 0 303.377 3.651 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000793576051 1025113198 /nfs/dbraw/zinc/11/31/98/1025113198.db2.gz XEPDYRQWNGXHDO-HNNXBMFYSA-N 1 0 322.456 3.912 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000793619083 1025132628 /nfs/dbraw/zinc/13/26/28/1025132628.db2.gz DLYMDKUISCIOTF-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)CCCC2 ZINC000793742610 1025159253 /nfs/dbraw/zinc/15/92/53/1025159253.db2.gz BXLDYUBPXZMVQY-LJQANCHMSA-N 1 0 315.457 3.520 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793745818 1025160467 /nfs/dbraw/zinc/16/04/67/1025160467.db2.gz TZRUDCMJCDJQBJ-KRWDZBQOSA-N 1 0 311.425 3.794 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2cnc(C)cn2)cc1 ZINC000794257967 1025242598 /nfs/dbraw/zinc/24/25/98/1025242598.db2.gz PKBGEYCKDBISJA-INIZCTEOSA-N 1 0 312.461 3.824 20 10 DHCDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC001168240613 1025370727 /nfs/dbraw/zinc/37/07/27/1025370727.db2.gz BDBSWIVUHBLCSP-KBXCAEBGSA-N 1 0 310.441 3.579 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000237000562 1025432438 /nfs/dbraw/zinc/43/24/38/1025432438.db2.gz ICNIOYNCKUNFCY-GOSISDBHSA-N 1 0 304.478 3.829 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCCC2 ZINC000236891540 1025448526 /nfs/dbraw/zinc/44/85/26/1025448526.db2.gz QIYKNGAEJWHXEZ-ZWKOTPCHSA-N 1 0 319.445 3.618 20 10 DHCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCOC2(CCC2)C1 ZINC000886342820 1025596910 /nfs/dbraw/zinc/59/69/10/1025596910.db2.gz KIRNUDLPFLYPFQ-INIZCTEOSA-N 1 0 309.837 3.875 20 10 DHCDRO COc1cccc(C[NH2+]C(C)(C)c2ccc(F)cc2F)c1O ZINC000886350467 1025599875 /nfs/dbraw/zinc/59/98/75/1025599875.db2.gz VQUMLKOYRKRSHM-UHFFFAOYSA-N 1 0 307.340 3.704 20 10 DHCDRO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000321801226 1025660683 /nfs/dbraw/zinc/66/06/83/1025660683.db2.gz UELHDUFJVFXOJI-ZWKOTPCHSA-N 1 0 316.489 3.829 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cc2c(cc1O)CCCC2 ZINC000886684254 1025785657 /nfs/dbraw/zinc/78/56/57/1025785657.db2.gz IIHFHGSZMVTOCE-LBPRGKRZSA-N 1 0 312.413 3.987 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000806180966 1025835042 /nfs/dbraw/zinc/83/50/42/1025835042.db2.gz UNHISIHBSRWCCA-HIFRSBDPSA-N 1 0 319.832 3.781 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000886774848 1025895587 /nfs/dbraw/zinc/89/55/87/1025895587.db2.gz WSIMFKUSURUFQP-DYVFJYSZSA-N 1 0 307.409 3.921 20 10 DHCDRO COc1cc(C)cc(CNc2cc(C[NH+](C)C)ccc2C)c1O ZINC000894130995 1026090481 /nfs/dbraw/zinc/09/04/81/1026090481.db2.gz KVOPQKOYIMCKPJ-UHFFFAOYSA-N 1 0 314.429 3.691 20 10 DHCDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cnn1C ZINC000090887915 1026090886 /nfs/dbraw/zinc/09/08/86/1026090886.db2.gz OGICQWSZSDWYKV-HNNXBMFYSA-N 1 0 312.461 3.570 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000093684201 1026124779 /nfs/dbraw/zinc/12/47/79/1026124779.db2.gz YZDZBFFOOBNCIE-SFHVURJKSA-N 1 0 311.425 3.739 20 10 DHCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1C(C)C ZINC000808191518 1026225162 /nfs/dbraw/zinc/22/51/62/1026225162.db2.gz MSIJMAXQWMIBTI-QFBILLFUSA-N 1 0 316.489 3.883 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000289958031 1026252487 /nfs/dbraw/zinc/25/24/87/1026252487.db2.gz WOKNZJVPSFCEBI-KRWDZBQOSA-N 1 0 318.486 3.664 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000808431815 1026301604 /nfs/dbraw/zinc/30/16/04/1026301604.db2.gz ZSLWTORYFGDTNJ-MRXNPFEDSA-N 1 0 319.832 3.528 20 10 DHCDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000279970218 1026331967 /nfs/dbraw/zinc/33/19/67/1026331967.db2.gz CYYYLOWUZZAGEP-MRXNPFEDSA-N 1 0 310.441 3.959 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808691755 1026349711 /nfs/dbraw/zinc/34/97/11/1026349711.db2.gz NOMVWYGIKQZCIT-WCQYABFASA-N 1 0 321.852 3.846 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1O ZINC000808675251 1026353758 /nfs/dbraw/zinc/35/37/58/1026353758.db2.gz ARHUERLQMUXPOR-GFCCVEGCSA-N 1 0 319.836 3.666 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000808675752 1026354690 /nfs/dbraw/zinc/35/46/90/1026354690.db2.gz RDVGSYNQEAWBBP-KGLIPLIRSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000808715633 1026363453 /nfs/dbraw/zinc/36/34/53/1026363453.db2.gz WSCQGVMUQIIVAQ-HZUKXOBISA-N 1 0 309.837 3.962 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1O ZINC000808726393 1026370491 /nfs/dbraw/zinc/37/04/91/1026370491.db2.gz ANSCRZZLULXYNT-NEPJUHHUSA-N 1 0 303.789 3.872 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1O ZINC000808726395 1026371380 /nfs/dbraw/zinc/37/13/80/1026371380.db2.gz ANSCRZZLULXYNT-RYUDHWBXSA-N 1 0 303.789 3.872 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000808728627 1026371611 /nfs/dbraw/zinc/37/16/11/1026371611.db2.gz SVXXMYAQLGGLEC-WBVHZDCISA-N 1 0 310.441 3.970 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)c1O ZINC000808701413 1026375402 /nfs/dbraw/zinc/37/54/02/1026375402.db2.gz XEXFWSIJZDMKIE-XGWLTEMNSA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CSCCS2)c1O ZINC000808702260 1026375945 /nfs/dbraw/zinc/37/59/45/1026375945.db2.gz URDAVAWXYLCULP-PWSUYJOCSA-N 1 0 317.907 3.853 20 10 DHCDRO CCCC[N@H+](Cc1cncc(OC)c1)Cc1ccccc1O ZINC000808757307 1026379469 /nfs/dbraw/zinc/37/94/69/1026379469.db2.gz JAXIEVYAARFSKQ-UHFFFAOYSA-N 1 0 300.402 3.598 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC000808729995 1026381261 /nfs/dbraw/zinc/38/12/61/1026381261.db2.gz RCXRWPIJQXPMDH-DYVFJYSZSA-N 1 0 314.404 3.546 20 10 DHCDRO Cc1cccc2c(CC[NH2+]Cc3ccc(N(C)C)cc3)c[nH]c21 ZINC000237124200 1026531441 /nfs/dbraw/zinc/53/14/41/1026531441.db2.gz DVDJXCUQRQIKQN-UHFFFAOYSA-N 1 0 307.441 3.875 20 10 DHCDRO CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(C)cc1O ZINC000280054394 1026584471 /nfs/dbraw/zinc/58/44/71/1026584471.db2.gz JVOFBTLIXBPFHH-KRWDZBQOSA-N 1 0 301.434 3.645 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280089885 1026586873 /nfs/dbraw/zinc/58/68/73/1026586873.db2.gz MHRIICNWWDHAIA-AEFFLSMTSA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700477 1026588072 /nfs/dbraw/zinc/58/80/72/1026588072.db2.gz HJLOGJGLSBXILM-FZMZJTMJSA-N 1 0 315.816 3.700 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC=C(c3ccco3)C2)c1O ZINC000809688567 1026593246 /nfs/dbraw/zinc/59/32/46/1026593246.db2.gz MGTWEOZSDVYLGJ-UHFFFAOYSA-N 1 0 319.788 3.937 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000809724585 1026604312 /nfs/dbraw/zinc/60/43/12/1026604312.db2.gz QJSQAQMGIPDYHX-YLJYHZDGSA-N 1 0 315.505 3.591 20 10 DHCDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809767535 1026606251 /nfs/dbraw/zinc/60/62/51/1026606251.db2.gz NLQVGMQQRKHZIK-IBGZPJMESA-N 1 0 313.441 3.898 20 10 DHCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cc(Cl)ccc2O)o1 ZINC000809736081 1026609672 /nfs/dbraw/zinc/60/96/72/1026609672.db2.gz ZROJFXCCXKQELV-UHFFFAOYSA-N 1 0 322.836 3.511 20 10 DHCDRO COc1cccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)c1O ZINC000809740021 1026611507 /nfs/dbraw/zinc/61/15/07/1026611507.db2.gz YCTOJBSOHTWUGK-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc3nc(C)sc3c2)c1O ZINC000809739574 1026611637 /nfs/dbraw/zinc/61/16/37/1026611637.db2.gz ORRMTHRDVZTVIO-UHFFFAOYSA-N 1 0 314.410 3.609 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2SC)c1O ZINC000809740235 1026611692 /nfs/dbraw/zinc/61/16/92/1026611692.db2.gz QMRNUYGNHFAVJA-ZDUSSCGKSA-N 1 0 317.454 3.844 20 10 DHCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000809747649 1026612523 /nfs/dbraw/zinc/61/25/23/1026612523.db2.gz DQKOHHIFWNPZRW-OAQYLSRUSA-N 1 0 324.468 3.890 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)[C@H](C)CO)cc1 ZINC000809746161 1026613154 /nfs/dbraw/zinc/61/31/54/1026613154.db2.gz RIRZHEJZSXSOTA-QGZVFWFLSA-N 1 0 312.457 3.526 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809755765 1026617664 /nfs/dbraw/zinc/61/76/64/1026617664.db2.gz BVZFXCURXCSMAP-MRXNPFEDSA-N 1 0 317.408 3.989 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000809758143 1026617889 /nfs/dbraw/zinc/61/78/89/1026617889.db2.gz DTTADWBHXQZOKO-LSDHHAIUSA-N 1 0 323.864 3.993 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758641 1026618258 /nfs/dbraw/zinc/61/82/58/1026618258.db2.gz SBVIQPCGXQSESQ-ZIAGYGMSSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809780525 1026622531 /nfs/dbraw/zinc/62/25/31/1026622531.db2.gz AQCPBSMXBVHJEU-QGZVFWFLSA-N 1 0 315.413 3.993 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788471 1026627311 /nfs/dbraw/zinc/62/73/11/1026627311.db2.gz RNXPUTYVLZVKBL-MEDUHNTESA-N 1 0 303.789 3.966 20 10 DHCDRO COc1cccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)c1O ZINC000280273994 1026627868 /nfs/dbraw/zinc/62/78/68/1026627868.db2.gz MWEGJNTXHHSXLI-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C)cc1O ZINC000280276106 1026631021 /nfs/dbraw/zinc/63/10/21/1026631021.db2.gz YDUZBDOISCCHTK-UWWQBHOKSA-N 1 0 321.486 3.796 20 10 DHCDRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000810133780 1026685639 /nfs/dbraw/zinc/68/56/39/1026685639.db2.gz LUUAJQSTIQGDNC-QFBILLFUSA-N 1 0 314.473 3.605 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217594 1026709079 /nfs/dbraw/zinc/70/90/79/1026709079.db2.gz HYNOGSQZHFBKLX-UKRRQHHQSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218477 1026709779 /nfs/dbraw/zinc/70/97/79/1026709779.db2.gz UMCLMPHHYORMEE-HIFRSBDPSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216547 1026710376 /nfs/dbraw/zinc/71/03/76/1026710376.db2.gz KMPPOQHCZNZMMW-CQSZACIVSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810222395 1026711825 /nfs/dbraw/zinc/71/18/25/1026711825.db2.gz RZTWLXUSCSHVAM-RISCZKNCSA-N 1 0 319.367 3.860 20 10 DHCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810261836 1026720887 /nfs/dbraw/zinc/72/08/87/1026720887.db2.gz KSCKOWYKBGVYQH-GUTXKFCHSA-N 1 0 308.441 3.790 20 10 DHCDRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000810261337 1026722765 /nfs/dbraw/zinc/72/27/65/1026722765.db2.gz VDBURXGIOLZFKF-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO CC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237076 1026723852 /nfs/dbraw/zinc/72/38/52/1026723852.db2.gz DWFZSVAQBDOXGE-ZWNOBZJWSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+]CC1(CCO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810237987 1026725608 /nfs/dbraw/zinc/72/56/08/1026725608.db2.gz HCBSAXUJSBOQLJ-ZDUSSCGKSA-N 1 0 317.351 3.614 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810236785 1026725659 /nfs/dbraw/zinc/72/56/59/1026725659.db2.gz NIHNBIVGYWQBPE-CYBMUJFWSA-N 1 0 317.351 3.614 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810238389 1026725916 /nfs/dbraw/zinc/72/59/16/1026725916.db2.gz ZUNLZJVVAXONPS-SMDDNHRTSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810238588 1026726126 /nfs/dbraw/zinc/72/61/26/1026726126.db2.gz LAYAMDUJPKWYGI-KWBADKCTSA-N 1 0 305.340 3.875 20 10 DHCDRO CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810241881 1026727306 /nfs/dbraw/zinc/72/73/06/1026727306.db2.gz ZXBBWOKCTKMWMZ-ZDUSSCGKSA-N 1 0 317.351 3.757 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)c(O)c1 ZINC000811498626 1027013381 /nfs/dbraw/zinc/01/33/81/1027013381.db2.gz AFANPRFCLAQUIQ-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC1(F)F ZINC000811512059 1027026755 /nfs/dbraw/zinc/02/67/55/1027026755.db2.gz DCWABOLGDCLZLF-SECBINFHSA-N 1 0 320.177 3.632 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1O ZINC000271752314 1027136517 /nfs/dbraw/zinc/13/65/17/1027136517.db2.gz XYELBBFQPKAYRE-AWEZNQCLSA-N 1 0 316.357 3.550 20 10 DHCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000271791303 1027145764 /nfs/dbraw/zinc/14/57/64/1027145764.db2.gz GRDJWGLIEXUFKY-IFXJQAMLSA-N 1 0 315.413 3.575 20 10 DHCDRO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1C ZINC000156841320 1027175449 /nfs/dbraw/zinc/17/54/49/1027175449.db2.gz DPSFJALMDWJIOR-UHFFFAOYSA-N 1 0 314.477 3.608 20 10 DHCDRO CC(=O)OC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000156857575 1027180645 /nfs/dbraw/zinc/18/06/45/1027180645.db2.gz MMFAAEXREVDPQT-UHFFFAOYSA-N 1 0 319.445 3.526 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C(C)C)[C@@H]3CCOC3)c2c1 ZINC000812290676 1027236591 /nfs/dbraw/zinc/23/65/91/1027236591.db2.gz FOMVPJDSQOGDDF-OAHLLOKOSA-N 1 0 315.413 3.553 20 10 DHCDRO Cc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000812293760 1027248597 /nfs/dbraw/zinc/24/85/97/1027248597.db2.gz XSQHTBYJAHNGHR-INIZCTEOSA-N 1 0 305.462 3.997 20 10 DHCDRO Oc1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000812717263 1027373013 /nfs/dbraw/zinc/37/30/13/1027373013.db2.gz YUNOIOGBXDIFCF-HNNXBMFYSA-N 1 0 320.483 3.998 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(OC)C2CC2)cc1F ZINC000812773147 1027401603 /nfs/dbraw/zinc/40/16/03/1027401603.db2.gz YOTDGCWEJICNEU-SFHVURJKSA-N 1 0 308.441 3.577 20 10 DHCDRO CCOc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1O ZINC000812790020 1027408452 /nfs/dbraw/zinc/40/84/52/1027408452.db2.gz IFYCHOBKKLIHFZ-UHFFFAOYSA-N 1 0 301.361 3.529 20 10 DHCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)OC ZINC000812808495 1027430343 /nfs/dbraw/zinc/43/03/43/1027430343.db2.gz FSMOEIPSOWMNAO-GFCCVEGCSA-N 1 0 318.383 3.628 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000812831715 1027434358 /nfs/dbraw/zinc/43/43/58/1027434358.db2.gz YJPIEPJGJRAKJF-ZLGUVYLKSA-N 1 0 322.452 3.730 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000295861462 1027463165 /nfs/dbraw/zinc/46/31/65/1027463165.db2.gz BNCKJDQASDVIPG-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)Cc2ccco2)ccc1OC ZINC000747854598 1027626793 /nfs/dbraw/zinc/62/67/93/1027626793.db2.gz QUECHONHCNWPSR-CQSZACIVSA-N 1 0 303.402 3.546 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2ccc(F)nc2)c(C)n1-c1ccccc1 ZINC000778152783 1027665175 /nfs/dbraw/zinc/66/51/75/1027665175.db2.gz UURACUADVDIITH-UHFFFAOYSA-N 1 0 323.415 3.961 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCO[C@@H](C)C2)cc1 ZINC000778995560 1027734634 /nfs/dbraw/zinc/73/46/34/1027734634.db2.gz ZFVXCJANURKEJA-WMZOPIPTSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000364621277 1027857430 /nfs/dbraw/zinc/85/74/30/1027857430.db2.gz GZMOAINFICAYMQ-KRWDZBQOSA-N 1 0 313.445 3.532 20 10 DHCDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000779024930 1027906565 /nfs/dbraw/zinc/90/65/65/1027906565.db2.gz DZAPVPPETADSQZ-OIISXLGYSA-N 1 0 307.409 3.557 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)OC)c1 ZINC000527923897 1027955176 /nfs/dbraw/zinc/95/51/76/1027955176.db2.gz FDKQIPSPAQXUED-LIRRHRJNSA-N 1 0 315.413 3.748 20 10 DHCDRO COCCC1CC[NH+]([C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000527933812 1027994240 /nfs/dbraw/zinc/99/42/40/1027994240.db2.gz IGNJQVSQWYVTDS-WFASDCNBSA-N 1 0 307.409 3.828 20 10 DHCDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)c(Cl)cc1[O-] ZINC000527983838 1028002290 /nfs/dbraw/zinc/00/22/90/1028002290.db2.gz VDIHAMHKKMZQQC-NQTXRORDSA-N 1 0 302.201 3.529 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1C ZINC000528001261 1028025419 /nfs/dbraw/zinc/02/54/19/1028025419.db2.gz MFKRAYZLOGOMEG-WBVHZDCISA-N 1 0 302.462 3.677 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(Cl)cc1O ZINC000528003400 1028030031 /nfs/dbraw/zinc/03/00/31/1028030031.db2.gz SESVYJFRPBWLIK-SWLSCSKDSA-N 1 0 308.853 3.713 20 10 DHCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000779072453 1028158898 /nfs/dbraw/zinc/15/88/98/1028158898.db2.gz PJULCYBHUNMLGR-UHFFFAOYSA-N 1 0 303.377 3.651 20 10 DHCDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000780793967 1028181937 /nfs/dbraw/zinc/18/19/37/1028181937.db2.gz ZWXZOGOGVQBXGR-OCCSQVGLSA-N 1 0 300.368 3.915 20 10 DHCDRO CCOc1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1O ZINC000367460789 1028189423 /nfs/dbraw/zinc/18/94/23/1028189423.db2.gz JGQYDPARNJEZLH-UHFFFAOYSA-N 1 0 312.413 3.566 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1 ZINC000779081521 1028193020 /nfs/dbraw/zinc/19/30/20/1028193020.db2.gz AGMRELWPKNQZJY-CQSZACIVSA-N 1 0 310.397 3.523 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000779091896 1028225110 /nfs/dbraw/zinc/22/51/10/1028225110.db2.gz YZFHDZAZAJZZMV-CMPLNLGQSA-N 1 0 305.315 3.990 20 10 DHCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000367968434 1028264822 /nfs/dbraw/zinc/26/48/22/1028264822.db2.gz XNPFARSRZVBDCJ-FQEVSTJZSA-N 1 0 316.489 3.517 20 10 DHCDRO COC1(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000815019922 1028327734 /nfs/dbraw/zinc/32/77/34/1028327734.db2.gz VLODKDUZDKMLSP-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815118969 1028365374 /nfs/dbraw/zinc/36/53/74/1028365374.db2.gz NWROIWXOJDAMLI-RBUKOAKNSA-N 1 0 314.473 3.595 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000815119833 1028367678 /nfs/dbraw/zinc/36/76/78/1028367678.db2.gz HMDIJFQIBGXHPW-GOSISDBHSA-N 1 0 304.478 3.922 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000815108918 1028383308 /nfs/dbraw/zinc/38/33/08/1028383308.db2.gz QBFAKQPUXCEHGH-IUODEOHRSA-N 1 0 300.368 3.915 20 10 DHCDRO CC[C@@H](Nc1c[nH+]ccc1-n1cc(C)cn1)c1ccccc1O ZINC000369017923 1028435569 /nfs/dbraw/zinc/43/55/69/1028435569.db2.gz JOQWQNOTAJZZFA-OAHLLOKOSA-N 1 0 308.385 3.845 20 10 DHCDRO COc1cc(F)cc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000449295154 1028518671 /nfs/dbraw/zinc/51/86/71/1028518671.db2.gz QETXTUSIQJRORJ-UHFFFAOYSA-N 1 0 312.388 3.924 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769984 1028526970 /nfs/dbraw/zinc/52/69/70/1028526970.db2.gz CRTNFDAHPAQUGT-RDTXWAMCSA-N 1 0 313.445 3.958 20 10 DHCDRO COc1ccc(CC(C)(C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000188939262 1028541575 /nfs/dbraw/zinc/54/15/75/1028541575.db2.gz UFOMIYOJOQOCNA-UHFFFAOYSA-N 1 0 315.413 3.520 20 10 DHCDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555175 1028542300 /nfs/dbraw/zinc/54/23/00/1028542300.db2.gz RMMOLJJHXLECPW-LBPRGKRZSA-N 1 0 316.367 3.548 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c(O)c1 ZINC000815565860 1028546027 /nfs/dbraw/zinc/54/60/27/1028546027.db2.gz BVCNQEYKVMOQPO-CVEARBPZSA-N 1 0 311.425 3.911 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ccc(F)cc2)c(O)c1 ZINC000815566605 1028546214 /nfs/dbraw/zinc/54/62/14/1028546214.db2.gz ZARSNLPQBTWJCN-AWEZNQCLSA-N 1 0 303.377 3.878 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c(O)c1 ZINC000815564243 1028546951 /nfs/dbraw/zinc/54/69/51/1028546951.db2.gz CPACFJIPYWKJIY-SJLPKXTDSA-N 1 0 313.441 3.511 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577466 1028551494 /nfs/dbraw/zinc/55/14/94/1028551494.db2.gz QVMNSCKOXNGSRG-UYAOXDASSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c(O)c1 ZINC000815594838 1028562573 /nfs/dbraw/zinc/56/25/73/1028562573.db2.gz ZHWADLGXVCHGPU-WBMJQRKESA-N 1 0 321.367 3.671 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1C ZINC000370373872 1028597279 /nfs/dbraw/zinc/59/72/79/1028597279.db2.gz LDRMBORARKNJOG-DNVCBOLYSA-N 1 0 310.441 3.846 20 10 DHCDRO C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(F)ccc1O ZINC000371862067 1028768002 /nfs/dbraw/zinc/76/80/02/1028768002.db2.gz ASOOUWDLPYZBMD-CYBMUJFWSA-N 1 0 307.409 3.921 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000077282343 1028818771 /nfs/dbraw/zinc/81/87/71/1028818771.db2.gz VTVONFDDBSDUBW-UHFFFAOYSA-N 1 0 300.368 3.917 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000372765004 1028897022 /nfs/dbraw/zinc/89/70/22/1028897022.db2.gz MCJICYFYHAVRHB-QGZVFWFLSA-N 1 0 312.413 3.695 20 10 DHCDRO Oc1c(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc2ccccc21 ZINC000816512925 1028915628 /nfs/dbraw/zinc/91/56/28/1028915628.db2.gz ZNTRHRFLLUNACL-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2ccc3ccccc3c2O)s1 ZINC000816516723 1028919873 /nfs/dbraw/zinc/91/98/73/1028919873.db2.gz OIBNWSQUMQCABL-UHFFFAOYSA-N 1 0 312.438 3.985 20 10 DHCDRO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816549621 1028930618 /nfs/dbraw/zinc/93/06/18/1028930618.db2.gz UDMOKAHGCNISOC-SFHVURJKSA-N 1 0 312.457 3.900 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521708 1028931346 /nfs/dbraw/zinc/93/13/46/1028931346.db2.gz XBSYGDLHACIQTL-WMZOPIPTSA-N 1 0 311.425 3.794 20 10 DHCDRO CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccnn1C ZINC000816589297 1028938464 /nfs/dbraw/zinc/93/84/64/1028938464.db2.gz SMMDAPYNAXHHLN-GOSISDBHSA-N 1 0 323.440 3.808 20 10 DHCDRO CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccnn1C ZINC000816589298 1028939218 /nfs/dbraw/zinc/93/92/18/1028939218.db2.gz SMMDAPYNAXHHLN-SFHVURJKSA-N 1 0 323.440 3.808 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1O ZINC000816643150 1028969141 /nfs/dbraw/zinc/96/91/41/1028969141.db2.gz WMROTGBFODFQJI-HNNXBMFYSA-N 1 0 317.351 3.632 20 10 DHCDRO COc1cc(Cl)cc(CNc2cc3c(c[nH+]2)CCC3)c1O ZINC000816660532 1028980839 /nfs/dbraw/zinc/98/08/39/1028980839.db2.gz HWYAYYHJVJYUKU-UHFFFAOYSA-N 1 0 304.777 3.550 20 10 DHCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000816675828 1028988738 /nfs/dbraw/zinc/98/87/38/1028988738.db2.gz MKIHBMAIRIOKHH-FQEVSTJZSA-N 1 0 316.489 3.924 20 10 DHCDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1O)CC3 ZINC000778640454 1029058050 /nfs/dbraw/zinc/05/80/50/1029058050.db2.gz LQEQIHVLNVFUMG-OAHLLOKOSA-N 1 0 306.409 3.829 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc(C)n1 ZINC000817411471 1029153186 /nfs/dbraw/zinc/15/31/86/1029153186.db2.gz RODFJXOVYQFPCC-UHFFFAOYSA-N 1 0 309.457 3.979 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000155230726 1029203593 /nfs/dbraw/zinc/20/35/93/1029203593.db2.gz KLHCMJVSJJZMAF-ROUUACIJSA-N 1 0 316.420 3.875 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccc(N(C)C)cc1 ZINC000817584101 1029212031 /nfs/dbraw/zinc/21/20/31/1029212031.db2.gz RQYWSEPMSIZTMT-QAPCUYQASA-N 1 0 309.457 3.746 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000078005693 1029216297 /nfs/dbraw/zinc/21/62/97/1029216297.db2.gz OCBPCZRZOQIYLV-UHFFFAOYSA-N 1 0 310.441 3.756 20 10 DHCDRO CCN(CC)c1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817888597 1029264464 /nfs/dbraw/zinc/26/44/64/1029264464.db2.gz MWKNOEQEWZDMBT-PMACEKPBSA-N 1 0 309.457 3.767 20 10 DHCDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938501 1029282540 /nfs/dbraw/zinc/28/25/40/1029282540.db2.gz LTSSXHXXEBSJJO-JXFKEZNVSA-N 1 0 311.473 3.720 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000817938118 1029284013 /nfs/dbraw/zinc/28/40/13/1029284013.db2.gz DUQYPXKLKKDKBE-SCLBCKFNSA-N 1 0 317.502 3.782 20 10 DHCDRO CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942766 1029284337 /nfs/dbraw/zinc/28/43/37/1029284337.db2.gz DQAQHCTURDWERZ-LBPRGKRZSA-N 1 0 305.249 3.739 20 10 DHCDRO CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000155729985 1029287809 /nfs/dbraw/zinc/28/78/09/1029287809.db2.gz JPOFYBQAAAQVRW-KRWDZBQOSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(C)c1 ZINC000817942005 1029288564 /nfs/dbraw/zinc/28/85/64/1029288564.db2.gz MAAKPXDFVHRIRG-PMACEKPBSA-N 1 0 311.473 3.802 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954867 1029293125 /nfs/dbraw/zinc/29/31/25/1029293125.db2.gz LKMUIEMOEKLOKP-ZWNOBZJWSA-N 1 0 317.260 3.739 20 10 DHCDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)ccc1SC ZINC000817956038 1029297248 /nfs/dbraw/zinc/29/72/48/1029297248.db2.gz OHZKBMNVCDTCPG-CYBMUJFWSA-N 1 0 316.470 3.893 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817956858 1029297277 /nfs/dbraw/zinc/29/72/77/1029297277.db2.gz FJMGSHNDNRTDFE-IBGZPJMESA-N 1 0 305.425 3.960 20 10 DHCDRO CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965021 1029304446 /nfs/dbraw/zinc/30/44/46/1029304446.db2.gz NCAXSNKSEJJOSF-LBPRGKRZSA-N 1 0 303.233 3.621 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970498 1029311001 /nfs/dbraw/zinc/31/10/01/1029311001.db2.gz XSKCOXZHXKXOHK-GUBZILKMSA-N 1 0 303.233 3.620 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1 ZINC000817975538 1029314133 /nfs/dbraw/zinc/31/41/33/1029314133.db2.gz WISGDVXSOXOBIW-QAPCUYQASA-N 1 0 310.441 3.547 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980491 1029317869 /nfs/dbraw/zinc/31/78/69/1029317869.db2.gz CAXMYDZKYXTNPZ-BREBYQMCSA-N 1 0 317.260 3.867 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983041 1029320586 /nfs/dbraw/zinc/32/05/86/1029320586.db2.gz XPSJBNAMSMDWRA-PUYPPJJSSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(C)CC3)C2)cc1 ZINC000818220894 1029355398 /nfs/dbraw/zinc/35/53/98/1029355398.db2.gz OBXXPVOUXXCRBY-AQFXKWCLSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3csc(C)c3)C2)cc1 ZINC000818220628 1029356802 /nfs/dbraw/zinc/35/68/02/1029356802.db2.gz HRUFHHNOWKDZID-HNNXBMFYSA-N 1 0 316.470 3.681 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC(C)(C)C3)C2)cc1 ZINC000818343229 1029375608 /nfs/dbraw/zinc/37/56/08/1029375608.db2.gz ZXNULKXLNFKRST-CVEARBPZSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(F)cc2C)c1 ZINC000120707267 1029985659 /nfs/dbraw/zinc/98/56/59/1029985659.db2.gz VBTCZDTUWJVNGS-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1ccc(C[NH2+]CCSCCC(F)(F)F)cc1C ZINC000865788622 1030026854 /nfs/dbraw/zinc/02/68/54/1030026854.db2.gz CMHAWOQJEQBHOL-UHFFFAOYSA-N 1 0 307.381 3.779 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000290443918 1030052347 /nfs/dbraw/zinc/05/23/47/1030052347.db2.gz LYVXWKXFTZNEQW-QGZVFWFLSA-N 1 0 316.424 3.569 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1O ZINC000865854653 1030060444 /nfs/dbraw/zinc/06/04/44/1030060444.db2.gz RJMALDJINAZTKV-LBPRGKRZSA-N 1 0 312.369 3.783 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(Br)CC1 ZINC000924646855 1030149705 /nfs/dbraw/zinc/14/97/05/1030149705.db2.gz COKITYMNTDXKPD-ZDUSSCGKSA-N 1 0 323.278 3.692 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CCc3cccs3)CC2)cc1 ZINC000120960053 1030156031 /nfs/dbraw/zinc/15/60/31/1030156031.db2.gz VTVUPVPNUGFFKH-UHFFFAOYSA-N 1 0 316.470 3.512 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CC(C)(C)O)cc1 ZINC000823453351 1030292470 /nfs/dbraw/zinc/29/24/70/1030292470.db2.gz MMEUKJXQMJTXDM-UHFFFAOYSA-N 1 0 318.486 3.587 20 10 DHCDRO CC[N@H+](CCCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823464634 1030294147 /nfs/dbraw/zinc/29/41/47/1030294147.db2.gz IOQIUGZOIVXGLG-UHFFFAOYSA-N 1 0 318.486 3.589 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)ccc1O ZINC000866499770 1030327477 /nfs/dbraw/zinc/32/74/77/1030327477.db2.gz NQWHKMKTYOBRIP-BDODKLCJSA-N 1 0 324.140 3.756 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)cc1O ZINC000866499016 1030327877 /nfs/dbraw/zinc/32/78/77/1030327877.db2.gz CRZAIEGATDFMRZ-WQGWLQIFSA-N 1 0 324.140 3.756 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2O ZINC000866538259 1030357675 /nfs/dbraw/zinc/35/76/75/1030357675.db2.gz PWENHZQQIHSLQB-AOLWHUPESA-N 1 0 319.420 3.732 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540863 1030363344 /nfs/dbraw/zinc/36/33/44/1030363344.db2.gz FKMIWVJDVKPWEW-JTQLQIEISA-N 1 0 311.303 3.984 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000823836162 1030407145 /nfs/dbraw/zinc/40/71/45/1030407145.db2.gz AJUIAKDYLBZCHC-DZFIZOCASA-N 1 0 316.489 3.969 20 10 DHCDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N(C)C)cc1 ZINC000777565307 1030409340 /nfs/dbraw/zinc/40/93/40/1030409340.db2.gz BVGNUDXZCGGWMQ-CQSZACIVSA-N 1 0 307.401 3.506 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000823843225 1030411246 /nfs/dbraw/zinc/41/12/46/1030411246.db2.gz YVIICGDXYDFOMY-HZPDHXFCSA-N 1 0 308.441 3.719 20 10 DHCDRO CCC[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823842864 1030411328 /nfs/dbraw/zinc/41/13/28/1030411328.db2.gz SIQIGNNMEFAOLP-KRWDZBQOSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866623938 1030411817 /nfs/dbraw/zinc/41/18/17/1030411817.db2.gz WTVKWDBPZFJJBF-DYVFJYSZSA-N 1 0 305.418 3.543 20 10 DHCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823923368 1030437443 /nfs/dbraw/zinc/43/74/43/1030437443.db2.gz POUDINHGJGVFTO-INIZCTEOSA-N 1 0 318.486 3.635 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000121644682 1030454918 /nfs/dbraw/zinc/45/49/18/1030454918.db2.gz BYLJDSFFXNZPCH-QGZVFWFLSA-N 1 0 322.452 3.594 20 10 DHCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824059363 1030460836 /nfs/dbraw/zinc/46/08/36/1030460836.db2.gz VTQTZNQHZUBKTI-CQSZACIVSA-N 1 0 318.486 3.634 20 10 DHCDRO CCC1([NH3+])CC[NH+]([C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000925761247 1030484839 /nfs/dbraw/zinc/48/48/39/1030484839.db2.gz XSSIXOVPCKBZKG-LLVKDONJSA-N 1 0 316.367 3.675 20 10 DHCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824243048 1030507619 /nfs/dbraw/zinc/50/76/19/1030507619.db2.gz WIPICRDKRXAMCB-AWEZNQCLSA-N 1 0 304.459 3.509 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000824382398 1030543178 /nfs/dbraw/zinc/54/31/78/1030543178.db2.gz BSDYCNHDSHQYEA-GFCCVEGCSA-N 1 0 323.314 3.595 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)c(O)c1 ZINC000824483564 1030564090 /nfs/dbraw/zinc/56/40/90/1030564090.db2.gz QMUSHLVJSUCDND-AWEZNQCLSA-N 1 0 315.438 3.770 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCCc3c(F)cccc32)c1O ZINC000824468727 1030567802 /nfs/dbraw/zinc/56/78/02/1030567802.db2.gz NASDTKBEOINNHS-INIZCTEOSA-N 1 0 301.361 3.707 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C ZINC000824695935 1030613785 /nfs/dbraw/zinc/61/37/85/1030613785.db2.gz DXJZDXYLDFRYAP-KURKYZTESA-N 1 0 303.446 3.525 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824691127 1030614927 /nfs/dbraw/zinc/61/49/27/1030614927.db2.gz UJYHJNPSSLXWBZ-SFHVURJKSA-N 1 0 318.848 3.571 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2F)c1O ZINC000291721290 1030616898 /nfs/dbraw/zinc/61/68/98/1030616898.db2.gz MNXHEBQVIRBDKU-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCCCCC2)c(Cl)c1 ZINC001308706943 1030630105 /nfs/dbraw/zinc/63/01/05/1030630105.db2.gz YWVNUWDNDKIVDO-UHFFFAOYSA-N 1 0 311.853 3.871 20 10 DHCDRO Oc1c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000824751379 1030638416 /nfs/dbraw/zinc/63/84/16/1030638416.db2.gz UXDJILSAQOCQFV-HNNXBMFYSA-N 1 0 311.425 3.984 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824798895 1030640950 /nfs/dbraw/zinc/64/09/50/1030640950.db2.gz IPLBXDUZQIZCAG-BBRMVZONSA-N 1 0 311.853 3.895 20 10 DHCDRO C[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(Cl)Cl ZINC000824964058 1030670188 /nfs/dbraw/zinc/67/01/88/1030670188.db2.gz IQMWLUPSCVBRHL-CQSZACIVSA-N 1 0 300.229 3.685 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1F ZINC000825078245 1030721627 /nfs/dbraw/zinc/72/16/27/1030721627.db2.gz XEMHIKQDAIVNHY-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@H](C)O)cc2)cc1Cl ZINC000825138798 1030735206 /nfs/dbraw/zinc/73/52/06/1030735206.db2.gz XIWPBWJXJDZRHP-LBPRGKRZSA-N 1 0 305.805 3.697 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccccc1O ZINC000291981535 1030737342 /nfs/dbraw/zinc/73/73/42/1030737342.db2.gz VKMCDWDRSLDPKI-PRXAMGSTSA-N 1 0 303.427 3.807 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(O)c1 ZINC000248492719 1030750086 /nfs/dbraw/zinc/75/00/86/1030750086.db2.gz JORVAEMCUIDHKX-OXXUSNJHSA-N 1 0 301.430 3.699 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1OCCc2sccc21 ZINC000292011660 1030755530 /nfs/dbraw/zinc/75/55/30/1030755530.db2.gz YUUMNXDAHMADOA-WVQJBOLRSA-N 1 0 321.417 3.946 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825287487 1030766878 /nfs/dbraw/zinc/76/68/78/1030766878.db2.gz KSLZVFZLPPUSJE-OAHLLOKOSA-N 1 0 323.820 3.987 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000825297345 1030769004 /nfs/dbraw/zinc/76/90/04/1030769004.db2.gz BLHVWBHBTATKTR-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000825321169 1030773867 /nfs/dbraw/zinc/77/38/67/1030773867.db2.gz UAAHUWGDAXUHMD-WQVCFCJDSA-N 1 0 309.837 3.647 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000825359052 1030786161 /nfs/dbraw/zinc/78/61/61/1030786161.db2.gz XIKWPCIYQVBKGB-CZUORRHYSA-N 1 0 311.853 3.775 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCC2 ZINC000122773099 1030862640 /nfs/dbraw/zinc/86/26/40/1030862640.db2.gz HZINDWDBOVZYMS-INIZCTEOSA-N 1 0 315.486 3.993 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000122811365 1030883444 /nfs/dbraw/zinc/88/34/44/1030883444.db2.gz GJUHOULIYVWSHG-SFHVURJKSA-N 1 0 314.477 3.652 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915377 1030986678 /nfs/dbraw/zinc/98/66/78/1030986678.db2.gz KQGOQSFDCSWOTQ-CORIIIEPSA-N 1 0 317.351 3.933 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915715 1030989041 /nfs/dbraw/zinc/98/90/41/1030989041.db2.gz LVEIJDHLYBQQKQ-MJVIPROJSA-N 1 0 303.324 3.543 20 10 DHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](CC)c3ccccc3O)C2)n1 ZINC000927053187 1031051637 /nfs/dbraw/zinc/05/16/37/1031051637.db2.gz OPDKBOZNYLGLCW-UMVBOHGHSA-N 1 0 315.417 3.715 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000927069809 1031069972 /nfs/dbraw/zinc/06/99/72/1031069972.db2.gz NEPACDTWBWZSPP-HHXXYDBFSA-N 1 0 303.446 3.947 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2O ZINC000927090179 1031080553 /nfs/dbraw/zinc/08/05/53/1031080553.db2.gz JJCSLEJIUVHMLJ-IAQYHMDHSA-N 1 0 313.372 3.804 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(Cl)cc1O ZINC000927101054 1031087558 /nfs/dbraw/zinc/08/75/58/1031087558.db2.gz PKIFEMXTKPHRNO-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000123495088 1031144189 /nfs/dbraw/zinc/14/41/89/1031144189.db2.gz STECODJPENNJAL-LPHOPBHVSA-N 1 0 304.478 3.735 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1 ZINC000292742517 1031153970 /nfs/dbraw/zinc/15/39/70/1031153970.db2.gz HOFDIAJNFVPZSL-JKSUJKDBSA-N 1 0 311.372 3.658 20 10 DHCDRO CCOc1c(F)cc(C[N@H+](C)Cc2ccccc2O)cc1F ZINC001144033590 1031198491 /nfs/dbraw/zinc/19/84/91/1031198491.db2.gz XMSLTZORBNNNAQ-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cc(F)ccc1O ZINC000844922898 1031400478 /nfs/dbraw/zinc/40/04/78/1031400478.db2.gz COTQDGAFFMCGPV-CZUORRHYSA-N 1 0 314.404 3.999 20 10 DHCDRO C[C@H]1CCCC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298334 1031437743 /nfs/dbraw/zinc/43/77/43/1031437743.db2.gz BTLBNOKPRQOAKH-JTQLQIEISA-N 1 0 316.214 3.916 20 10 DHCDRO CC1(C)CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144298407 1031437779 /nfs/dbraw/zinc/43/77/79/1031437779.db2.gz CZEWDASYQFEISC-UHFFFAOYSA-N 1 0 302.187 3.668 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000872131869 1031524448 /nfs/dbraw/zinc/52/44/48/1031524448.db2.gz BQLHGBCAGXMSKL-RPVQJOFSSA-N 1 0 315.413 3.564 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccccc1O ZINC000360709351 1031531342 /nfs/dbraw/zinc/53/13/42/1031531342.db2.gz CJEWONZNIJAEOX-ADLFWFRXSA-N 1 0 310.441 3.661 20 10 DHCDRO C[C@@H](C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-])c1nccs1 ZINC000293622834 1031542974 /nfs/dbraw/zinc/54/29/74/1031542974.db2.gz MPQMWZPIGHIAAA-VIFPVBQESA-N 1 0 314.813 3.877 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000293644369 1031552027 /nfs/dbraw/zinc/55/20/27/1031552027.db2.gz HJOMLJJZIXHOSB-CYBMUJFWSA-N 1 0 301.434 3.852 20 10 DHCDRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000124001653 1031564574 /nfs/dbraw/zinc/56/45/74/1031564574.db2.gz GXKGCPNTQHAHPC-MRXNPFEDSA-N 1 0 322.456 3.843 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293708840 1031582498 /nfs/dbraw/zinc/58/24/98/1031582498.db2.gz LVNCOFJNXFUGAE-DZGCQCFKSA-N 1 0 301.434 3.501 20 10 DHCDRO c1csc(SCCC[NH2+]CC2=Cc3ccccc3OC2)n1 ZINC000124250718 1031661659 /nfs/dbraw/zinc/66/16/59/1031661659.db2.gz PLRQECSVXHKKPJ-UHFFFAOYSA-N 1 0 318.467 3.691 20 10 DHCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000872807327 1031664191 /nfs/dbraw/zinc/66/41/91/1031664191.db2.gz NKOOWWIOSAWQFV-AWEZNQCLSA-N 1 0 302.443 3.763 20 10 DHCDRO C[N@H+](Cc1ccc2ccccc2c1)Cc1c(O)cc(O)cc1O ZINC001144515156 1031674440 /nfs/dbraw/zinc/67/44/40/1031674440.db2.gz FXRLABLVWSLNQG-UHFFFAOYSA-N 1 0 309.365 3.589 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1C ZINC000873135145 1031721540 /nfs/dbraw/zinc/72/15/40/1031721540.db2.gz HBBNQVZJMPPOBE-YVHKJVDXSA-N 1 0 323.502 3.563 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCSCCC(F)(F)F ZINC000865788459 1031723458 /nfs/dbraw/zinc/72/34/58/1031723458.db2.gz SDAXPLAQMYOSSQ-UHFFFAOYSA-N 1 0 313.772 3.821 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(OC(C)C)CCC2)ccc1OC ZINC000873167570 1031736387 /nfs/dbraw/zinc/73/63/87/1031736387.db2.gz XWQZCNHMNYAZRZ-UHFFFAOYSA-N 1 0 321.461 3.669 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873239651 1031770587 /nfs/dbraw/zinc/77/05/87/1031770587.db2.gz AAGOFHAIEWRFTQ-DCAQKATOSA-N 1 0 317.260 3.867 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000845971827 1031789799 /nfs/dbraw/zinc/78/97/99/1031789799.db2.gz NFPODQYMYLKZGZ-LLVKDONJSA-N 1 0 318.442 3.587 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846044922 1031837057 /nfs/dbraw/zinc/83/70/57/1031837057.db2.gz UDHMZHLHBFHTOP-WUUFJKRQSA-N 1 0 314.473 3.561 20 10 DHCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000846045703 1031839440 /nfs/dbraw/zinc/83/94/40/1031839440.db2.gz VRAZXMQZUFDLTJ-ARZLJQGISA-N 1 0 324.468 3.652 20 10 DHCDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846072308 1031848485 /nfs/dbraw/zinc/84/84/85/1031848485.db2.gz FRNUHVBEKYCYOD-INIZCTEOSA-N 1 0 302.462 3.582 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846105387 1031881033 /nfs/dbraw/zinc/88/10/33/1031881033.db2.gz TVHIVPBSWWRJFR-NJELEJDNSA-N 1 0 306.400 3.887 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(F)c2F)c1O ZINC000846150383 1031886312 /nfs/dbraw/zinc/88/63/12/1031886312.db2.gz FCZPQQGUEPZKEP-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1O ZINC000846156949 1031887887 /nfs/dbraw/zinc/88/78/87/1031887887.db2.gz QHQZQKFPOHLABB-CTSOBWNQSA-N 1 0 309.409 3.637 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2Cl)c1O ZINC000846158169 1031888167 /nfs/dbraw/zinc/88/81/67/1031888167.db2.gz UHWQKZCOWSFKFQ-LBPRGKRZSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846158336 1031888492 /nfs/dbraw/zinc/88/84/92/1031888492.db2.gz WQRVGFMHNZIAEX-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000846158171 1031889601 /nfs/dbraw/zinc/88/96/01/1031889601.db2.gz ULUBALFOCLYZJT-WOSRLPQWSA-N 1 0 307.434 3.645 20 10 DHCDRO CCSc1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)ccn1 ZINC000846163503 1031892271 /nfs/dbraw/zinc/89/22/71/1031892271.db2.gz IHNZOKBBLOYSHI-GFCCVEGCSA-N 1 0 318.442 3.759 20 10 DHCDRO COc1cccc([C@H](C)Nc2ccc3c(c2)CCCN3C)c1O ZINC000846161911 1031892354 /nfs/dbraw/zinc/89/23/54/1031892354.db2.gz HJLXECRSWUTUHM-ZDUSSCGKSA-N 1 0 312.413 3.956 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnccc2C(C)(C)C)c1O ZINC000846171173 1031897458 /nfs/dbraw/zinc/89/74/58/1031897458.db2.gz FAWMGZWLBYGFPJ-CYBMUJFWSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOC2CCCCC2)c1O ZINC000846136654 1031899560 /nfs/dbraw/zinc/89/95/60/1031899560.db2.gz MRGXETBZCLVERV-AWEZNQCLSA-N 1 0 307.434 3.791 20 10 DHCDRO CCC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142810 1031902319 /nfs/dbraw/zinc/90/23/19/1031902319.db2.gz BHDLCULQAWRMER-CJNGLKHVSA-N 1 0 300.402 3.988 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846142947 1031903837 /nfs/dbraw/zinc/90/38/37/1031903837.db2.gz XHOZRIZJHWNJAW-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145200 1031905545 /nfs/dbraw/zinc/90/55/45/1031905545.db2.gz MBWKKTVUTGFWQK-CQSZACIVSA-N 1 0 314.429 3.708 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2cccc(C)c2)c1O ZINC000846147955 1031911172 /nfs/dbraw/zinc/91/11/72/1031911172.db2.gz YPCBPPZOPPMZHL-HNNXBMFYSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000846182189 1031915578 /nfs/dbraw/zinc/91/55/78/1031915578.db2.gz ADISXXOSFUQJDE-VQISRLSMSA-N 1 0 301.789 3.756 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c(O)c1C ZINC000846191194 1031925501 /nfs/dbraw/zinc/92/55/01/1031925501.db2.gz WRIXEFBYIMWGOX-TWOQFEAHSA-N 1 0 313.441 3.956 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC000846200943 1031928220 /nfs/dbraw/zinc/92/82/20/1031928220.db2.gz JNSAOUFYQBFJFK-OGWOLHLISA-N 1 0 312.413 3.667 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071982 1031943944 /nfs/dbraw/zinc/94/39/44/1031943944.db2.gz WTNJIRJSFYVZMS-LLVKDONJSA-N 1 0 308.834 3.567 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1O ZINC000124743513 1031956352 /nfs/dbraw/zinc/95/63/52/1031956352.db2.gz YHBAVZUFYAAEKA-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC=CC[C@H]3C)CC2)cc1 ZINC000898224016 1032006995 /nfs/dbraw/zinc/00/69/95/1032006995.db2.gz MMICWBAVXXCFAR-DNVCBOLYSA-N 1 0 300.446 3.608 20 10 DHCDRO COc1cc(C[N@H+](Cc2ccc(C)cc2O)C2CC2)ccc1O ZINC000877424218 1033296211 /nfs/dbraw/zinc/29/62/11/1033296211.db2.gz UABOZBRTCNYZNP-UHFFFAOYSA-N 1 0 313.397 3.579 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCC1 ZINC000877479400 1033316622 /nfs/dbraw/zinc/31/66/22/1033316622.db2.gz CSKSFHKSZIJFEW-UHFFFAOYSA-N 1 0 316.489 3.658 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(Cl)cc1 ZINC000877484103 1033317244 /nfs/dbraw/zinc/31/72/44/1033317244.db2.gz XTFCPXXRNNEOLI-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(O)c1 ZINC000877519669 1033334752 /nfs/dbraw/zinc/33/47/52/1033334752.db2.gz ZEHHAKMEENOLML-AQNXPRMDSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)c1O ZINC000877526072 1033336388 /nfs/dbraw/zinc/33/63/88/1033336388.db2.gz PGRVVIGBUDTBPG-CQSZACIVSA-N 1 0 324.424 3.993 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c(O)c1 ZINC000877549151 1033350324 /nfs/dbraw/zinc/35/03/24/1033350324.db2.gz HTLQYRGCEKMLRG-IBGZPJMESA-N 1 0 311.425 3.694 20 10 DHCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172760283 1033352796 /nfs/dbraw/zinc/35/27/96/1033352796.db2.gz NFYKEWDNEOUJMT-CABCVRRESA-N 1 0 306.450 3.524 20 10 DHCDRO Cc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000877563843 1033359034 /nfs/dbraw/zinc/35/90/34/1033359034.db2.gz SNCYXWWULCBZCS-MRXNPFEDSA-N 1 0 305.805 3.519 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c(O)c1 ZINC000877575952 1033366444 /nfs/dbraw/zinc/36/64/44/1033366444.db2.gz CTHRQWYZNRAHBM-INIZCTEOSA-N 1 0 305.443 3.612 20 10 DHCDRO Cc1cc(C[NH2+]C2CC(n3cccn3)C2)c(C)n1-c1ccccc1 ZINC000877657331 1033399850 /nfs/dbraw/zinc/39/98/50/1033399850.db2.gz JEDPMGGOPWSFRX-UHFFFAOYSA-N 1 0 320.440 3.784 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672367 1033404333 /nfs/dbraw/zinc/40/43/33/1033404333.db2.gz CPRHVIVTDVQTRU-IRXDYDNUSA-N 1 0 317.816 3.744 20 10 DHCDRO COCc1ccccc1/C=C(\C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703284 1033417761 /nfs/dbraw/zinc/41/77/61/1033417761.db2.gz ZYWBPMGEVAPFLK-XNTDXEJSSA-N 1 0 309.409 3.958 20 10 DHCDRO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703362 1033418382 /nfs/dbraw/zinc/41/83/82/1033418382.db2.gz DWFBNQUCDGSWIQ-UHFFFAOYSA-N 1 0 319.408 3.711 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877729023 1033423160 /nfs/dbraw/zinc/42/31/60/1033423160.db2.gz MMHGEKWVEQGLRG-GXFFZTMASA-N 1 0 303.299 3.766 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC000877757070 1033434801 /nfs/dbraw/zinc/43/48/01/1033434801.db2.gz DWXIVGULGFLWCO-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO CC(C)n1ncc2cc(C[NH2+][C@@H](C)c3ccccc3O)cnc21 ZINC000877757147 1033435240 /nfs/dbraw/zinc/43/52/40/1033435240.db2.gz JDKXWOLKOJTBAY-ZDUSSCGKSA-N 1 0 310.401 3.569 20 10 DHCDRO COc1cc(C)c(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000877756497 1033435512 /nfs/dbraw/zinc/43/55/12/1033435512.db2.gz MVSYSQUQUNHQDN-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC000877761748 1033440187 /nfs/dbraw/zinc/44/01/87/1033440187.db2.gz ODJFWFJPRVXVOO-UHFFFAOYSA-N 1 0 313.376 3.631 20 10 DHCDRO CO[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172939430 1033478262 /nfs/dbraw/zinc/47/82/62/1033478262.db2.gz POBZUQGDHVIDAI-MOPGFXCFSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000927065248 1033482533 /nfs/dbraw/zinc/48/25/33/1033482533.db2.gz GCSOEXULYYXETL-PLQHRBFRSA-N 1 0 309.837 3.901 20 10 DHCDRO CCC[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccccc1O ZINC000878151454 1033598202 /nfs/dbraw/zinc/59/82/02/1033598202.db2.gz QURQAYIDGOCGMO-UHFFFAOYSA-N 1 0 300.402 3.671 20 10 DHCDRO CCSC[C@@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001173304805 1033659356 /nfs/dbraw/zinc/65/93/56/1033659356.db2.gz KDSWTHGDMNAIRB-CYBMUJFWSA-N 1 0 318.486 3.687 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1 ZINC000777223699 1033725779 /nfs/dbraw/zinc/72/57/79/1033725779.db2.gz UYLVQEQOHFUMSO-NSHDSACASA-N 1 0 314.410 3.861 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000479431764 1033759857 /nfs/dbraw/zinc/75/98/57/1033759857.db2.gz OFYSNTZZSVBTOJ-LZQZEXGQSA-N 1 0 312.457 3.780 20 10 DHCDRO COCC1([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000777238193 1033804547 /nfs/dbraw/zinc/80/45/47/1033804547.db2.gz QCTSWMHNOWBOMD-CQSZACIVSA-N 1 0 306.425 3.646 20 10 DHCDRO CN(C)c1cc(F)c(CN(Cc2cccnc2)C2CC2)cc1F ZINC000862368039 1033831231 /nfs/dbraw/zinc/83/12/31/1033831231.db2.gz BQLAKYYJJPXDED-UHFFFAOYSA-N 1 0 317.383 3.590 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000862485206 1033867558 /nfs/dbraw/zinc/86/75/58/1033867558.db2.gz JUKQXAILHZGHDD-ZBFHGGJFSA-N 1 0 319.445 3.500 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862528641 1033872981 /nfs/dbraw/zinc/87/29/81/1033872981.db2.gz FEQUHRNJMGMZOM-YESZJQIVSA-N 1 0 309.409 3.636 20 10 DHCDRO CCOc1cccc(C[NH+]2CC(Cc3cccs3)C2)c1O ZINC000862537657 1033878654 /nfs/dbraw/zinc/87/86/54/1033878654.db2.gz DJOXBLRXRWZEKE-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1F ZINC000862540977 1033883606 /nfs/dbraw/zinc/88/36/06/1033883606.db2.gz MUFSCNQQNDYFGT-MRXNPFEDSA-N 1 0 314.404 3.587 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000862551995 1033885641 /nfs/dbraw/zinc/88/56/41/1033885641.db2.gz VZDHRELPAFADKF-UHFFFAOYSA-N 1 0 319.351 3.848 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825562413 1033948744 /nfs/dbraw/zinc/94/87/44/1033948744.db2.gz LFYQIKDEOGIFRI-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000119377325 1034053396 /nfs/dbraw/zinc/05/33/96/1034053396.db2.gz QHHAVBPZFNREMV-UHFFFAOYSA-N 1 0 319.788 3.799 20 10 DHCDRO COc1cccc(SCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879649635 1034070019 /nfs/dbraw/zinc/07/00/19/1034070019.db2.gz ABXBKIUGVXEDLM-ZDUSSCGKSA-N 1 0 303.427 3.844 20 10 DHCDRO COc1cccc(SCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649633 1034071941 /nfs/dbraw/zinc/07/19/41/1034071941.db2.gz ABXBKIUGVXEDLM-CYBMUJFWSA-N 1 0 303.427 3.844 20 10 DHCDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651537 1034074273 /nfs/dbraw/zinc/07/42/73/1034074273.db2.gz ACOUVWDFZWHWDL-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccncn3)CC2)cc1Cl ZINC000826120503 1034088912 /nfs/dbraw/zinc/08/89/12/1034088912.db2.gz DZVRVJAZPFOJLS-UHFFFAOYSA-N 1 0 317.820 3.524 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)c2cccnc2)cc1Cl ZINC000826124052 1034120797 /nfs/dbraw/zinc/12/07/97/1034120797.db2.gz ZEPWDOABYXCJRL-UHFFFAOYSA-N 1 0 304.821 3.816 20 10 DHCDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000178278179 1034227125 /nfs/dbraw/zinc/22/71/25/1034227125.db2.gz IIKQIYYVYVVWRC-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C)Cc3cccn3C)c2c1 ZINC000128356145 1034295865 /nfs/dbraw/zinc/29/58/65/1034295865.db2.gz QJXZIRLEOOQMKQ-UHFFFAOYSA-N 1 0 310.397 3.525 20 10 DHCDRO Cc1cccc2c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)[nH]nc21 ZINC001137150751 1034298263 /nfs/dbraw/zinc/29/82/63/1034298263.db2.gz VDQLVKLIODPDQP-UHFFFAOYSA-N 1 0 308.429 3.569 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000179630815 1034320353 /nfs/dbraw/zinc/32/03/53/1034320353.db2.gz HZIZEGKTNGDJSU-GFCCVEGCSA-N 1 0 319.376 3.742 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccccc2F)cc1OC ZINC000179677367 1034324010 /nfs/dbraw/zinc/32/40/10/1034324010.db2.gz RJWPLUZCUAELLJ-GFCCVEGCSA-N 1 0 319.376 3.742 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1 ZINC000183447327 1034388177 /nfs/dbraw/zinc/38/81/77/1034388177.db2.gz SGDNAUNMUDAWKP-SFHVURJKSA-N 1 0 312.413 3.913 20 10 DHCDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccccc1O)c1ccco1 ZINC000183468495 1034390125 /nfs/dbraw/zinc/39/01/25/1034390125.db2.gz RVECJWVRCCSWLP-GDBMZVCRSA-N 1 0 302.418 3.719 20 10 DHCDRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183626066 1034404710 /nfs/dbraw/zinc/40/47/10/1034404710.db2.gz SIIGWDKZDFFNAR-HNNXBMFYSA-N 1 0 315.413 3.658 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000183715071 1034413747 /nfs/dbraw/zinc/41/37/47/1034413747.db2.gz GCFRPEUEGKQYDK-AWEZNQCLSA-N 1 0 300.402 3.769 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000184708983 1034496707 /nfs/dbraw/zinc/49/67/07/1034496707.db2.gz BFLKHNKEFRPONN-UHFFFAOYSA-N 1 0 321.779 3.972 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000185010070 1034517574 /nfs/dbraw/zinc/51/75/74/1034517574.db2.gz HDQMUVALWLYTMF-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C)cc1O ZINC000794815756 1034527619 /nfs/dbraw/zinc/52/76/19/1034527619.db2.gz LNDNIBKGTNWSNM-OAHLLOKOSA-N 1 0 320.820 3.869 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(C)cc1O ZINC000794817214 1034534288 /nfs/dbraw/zinc/53/42/88/1034534288.db2.gz NWTAAQXMSIIXAQ-DOTOQJQBSA-N 1 0 305.462 3.930 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1O ZINC000185232677 1034536886 /nfs/dbraw/zinc/53/68/86/1034536886.db2.gz HJLKOVMZKSIRPV-LLVKDONJSA-N 1 0 306.356 3.587 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817708 1034539114 /nfs/dbraw/zinc/53/91/14/1034539114.db2.gz VCTUTZVMUDEEIB-MRXNPFEDSA-N 1 0 309.413 3.828 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1O ZINC000794817768 1034539337 /nfs/dbraw/zinc/53/93/37/1034539337.db2.gz VQHJYWKKKVCEGT-MJGOQNOKSA-N 1 0 313.441 3.653 20 10 DHCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000185313192 1034541491 /nfs/dbraw/zinc/54/14/91/1034541491.db2.gz PYSZGYDONLYHBF-CQSZACIVSA-N 1 0 309.413 3.562 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185453893 1034549024 /nfs/dbraw/zinc/54/90/24/1034549024.db2.gz CAJHFNCYZBIDKX-YVEFUNNKSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185453858 1034549670 /nfs/dbraw/zinc/54/96/70/1034549670.db2.gz CAJHFNCYZBIDKX-SJCJKPOMSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185513561 1034554529 /nfs/dbraw/zinc/55/45/29/1034554529.db2.gz UDNPZUUDBMHYJG-XIKOKIGWSA-N 1 0 317.454 3.717 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000185669948 1034564571 /nfs/dbraw/zinc/56/45/71/1034564571.db2.gz KZVFGLQKWAOGKC-ONGXEEELSA-N 1 0 303.880 3.545 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839478 1034576174 /nfs/dbraw/zinc/57/61/74/1034576174.db2.gz QZIWXSINKJBMFA-ZENOOKHLSA-N 1 0 305.443 3.925 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000186093512 1034599720 /nfs/dbraw/zinc/59/97/20/1034599720.db2.gz FMEQZSFCRRYQGP-PMUMKWKESA-N 1 0 307.434 3.503 20 10 DHCDRO C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186159693 1034605079 /nfs/dbraw/zinc/60/50/79/1034605079.db2.gz XGNBYHHTLXTETA-SCLBCKFNSA-N 1 0 315.388 3.696 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000186355086 1034624659 /nfs/dbraw/zinc/62/46/59/1034624659.db2.gz JORVAEMCUIDHKX-PLYYQAHHSA-N 1 0 301.430 3.699 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794841120 1034672852 /nfs/dbraw/zinc/67/28/52/1034672852.db2.gz LWLUQESLARVCDE-BZUAXINKSA-N 1 0 320.452 3.749 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccncc2CC)c1O ZINC000773430330 1034693909 /nfs/dbraw/zinc/69/39/09/1034693909.db2.gz YDJPKXRVZXSBGQ-CYBMUJFWSA-N 1 0 300.402 3.599 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000773429747 1034718376 /nfs/dbraw/zinc/71/83/76/1034718376.db2.gz VVEVMDYMAMWFPW-CYBMUJFWSA-N 1 0 301.409 3.700 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1O ZINC000194374338 1035119444 /nfs/dbraw/zinc/11/94/44/1035119444.db2.gz DSGSRYCHGUOVSZ-KRWDZBQOSA-N 1 0 307.397 3.819 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000194755464 1035322989 /nfs/dbraw/zinc/32/29/89/1035322989.db2.gz IUXIGNDJPZFUIX-CQSZACIVSA-N 1 0 309.413 3.860 20 10 DHCDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483461 1035372105 /nfs/dbraw/zinc/37/21/05/1035372105.db2.gz SRUJNKMBBLPHGA-MOPGFXCFSA-N 1 0 316.489 3.828 20 10 DHCDRO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483411 1035372240 /nfs/dbraw/zinc/37/22/40/1035372240.db2.gz QSUXQYLIJAWVKW-MJGOQNOKSA-N 1 0 316.489 3.829 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cc(C)n[nH]2)cc1 ZINC001177920103 1035398480 /nfs/dbraw/zinc/39/84/80/1035398480.db2.gz QMHBGUMTHLDOOP-UHFFFAOYSA-N 1 0 300.450 3.634 20 10 DHCDRO CCCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC001178180920 1035412434 /nfs/dbraw/zinc/41/24/34/1035412434.db2.gz LXNBQMQGUWCDTR-UHFFFAOYSA-N 1 0 320.452 3.722 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000773732502 1035417671 /nfs/dbraw/zinc/41/76/71/1035417671.db2.gz CGGLRIJTKBYDIZ-UHFFFAOYSA-N 1 0 313.401 3.683 20 10 DHCDRO CCOc1cccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC001178231634 1035418216 /nfs/dbraw/zinc/41/82/16/1035418216.db2.gz GVMOJUDFUGDZON-VURMDHGXSA-N 1 0 324.468 3.997 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1F ZINC001178294908 1035421404 /nfs/dbraw/zinc/42/14/04/1035421404.db2.gz FUVYMJVKBBRAAD-INIZCTEOSA-N 1 0 308.441 3.721 20 10 DHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC001178369510 1035424275 /nfs/dbraw/zinc/42/42/75/1035424275.db2.gz KXTXWWQOUXKWOY-LJQANCHMSA-N 1 0 309.409 3.797 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1 ZINC000773756434 1035436348 /nfs/dbraw/zinc/43/63/48/1035436348.db2.gz ILRRJHXZWXUTOW-MRXNPFEDSA-N 1 0 304.478 3.658 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000773750890 1035436361 /nfs/dbraw/zinc/43/63/61/1035436361.db2.gz FNQBCRFSNAQOEW-HXUWFJFHSA-N 1 0 312.457 3.698 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000773765157 1035443590 /nfs/dbraw/zinc/44/35/90/1035443590.db2.gz HHPPCHRYQXUEQG-UHFFFAOYSA-N 1 0 304.478 3.922 20 10 DHCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001178916900 1035454977 /nfs/dbraw/zinc/45/49/77/1035454977.db2.gz RADQJPYWTACIHH-UHFFFAOYSA-N 1 0 322.195 3.637 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cc(C)n1 ZINC001178972235 1035458950 /nfs/dbraw/zinc/45/89/50/1035458950.db2.gz QTUJFHUGBHUCEN-HNNXBMFYSA-N 1 0 311.473 3.794 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(Cl)c1 ZINC001179253861 1035471379 /nfs/dbraw/zinc/47/13/79/1035471379.db2.gz SPAOBVYYWWPPEV-HNNXBMFYSA-N 1 0 317.816 3.585 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC001179390255 1035476506 /nfs/dbraw/zinc/47/65/06/1035476506.db2.gz FFKOXJGZINSXIM-UYAOXDASSA-N 1 0 316.489 3.828 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOC2(CCC2)C1 ZINC001179621167 1035488282 /nfs/dbraw/zinc/48/82/82/1035488282.db2.gz LECQUAVFECQVOT-LJQANCHMSA-N 1 0 315.457 3.841 20 10 DHCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1C ZINC001193002662 1035528060 /nfs/dbraw/zinc/52/80/60/1035528060.db2.gz LUVTUKIEJUNUGG-UHFFFAOYSA-N 1 0 323.484 3.692 20 10 DHCDRO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775558392 1035534079 /nfs/dbraw/zinc/53/40/79/1035534079.db2.gz LRFRTDXLEWJTAF-LLVKDONJSA-N 1 0 315.804 3.783 20 10 DHCDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001180017608 1035569669 /nfs/dbraw/zinc/56/96/69/1035569669.db2.gz HXVUIBJRIVQYLE-LLVKDONJSA-N 1 0 302.434 3.604 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180042987 1035573221 /nfs/dbraw/zinc/57/32/21/1035573221.db2.gz NQJIOXOWLZKFFU-JKIFEVAISA-N 1 0 322.880 3.883 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001180120244 1035605187 /nfs/dbraw/zinc/60/51/87/1035605187.db2.gz GJCDRICTQRVITL-OAQYLSRUSA-N 1 0 324.468 3.943 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC001180213040 1035624219 /nfs/dbraw/zinc/62/42/19/1035624219.db2.gz NNHFNDNBHSZOHV-VOTSOKGWSA-N 1 0 321.468 3.718 20 10 DHCDRO Oc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001204279155 1035753942 /nfs/dbraw/zinc/75/39/42/1035753942.db2.gz RUIGHBNXNDBTKL-UHFFFAOYSA-N 1 0 315.388 3.692 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000153123898 1035756209 /nfs/dbraw/zinc/75/62/09/1035756209.db2.gz WEWAFTBZWYQIKI-QFBILLFUSA-N 1 0 302.462 3.897 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000773888877 1035800080 /nfs/dbraw/zinc/80/00/80/1035800080.db2.gz RUEUMANBVRGRBZ-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO CCCN(C[C@@H](OC)C1CCCCC1)c1ccc(C[NH3+])cc1 ZINC001181457116 1035917707 /nfs/dbraw/zinc/91/77/07/1035917707.db2.gz OGTMIDHSYHGSKV-LJQANCHMSA-N 1 0 304.478 3.957 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC001181688292 1035954664 /nfs/dbraw/zinc/95/46/64/1035954664.db2.gz RRCXLXYRKABXCD-UHFFFAOYSA-N 1 0 313.397 3.616 20 10 DHCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000773963132 1036075914 /nfs/dbraw/zinc/07/59/14/1036075914.db2.gz JJYFYHJRFLTNNL-SFHVURJKSA-N 1 0 323.408 3.515 20 10 DHCDRO COc1cc(C)c(C[NH2+]C[C@H]2CSc3ccccc32)c(O)c1 ZINC001181973170 1036077663 /nfs/dbraw/zinc/07/76/63/1036077663.db2.gz XAJSGURXXBZNST-ZDUSSCGKSA-N 1 0 315.438 3.688 20 10 DHCDRO Cc1cc(C[N@H+](C)Cc2ccccc2N(C)C)ccc1N(C)C ZINC001194890418 1036082206 /nfs/dbraw/zinc/08/22/06/1036082206.db2.gz HMTPICVJKCXWKO-UHFFFAOYSA-N 1 0 311.473 3.759 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1 ZINC000914582531 1036139535 /nfs/dbraw/zinc/13/95/35/1036139535.db2.gz UUNGPWWGJWUHQQ-UHFFFAOYSA-N 1 0 316.420 3.841 20 10 DHCDRO Cc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000775639594 1036151086 /nfs/dbraw/zinc/15/10/86/1036151086.db2.gz ZPKOUXRLDCGRDU-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])ncn1 ZINC000774266029 1036266855 /nfs/dbraw/zinc/26/68/55/1036266855.db2.gz MYJOREZWJCZIDW-SECBINFHSA-N 1 0 312.200 3.648 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cn[nH]c1 ZINC000774266929 1036267336 /nfs/dbraw/zinc/26/73/36/1036267336.db2.gz SKJDMZFGFXVMSL-SFYZADRCSA-N 1 0 300.189 3.834 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)cc1OC ZINC001182387044 1036268860 /nfs/dbraw/zinc/26/88/60/1036268860.db2.gz AOHRXMXGRXRIER-MELADBBJSA-N 1 0 307.434 3.714 20 10 DHCDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c1 ZINC000775659995 1036269855 /nfs/dbraw/zinc/26/98/55/1036269855.db2.gz QVTJYLQOKGWCEQ-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccn1C(F)F ZINC001182435306 1036295291 /nfs/dbraw/zinc/29/52/91/1036295291.db2.gz UDCUBGVXSQLMAV-CQSZACIVSA-N 1 0 321.415 3.978 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2c1c(F)ccc2O ZINC000774380174 1036307165 /nfs/dbraw/zinc/30/71/65/1036307165.db2.gz RKRJSRSJQHPBNV-INWMFGNUSA-N 1 0 318.436 3.686 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000192951091 1036340373 /nfs/dbraw/zinc/34/03/73/1036340373.db2.gz ZKPONPOFLNSTOB-CQSZACIVSA-N 1 0 307.434 3.791 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000774486031 1036356607 /nfs/dbraw/zinc/35/66/07/1036356607.db2.gz UPIGDTBFCDCQPR-NUTKFTJISA-N 1 0 315.388 3.711 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c1O ZINC000775709136 1036507257 /nfs/dbraw/zinc/50/72/57/1036507257.db2.gz QTEBYNDNNXCUPR-IBGZPJMESA-N 1 0 310.441 3.801 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1 ZINC000775724573 1036566069 /nfs/dbraw/zinc/56/60/69/1036566069.db2.gz MBWNZPSZVFSXEB-RDJZCZTQSA-N 1 0 311.425 3.854 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000775726668 1036574837 /nfs/dbraw/zinc/57/48/37/1036574837.db2.gz WBGVHWHMTCOMSQ-AWEZNQCLSA-N 1 0 309.837 3.603 20 10 DHCDRO CCc1cc(C[N@@H+]2CCOCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660853 1036648491 /nfs/dbraw/zinc/64/84/91/1036648491.db2.gz ROTREPRQZRHRFC-AWEZNQCLSA-N 1 0 305.462 3.863 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001184068409 1036730268 /nfs/dbraw/zinc/73/02/68/1036730268.db2.gz XQTGBWFTBIQFMJ-GOSISDBHSA-N 1 0 302.462 3.642 20 10 DHCDRO C[C@@H](CC1CCCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184217884 1036771738 /nfs/dbraw/zinc/77/17/38/1036771738.db2.gz JTVXKXKFZXTXCY-OXJNMPFZSA-N 1 0 317.521 3.914 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762614037 1036871769 /nfs/dbraw/zinc/87/17/69/1036871769.db2.gz MFPADIDKLACWKT-BNOWGMLFSA-N 1 0 315.891 3.515 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762614043 1036872824 /nfs/dbraw/zinc/87/28/24/1036872824.db2.gz MFPADIDKLACWKT-XBFCOCLRSA-N 1 0 315.891 3.515 20 10 DHCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762649540 1036895145 /nfs/dbraw/zinc/89/51/45/1036895145.db2.gz NNUHFROPBNSCQQ-HPUBIQBYSA-N 1 0 320.452 3.628 20 10 DHCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833822 1036990452 /nfs/dbraw/zinc/99/04/52/1036990452.db2.gz MVYGMWVDJUXYTH-OLZOCXBDSA-N 1 0 316.401 3.544 20 10 DHCDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834292 1036994805 /nfs/dbraw/zinc/99/48/05/1036994805.db2.gz QKFBKRBIRDSJLQ-JXFKEZNVSA-N 1 0 312.457 3.754 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1O ZINC000237414839 1037007043 /nfs/dbraw/zinc/00/70/43/1037007043.db2.gz IHEHNACUNNBGAB-CQSZACIVSA-N 1 0 319.401 3.867 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](c2cccs2)C2CC2)cc1OC ZINC000775852055 1037027433 /nfs/dbraw/zinc/02/74/33/1037027433.db2.gz XAHQEFQDGCKJRJ-QGZVFWFLSA-N 1 0 319.426 3.712 20 10 DHCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000774832203 1037046483 /nfs/dbraw/zinc/04/64/83/1037046483.db2.gz LASAEJNJAWVJLE-PXNSSMCTSA-N 1 0 311.425 3.964 20 10 DHCDRO Cc1nccn1CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000762916554 1037065777 /nfs/dbraw/zinc/06/57/77/1037065777.db2.gz HRKBWMMYRKYAIY-UHFFFAOYSA-N 1 0 314.477 3.558 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198706109 1037114438 /nfs/dbraw/zinc/11/44/38/1037114438.db2.gz NXJSMZZEAYNMFX-HXUWFJFHSA-N 1 0 310.441 3.716 20 10 DHCDRO COc1ccc(C[NH2+]CCCOc2ccccc2F)cc1C ZINC001199052201 1037186745 /nfs/dbraw/zinc/18/67/45/1037186745.db2.gz DRCXLZNXEXFTLM-UHFFFAOYSA-N 1 0 303.377 3.701 20 10 DHCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc2ccccc2c1O ZINC000322414768 1037207123 /nfs/dbraw/zinc/20/71/23/1037207123.db2.gz XEWBNFSKLUDXSU-CYBMUJFWSA-N 1 0 314.429 3.501 20 10 DHCDRO Cc1cc(O)c(CNC[C@@H](C(C)C)[NH+]2CCCC2)c(Cl)c1 ZINC001199161217 1037210619 /nfs/dbraw/zinc/21/06/19/1037210619.db2.gz IMGHFDHRGGAUHW-INIZCTEOSA-N 1 0 310.869 3.564 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825529582 1037342149 /nfs/dbraw/zinc/34/21/49/1037342149.db2.gz FFYNPSLSHGNDHU-SJORKVTESA-N 1 0 309.837 3.649 20 10 DHCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC001199830760 1037349815 /nfs/dbraw/zinc/34/98/15/1037349815.db2.gz SHMGOLKWEXHZPS-MSOLQXFVSA-N 1 0 302.462 3.506 20 10 DHCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C ZINC000784668953 1037461767 /nfs/dbraw/zinc/46/17/67/1037461767.db2.gz WXZRFDARWQCJJI-VQIMIIECSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1csc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000776163102 1037636414 /nfs/dbraw/zinc/63/64/14/1037636414.db2.gz OTCMKHWTJNVSLF-QMMMGPOBSA-N 1 0 300.786 3.800 20 10 DHCDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000776168468 1037673256 /nfs/dbraw/zinc/67/32/56/1037673256.db2.gz OYGVYENOBOCMDC-CVEARBPZSA-N 1 0 304.478 3.592 20 10 DHCDRO CC(F)(F)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000691500496 1037835749 /nfs/dbraw/zinc/83/57/49/1037835749.db2.gz GYMUYNVAYDEFFW-UHFFFAOYSA-N 1 0 308.166 3.680 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000776224791 1037930214 /nfs/dbraw/zinc/93/02/14/1037930214.db2.gz VZMYREBSEFJSAX-IMJJTQAJSA-N 1 0 309.837 3.647 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC001202010873 1037963273 /nfs/dbraw/zinc/96/32/73/1037963273.db2.gz RVVJNHCHNHOANH-KRWDZBQOSA-N 1 0 324.472 3.750 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1 ZINC000776257907 1038092536 /nfs/dbraw/zinc/09/25/36/1038092536.db2.gz PWWLPYAWIMKLKH-KRWDZBQOSA-N 1 0 318.505 3.811 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000156467594 1038122270 /nfs/dbraw/zinc/12/22/70/1038122270.db2.gz STGVCEYUBDFJQI-INIZCTEOSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000775365818 1038279900 /nfs/dbraw/zinc/27/99/00/1038279900.db2.gz XUWOCJXGCANCIG-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccccc2C)c1 ZINC000775365510 1038280218 /nfs/dbraw/zinc/28/02/18/1038280218.db2.gz VJDBZQIEOJMUAK-HNNXBMFYSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156962107 1038376461 /nfs/dbraw/zinc/37/64/61/1038376461.db2.gz BUJVLWLFLSFGLA-FUHWJXTLSA-N 1 0 318.486 3.763 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775413881 1038387987 /nfs/dbraw/zinc/38/79/87/1038387987.db2.gz DKIQGPHMPLRHIZ-SFHVURJKSA-N 1 0 307.397 3.819 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001191415988 1038500721 /nfs/dbraw/zinc/50/07/21/1038500721.db2.gz DIHAZYBSLHSWDB-NRFANRHFSA-N 1 0 323.484 3.853 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775483372 1038551196 /nfs/dbraw/zinc/55/11/96/1038551196.db2.gz SJFGIXAYWUXSQI-RDJZCZTQSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000775488569 1038561897 /nfs/dbraw/zinc/56/18/97/1038561897.db2.gz OMVPRLYDSPXHIM-XHSDSOJGSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1O ZINC000775509742 1038602091 /nfs/dbraw/zinc/60/20/91/1038602091.db2.gz QCAKWFHBDDPMMJ-IBGZPJMESA-N 1 0 324.468 3.532 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000775522200 1038624927 /nfs/dbraw/zinc/62/49/27/1038624927.db2.gz MAEOBEUMVFLYAI-HOCLYGCPSA-N 1 0 313.397 3.663 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775523008 1038628451 /nfs/dbraw/zinc/62/84/51/1038628451.db2.gz DBQRYBAHAHSNBL-HZPDHXFCSA-N 1 0 323.795 3.959 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000129815611 1039728235 /nfs/dbraw/zinc/72/82/35/1039728235.db2.gz BNSCJFJQLYASKS-QGZVFWFLSA-N 1 0 317.816 3.649 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000062423666 1039774671 /nfs/dbraw/zinc/77/46/71/1039774671.db2.gz SWMWRJQIMHFQFR-QGZVFWFLSA-N 1 0 316.445 3.769 20 10 DHCDRO CCSCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000231395733 1040228712 /nfs/dbraw/zinc/22/87/12/1040228712.db2.gz GFMXKDXZCICXHP-JTQLQIEISA-N 1 0 318.280 3.776 20 10 DHCDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371145 1040605079 /nfs/dbraw/zinc/60/50/79/1040605079.db2.gz SJBNZULRHMIMCQ-SJKOYZFVSA-N 1 0 304.821 3.788 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnccc2C)c1O ZINC000761214669 1040653911 /nfs/dbraw/zinc/65/39/11/1040653911.db2.gz DXBGLWOEVBRXRA-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000228674690 1041049480 /nfs/dbraw/zinc/04/94/80/1041049480.db2.gz NPEHPPGTTWWNFH-MRVPVSSYSA-N 1 0 310.781 3.510 20 10 DHCDRO CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090113025 185282609 /nfs/dbraw/zinc/28/26/09/185282609.db2.gz SZPMMWXGXQJSTF-QGZVFWFLSA-N 1 0 322.518 3.706 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(SC)CCOCC2)cc1 ZINC000090113693 185282734 /nfs/dbraw/zinc/28/27/34/185282734.db2.gz OBVOTKVTMURZRR-HNNXBMFYSA-N 1 0 322.518 3.706 20 10 DHCDRO CC[C@H]([NH2+]CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC000271539964 129932170 /nfs/dbraw/zinc/93/21/70/129932170.db2.gz UDZAYNNGNHALIN-INIZCTEOSA-N 1 0 303.475 3.883 20 10 DHCDRO COCC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000272132261 130001673 /nfs/dbraw/zinc/00/16/73/130001673.db2.gz ARIKTJDWTSJYIQ-INIZCTEOSA-N 1 0 320.408 3.661 20 10 DHCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272249177 130011915 /nfs/dbraw/zinc/01/19/15/130011915.db2.gz IAPYLSSUJWOVJH-CYBMUJFWSA-N 1 0 301.361 3.529 20 10 DHCDRO COCC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000272359263 130022969 /nfs/dbraw/zinc/02/29/69/130022969.db2.gz VXMAZWWHKCSQOY-INIZCTEOSA-N 1 0 303.402 3.772 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](CCOC)c2ccco2)c(O)c1 ZINC000272615061 130046717 /nfs/dbraw/zinc/04/67/17/130046717.db2.gz VDUMHWZYTKWZIG-MRXNPFEDSA-N 1 0 319.401 3.641 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(O)c1C ZINC000273364236 130111599 /nfs/dbraw/zinc/11/15/99/130111599.db2.gz BADIDELUJKIMAX-FUHWJXTLSA-N 1 0 313.441 3.826 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000273388761 130115537 /nfs/dbraw/zinc/11/55/37/130115537.db2.gz KDNOZVPVKVYSCU-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273434889 130120465 /nfs/dbraw/zinc/12/04/65/130120465.db2.gz WQDJMQFGFZFXCE-AWEZNQCLSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1cccc(C2([NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000273489456 130127986 /nfs/dbraw/zinc/12/79/86/130127986.db2.gz OBHMVZUOYKAAHA-ZDUSSCGKSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000273503422 130129236 /nfs/dbraw/zinc/12/92/36/130129236.db2.gz QNLIKTHCIUQVJF-DCGLDWPTSA-N 1 0 307.434 3.645 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527025 130132257 /nfs/dbraw/zinc/13/22/57/130132257.db2.gz VMXMTMKTHLTGMW-OLZOCXBDSA-N 1 0 302.422 3.662 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273532215 130133422 /nfs/dbraw/zinc/13/34/22/130133422.db2.gz WRQGGUPRQUMEHZ-RBSFLKMASA-N 1 0 303.446 3.737 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)c1 ZINC000273530961 130133439 /nfs/dbraw/zinc/13/34/39/130133439.db2.gz WJMDWYWDHDXSDF-SUMWQHHRSA-N 1 0 313.397 3.802 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2O)o1 ZINC000273591944 130142364 /nfs/dbraw/zinc/14/23/64/130142364.db2.gz PNMUSEUQCYDHKO-CXAGYDPISA-N 1 0 311.381 3.831 20 10 DHCDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273618462 130145170 /nfs/dbraw/zinc/14/51/70/130145170.db2.gz YJIFWPWHGBHVID-RKDXNWHRSA-N 1 0 311.731 3.664 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000273723058 130159010 /nfs/dbraw/zinc/15/90/10/130159010.db2.gz ITCNHYNUPADBFP-AWEZNQCLSA-N 1 0 306.793 3.719 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CCO2 ZINC000274405986 130232172 /nfs/dbraw/zinc/23/21/72/130232172.db2.gz RBHOEMIZXJELLQ-DYVFJYSZSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284252403 131064232 /nfs/dbraw/zinc/06/42/32/131064232.db2.gz FTKXDJJFWCDLKG-NSHDSACASA-N 1 0 308.328 3.548 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1 ZINC000284297330 131067429 /nfs/dbraw/zinc/06/74/29/131067429.db2.gz YMDTZEOXXMHDKS-CXAGYDPISA-N 1 0 305.443 3.629 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1O ZINC000286870090 131253523 /nfs/dbraw/zinc/25/35/23/131253523.db2.gz BRZBVGAOPADQJK-LRDDRELGSA-N 1 0 305.805 3.820 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373585 131322607 /nfs/dbraw/zinc/32/26/07/131322607.db2.gz FICFLHUPEKWKSS-KRWDZBQOSA-N 1 0 319.832 3.876 20 10 DHCDRO CCCC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1O ZINC000289546010 131394799 /nfs/dbraw/zinc/39/47/99/131394799.db2.gz FWYSHFDSEMPOKV-ZDUSSCGKSA-N 1 0 320.458 3.704 20 10 DHCDRO COc1cc(Cl)ccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297654490 132027600 /nfs/dbraw/zinc/02/76/00/132027600.db2.gz KIUWENWKYJZKKW-AWEZNQCLSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(-n2cccn2)cc1 ZINC000297957747 132042273 /nfs/dbraw/zinc/04/22/73/132042273.db2.gz ZCARLVYRJRSGAQ-KSSFIOAISA-N 1 0 319.408 3.916 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000119659177 132135387 /nfs/dbraw/zinc/13/53/87/132135387.db2.gz AVTUJFAWDNCZAM-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000129713518 332020264 /nfs/dbraw/zinc/02/02/64/332020264.db2.gz AUYMSMOBZLBBMT-MRXNPFEDSA-N 1 0 300.358 3.584 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000129713269 332020295 /nfs/dbraw/zinc/02/02/95/332020295.db2.gz AUYMSMOBZLBBMT-INIZCTEOSA-N 1 0 300.358 3.584 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719134 333142887 /nfs/dbraw/zinc/14/28/87/333142887.db2.gz ARKYVSVACXWMGV-ACJLOTCBSA-N 1 0 300.450 3.596 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261827 333206523 /nfs/dbraw/zinc/20/65/23/333206523.db2.gz QKBQOZVPHFLHQU-AWEZNQCLSA-N 1 0 312.413 3.735 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630161 333210857 /nfs/dbraw/zinc/21/08/57/333210857.db2.gz DOFMKLNRCAKQAI-BXUZGUMPSA-N 1 0 309.793 3.985 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000294986482 335129581 /nfs/dbraw/zinc/12/95/81/335129581.db2.gz KFFGXSSTJZIFCK-YPMHNXCESA-N 1 0 317.351 3.954 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295041574 335130099 /nfs/dbraw/zinc/13/00/99/335130099.db2.gz DXRUGEKYTUXARU-UHFFFAOYSA-N 1 0 309.837 3.563 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000194949594 333318199 /nfs/dbraw/zinc/31/81/99/333318199.db2.gz WGIQLDRKWCDYFD-UHFFFAOYSA-N 1 0 317.816 3.529 20 10 DHCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000295883844 335138477 /nfs/dbraw/zinc/13/84/77/335138477.db2.gz BLZCBMDVZYZQNH-KRWDZBQOSA-N 1 0 317.454 3.532 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1O ZINC000295940037 335138728 /nfs/dbraw/zinc/13/87/28/335138728.db2.gz GQVKYRHQPRESPJ-MRXNPFEDSA-N 1 0 305.443 3.612 20 10 DHCDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000296335859 335143581 /nfs/dbraw/zinc/14/35/81/335143581.db2.gz GQEXIQLAOMGNMC-MAUKXSAKSA-N 1 0 317.816 3.530 20 10 DHCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296636439 335145213 /nfs/dbraw/zinc/14/52/13/335145213.db2.gz BTKGIDUCVMVHOC-IRXDYDNUSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296643001 335145436 /nfs/dbraw/zinc/14/54/36/335145436.db2.gz CGHIROOFUPDPAS-UWVGGRQHSA-N 1 0 306.233 3.758 20 10 DHCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296546252 335146127 /nfs/dbraw/zinc/14/61/27/335146127.db2.gz REVUPAMSWXYLFW-HZPDHXFCSA-N 1 0 304.478 3.877 20 10 DHCDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296734328 335147803 /nfs/dbraw/zinc/14/78/03/335147803.db2.gz JSYKRYLWZYWUKX-OAHLLOKOSA-N 1 0 318.486 3.635 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271362380 334021403 /nfs/dbraw/zinc/02/14/03/334021403.db2.gz NPNMQTASPHGNMK-GDBMZVCRSA-N 1 0 303.427 3.542 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc2ccccc2c1O ZINC000278983491 334104542 /nfs/dbraw/zinc/10/45/42/334104542.db2.gz PCWJDWKURIMRIA-GJZGRUSLSA-N 1 0 321.424 3.655 20 10 DHCDRO CC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1O ZINC000192931128 336284672 /nfs/dbraw/zinc/28/46/72/336284672.db2.gz XKKSVZPQNGZOIQ-MRXNPFEDSA-N 1 0 309.413 3.873 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2COc3cccc(Cl)c32)c1O ZINC000367961589 336833175 /nfs/dbraw/zinc/83/31/75/336833175.db2.gz HREDVVXYVGFBKT-CYBMUJFWSA-N 1 0 319.788 3.668 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000372595976 336935308 /nfs/dbraw/zinc/93/53/08/336935308.db2.gz RJMKLJCHPCEQHX-HNNXBMFYSA-N 1 0 315.417 3.588 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374472962 336990022 /nfs/dbraw/zinc/99/00/22/336990022.db2.gz SBZAHRLYLGJERO-KBXCAEBGSA-N 1 0 317.816 3.913 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256590 337006593 /nfs/dbraw/zinc/00/65/93/337006593.db2.gz SUJQRTGGXMKBLT-ICSRJNTNSA-N 1 0 309.409 3.975 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255465 337006699 /nfs/dbraw/zinc/00/66/99/337006699.db2.gz GNAJJCICETUFCD-DOTOQJQBSA-N 1 0 313.445 3.532 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c(O)c1C ZINC000376896728 337043483 /nfs/dbraw/zinc/04/34/83/337043483.db2.gz OZFGDCHRZDKPPU-RHSMWYFYSA-N 1 0 324.424 3.786 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183551499 337192154 /nfs/dbraw/zinc/19/21/54/337192154.db2.gz VQIMMWMPGJTSBG-QWHCGFSZSA-N 1 0 318.367 3.600 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1O ZINC000185209310 337203270 /nfs/dbraw/zinc/20/32/70/337203270.db2.gz LDCVNQUUGIKPQR-QGZVFWFLSA-N 1 0 307.397 3.819 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112796 337253801 /nfs/dbraw/zinc/25/38/01/337253801.db2.gz AXIJDUCEJDYCCC-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1O ZINC000248517766 337564223 /nfs/dbraw/zinc/56/42/23/337564223.db2.gz PLYMYSPTHOBIDY-AADNMHCOSA-N 1 0 305.393 3.530 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000248482925 337565443 /nfs/dbraw/zinc/56/54/43/337565443.db2.gz CJLLJLLJICKMCQ-BJVKYNJZSA-N 1 0 309.409 3.637 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(F)ccc1O ZINC000527954159 337774077 /nfs/dbraw/zinc/77/40/77/337774077.db2.gz YTXMMVUKYLYADC-CJNGLKHVSA-N 1 0 306.425 3.589 20 10 DHCDRO COCC1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000449294872 338610384 /nfs/dbraw/zinc/61/03/84/338610384.db2.gz NVCSCSSCXPTTGL-UHFFFAOYSA-N 1 0 300.446 3.782 20 10 DHCDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000530215878 340782816 /nfs/dbraw/zinc/78/28/16/340782816.db2.gz JVPFICWXZCAEPV-YMTOWFKASA-N 1 0 315.244 3.634 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc2ccccc2c1O ZINC000273528168 341636124 /nfs/dbraw/zinc/63/61/24/341636124.db2.gz VWSSFLIRRSMCJA-AWEZNQCLSA-N 1 0 301.430 3.995 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000323909036 341704958 /nfs/dbraw/zinc/70/49/58/341704958.db2.gz RUTOXLPZKQJRRB-BLLLJJGKSA-N 1 0 313.397 3.748 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)CC2 ZINC000296123234 341715949 /nfs/dbraw/zinc/71/59/49/341715949.db2.gz VLECDWBBMQLLCG-AWEZNQCLSA-N 1 0 305.324 3.771 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cn1 ZINC000155748233 520372348 /nfs/dbraw/zinc/37/23/48/520372348.db2.gz XOEQTOLMWSXPIV-INIZCTEOSA-N 1 0 300.402 3.817 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccccc1O ZINC000156409014 522743815 /nfs/dbraw/zinc/74/38/15/522743815.db2.gz VWINWMIWAZZQSK-ZWKOTPCHSA-N 1 0 315.413 3.565 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000127081054 522863563 /nfs/dbraw/zinc/86/35/63/522863563.db2.gz HLUOVHOPCGSMTM-WBVHZDCISA-N 1 0 323.795 3.959 20 10 DHCDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)ccc1F ZINC000154417854 522945444 /nfs/dbraw/zinc/94/54/44/522945444.db2.gz VMLFSYNHQATVEV-ZDUSSCGKSA-N 1 0 314.404 3.677 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000129902561 524619954 /nfs/dbraw/zinc/61/99/54/524619954.db2.gz GBCBRKOHUUHCCL-SJKOYZFVSA-N 1 0 305.805 3.647 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000188060534 524774546 /nfs/dbraw/zinc/77/45/46/524774546.db2.gz NCQTZFJVCGEZAF-ZBEGNZNMSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1C ZINC000156543237 525315652 /nfs/dbraw/zinc/31/56/52/525315652.db2.gz QSBJNYJWPVMFPM-CQSZACIVSA-N 1 0 302.443 3.845 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180285520 525340049 /nfs/dbraw/zinc/34/00/49/525340049.db2.gz FHPWJQBIYNZLLY-PEBXRYMYSA-N 1 0 317.454 3.631 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000184973186 525365524 /nfs/dbraw/zinc/36/55/24/525365524.db2.gz OJFZQCJEBSGOIV-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1O ZINC000188047542 525626081 /nfs/dbraw/zinc/62/60/81/525626081.db2.gz GCHLWDCFELLIBQ-BONVTDFDSA-N 1 0 305.324 3.845 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N2CCCCC2)cc1 ZINC000188015365 525638242 /nfs/dbraw/zinc/63/82/42/525638242.db2.gz PWXJXHUSGOYFQO-YVWKXTFCSA-N 1 0 316.489 3.879 20 10 DHCDRO Oc1cccc(Cl)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000267247895 526362815 /nfs/dbraw/zinc/36/28/15/526362815.db2.gz YTXNSFOCVYFJDZ-UHFFFAOYSA-N 1 0 308.853 3.542 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(OC)c(OC)c1 ZINC000285519448 535805409 /nfs/dbraw/zinc/80/54/09/535805409.db2.gz OFDFHJXPWKTVRF-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO COCC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624379 536817660 /nfs/dbraw/zinc/81/76/60/536817660.db2.gz YXECOIWOUJZUOS-PBHICJAKSA-N 1 0 302.418 3.774 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)c2c1 ZINC000777965691 1032060221 /nfs/dbraw/zinc/06/02/21/1032060221.db2.gz FGCASYDLSNBMMI-PXAZEXFGSA-N 1 0 303.377 3.734 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CC(C)(C)CO2)C2CC2)cc1 ZINC001167107661 1013149079 /nfs/dbraw/zinc/14/90/79/1013149079.db2.gz FVCQIRQSULOTMZ-SFHVURJKSA-N 1 0 302.462 3.532 20 10 DHCDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 ZINC000296854964 1013217592 /nfs/dbraw/zinc/21/75/92/1013217592.db2.gz NLBALKIZWVNPGB-JKSUJKDBSA-N 1 0 319.351 3.635 20 10 DHCDRO CN(Cc1nccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000155250326 1013325178 /nfs/dbraw/zinc/32/51/78/1013325178.db2.gz IGKCHZCUZMHJLX-UHFFFAOYSA-N 1 0 301.459 3.765 20 10 DHCDRO COc1cccc(C[NH2+]C2CC(c3ccc(F)cc3F)C2)c1O ZINC000894458258 1013371546 /nfs/dbraw/zinc/37/15/46/1013371546.db2.gz PJRYJKZVQIYGAY-UHFFFAOYSA-N 1 0 319.351 3.715 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000155410495 1013463233 /nfs/dbraw/zinc/46/32/33/1013463233.db2.gz CWCJTJKIHGCTGN-FPTDNZKUSA-N 1 0 317.454 3.592 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894783570 1013489147 /nfs/dbraw/zinc/48/91/47/1013489147.db2.gz VSQSSEZDWHGHDB-ZDUSSCGKSA-N 1 0 312.413 3.610 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925082051 1013504245 /nfs/dbraw/zinc/50/42/45/1013504245.db2.gz UDXCDXRXNWGFLA-HNNXBMFYSA-N 1 0 312.461 3.833 20 10 DHCDRO COc1cc(C)cc(CNc2ccc(C[NH+](C)C)c(C)c2)c1O ZINC000894984994 1013766581 /nfs/dbraw/zinc/76/65/81/1013766581.db2.gz MJDWYZZFRDAGNM-UHFFFAOYSA-N 1 0 314.429 3.691 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(COC)c2)cc1 ZINC000077289199 1013856678 /nfs/dbraw/zinc/85/66/78/1013856678.db2.gz WRPAPSVTXJKWHK-UHFFFAOYSA-N 1 0 312.457 3.969 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cnn(C2CCC2)c1 ZINC000925104199 1013883963 /nfs/dbraw/zinc/88/39/63/1013883963.db2.gz WJJKEJPJQPOVRC-GFCCVEGCSA-N 1 0 322.503 3.898 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000079121648 1013895250 /nfs/dbraw/zinc/89/52/50/1013895250.db2.gz PFGWMRGCYIWTGJ-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO Cc1cccc(C)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431229 1014302318 /nfs/dbraw/zinc/30/23/18/1014302318.db2.gz NGJUZKHJVGAVLC-UHFFFAOYSA-N 1 0 309.457 3.667 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000178995295 1014409281 /nfs/dbraw/zinc/40/92/81/1014409281.db2.gz WQFYYSRAFVRYNS-IBGZPJMESA-N 1 0 310.441 3.592 20 10 DHCDRO C[NH+](C)CCc1ccccc1NCc1cccc(Cl)c1O ZINC000276022670 1014542782 /nfs/dbraw/zinc/54/27/82/1014542782.db2.gz QVBWFSFKKGXVDG-UHFFFAOYSA-N 1 0 304.821 3.762 20 10 DHCDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1O ZINC000783504618 1014693117 /nfs/dbraw/zinc/69/31/17/1014693117.db2.gz HRXSXRXBTOZDQN-KBPBESRZSA-N 1 0 313.397 3.793 20 10 DHCDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000834881623 1014932599 /nfs/dbraw/zinc/93/25/99/1014932599.db2.gz CBALYVCWXJEBNP-YGRLFVJLSA-N 1 0 316.239 3.620 20 10 DHCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000320218991 1015119122 /nfs/dbraw/zinc/11/91/22/1015119122.db2.gz SOVGDGGBXCBICU-HUUCEWRRSA-N 1 0 300.446 3.925 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1O ZINC000895440995 1015152023 /nfs/dbraw/zinc/15/20/23/1015152023.db2.gz WNRXELMJDJTZJE-UHFFFAOYSA-N 1 0 321.461 3.925 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)CC(F)F)c1O ZINC000895534546 1015191829 /nfs/dbraw/zinc/19/18/29/1015191829.db2.gz JHVOUOBNPVYFFH-UHFFFAOYSA-N 1 0 307.768 3.825 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000895579618 1015215297 /nfs/dbraw/zinc/21/52/97/1015215297.db2.gz BAYIBXWEEZONEZ-UHFFFAOYSA-N 1 0 316.348 3.552 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895690307 1015258325 /nfs/dbraw/zinc/25/83/25/1015258325.db2.gz FOBCTDGNMPPPDS-AEFFLSMTSA-N 1 0 315.388 3.824 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2Cl)c(O)c1OC ZINC000891477356 1015311745 /nfs/dbraw/zinc/31/17/45/1015311745.db2.gz JGSVDWNAQSSAFE-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000895821912 1015316695 /nfs/dbraw/zinc/31/66/95/1015316695.db2.gz LNWDZORSNFZFKD-SFHVURJKSA-N 1 0 319.445 3.538 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1O ZINC000895850953 1015333518 /nfs/dbraw/zinc/33/35/18/1015333518.db2.gz HDZXAAGKTUOPCB-SECBINFHSA-N 1 0 316.348 3.804 20 10 DHCDRO COc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)c(O)c1OC ZINC000891525546 1015353266 /nfs/dbraw/zinc/35/32/66/1015353266.db2.gz WDEXSDPCDSZIPC-NSHDSACASA-N 1 0 319.426 3.590 20 10 DHCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140461852 1015440408 /nfs/dbraw/zinc/44/04/08/1015440408.db2.gz VUFXNVOVWGBMPN-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000178232742 1015495309 /nfs/dbraw/zinc/49/53/09/1015495309.db2.gz YZFQLBWBXQIEFX-OAHLLOKOSA-N 1 0 310.441 3.581 20 10 DHCDRO COc1ccc(C[N@H+]([C@H](C)c2ccco2)C2CC2)c(O)c1OC ZINC000891802113 1015636680 /nfs/dbraw/zinc/63/66/80/1015636680.db2.gz NXOFKYLCHZSPIB-GFCCVEGCSA-N 1 0 317.385 3.728 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2C)cc1OC ZINC000896801715 1015751241 /nfs/dbraw/zinc/75/12/41/1015751241.db2.gz QQJTWVCCNMENNQ-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO Cc1cccc(CN2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000216348613 1015764615 /nfs/dbraw/zinc/76/46/15/1015764615.db2.gz CPAZJYIUBIDRTB-UHFFFAOYSA-N 1 0 324.468 3.635 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)OC(C)(C)C3)c2c1 ZINC000065224450 1016010728 /nfs/dbraw/zinc/01/07/28/1016010728.db2.gz DPVINGJEUSCXTH-CYBMUJFWSA-N 1 0 315.413 3.553 20 10 DHCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000135460194 1016105369 /nfs/dbraw/zinc/10/53/69/1016105369.db2.gz AFMYCJASUNZTIT-CYBMUJFWSA-N 1 0 313.850 3.576 20 10 DHCDRO CCC[N@H+](CCC(C)(C)CC(=O)OCC)Cc1ccccc1O ZINC001167522197 1016295071 /nfs/dbraw/zinc/29/50/71/1016295071.db2.gz UTAWMMFYMVAIDD-UHFFFAOYSA-N 1 0 321.461 3.974 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1O ZINC000184835226 1016389004 /nfs/dbraw/zinc/38/90/04/1016389004.db2.gz LTICMHLIEYOKGQ-SJCJKPOMSA-N 1 0 320.383 3.624 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000184998684 1016490810 /nfs/dbraw/zinc/49/08/10/1016490810.db2.gz YRARBMVJBWRLHP-IAGOWNOFSA-N 1 0 310.441 3.878 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c1 ZINC000185025007 1016501059 /nfs/dbraw/zinc/50/10/59/1016501059.db2.gz IOWJZYGTZAHALQ-CABCVRRESA-N 1 0 314.429 3.576 20 10 DHCDRO COc1ccc(CCC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185095047 1016546947 /nfs/dbraw/zinc/54/69/47/1016546947.db2.gz KFDWPVWLXIVGOY-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000185103925 1016565037 /nfs/dbraw/zinc/56/50/37/1016565037.db2.gz DFAWFMBITTXTAR-CHWSQXEVSA-N 1 0 303.377 3.822 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000113332112 1016906820 /nfs/dbraw/zinc/90/68/20/1016906820.db2.gz LWGUUDNPEDBREV-INIZCTEOSA-N 1 0 303.402 3.797 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000113330950 1016907564 /nfs/dbraw/zinc/90/75/64/1016907564.db2.gz TZMNLTHPLKOPNU-UHFFFAOYSA-N 1 0 308.784 3.541 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)c1 ZINC000185555862 1017004589 /nfs/dbraw/zinc/00/45/89/1017004589.db2.gz ZRGFXVDZEHLXMN-CHWSQXEVSA-N 1 0 305.443 3.992 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c(O)c1 ZINC000185576320 1017020865 /nfs/dbraw/zinc/02/08/65/1017020865.db2.gz LEDFLZQZNJYCDH-ZIAGYGMSSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185574267 1017024286 /nfs/dbraw/zinc/02/42/86/1017024286.db2.gz INPPNBOJSPEJGI-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185574283 1017024298 /nfs/dbraw/zinc/02/42/98/1017024298.db2.gz INPPNBOJSPEJGI-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1 ZINC000185577271 1017029556 /nfs/dbraw/zinc/02/95/56/1017029556.db2.gz YQOIMDDCOJNSLG-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185578720 1017030390 /nfs/dbraw/zinc/03/03/90/1017030390.db2.gz LLIKUGDAIZONHZ-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000192744767 1017054023 /nfs/dbraw/zinc/05/40/23/1017054023.db2.gz ALTNKDHANDOXKM-CQSZACIVSA-N 1 0 309.413 3.710 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000294792426 1032155519 /nfs/dbraw/zinc/15/55/19/1032155519.db2.gz VHPXJGVZPMFYEE-HNNXBMFYSA-N 1 0 313.800 3.624 20 10 DHCDRO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000846975943 1032175331 /nfs/dbraw/zinc/17/53/31/1032175331.db2.gz SJIYDBQHKVAGJW-SFHVURJKSA-N 1 0 309.457 3.754 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772978621 1032257013 /nfs/dbraw/zinc/25/70/13/1032257013.db2.gz GVZSLAPQMOKCDX-QRWLVFNGSA-N 1 0 310.441 3.717 20 10 DHCDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475196810 1017072060 /nfs/dbraw/zinc/07/20/60/1017072060.db2.gz RKECMAWZEAVKHQ-NVXWUHKLSA-N 1 0 300.446 3.782 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1O ZINC001171330429 1032391218 /nfs/dbraw/zinc/39/12/18/1032391218.db2.gz BZPVPQGPRJCLSE-AWEZNQCLSA-N 1 0 305.393 3.746 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCCCC2)cc1 ZINC000090454602 1032401162 /nfs/dbraw/zinc/40/11/62/1032401162.db2.gz LAHZLAQLTOVZQB-YJBOKZPZSA-N 1 0 324.472 3.608 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000840880209 1017301716 /nfs/dbraw/zinc/30/17/16/1017301716.db2.gz JHSHYCBEAAWSFE-YJBOKZPZSA-N 1 0 317.404 3.657 20 10 DHCDRO CC(C)C([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000773082395 1032553424 /nfs/dbraw/zinc/55/34/24/1032553424.db2.gz VSONIBSQMYSFHW-OAHLLOKOSA-N 1 0 322.468 3.994 20 10 DHCDRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000773118202 1032564227 /nfs/dbraw/zinc/56/42/27/1032564227.db2.gz NFBQAPDKNBHYFT-AWEZNQCLSA-N 1 0 324.415 3.752 20 10 DHCDRO Oc1cc2ccccc2cc1CNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171399096 1032582681 /nfs/dbraw/zinc/58/26/81/1032582681.db2.gz CAZKJJOCLAGNJV-GOSISDBHSA-N 1 0 319.408 3.977 20 10 DHCDRO CCC(=O)Nc1cc(NCc2cc3ccccc3cc2O)cc[nH+]1 ZINC001171406113 1032593438 /nfs/dbraw/zinc/59/34/38/1032593438.db2.gz HLEOKTYTZZMMGM-UHFFFAOYSA-N 1 0 321.380 3.901 20 10 DHCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000773254720 1032661120 /nfs/dbraw/zinc/66/11/20/1032661120.db2.gz GCROJQKRTDQHCO-AWEZNQCLSA-N 1 0 311.491 3.969 20 10 DHCDRO CCn1c(C[NH2+]Cc2ccc(N(C)C)cc2C)nc2ccccc21 ZINC000115629553 1032683835 /nfs/dbraw/zinc/68/38/35/1032683835.db2.gz BVQBFJXDECOGKL-UHFFFAOYSA-N 1 0 322.456 3.720 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000185979992 1017594084 /nfs/dbraw/zinc/59/40/84/1017594084.db2.gz BCWIWLYWTPISSR-UONOGXRCSA-N 1 0 322.449 3.655 20 10 DHCDRO CCOc1ccccc1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185985802 1017599116 /nfs/dbraw/zinc/59/91/16/1017599116.db2.gz XBZIXAXEILMWPN-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001171456480 1032717638 /nfs/dbraw/zinc/71/76/38/1032717638.db2.gz BIUSFAXNCIKLLK-FZMZJTMJSA-N 1 0 303.352 3.879 20 10 DHCDRO COc1ccc(C[N@H+](Cc2cccc(OC)c2O)C2CC2)cc1 ZINC000120728085 1017788379 /nfs/dbraw/zinc/78/83/79/1017788379.db2.gz WCHDKQCJRICROG-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000125823780 1032723593 /nfs/dbraw/zinc/72/35/93/1032723593.db2.gz HRUIILKILSZLMM-CYBMUJFWSA-N 1 0 301.386 3.602 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c(O)c1 ZINC000186149158 1017959094 /nfs/dbraw/zinc/95/90/94/1017959094.db2.gz YHGMRMDLXUUGMS-CQSZACIVSA-N 1 0 323.396 3.644 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCc2occc21 ZINC000701060488 1017996434 /nfs/dbraw/zinc/99/64/34/1017996434.db2.gz TVWSREVZWGYUQZ-ZDUSSCGKSA-N 1 0 322.202 3.915 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000113312449 1018015194 /nfs/dbraw/zinc/01/51/94/1018015194.db2.gz RGLFAHZDFOILPN-OAHLLOKOSA-N 1 0 320.820 3.565 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010824 1032740267 /nfs/dbraw/zinc/74/02/67/1032740267.db2.gz NFHWCLDIXPOUPV-GOSISDBHSA-N 1 0 324.424 3.708 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000701921891 1018124098 /nfs/dbraw/zinc/12/40/98/1018124098.db2.gz AOKYGPZUHRSWQC-KBPBESRZSA-N 1 0 322.449 3.607 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000701920905 1018124135 /nfs/dbraw/zinc/12/41/35/1018124135.db2.gz TYMCBAQYNSUCPO-UKRRQHHQSA-N 1 0 322.449 3.688 20 10 DHCDRO CC[C@@H]([NH2+][C@@]1(CO)CCCc2ccccc21)c1ccccc1O ZINC000367328571 1018151648 /nfs/dbraw/zinc/15/16/48/1018151648.db2.gz ZVIKCAYMMRMRTC-UYAOXDASSA-N 1 0 311.425 3.657 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000278177912 1018285499 /nfs/dbraw/zinc/28/54/99/1018285499.db2.gz BIHXILNXAFEUFL-HNNXBMFYSA-N 1 0 309.457 3.877 20 10 DHCDRO Cn1cc(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000263692126 1032754367 /nfs/dbraw/zinc/75/43/67/1032754367.db2.gz CRTMKOZUOQRMJM-UHFFFAOYSA-N 1 0 321.424 3.515 20 10 DHCDRO CCCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764514060 1018303656 /nfs/dbraw/zinc/30/36/56/1018303656.db2.gz IZALVSUTLCGKOH-HNNXBMFYSA-N 1 0 308.441 3.893 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764716721 1018355423 /nfs/dbraw/zinc/35/54/23/1018355423.db2.gz JWPYTXYDFVJKOC-VQIMIIECSA-N 1 0 312.457 3.651 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000764821618 1018391236 /nfs/dbraw/zinc/39/12/36/1018391236.db2.gz BAXZBFVKEUCPHV-FQEVSTJZSA-N 1 0 312.457 3.698 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1)N1CCCC1 ZINC000764868807 1018409506 /nfs/dbraw/zinc/40/95/06/1018409506.db2.gz JBQKSOCVNMNEBZ-WMZOPIPTSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCC[C@@H]1C ZINC000764930452 1018431910 /nfs/dbraw/zinc/43/19/10/1018431910.db2.gz SQTOMHQVLNFZIZ-BBWFWOEESA-N 1 0 303.494 3.666 20 10 DHCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706829924 1018762391 /nfs/dbraw/zinc/76/23/91/1018762391.db2.gz GXSYRNWGZNJNRR-ZJUUUORDSA-N 1 0 316.264 3.528 20 10 DHCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765475412 1018801004 /nfs/dbraw/zinc/80/10/04/1018801004.db2.gz TYQZTGARPYUQBI-NVXWUHKLSA-N 1 0 322.468 3.874 20 10 DHCDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000186483298 1018837169 /nfs/dbraw/zinc/83/71/69/1018837169.db2.gz LDLZJWXWKLNTMB-QGZVFWFLSA-N 1 0 316.489 3.880 20 10 DHCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(F)(F)F ZINC000858177360 1032792243 /nfs/dbraw/zinc/79/22/43/1032792243.db2.gz BZPWGNSEFGWWNC-SECBINFHSA-N 1 0 310.310 3.709 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278623445 1018944178 /nfs/dbraw/zinc/94/41/78/1018944178.db2.gz RQYLQWYARQGWLA-RVKKMQEKSA-N 1 0 320.452 3.892 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)c(C)c1OC ZINC000922972250 1018957838 /nfs/dbraw/zinc/95/78/38/1018957838.db2.gz PLDUSUANMWYDIJ-UHFFFAOYSA-N 1 0 315.413 3.624 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c1O ZINC000923026670 1018990137 /nfs/dbraw/zinc/99/01/37/1018990137.db2.gz WIICABFEBXDQQN-IBGZPJMESA-N 1 0 313.397 3.578 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1F ZINC000858196709 1032800974 /nfs/dbraw/zinc/80/09/74/1032800974.db2.gz XOVOQIALCVDSKT-SNVBAGLBSA-N 1 0 323.214 3.704 20 10 DHCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765631599 1019015379 /nfs/dbraw/zinc/01/53/79/1019015379.db2.gz STPRMKFSZAOOQW-LSDHHAIUSA-N 1 0 308.441 3.892 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765955577 1019114547 /nfs/dbraw/zinc/11/45/47/1019114547.db2.gz AYYKURUAXWHLJD-APWZRJJASA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765960151 1019177479 /nfs/dbraw/zinc/17/74/79/1019177479.db2.gz UXBPNMXFVJLRAX-DNVCBOLYSA-N 1 0 320.452 3.893 20 10 DHCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921944354 1019179899 /nfs/dbraw/zinc/17/98/99/1019179899.db2.gz GAAZWXJLVBHYQY-AEFFLSMTSA-N 1 0 303.446 3.695 20 10 DHCDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239557 1032812615 /nfs/dbraw/zinc/81/26/15/1032812615.db2.gz PKONEHFBZJKODB-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]2CCOC2)cc1 ZINC000921961620 1019223262 /nfs/dbraw/zinc/22/32/62/1019223262.db2.gz WFBOYQMNIQTOSG-FPOVZHCZSA-N 1 0 323.436 3.879 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143103339 1019359466 /nfs/dbraw/zinc/35/94/66/1019359466.db2.gz AMGNUBVMWZKRNJ-KUHUBIRLSA-N 1 0 305.462 3.673 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000186183508 1019462888 /nfs/dbraw/zinc/46/28/88/1019462888.db2.gz NIANBZKSLJGIGX-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO CCCn1nccc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294875 1032834136 /nfs/dbraw/zinc/83/41/36/1032834136.db2.gz QFQWDHZCNHQAGU-UHFFFAOYSA-N 1 0 322.456 3.990 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000858296615 1032836138 /nfs/dbraw/zinc/83/61/38/1032836138.db2.gz RIPMZKPLPPUQOQ-TYKWCNGQSA-N 1 0 324.468 3.574 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168703401 1019598888 /nfs/dbraw/zinc/59/88/88/1019598888.db2.gz FMZJJRDHTZKFJD-OAHLLOKOSA-N 1 0 300.833 3.663 20 10 DHCDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727838914 1019819086 /nfs/dbraw/zinc/81/90/86/1019819086.db2.gz PSBDYYZCVCMRGL-QUCCMNQESA-N 1 0 316.489 3.972 20 10 DHCDRO COc1cc(Br)cc(C[NH2+]C2(C)CCCC2)c1O ZINC000728063734 1019859129 /nfs/dbraw/zinc/85/91/29/1019859129.db2.gz ZZXFUPDQCQZATH-UHFFFAOYSA-N 1 0 314.223 3.586 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)c(O)c1 ZINC000186199366 1019880041 /nfs/dbraw/zinc/88/00/41/1019880041.db2.gz TXDCQJQAQBWJSA-LBPRGKRZSA-N 1 0 322.355 3.590 20 10 DHCDRO CCOc1cccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c1O ZINC000731678038 1020137633 /nfs/dbraw/zinc/13/76/33/1020137633.db2.gz BOBVNCLUKVESMG-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO C[N@H+](Cc1ccc(F)c(Br)c1)Cc1ccccc1O ZINC000731843703 1020156663 /nfs/dbraw/zinc/15/66/63/1020156663.db2.gz RZFGFFVXDGRHIZ-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000922671904 1020203620 /nfs/dbraw/zinc/20/36/20/1020203620.db2.gz IGYDHASZBYEHCN-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922681740 1020205644 /nfs/dbraw/zinc/20/56/44/1020205644.db2.gz SHHRWPRMFTTYSR-RNCFNFMXSA-N 1 0 323.742 3.635 20 10 DHCDRO C[N@H+](CCn1cccn1)Cc1cc2oc3ccccc3c2cc1O ZINC000732186689 1020209301 /nfs/dbraw/zinc/20/93/01/1020209301.db2.gz VSULFQGQZIUHLW-UHFFFAOYSA-N 1 0 321.380 3.620 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1C ZINC000922695265 1020223034 /nfs/dbraw/zinc/22/30/34/1020223034.db2.gz MVCVGVRIGSVDIX-ZFWWWQNUSA-N 1 0 317.351 3.599 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000922770501 1020258907 /nfs/dbraw/zinc/25/89/07/1020258907.db2.gz MHEVQMYIPOVODI-UHFFFAOYSA-N 1 0 309.413 3.535 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCS1 ZINC000922842499 1020299483 /nfs/dbraw/zinc/29/94/83/1020299483.db2.gz MLKNNBXHAQTEPW-CABZTGNLSA-N 1 0 316.264 3.528 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091958288 1020328140 /nfs/dbraw/zinc/32/81/40/1020328140.db2.gz VTOHHIYIOVPTIC-GOEBONIOSA-N 1 0 321.804 3.727 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000733324762 1020371984 /nfs/dbraw/zinc/37/19/84/1020371984.db2.gz BANLDJLDXDWDOY-SNVBAGLBSA-N 1 0 323.742 3.589 20 10 DHCDRO CCCCN1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000733327929 1020374379 /nfs/dbraw/zinc/37/43/79/1020374379.db2.gz HGSDGFZPZSVCLH-AWEZNQCLSA-N 1 0 310.869 3.790 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922891306 1020403261 /nfs/dbraw/zinc/40/32/61/1020403261.db2.gz HNXPPUHSWKFKJF-UYAOXDASSA-N 1 0 314.473 3.582 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000167014537 1020425559 /nfs/dbraw/zinc/42/55/59/1020425559.db2.gz OBTHTJIUFPUZKH-APWZRJJASA-N 1 0 302.462 3.897 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(CC)no1 ZINC000282574184 1020464575 /nfs/dbraw/zinc/46/45/75/1020464575.db2.gz ZXOPNIUSIJJGTM-ZDUSSCGKSA-N 1 0 303.406 3.701 20 10 DHCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029475 1020490462 /nfs/dbraw/zinc/49/04/62/1020490462.db2.gz LSOUWXNCHYEAJM-LJQANCHMSA-N 1 0 310.441 3.983 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000766030575 1020494361 /nfs/dbraw/zinc/49/43/61/1020494361.db2.gz UHWHQXLEQHUZMI-KRWDZBQOSA-N 1 0 316.832 3.938 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000529636806 1020504792 /nfs/dbraw/zinc/50/47/92/1020504792.db2.gz HPPOIGBNUWBAAT-UHFFFAOYSA-N 1 0 319.351 3.714 20 10 DHCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378905405 1020522736 /nfs/dbraw/zinc/52/27/36/1020522736.db2.gz YVVVYSIVPUPEAA-MJGOQNOKSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000765868070 1020532823 /nfs/dbraw/zinc/53/28/23/1020532823.db2.gz OUSQAWOBYCSQKI-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOc1cccnc1 ZINC000734005142 1020544649 /nfs/dbraw/zinc/54/46/49/1020544649.db2.gz XMSBQFUCNMYNQE-UHFFFAOYSA-N 1 0 320.392 3.623 20 10 DHCDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000858485432 1032913708 /nfs/dbraw/zinc/91/37/08/1032913708.db2.gz MXVVMZSLARJNFS-GDBMZVCRSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(C)CCC3)cc2F)C[C@H](C)O1 ZINC000766212904 1020687010 /nfs/dbraw/zinc/68/70/10/1020687010.db2.gz BJYGBAXLXNLUNE-GJZGRUSLSA-N 1 0 320.452 3.719 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000735087320 1020689673 /nfs/dbraw/zinc/68/96/73/1020689673.db2.gz YXKRKBPVZBFJID-UHFFFAOYSA-N 1 0 318.779 3.998 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccccc1O ZINC000858496828 1032923244 /nfs/dbraw/zinc/92/32/44/1032923244.db2.gz VNMFVRIGUULLPV-SFHVURJKSA-N 1 0 312.413 3.616 20 10 DHCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000735323985 1020719308 /nfs/dbraw/zinc/71/93/08/1020719308.db2.gz KCBAUAJVJASIHV-SFHVURJKSA-N 1 0 313.441 3.946 20 10 DHCDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000177597935 1020723691 /nfs/dbraw/zinc/72/36/91/1020723691.db2.gz IYUQXEZRGNIDAX-UHFFFAOYSA-N 1 0 313.397 3.708 20 10 DHCDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000735678627 1020759273 /nfs/dbraw/zinc/75/92/73/1020759273.db2.gz YETNKKIZFZXQKH-WBMJQRKESA-N 1 0 311.853 3.977 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2c1 ZINC000735666155 1020760755 /nfs/dbraw/zinc/76/07/55/1020760755.db2.gz CKTTUUVPZARGPG-OLZOCXBDSA-N 1 0 317.454 3.880 20 10 DHCDRO CCn1cc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000735676348 1020761861 /nfs/dbraw/zinc/76/18/61/1020761861.db2.gz KUEKTCXBEORHMI-UHFFFAOYSA-N 1 0 322.456 3.909 20 10 DHCDRO CCc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000738146130 1020862074 /nfs/dbraw/zinc/86/20/74/1020862074.db2.gz XQAOPIMKIQKTPM-QGZVFWFLSA-N 1 0 318.505 3.778 20 10 DHCDRO Oc1ccc2ccncc2c1C[NH+]1CCc2ccccc2CC1 ZINC000738225607 1020864731 /nfs/dbraw/zinc/86/47/31/1020864731.db2.gz HVTIUMQYONDSQW-UHFFFAOYSA-N 1 0 304.393 3.541 20 10 DHCDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178113950 1020940918 /nfs/dbraw/zinc/94/09/18/1020940918.db2.gz USYMTKCEQNQORF-QFBILLFUSA-N 1 0 304.478 3.735 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1(C)C ZINC000740861865 1020957146 /nfs/dbraw/zinc/95/71/46/1020957146.db2.gz SCXPEBSMSXWPHS-QZTJIDSGSA-N 1 0 314.429 3.576 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1(C)C ZINC000740863621 1020957452 /nfs/dbraw/zinc/95/74/52/1020957452.db2.gz VMNBLDQLJOGMBZ-MSOLQXFVSA-N 1 0 303.446 3.516 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1C ZINC000742166489 1021094446 /nfs/dbraw/zinc/09/44/46/1021094446.db2.gz OISDSDYGBYYOKL-SFHVURJKSA-N 1 0 303.446 3.933 20 10 DHCDRO Oc1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)CCC2 ZINC000742165940 1021094458 /nfs/dbraw/zinc/09/44/58/1021094458.db2.gz LWIMMTORZBOZNU-IBGZPJMESA-N 1 0 315.457 3.805 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C3CCC(C)CC3)CC2)cc1 ZINC000742369379 1021112990 /nfs/dbraw/zinc/11/29/90/1021112990.db2.gz CGQQLFSDEOBDKQ-UHFFFAOYSA-N 1 0 302.462 3.832 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000742372949 1021113219 /nfs/dbraw/zinc/11/32/19/1021113219.db2.gz YXMVEEVGZOVOBA-MRXNPFEDSA-N 1 0 322.456 3.987 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000742371363 1021113516 /nfs/dbraw/zinc/11/35/16/1021113516.db2.gz SJAOVSXLSLNENN-XYPHTWIQSA-N 1 0 322.880 3.788 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1 ZINC000742377059 1021114579 /nfs/dbraw/zinc/11/45/79/1021114579.db2.gz GOVPNTHUHLRYNJ-KRWDZBQOSA-N 1 0 305.805 3.831 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1cccc(F)c1 ZINC000742380030 1021115583 /nfs/dbraw/zinc/11/55/83/1021115583.db2.gz KAOJSFXDPIZXMZ-ZDUSSCGKSA-N 1 0 320.383 3.588 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)c(O)c1OC ZINC000892629567 1021122958 /nfs/dbraw/zinc/12/29/58/1021122958.db2.gz CEFJBWOWBHGDIY-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1cc(Br)ccc1O ZINC000311096354 1021213451 /nfs/dbraw/zinc/21/34/51/1021213451.db2.gz SGHATIXTWZCLAS-GWCFXTLKSA-N 1 0 316.239 3.620 20 10 DHCDRO CC1CCC([N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)CC1 ZINC000917438561 1021259882 /nfs/dbraw/zinc/25/98/82/1021259882.db2.gz RGAMCTGRGVNJCP-UHFFFAOYSA-N 1 0 303.402 3.664 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)CO1 ZINC000743409059 1021290130 /nfs/dbraw/zinc/29/01/30/1021290130.db2.gz QYTFQLHUZICXEW-FOIQADDNSA-N 1 0 323.436 3.843 20 10 DHCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000743500375 1021306512 /nfs/dbraw/zinc/30/65/12/1021306512.db2.gz ZCRAOBZXPKZSKJ-HNAYVOBHSA-N 1 0 313.441 3.946 20 10 DHCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000743499708 1021307477 /nfs/dbraw/zinc/30/74/77/1021307477.db2.gz PCQNLISAUOKHLG-WMZOPIPTSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000107320169 1021311262 /nfs/dbraw/zinc/31/12/62/1021311262.db2.gz OYLAIOBWFGMINX-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000107671056 1021339279 /nfs/dbraw/zinc/33/92/79/1021339279.db2.gz LEJADCUUQAJQST-OAHLLOKOSA-N 1 0 305.462 3.857 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000924588569 1021344799 /nfs/dbraw/zinc/34/47/99/1021344799.db2.gz KSIOGLWKAFSUJB-INIZCTEOSA-N 1 0 320.440 3.777 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154525096 1021364560 /nfs/dbraw/zinc/36/45/60/1021364560.db2.gz NOAXNTXRQNIGJC-WBVHZDCISA-N 1 0 319.468 3.561 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850187533 1021435070 /nfs/dbraw/zinc/43/50/70/1021435070.db2.gz LUGILQVNRVREQC-KBPBESRZSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850187538 1021435394 /nfs/dbraw/zinc/43/53/94/1021435394.db2.gz LUGILQVNRVREQC-ZIAGYGMSSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850325806 1021475605 /nfs/dbraw/zinc/47/56/05/1021475605.db2.gz OTLQEUGYEDESID-MCIONIFRSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000850347446 1021481717 /nfs/dbraw/zinc/48/17/17/1021481717.db2.gz SEDVFPIWEASLNX-INIZCTEOSA-N 1 0 300.446 3.586 20 10 DHCDRO CC[C@@H](COCC1CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850351648 1021484168 /nfs/dbraw/zinc/48/41/68/1021484168.db2.gz QPTVENPUQJDKNI-QWNKOJSDSA-N 1 0 302.462 3.561 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850377727 1021498863 /nfs/dbraw/zinc/49/88/63/1021498863.db2.gz KBEIAMYOELYOLR-GJZGRUSLSA-N 1 0 317.816 3.708 20 10 DHCDRO CC[NH+](CC)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924602 1021500749 /nfs/dbraw/zinc/50/07/49/1021500749.db2.gz RPSWVDCWBDOPFM-UHFFFAOYSA-N 1 0 323.912 3.712 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)cc1 ZINC000850385243 1021501303 /nfs/dbraw/zinc/50/13/03/1021501303.db2.gz AZERGESCIUKVDB-FXAWDEMLSA-N 1 0 309.457 3.649 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140924047 1021501612 /nfs/dbraw/zinc/50/16/12/1021501612.db2.gz BRTKMDSQRXKMRX-LLVKDONJSA-N 1 0 306.759 3.790 20 10 DHCDRO CCOc1cccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c1O ZINC000850391293 1021504236 /nfs/dbraw/zinc/50/42/36/1021504236.db2.gz LIRUBUNHQGRYNQ-UHFFFAOYSA-N 1 0 311.372 3.849 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2c(C3CCC3)cnn2C)cc1 ZINC000850394352 1021507393 /nfs/dbraw/zinc/50/73/93/1021507393.db2.gz WPTHESOAXMJTTR-WAYWQWQTSA-N 1 0 324.472 3.557 20 10 DHCDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395203 1021507431 /nfs/dbraw/zinc/50/74/31/1021507431.db2.gz OEYIQBABMSSASK-WOJBJXKFSA-N 1 0 312.457 3.600 20 10 DHCDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395201 1021507743 /nfs/dbraw/zinc/50/77/43/1021507743.db2.gz OEYIQBABMSSASK-UXHICEINSA-N 1 0 312.457 3.600 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1SCCS1 ZINC000850401596 1021511772 /nfs/dbraw/zinc/51/17/72/1021511772.db2.gz NIOGEKYAWFYBRV-UHFFFAOYSA-N 1 0 317.479 3.955 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000850408525 1021515843 /nfs/dbraw/zinc/51/58/43/1021515843.db2.gz ANVLPESDFAFUFP-USXIJHARSA-N 1 0 303.764 3.613 20 10 DHCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850434849 1021530631 /nfs/dbraw/zinc/53/06/31/1021530631.db2.gz DDUVPYJMVZTREZ-HNNXBMFYSA-N 1 0 320.477 3.519 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489992 1021560395 /nfs/dbraw/zinc/56/03/95/1021560395.db2.gz ZLGRDPYLSLAQPD-GJZGRUSLSA-N 1 0 314.429 3.780 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000850487740 1021560605 /nfs/dbraw/zinc/56/06/05/1021560605.db2.gz JDEZQZVKZJBSMX-QAPCUYQASA-N 1 0 300.446 3.586 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489991 1021560944 /nfs/dbraw/zinc/56/09/44/1021560944.db2.gz ZLGRDPYLSLAQPD-CABCVRRESA-N 1 0 314.429 3.780 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C2)cc1 ZINC000850489449 1021561362 /nfs/dbraw/zinc/56/13/62/1021561362.db2.gz UQLHLTHKQBRNGC-LSDHHAIUSA-N 1 0 322.518 3.784 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccnc3ccccc23)c1O ZINC000850507669 1021566396 /nfs/dbraw/zinc/56/63/96/1021566396.db2.gz PFEAQSOWMWZQOY-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850508203 1021567695 /nfs/dbraw/zinc/56/76/95/1021567695.db2.gz SBNQVNWHAYERDE-WFASDCNBSA-N 1 0 300.377 3.615 20 10 DHCDRO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccccc1O ZINC000850515299 1021572020 /nfs/dbraw/zinc/57/20/20/1021572020.db2.gz VYFVWGNZPLIQFB-ROUUACIJSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000850520336 1021575036 /nfs/dbraw/zinc/57/50/36/1021575036.db2.gz ZZFLHCWZHMJXEA-YOEHRIQHSA-N 1 0 324.415 3.752 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000850527199 1021579109 /nfs/dbraw/zinc/57/91/09/1021579109.db2.gz ZJQPSEMBVSHFEY-BBRMVZONSA-N 1 0 301.430 3.633 20 10 DHCDRO C[C@@H]([NH2+]CCCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000850536790 1021589613 /nfs/dbraw/zinc/58/96/13/1021589613.db2.gz NNZSCQWMWFNKNW-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1O ZINC000850535582 1021590853 /nfs/dbraw/zinc/59/08/53/1021590853.db2.gz XJQIOKUZSSPPJQ-JTQLQIEISA-N 1 0 305.809 3.507 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1O ZINC000850535336 1021590988 /nfs/dbraw/zinc/59/09/88/1021590988.db2.gz VGVOTVCAZVFLFA-HNNXBMFYSA-N 1 0 319.836 3.897 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(Cl)cc1O ZINC000850549846 1021597615 /nfs/dbraw/zinc/59/76/15/1021597615.db2.gz KNAPBTHVZHPGMJ-LLVKDONJSA-N 1 0 319.836 3.897 20 10 DHCDRO CC[C@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccccc1O ZINC000850554120 1021600110 /nfs/dbraw/zinc/60/01/10/1021600110.db2.gz BVUFNLSDPKESQA-INIZCTEOSA-N 1 0 318.461 3.520 20 10 DHCDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850557893 1021604285 /nfs/dbraw/zinc/60/42/85/1021604285.db2.gz ZYFGGIDFGQTVTI-UXPWSPDFSA-N 1 0 311.425 3.727 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nsc3ccccc31)CC2 ZINC000850561337 1021605694 /nfs/dbraw/zinc/60/56/94/1021605694.db2.gz NWLBCGKYIFEDHL-HNNXBMFYSA-N 1 0 310.422 3.822 20 10 DHCDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565902 1021608858 /nfs/dbraw/zinc/60/88/58/1021608858.db2.gz JMGIGNHLISHLAJ-KRWDZBQOSA-N 1 0 318.505 3.952 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1 ZINC000850565990 1021609278 /nfs/dbraw/zinc/60/92/78/1021609278.db2.gz IYHQOIBCRPWBCW-ZDUSSCGKSA-N 1 0 313.388 3.600 20 10 DHCDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000379629120 1021609873 /nfs/dbraw/zinc/60/98/73/1021609873.db2.gz ODIWARRZMGOLSB-UHFFFAOYSA-N 1 0 316.420 3.532 20 10 DHCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567550 1021610525 /nfs/dbraw/zinc/61/05/25/1021610525.db2.gz FLUBLCATQRAWMU-YLJYHZDGSA-N 1 0 316.489 3.706 20 10 DHCDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567313 1021610536 /nfs/dbraw/zinc/61/05/36/1021610536.db2.gz ZFSBEZCRPSIJNQ-MRXNPFEDSA-N 1 0 304.478 3.562 20 10 DHCDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566627 1021610863 /nfs/dbraw/zinc/61/08/63/1021610863.db2.gz QECBDKQXAYKDRX-KRWDZBQOSA-N 1 0 316.489 3.872 20 10 DHCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567755 1021611222 /nfs/dbraw/zinc/61/12/22/1021611222.db2.gz IMBPTZHNRXDGDS-UXHICEINSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1O ZINC000850567065 1021611419 /nfs/dbraw/zinc/61/14/19/1021611419.db2.gz WFZCNMRAKJMRSS-SNVBAGLBSA-N 1 0 319.779 3.637 20 10 DHCDRO C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1cc(F)ccc1O ZINC000850573302 1021616315 /nfs/dbraw/zinc/61/63/15/1021616315.db2.gz KKKPMUMQZOCJKN-LBPRGKRZSA-N 1 0 323.408 3.694 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(O)c1 ZINC000850574435 1021616716 /nfs/dbraw/zinc/61/67/16/1021616716.db2.gz YKNFCAWUXQMYSN-BXWFABGCSA-N 1 0 313.441 3.824 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2C)c1 ZINC000850579296 1021620674 /nfs/dbraw/zinc/62/06/74/1021620674.db2.gz TYKJKZFBCLATJQ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1nccn1C ZINC000182501395 1021684958 /nfs/dbraw/zinc/68/49/58/1021684958.db2.gz PIWHADOLULLELK-KRWDZBQOSA-N 1 0 300.450 3.507 20 10 DHCDRO Cc1nc(CNCc2ccc(N3CCCCC3)cc2)cs1 ZINC000040443843 1021739576 /nfs/dbraw/zinc/73/95/76/1021739576.db2.gz RURMBUIDKNSOMA-UHFFFAOYSA-N 1 0 301.459 3.732 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cccc(F)c2)c1 ZINC000183105820 1021993651 /nfs/dbraw/zinc/99/36/51/1021993651.db2.gz WUBZTSRSZSVXLN-CYBMUJFWSA-N 1 0 303.377 3.823 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000183267025 1022068823 /nfs/dbraw/zinc/06/88/23/1022068823.db2.gz WFJWKSRRNHQQTA-FZDIXFNVSA-N 1 0 314.473 3.751 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000920181079 1022073166 /nfs/dbraw/zinc/07/31/66/1022073166.db2.gz XAPHZQXXTCAYCW-FUHWJXTLSA-N 1 0 316.489 3.828 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N(C)C)cc1 ZINC000766367930 1022079950 /nfs/dbraw/zinc/07/99/50/1022079950.db2.gz FGEXCAMDMBVUGW-GOSISDBHSA-N 1 0 304.478 3.736 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000766381452 1022084519 /nfs/dbraw/zinc/08/45/19/1022084519.db2.gz JGGBTTAAUSHKOB-HNNXBMFYSA-N 1 0 320.477 3.915 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1 ZINC000766436559 1022113272 /nfs/dbraw/zinc/11/32/72/1022113272.db2.gz HZNZZTNNFAKCHY-ZYSHUDEJSA-N 1 0 304.478 3.735 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1OC ZINC000180234845 1022120257 /nfs/dbraw/zinc/12/02/57/1022120257.db2.gz NKECJRYOZVQJFS-IPYPFGDCSA-N 1 0 305.418 3.562 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000183376539 1022123549 /nfs/dbraw/zinc/12/35/49/1022123549.db2.gz CBFGTDAJOURJMG-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OC(F)F ZINC000183401403 1022127712 /nfs/dbraw/zinc/12/77/12/1022127712.db2.gz QGHCGJKKGFGCHO-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766497702 1022135305 /nfs/dbraw/zinc/13/53/05/1022135305.db2.gz PEBGUMPSLJFRQQ-KDOFPFPSSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccccc1O ZINC000183444204 1022148105 /nfs/dbraw/zinc/14/81/05/1022148105.db2.gz PUGIAUFMCRSUNA-RYUDHWBXSA-N 1 0 307.340 3.789 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000183538853 1022176214 /nfs/dbraw/zinc/17/62/14/1022176214.db2.gz SRYWTPXNWGHLID-CABCVRRESA-N 1 0 307.397 3.990 20 10 DHCDRO COC[C@@H](C)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000920867894 1022186849 /nfs/dbraw/zinc/18/68/49/1022186849.db2.gz AZLXLMHALNGFQR-HNNXBMFYSA-N 1 0 300.446 3.775 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000853092693 1022217978 /nfs/dbraw/zinc/21/79/78/1022217978.db2.gz IXBBBJSOTVFYOT-OAHLLOKOSA-N 1 0 322.880 3.566 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853093714 1022219981 /nfs/dbraw/zinc/21/99/81/1022219981.db2.gz JMORKOAARZYWKQ-QGZVFWFLSA-N 1 0 319.408 3.663 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241381 1022242207 /nfs/dbraw/zinc/24/22/07/1022242207.db2.gz LSTVMINRQYRXDJ-PBHICJAKSA-N 1 0 319.408 3.916 20 10 DHCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(c2ccco2)CC1 ZINC000853526963 1022287907 /nfs/dbraw/zinc/28/79/07/1022287907.db2.gz FZXDXVSMGBOLBV-UHFFFAOYSA-N 1 0 308.381 3.913 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000182451036 1022288183 /nfs/dbraw/zinc/28/81/83/1022288183.db2.gz WSHYOBMREHOTSB-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586616 1022295916 /nfs/dbraw/zinc/29/59/16/1022295916.db2.gz VCNLZHICIVBWCP-HIFRSBDPSA-N 1 0 323.392 3.760 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000185333387 1022477591 /nfs/dbraw/zinc/47/75/91/1022477591.db2.gz NPAZEYWKCDYJJP-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000185457402 1022492258 /nfs/dbraw/zinc/49/22/58/1022492258.db2.gz PUPOSXCHYZPWTE-ZBFHGGJFSA-N 1 0 314.404 3.851 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000103340061 1022499066 /nfs/dbraw/zinc/49/90/66/1022499066.db2.gz BMGGAHMYIDGNDX-UHFFFAOYSA-N 1 0 310.441 3.756 20 10 DHCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2c(cc1C)NC(=O)C2 ZINC001169690944 1022502203 /nfs/dbraw/zinc/50/22/03/1022502203.db2.gz NJSDUBIOJFTKHB-MRXNPFEDSA-N 1 0 321.424 3.730 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000179688740 1022509254 /nfs/dbraw/zinc/50/92/54/1022509254.db2.gz DTECSZZQQFKMME-KRWDZBQOSA-N 1 0 301.361 3.877 20 10 DHCDRO Cc1cc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1Br ZINC001237678288 1022530904 /nfs/dbraw/zinc/53/09/04/1022530904.db2.gz XXXWNIPHGOISAH-RYUDHWBXSA-N 1 0 310.235 3.695 20 10 DHCDRO C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@H](C)O1 ZINC000776763859 1022541356 /nfs/dbraw/zinc/54/13/56/1022541356.db2.gz QUSNYRYEMQHLQE-BETUJISGSA-N 1 0 311.381 3.901 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)c1O ZINC000179895899 1022568945 /nfs/dbraw/zinc/56/89/45/1022568945.db2.gz UBQKAABKWMTYMN-UHFFFAOYSA-N 1 0 310.441 3.801 20 10 DHCDRO O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O)c1ccccc1 ZINC000180201191 1022661820 /nfs/dbraw/zinc/66/18/20/1022661820.db2.gz KKKJOLLKUUDUIX-KRWDZBQOSA-N 1 0 313.372 3.769 20 10 DHCDRO CC(F)(F)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691443025 1022695555 /nfs/dbraw/zinc/69/55/55/1022695555.db2.gz GEZGCXPQTYNTJY-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCCC1 ZINC000238141565 1022709283 /nfs/dbraw/zinc/70/92/83/1022709283.db2.gz QMMQLGBXYAOPHP-UHFFFAOYSA-N 1 0 316.489 3.852 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000068973646 1022822941 /nfs/dbraw/zinc/82/29/41/1022822941.db2.gz IVOLNMIVJFBFOE-GOSISDBHSA-N 1 0 321.367 3.616 20 10 DHCDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc(F)ccc1O ZINC000180810727 1022839010 /nfs/dbraw/zinc/83/90/10/1022839010.db2.gz ZORYLUQDUHXDFR-UHFFFAOYSA-N 1 0 311.397 3.523 20 10 DHCDRO CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccc(N(C)C)cc1 ZINC000768131869 1022897754 /nfs/dbraw/zinc/89/77/54/1022897754.db2.gz AOUCLOPTOQFLDQ-UHFFFAOYSA-N 1 0 322.456 3.731 20 10 DHCDRO CCc1ncc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)s1 ZINC000768134883 1022900807 /nfs/dbraw/zinc/90/08/07/1022900807.db2.gz WWGXEXVEZWRGFL-UHFFFAOYSA-N 1 0 303.475 3.794 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1F ZINC000768199807 1022912928 /nfs/dbraw/zinc/91/29/28/1022912928.db2.gz ZCBFXOVNROBOAP-GOSISDBHSA-N 1 0 301.409 3.567 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(C)C)c1O ZINC000768268332 1022936649 /nfs/dbraw/zinc/93/66/49/1022936649.db2.gz HWVNUAINNAIOCB-JTQLQIEISA-N 1 0 316.239 3.640 20 10 DHCDRO CC1CC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000768221095 1022927811 /nfs/dbraw/zinc/92/78/11/1022927811.db2.gz RTXUNZKETXOIAS-UHFFFAOYSA-N 1 0 310.388 3.645 20 10 DHCDRO CCOc1cccc(C[N@H+](C)CCOc2ccc(C)cc2)c1O ZINC000768214080 1022927937 /nfs/dbraw/zinc/92/79/37/1022927937.db2.gz YLJGFFJDHRMJSC-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000857080596 1022945511 /nfs/dbraw/zinc/94/55/11/1022945511.db2.gz JESMDEOHNKSLEK-RKDXNWHRSA-N 1 0 320.177 3.851 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000768296656 1022942892 /nfs/dbraw/zinc/94/28/92/1022942892.db2.gz YAMLUPNMOAAXFC-UFYCRDLUSA-N 1 0 316.489 3.999 20 10 DHCDRO CC[N@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768335367 1022948392 /nfs/dbraw/zinc/94/83/92/1022948392.db2.gz MSKRZVABSWNPCU-UHFFFAOYSA-N 1 0 324.468 3.588 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000768364888 1022953002 /nfs/dbraw/zinc/95/30/02/1022953002.db2.gz PNNDZGPKVJKOSS-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000876550162 1033089834 /nfs/dbraw/zinc/08/98/34/1033089834.db2.gz RGDPQMWAHSGSSL-UHFFFAOYSA-N 1 0 324.424 3.551 20 10 DHCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1 ZINC000768440280 1022967190 /nfs/dbraw/zinc/96/71/90/1022967190.db2.gz PZQWELGFMASQCB-SFHVURJKSA-N 1 0 319.445 3.753 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000768439437 1022968382 /nfs/dbraw/zinc/96/83/82/1022968382.db2.gz LZPULRBAHVYRPB-BPUTZDHNSA-N 1 0 319.445 3.810 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)CCCC2 ZINC000768465451 1022972804 /nfs/dbraw/zinc/97/28/04/1022972804.db2.gz NANYXFLDCRVINW-SFHVURJKSA-N 1 0 315.457 3.520 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768463845 1022973690 /nfs/dbraw/zinc/97/36/90/1022973690.db2.gz YAGVMQIJKRSVQL-MSOLQXFVSA-N 1 0 315.457 3.520 20 10 DHCDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462955 1022974167 /nfs/dbraw/zinc/97/41/67/1022974167.db2.gz PGKWZPVSURMDFA-HIFRSBDPSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3o2)c1 ZINC000181229376 1022997891 /nfs/dbraw/zinc/99/78/91/1022997891.db2.gz SHYHSIAAXFMWHJ-VXGBXAGGSA-N 1 0 312.369 3.954 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc3ccccc3o2)c1 ZINC000181229361 1022998505 /nfs/dbraw/zinc/99/85/05/1022998505.db2.gz SHYHSIAAXFMWHJ-NWDGAFQWSA-N 1 0 312.369 3.954 20 10 DHCDRO CC(C)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000768780050 1023026162 /nfs/dbraw/zinc/02/61/62/1023026162.db2.gz KCAKXQWWPPQLDZ-UHFFFAOYSA-N 1 0 308.441 3.529 20 10 DHCDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876572473 1033095849 /nfs/dbraw/zinc/09/58/49/1033095849.db2.gz DUIKUAITTULBCV-VQIMIIECSA-N 1 0 316.489 3.658 20 10 DHCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756574540 1023038071 /nfs/dbraw/zinc/03/80/71/1023038071.db2.gz MZJNKANYVDDPRR-IAGOWNOFSA-N 1 0 304.478 3.924 20 10 DHCDRO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000123432828 1023039583 /nfs/dbraw/zinc/03/95/83/1023039583.db2.gz JPBMBFYJYMULPZ-MRXNPFEDSA-N 1 0 302.462 3.754 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000025478891 1023050621 /nfs/dbraw/zinc/05/06/21/1023050621.db2.gz DMMBXCWVSDSIOQ-UHFFFAOYSA-N 1 0 300.358 3.549 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000123782688 1023069638 /nfs/dbraw/zinc/06/96/38/1023069638.db2.gz IHCTXWNNHWDUKZ-OAHLLOKOSA-N 1 0 312.196 3.522 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(O)c1 ZINC000769035388 1023073295 /nfs/dbraw/zinc/07/32/95/1023073295.db2.gz HJLBXYWGJODZDH-KWOWKCNFSA-N 1 0 301.430 3.801 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1F ZINC000769105334 1023084154 /nfs/dbraw/zinc/08/41/54/1023084154.db2.gz OUFBXTJWDBGDBU-UHFFFAOYSA-N 1 0 313.420 3.666 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1F ZINC000769106728 1023084178 /nfs/dbraw/zinc/08/41/78/1023084178.db2.gz WOTQPJILHBKRTH-SFHVURJKSA-N 1 0 314.404 3.934 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000769103834 1023091315 /nfs/dbraw/zinc/09/13/15/1023091315.db2.gz CNOCGQKZJUFWPL-QFBILLFUSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759835379 1023097693 /nfs/dbraw/zinc/09/76/93/1023097693.db2.gz CVHIBWFSZZJCTL-HZPDHXFCSA-N 1 0 311.425 3.964 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000769244338 1023107732 /nfs/dbraw/zinc/10/77/32/1023107732.db2.gz NGGOEGFIXZGBKN-SFTDATJTSA-N 1 0 324.468 3.841 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)CC[C@H]2C)c1 ZINC000769307292 1023117565 /nfs/dbraw/zinc/11/75/65/1023117565.db2.gz GMOYJPIVBIXFCN-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000769306676 1023117735 /nfs/dbraw/zinc/11/77/35/1023117735.db2.gz BPMBHACOBZAZSD-UHFFFAOYSA-N 1 0 321.833 3.695 20 10 DHCDRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769311208 1023119685 /nfs/dbraw/zinc/11/96/85/1023119685.db2.gz ZQJZTBKKOYPINN-UZLBHIALSA-N 1 0 310.441 3.715 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000769337500 1023128793 /nfs/dbraw/zinc/12/87/93/1023128793.db2.gz JNRVWWZMBAUOEI-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c(O)c1 ZINC000769383793 1023138303 /nfs/dbraw/zinc/13/83/03/1023138303.db2.gz JQBYNNSWCMMARI-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000323450365 1023143642 /nfs/dbraw/zinc/14/36/42/1023143642.db2.gz AOYCPECZKKALBV-HNNXBMFYSA-N 1 0 308.429 3.678 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccn2C)cc1F ZINC000769468827 1023161154 /nfs/dbraw/zinc/16/11/54/1023161154.db2.gz PWBFXCZHARIQNI-UHFFFAOYSA-N 1 0 303.425 3.642 20 10 DHCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471638 1023163181 /nfs/dbraw/zinc/16/31/81/1023163181.db2.gz WXBWJRMFSIDTEK-CGTJXYLNSA-N 1 0 303.446 3.726 20 10 DHCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756607163 1023163906 /nfs/dbraw/zinc/16/39/06/1023163906.db2.gz ZQLAJKADBMPDQC-BDJLRTHQSA-N 1 0 301.377 3.508 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1O ZINC000769499332 1023166674 /nfs/dbraw/zinc/16/66/74/1023166674.db2.gz QLPUHQVUAUPYEY-DOTOQJQBSA-N 1 0 311.425 3.854 20 10 DHCDRO COc1ccc(C[NH+](C)C)cc1NCc1c(O)cccc1Cl ZINC000393402933 1023197450 /nfs/dbraw/zinc/19/74/50/1023197450.db2.gz RIRADCXOOUGBAF-UHFFFAOYSA-N 1 0 320.820 3.728 20 10 DHCDRO CCCCCC[C@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172378427 1033114638 /nfs/dbraw/zinc/11/46/38/1033114638.db2.gz KVVQFBYNTKNFQM-YJBOKZPZSA-N 1 0 309.450 3.860 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)C ZINC000756626339 1023233882 /nfs/dbraw/zinc/23/38/82/1023233882.db2.gz NUJRFBWIKHLKCI-UGSOOPFHSA-N 1 0 305.462 3.983 20 10 DHCDRO CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756626265 1023234055 /nfs/dbraw/zinc/23/40/55/1023234055.db2.gz BTISANXGIDVQLU-TZMCWYRMSA-N 1 0 309.425 3.858 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000770287020 1023291518 /nfs/dbraw/zinc/29/15/18/1023291518.db2.gz UNFSLUYLDZQNQI-AEFFLSMTSA-N 1 0 320.452 3.673 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000770293498 1023295470 /nfs/dbraw/zinc/29/54/70/1023295470.db2.gz PFFJIZAJANLCMR-MJGOQNOKSA-N 1 0 302.462 3.534 20 10 DHCDRO C[N@H+](CCC1CC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770376040 1023301243 /nfs/dbraw/zinc/30/12/43/1023301243.db2.gz ULIRIESUTVRHOH-UHFFFAOYSA-N 1 0 317.433 3.817 20 10 DHCDRO Cn1c(-c2ccccc2)cnc1SCC[C@@H]1CCC[N@@H+]1C ZINC000770463380 1023314862 /nfs/dbraw/zinc/31/48/62/1023314862.db2.gz SEQRIZKHABZJJZ-HNNXBMFYSA-N 1 0 301.459 3.664 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(Cc3cccnc3)CC2)cc1C ZINC000770667485 1023336036 /nfs/dbraw/zinc/33/60/36/1023336036.db2.gz ZWYPDJHNRRVIQE-UHFFFAOYSA-N 1 0 310.441 3.859 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749986 1023347811 /nfs/dbraw/zinc/34/78/11/1023347811.db2.gz ZIQMTPHUOPFENT-DJJJIMSYSA-N 1 0 315.388 3.626 20 10 DHCDRO C[C@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000092969796 1023358957 /nfs/dbraw/zinc/35/89/57/1023358957.db2.gz GNRMOWFARCAIAO-HNNXBMFYSA-N 1 0 311.425 3.652 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000771384967 1023430724 /nfs/dbraw/zinc/43/07/24/1023430724.db2.gz RJCABOIAQAVGLZ-OAHLLOKOSA-N 1 0 309.457 3.932 20 10 DHCDRO C[NH+]1CCN(c2ccc(/C=C/c3nc4ccccc4o3)cc2)CC1 ZINC000771521454 1023448099 /nfs/dbraw/zinc/44/80/99/1023448099.db2.gz SEOONYRSULDKIS-DHZHZOJOSA-N 1 0 319.408 3.750 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cnc3ccccn23)C2CC2)cc1 ZINC000771790593 1023469960 /nfs/dbraw/zinc/46/99/60/1023469960.db2.gz DSONWCJFKIDKEX-UHFFFAOYSA-N 1 0 320.440 3.565 20 10 DHCDRO CCC1(O)CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000771874548 1023479596 /nfs/dbraw/zinc/47/95/96/1023479596.db2.gz LWNXFTBJDPTESY-UHFFFAOYSA-N 1 0 316.489 3.850 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccnc3ccccc23)cc1 ZINC000771935175 1023489526 /nfs/dbraw/zinc/48/95/26/1023489526.db2.gz MRLLVZGAKJCRSS-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3ccccc3c2)cc1 ZINC000771935374 1023489796 /nfs/dbraw/zinc/48/97/96/1023489796.db2.gz PYDFSNSNBBPYKH-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000771935122 1023489985 /nfs/dbraw/zinc/48/99/85/1023489985.db2.gz IYCGHPQUDXWQCD-UHFFFAOYSA-N 1 0 323.484 3.985 20 10 DHCDRO COc1ccccc1/C=C/C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935174 1023489998 /nfs/dbraw/zinc/48/99/98/1023489998.db2.gz MPLQVOLXSQKYFP-VQHVLOKHSA-N 1 0 310.441 3.906 20 10 DHCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000876778920 1033141924 /nfs/dbraw/zinc/14/19/24/1033141924.db2.gz RZBNAXDDRIIHML-SUMWQHHRSA-N 1 0 303.427 3.724 20 10 DHCDRO C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000785512273 1023585996 /nfs/dbraw/zinc/58/59/96/1023585996.db2.gz RUGYCLMQVGKXBG-GFCCVEGCSA-N 1 0 301.459 3.937 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876805390 1033147289 /nfs/dbraw/zinc/14/72/89/1033147289.db2.gz ZQPSIWDTOJEIQX-WMLDXEAASA-N 1 0 317.454 3.850 20 10 DHCDRO CCCN(Cc1ccc(OC)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000236729337 1023627887 /nfs/dbraw/zinc/62/78/87/1023627887.db2.gz ADMDQXOKNRWGIT-UHFFFAOYSA-N 1 0 314.429 3.579 20 10 DHCDRO CCCN(Cc1ccc(OC)c(F)c1)c1ccc(C[NH3+])cc1 ZINC000236729287 1023628633 /nfs/dbraw/zinc/62/86/33/1023628633.db2.gz SAYLIWZSHCAALL-UHFFFAOYSA-N 1 0 302.393 3.710 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]C(C)(C)CO)c(O)c(C(C)(C)C)c1 ZINC000236742525 1023692701 /nfs/dbraw/zinc/69/27/01/1023692701.db2.gz AKOYMNWXDCQYNE-UHFFFAOYSA-N 1 0 307.478 3.848 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2cc(Cl)ccc2O)cc(C)c1O ZINC000786826224 1023727067 /nfs/dbraw/zinc/72/70/67/1023727067.db2.gz DKEINICWAUPDEE-UHFFFAOYSA-N 1 0 305.805 3.700 20 10 DHCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000786830940 1023728747 /nfs/dbraw/zinc/72/87/47/1023728747.db2.gz RXDRORXTHDMXER-JXFKEZNVSA-N 1 0 312.457 3.927 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cnn1C(C)(C)C ZINC000786902640 1023735354 /nfs/dbraw/zinc/73/53/54/1023735354.db2.gz GLPPJULHVJEHRI-ZDUSSCGKSA-N 1 0 313.445 3.732 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cnn1C(C)C ZINC000786909906 1023737264 /nfs/dbraw/zinc/73/72/64/1023737264.db2.gz CFFUWCHHARKZPJ-OAHLLOKOSA-N 1 0 314.477 3.998 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)cc1 ZINC000786954641 1023741186 /nfs/dbraw/zinc/74/11/86/1023741186.db2.gz VWWVVVYCFFWDQP-IUODEOHRSA-N 1 0 318.383 3.761 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764011 1023743941 /nfs/dbraw/zinc/74/39/41/1023743941.db2.gz CUWNANCVOZWLBJ-DGCLKSJQSA-N 1 0 311.372 3.813 20 10 DHCDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1O ZINC000787405911 1023793322 /nfs/dbraw/zinc/79/33/22/1023793322.db2.gz HEMGXUYLZIPFBF-UVTDQMKNSA-N 1 0 312.369 3.836 20 10 DHCDRO COc1ccc(C[NH+](C)C)cc1NCc1c(C)cccc1OC ZINC000876844436 1033163247 /nfs/dbraw/zinc/16/32/47/1033163247.db2.gz AGTDJYXIOADNRO-UHFFFAOYSA-N 1 0 314.429 3.686 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)c1 ZINC000756788909 1023849778 /nfs/dbraw/zinc/84/97/78/1023849778.db2.gz YNFKHEMGHPSBGQ-CQSZACIVSA-N 1 0 307.434 3.863 20 10 DHCDRO C[N@H+](CCC[C@H]1CCOC1)Cc1ccc(N2CCCCC2)cc1 ZINC000788442315 1023893252 /nfs/dbraw/zinc/89/32/52/1023893252.db2.gz DJIYXMNGSFQZTD-IBGZPJMESA-N 1 0 316.489 3.925 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c(O)c1 ZINC000788501605 1023895770 /nfs/dbraw/zinc/89/57/70/1023895770.db2.gz FVGMKVKBBJYVBB-FUHWJXTLSA-N 1 0 312.457 3.963 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000788537855 1023901141 /nfs/dbraw/zinc/90/11/41/1023901141.db2.gz KLPHOAHAWXACCL-QZTJIDSGSA-N 1 0 319.832 3.893 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000788532170 1023906538 /nfs/dbraw/zinc/90/65/38/1023906538.db2.gz MZAUIDNNWQOZEE-KRWDZBQOSA-N 1 0 310.441 3.707 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000788600388 1023911118 /nfs/dbraw/zinc/91/11/18/1023911118.db2.gz CKOVLRCEBYMJEH-FUHWJXTLSA-N 1 0 313.441 3.826 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c(O)c1 ZINC000788693332 1023921337 /nfs/dbraw/zinc/92/13/37/1023921337.db2.gz SFFNHEXSVAERGS-HOTGVXAUSA-N 1 0 305.462 3.848 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000788671688 1023922590 /nfs/dbraw/zinc/92/25/90/1023922590.db2.gz NGBOWPVDJVKFDQ-BBWFWOEESA-N 1 0 305.462 3.991 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c(O)c1 ZINC000788779953 1023938572 /nfs/dbraw/zinc/93/85/72/1023938572.db2.gz ZVCQTWNDLUWALA-BEFAXECRSA-N 1 0 305.462 3.991 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOC(F)(F)F ZINC000788966204 1023953545 /nfs/dbraw/zinc/95/35/45/1023953545.db2.gz MVCKBACHYAUNIB-UHFFFAOYSA-N 1 0 311.303 3.685 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)c(O)c1 ZINC000876880497 1033176455 /nfs/dbraw/zinc/17/64/55/1033176455.db2.gz JXOUMMDIILVVCO-IBGZPJMESA-N 1 0 310.441 3.627 20 10 DHCDRO CC1CCC(C)([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000236780591 1024049047 /nfs/dbraw/zinc/04/90/47/1024049047.db2.gz JQVMOVCNDPITIT-UHFFFAOYSA-N 1 0 320.452 3.721 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000789586344 1024119587 /nfs/dbraw/zinc/11/95/87/1024119587.db2.gz LQASWJYMSUOMMS-QGZVFWFLSA-N 1 0 319.832 3.735 20 10 DHCDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000789586096 1024119856 /nfs/dbraw/zinc/11/98/56/1024119856.db2.gz JZQMQCXJIQCQAF-BZUAXINKSA-N 1 0 320.452 3.529 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)N(C)C1CC1 ZINC000130702497 1024204811 /nfs/dbraw/zinc/20/48/11/1024204811.db2.gz ZURQTFLTELATOZ-IAGOWNOFSA-N 1 0 315.505 3.810 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C[C@H](C)O ZINC000268974770 1024206481 /nfs/dbraw/zinc/20/64/81/1024206481.db2.gz JATJUIOUEARKIT-IXDOHACOSA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269079612 1024237182 /nfs/dbraw/zinc/23/71/82/1024237182.db2.gz ZEGXZNUQLWPXDS-VQTJNVASSA-N 1 0 312.457 3.917 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697826766 1033196111 /nfs/dbraw/zinc/19/61/11/1033196111.db2.gz XYYHVUYVBCGOQZ-ZIAGYGMSSA-N 1 0 322.449 3.512 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790499506 1024313976 /nfs/dbraw/zinc/31/39/76/1024313976.db2.gz XJWYOZLQAOKSLQ-YJBOKZPZSA-N 1 0 303.494 3.524 20 10 DHCDRO CCC[C@@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883251048 1024319832 /nfs/dbraw/zinc/31/98/32/1024319832.db2.gz ZRDUMZFHYXVFSP-MRXNPFEDSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000876994956 1033202201 /nfs/dbraw/zinc/20/22/01/1033202201.db2.gz TZDGIZQEOBOYET-INIZCTEOSA-N 1 0 303.402 3.797 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000790533524 1024322627 /nfs/dbraw/zinc/32/26/27/1024322627.db2.gz ORGZSBZNZGCBIU-UHFFFAOYSA-N 1 0 315.266 3.720 20 10 DHCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000883269840 1024341518 /nfs/dbraw/zinc/34/15/18/1024341518.db2.gz YBFQZQFMKTUWPU-BXWFABGCSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000131494503 1024370418 /nfs/dbraw/zinc/37/04/18/1024370418.db2.gz YQLUDKVDLFATBX-OAHLLOKOSA-N 1 0 308.441 3.893 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000278898609 1024381704 /nfs/dbraw/zinc/38/17/04/1024381704.db2.gz ZDHGKKKDRTUQGM-KXUCPTDWSA-N 1 0 304.217 3.775 20 10 DHCDRO c1cc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc2c1OCC2 ZINC000790955540 1024404324 /nfs/dbraw/zinc/40/43/24/1024404324.db2.gz SKSSNHMDLLUHPA-UHFFFAOYSA-N 1 0 309.409 3.700 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000270666057 1024414901 /nfs/dbraw/zinc/41/49/01/1024414901.db2.gz VAKDNKQPVMBIOZ-JKIFEVAISA-N 1 0 318.486 3.977 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c(O)c1 ZINC000883382689 1024414986 /nfs/dbraw/zinc/41/49/86/1024414986.db2.gz LIFHBOAPCFODTQ-PKOBYXMFSA-N 1 0 315.388 3.906 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000790995994 1024416533 /nfs/dbraw/zinc/41/65/33/1024416533.db2.gz UBIMDVRWYFJVEL-SFHVURJKSA-N 1 0 302.462 3.724 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000877024486 1033210918 /nfs/dbraw/zinc/21/09/18/1033210918.db2.gz FRHARRGAIMQVGN-IBGZPJMESA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000132282877 1024467342 /nfs/dbraw/zinc/46/73/42/1024467342.db2.gz IVNATTACSCHQJG-LLVKDONJSA-N 1 0 323.443 3.884 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3c(C)cccc3O)c2c1 ZINC000877037639 1033214960 /nfs/dbraw/zinc/21/49/60/1033214960.db2.gz UEERWFXNWMDCCL-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(O)c1 ZINC000101591829 1024516682 /nfs/dbraw/zinc/51/66/82/1024516682.db2.gz CEJCBWRGNIRFRZ-MRXNPFEDSA-N 1 0 301.386 3.941 20 10 DHCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271514342 1024529085 /nfs/dbraw/zinc/52/90/85/1024529085.db2.gz NPKCERUFTYVCHO-SJORKVTESA-N 1 0 304.478 3.736 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCCc2ccccc2)c1O ZINC000228668966 1024604888 /nfs/dbraw/zinc/60/48/88/1024604888.db2.gz WNMOSXZNUMLJEX-UHFFFAOYSA-N 1 0 305.805 3.777 20 10 DHCDRO COC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)CCCC1 ZINC000792161803 1024639339 /nfs/dbraw/zinc/63/93/39/1024639339.db2.gz JJPGBNQDRHNAMK-UHFFFAOYSA-N 1 0 315.413 3.947 20 10 DHCDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc2ccccc2c1O ZINC000321055112 1024649390 /nfs/dbraw/zinc/64/93/90/1024649390.db2.gz WTXJVUFEXRYMTK-OAHLLOKOSA-N 1 0 309.413 3.873 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000166947822 1024661303 /nfs/dbraw/zinc/66/13/03/1024661303.db2.gz MYCUOLBNFMOUPY-CYBMUJFWSA-N 1 0 301.434 3.716 20 10 DHCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877068476 1033227541 /nfs/dbraw/zinc/22/75/41/1033227541.db2.gz XAAPOJDQSPAEIR-JKSUJKDBSA-N 1 0 304.478 3.562 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCF)C2)c1O ZINC000689885873 1024698369 /nfs/dbraw/zinc/69/83/69/1024698369.db2.gz LHWGULRSGVPNGH-NSHDSACASA-N 1 0 301.789 3.626 20 10 DHCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877093810 1033238023 /nfs/dbraw/zinc/23/80/23/1033238023.db2.gz FNLGYQMHAKEDOR-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1CCOCC1 ZINC000112731170 1024785387 /nfs/dbraw/zinc/78/53/87/1024785387.db2.gz DCAXQBINRKPAIU-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(C)c2)c1O ZINC000897417310 1024789184 /nfs/dbraw/zinc/78/91/84/1024789184.db2.gz JLFGFKIIWGXMEP-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO COCCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793002372 1024862234 /nfs/dbraw/zinc/86/22/34/1024862234.db2.gz XSQCPSJYLHGQSI-UHFFFAOYSA-N 1 0 318.383 3.676 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000747100728 1024870526 /nfs/dbraw/zinc/87/05/26/1024870526.db2.gz PZRXJCYYXBKBOJ-QZTJIDSGSA-N 1 0 324.468 3.805 20 10 DHCDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000747100149 1024885557 /nfs/dbraw/zinc/88/55/57/1024885557.db2.gz ATBZFDDEIGVCHB-INIZCTEOSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(C(C)C)c2)c(O)c1OC ZINC000893676230 1024908321 /nfs/dbraw/zinc/90/83/21/1024908321.db2.gz QTSYPMOYTOJTNL-UHFFFAOYSA-N 1 0 315.413 3.823 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000877123308 1033247253 /nfs/dbraw/zinc/24/72/53/1033247253.db2.gz SHKWWENSEPLBPP-AWEZNQCLSA-N 1 0 323.396 3.644 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](O)c1ccccc1 ZINC000793235904 1024948304 /nfs/dbraw/zinc/94/83/04/1024948304.db2.gz HLXRBWKSKVNPJD-AZUAARDMSA-N 1 0 313.441 3.996 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000793352753 1025022691 /nfs/dbraw/zinc/02/26/91/1025022691.db2.gz NLFXGNJMQGNUHN-PBHICJAKSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2SC)c(O)c1 ZINC000793387459 1025029442 /nfs/dbraw/zinc/02/94/42/1025029442.db2.gz FBSCDDRBSKCPKV-CYBMUJFWSA-N 1 0 317.454 3.844 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCC1(F)F ZINC000825944315 1033260990 /nfs/dbraw/zinc/26/09/90/1033260990.db2.gz SXZHRAZAAUGSBL-SECBINFHSA-N 1 0 320.177 3.632 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1C(C)C ZINC000884483365 1025134654 /nfs/dbraw/zinc/13/46/54/1025134654.db2.gz RINXOFHVHNQEPZ-KXBFYZLASA-N 1 0 303.446 3.825 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000777130477 1033268333 /nfs/dbraw/zinc/26/83/33/1033268333.db2.gz SUQPBGYFDIPEJN-QWHZDKJVSA-N 1 0 302.462 3.688 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc1Cl ZINC000825944093 1033268880 /nfs/dbraw/zinc/26/88/80/1033268880.db2.gz PTUGXVYXMKRPPP-GTNSWQLSSA-N 1 0 303.789 3.966 20 10 DHCDRO Brc1cc(C[NH2+]C2CC2)ccc1N1CCCCC1 ZINC000232487922 1025265394 /nfs/dbraw/zinc/26/53/94/1025265394.db2.gz LAAKANFHPSRPDX-UHFFFAOYSA-N 1 0 309.251 3.691 20 10 DHCDRO CCN(C#N)CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001168244626 1025381438 /nfs/dbraw/zinc/38/14/38/1025381438.db2.gz QXGPMFMFDKADSM-KRWDZBQOSA-N 1 0 323.440 3.758 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1O ZINC000925879740 1025423339 /nfs/dbraw/zinc/42/33/39/1025423339.db2.gz JNNFCXKUHKUSLW-SCDSUCTJSA-N 1 0 316.367 3.579 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008526 1025435924 /nfs/dbraw/zinc/43/59/24/1025435924.db2.gz OPNDKYWPYOMSHL-VQIMIIECSA-N 1 0 301.430 3.563 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(C)cc1O ZINC000279932852 1025512442 /nfs/dbraw/zinc/51/24/42/1025512442.db2.gz ATDAEOZBTIOPHZ-YOEHRIQHSA-N 1 0 305.443 3.711 20 10 DHCDRO Cc1ccnc(N)c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000893864687 1025578034 /nfs/dbraw/zinc/57/80/34/1025578034.db2.gz YUHDNIQWSUTFRO-UHFFFAOYSA-N 1 0 324.472 3.595 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cc1C ZINC000886342406 1025594258 /nfs/dbraw/zinc/59/42/58/1025594258.db2.gz AQBDRYAZPALMLL-GOSISDBHSA-N 1 0 303.446 3.838 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)c(O)c1 ZINC000886363975 1025602513 /nfs/dbraw/zinc/60/25/13/1025602513.db2.gz KZXWTRPCBVCLDB-QGZVFWFLSA-N 1 0 301.361 3.707 20 10 DHCDRO CCOc1cccc(C[NH2+]CCCn2ccc3ccccc32)c1O ZINC000236896955 1025618995 /nfs/dbraw/zinc/61/89/95/1025618995.db2.gz MGZMFIFQIOCQIJ-UHFFFAOYSA-N 1 0 324.424 3.926 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O ZINC000805749234 1025658650 /nfs/dbraw/zinc/65/86/50/1025658650.db2.gz WWTGLVQNWVSVPO-RDJZCZTQSA-N 1 0 319.832 3.690 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1O ZINC000236897919 1025705586 /nfs/dbraw/zinc/70/55/86/1025705586.db2.gz ZJMDJHIACYGFBP-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1O ZINC000236897660 1025707040 /nfs/dbraw/zinc/70/70/40/1025707040.db2.gz ZESSMUAWTOIXTL-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CC(C)SCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000806168168 1025795182 /nfs/dbraw/zinc/79/51/82/1025795182.db2.gz VZUFNBBEHXYMPH-SNVBAGLBSA-N 1 0 318.280 3.947 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000806170044 1025796154 /nfs/dbraw/zinc/79/61/54/1025796154.db2.gz VWVPSGCFPYHGMW-IEBWSBKVSA-N 1 0 318.505 3.982 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000806170043 1025796271 /nfs/dbraw/zinc/79/62/71/1025796271.db2.gz VWVPSGCFPYHGMW-HKUYNNGSSA-N 1 0 318.505 3.982 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCC3(F)CCC3)CC2)cc1 ZINC000806173620 1025798746 /nfs/dbraw/zinc/79/87/46/1025798746.db2.gz KKKRFLMZZRDLPL-UHFFFAOYSA-N 1 0 306.425 3.536 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000886774194 1025894701 /nfs/dbraw/zinc/89/47/01/1025894701.db2.gz JNQDLZSPUYARRX-RDTXWAMCSA-N 1 0 319.445 3.791 20 10 DHCDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N)cc2)cc1)C(C)C ZINC000236995927 1026012949 /nfs/dbraw/zinc/01/29/49/1026012949.db2.gz HTBLOEDRNAUFMI-UHFFFAOYSA-N 1 0 311.429 3.751 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289868455 1026210035 /nfs/dbraw/zinc/21/00/35/1026210035.db2.gz RHXUVTUSUBAUGN-ACJLOTCBSA-N 1 0 317.454 3.901 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1O ZINC000808692937 1026348940 /nfs/dbraw/zinc/34/89/40/1026348940.db2.gz XBUPNBJCXASGDS-MLGOLLRUSA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1O ZINC000808675252 1026353087 /nfs/dbraw/zinc/35/30/87/1026353087.db2.gz ARHUERLQMUXPOR-LBPRGKRZSA-N 1 0 319.836 3.666 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000808675753 1026353176 /nfs/dbraw/zinc/35/31/76/1026353176.db2.gz RDVGSYNQEAWBBP-UONOGXRCSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000808707241 1026358145 /nfs/dbraw/zinc/35/81/45/1026358145.db2.gz IVGJPWGCBFQPED-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O ZINC000808711007 1026360929 /nfs/dbraw/zinc/36/09/29/1026360929.db2.gz ZSAWVNWXQUPVNW-OUENDJJVSA-N 1 0 321.848 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000808695958 1026372330 /nfs/dbraw/zinc/37/23/30/1026372330.db2.gz MIHSHKHVWYSEQF-CJNGLKHVSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1O ZINC000808697676 1026372950 /nfs/dbraw/zinc/37/29/50/1026372950.db2.gz QWTHPIDUCKEFKI-QMTHXVAHSA-N 1 0 311.834 3.800 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1O ZINC000808697195 1026373989 /nfs/dbraw/zinc/37/39/89/1026373989.db2.gz YWCCDVVSNKMISI-ACJLOTCBSA-N 1 0 319.832 3.912 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1O ZINC000808701422 1026374906 /nfs/dbraw/zinc/37/49/06/1026374906.db2.gz XIZNARYKZUTDOS-HIFRSBDPSA-N 1 0 319.832 3.781 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000808702486 1026376087 /nfs/dbraw/zinc/37/60/87/1026376087.db2.gz XOCALRACENXIMB-MBNYWOFBSA-N 1 0 308.853 3.630 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNc2ccccn2)c1O ZINC000808701052 1026376387 /nfs/dbraw/zinc/37/63/87/1026376387.db2.gz ORPYWPLJLODGLT-ZDUSSCGKSA-N 1 0 319.836 3.902 20 10 DHCDRO COc1ccc(Cl)cc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894206794 1026377820 /nfs/dbraw/zinc/37/78/20/1026377820.db2.gz JURLQPDRGWIDPH-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC001204953181 1026441936 /nfs/dbraw/zinc/44/19/36/1026441936.db2.gz TZNVFRYSHCELRJ-UHFFFAOYSA-N 1 0 322.374 3.811 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C)cc1O ZINC000280028794 1026575319 /nfs/dbraw/zinc/57/53/19/1026575319.db2.gz HZDTVLHWRJIUBW-HOTGVXAUSA-N 1 0 302.418 3.637 20 10 DHCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809701567 1026589501 /nfs/dbraw/zinc/58/95/01/1026589501.db2.gz GVZJUTRCSQZNII-ACJLOTCBSA-N 1 0 319.832 3.874 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000809701178 1026590182 /nfs/dbraw/zinc/59/01/82/1026590182.db2.gz VESDYJMAEZVSNW-CJNGLKHVSA-N 1 0 311.853 3.870 20 10 DHCDRO Cc1cccc(CCC[NH2+]Cc2cc(Cl)cc(C)c2O)n1 ZINC000809688815 1026596065 /nfs/dbraw/zinc/59/60/65/1026596065.db2.gz FRLKFTBGNYTMCN-UHFFFAOYSA-N 1 0 304.821 3.780 20 10 DHCDRO COC[C@@H](C)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731017 1026597949 /nfs/dbraw/zinc/59/79/49/1026597949.db2.gz AFUMDBWBMQCMDZ-INIZCTEOSA-N 1 0 316.445 3.630 20 10 DHCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000809703300 1026598929 /nfs/dbraw/zinc/59/89/29/1026598929.db2.gz HSANNGNWJYMCIJ-XLIONFOSSA-N 1 0 315.505 3.591 20 10 DHCDRO CN(CC[NH+]1CCCC1)Cc1cc(-c2ccccc2)ccc1O ZINC000809738266 1026611605 /nfs/dbraw/zinc/61/16/05/1026611605.db2.gz VNPCVZAPJJYCQM-UHFFFAOYSA-N 1 0 310.441 3.587 20 10 DHCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809765522 1026621381 /nfs/dbraw/zinc/62/13/81/1026621381.db2.gz NSEGANLEUGTAJA-UZLBHIALSA-N 1 0 324.468 3.831 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(C)cc1O ZINC000280249572 1026623765 /nfs/dbraw/zinc/62/37/65/1026623765.db2.gz WNNKDOVTWFRQNV-CWLKWCNXSA-N 1 0 301.430 3.699 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000809790121 1026628008 /nfs/dbraw/zinc/62/80/08/1026628008.db2.gz ZMUQIMKMBGLLMG-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810213523 1026708256 /nfs/dbraw/zinc/70/82/56/1026708256.db2.gz UQOUUKVQEWXOJR-TZMCWYRMSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810222394 1026711175 /nfs/dbraw/zinc/71/11/75/1026711175.db2.gz RZTWLXUSCSHVAM-FZMZJTMJSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223056 1026711547 /nfs/dbraw/zinc/71/15/47/1026711547.db2.gz HCZFDSJIDVBGOL-GXFFZTMASA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810224879 1026713480 /nfs/dbraw/zinc/71/34/80/1026713480.db2.gz ZNPKOUWDAWOAED-DGCLKSJQSA-N 1 0 305.340 3.613 20 10 DHCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810261839 1026720593 /nfs/dbraw/zinc/72/05/93/1026720593.db2.gz KSCKOWYKBGVYQH-UMVBOHGHSA-N 1 0 308.441 3.790 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810240167 1026725005 /nfs/dbraw/zinc/72/50/05/1026725005.db2.gz PXSBGYIEJGUHGI-SMDDNHRTSA-N 1 0 319.367 3.716 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238204 1026725989 /nfs/dbraw/zinc/72/59/89/1026725989.db2.gz OFDBFBRTSDNVLF-DDTOSNHZSA-N 1 0 317.351 3.877 20 10 DHCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810245321 1026728805 /nfs/dbraw/zinc/72/88/05/1026728805.db2.gz YXUIZZPSDBOWNU-GUTXKFCHSA-N 1 0 308.441 3.790 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000810257219 1026730701 /nfs/dbraw/zinc/73/07/01/1026730701.db2.gz NMAAIOGYIREYSN-VWYCJHECSA-N 1 0 316.239 3.537 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1O ZINC000811512162 1027026088 /nfs/dbraw/zinc/02/60/88/1027026088.db2.gz FLCRSSICOWUVBW-FQEVSTJZSA-N 1 0 309.409 3.670 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000811793248 1027092503 /nfs/dbraw/zinc/09/25/03/1027092503.db2.gz UVSDJPNQKIASQE-AEFFLSMTSA-N 1 0 301.430 3.543 20 10 DHCDRO Cc1cccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271868263 1027166874 /nfs/dbraw/zinc/16/68/74/1027166874.db2.gz WWVJDNSXVWVKAH-UHFFFAOYSA-N 1 0 319.445 3.691 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000931554140 1027169504 /nfs/dbraw/zinc/16/95/04/1027169504.db2.gz LVEIJDHLYBQQKQ-GYSYKLTISA-N 1 0 303.324 3.543 20 10 DHCDRO Cc1c([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccccc32)cnn1C ZINC000362431358 1027202280 /nfs/dbraw/zinc/20/22/80/1027202280.db2.gz HOVSDIUMVNGTIW-LJQANCHMSA-N 1 0 321.424 3.924 20 10 DHCDRO CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@@H]1CCOC1 ZINC000812297305 1027248093 /nfs/dbraw/zinc/24/80/93/1027248093.db2.gz ZGPUECZIQHVBSX-CQSZACIVSA-N 1 0 311.381 3.902 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000812840007 1027438959 /nfs/dbraw/zinc/43/89/59/1027438959.db2.gz FHERIZOHDBNQJE-AQNXPRMDSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCc3ccccc32)c1 ZINC000319757192 1027607875 /nfs/dbraw/zinc/60/78/75/1027607875.db2.gz VKNLZRPCHABJAC-MRXNPFEDSA-N 1 0 310.441 3.804 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)CCc2ccco2)ccc1OC ZINC000747854989 1027645021 /nfs/dbraw/zinc/64/50/21/1027645021.db2.gz WMGUHZDODDBYAM-OAHLLOKOSA-N 1 0 317.429 3.936 20 10 DHCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000296633480 1027690992 /nfs/dbraw/zinc/69/09/92/1027690992.db2.gz BOENPXLERXLWAT-KGLIPLIRSA-N 1 0 322.449 3.736 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1C ZINC000813791450 1027713541 /nfs/dbraw/zinc/71/35/41/1027713541.db2.gz DTPFESMPMDETFP-MRXNPFEDSA-N 1 0 314.404 3.517 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1C ZINC000813791449 1027713676 /nfs/dbraw/zinc/71/36/76/1027713676.db2.gz DTPFESMPMDETFP-INIZCTEOSA-N 1 0 314.404 3.517 20 10 DHCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000813791002 1027715196 /nfs/dbraw/zinc/71/51/96/1027715196.db2.gz NHERLJHELOCZAA-FQEVSTJZSA-N 1 0 312.457 3.574 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000778996026 1027747957 /nfs/dbraw/zinc/74/79/57/1027747957.db2.gz KJHGJQIDDVDBOE-INIZCTEOSA-N 1 0 303.402 3.821 20 10 DHCDRO Cc1ccoc1C[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000814175357 1027909862 /nfs/dbraw/zinc/90/98/62/1027909862.db2.gz SYEKWIOQWBQFQH-UHFFFAOYSA-N 1 0 324.218 3.997 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1c1ccncc1 ZINC000814227918 1027960586 /nfs/dbraw/zinc/96/05/86/1027960586.db2.gz PVLHDEFMXOASEA-LJQANCHMSA-N 1 0 308.425 3.859 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000527946277 1027980320 /nfs/dbraw/zinc/98/03/20/1027980320.db2.gz HMNNARITWPBUNS-RDJZCZTQSA-N 1 0 302.462 3.758 20 10 DHCDRO COc1ccncc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000814298891 1028000657 /nfs/dbraw/zinc/00/06/57/1028000657.db2.gz WQKVLSKAKCUTHB-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001095 1028029398 /nfs/dbraw/zinc/02/93/98/1028029398.db2.gz KZZUDHQNXNVADH-NVXWUHKLSA-N 1 0 302.462 3.677 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C2CC2)cn1 ZINC000528042618 1028058843 /nfs/dbraw/zinc/05/88/43/1028058843.db2.gz FZWGTXWHTIPCED-VOJFVSQTSA-N 1 0 316.376 3.737 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1ccc(C)cc1O ZINC000366452987 1028080092 /nfs/dbraw/zinc/08/00/92/1028080092.db2.gz SESDQJHOQLTSHM-WBVHZDCISA-N 1 0 313.445 3.824 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000779063198 1028126845 /nfs/dbraw/zinc/12/68/45/1028126845.db2.gz BXPGVGYTCALUDW-IPELMVKDSA-N 1 0 316.489 3.877 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168105153 1028182328 /nfs/dbraw/zinc/18/23/28/1028182328.db2.gz MUQAMARBPZDTTC-IYOUNJFTSA-N 1 0 303.446 3.790 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1[O-] ZINC000367491332 1028192391 /nfs/dbraw/zinc/19/23/91/1028192391.db2.gz SPUKUXVGBICYMC-WWGRRREGSA-N 1 0 308.853 3.713 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000779081620 1028193570 /nfs/dbraw/zinc/19/35/70/1028193570.db2.gz BNGQQFDQJSRNCZ-CQSZACIVSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c(O)cc1C ZINC000159734573 1028196850 /nfs/dbraw/zinc/19/68/50/1028196850.db2.gz FAEOSICVNIYPGI-UHFFFAOYSA-N 1 0 307.340 3.619 20 10 DHCDRO CC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1O ZINC000779083084 1028210978 /nfs/dbraw/zinc/21/09/78/1028210978.db2.gz URQGPPFTDWLHHH-MRXNPFEDSA-N 1 0 310.397 3.604 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)ccc1N(C)C ZINC000815091544 1028343926 /nfs/dbraw/zinc/34/39/26/1028343926.db2.gz VIQPZSCNIKLXMY-MAUKXSAKSA-N 1 0 310.441 3.715 20 10 DHCDRO Cc1cc(CN(C)Cc2nc3ccccc3n2C)ccc1N(C)C ZINC000815072818 1028349076 /nfs/dbraw/zinc/34/90/76/1028349076.db2.gz TWGHLFCSCZGMAI-UHFFFAOYSA-N 1 0 322.456 3.580 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000815112726 1028360385 /nfs/dbraw/zinc/36/03/85/1028360385.db2.gz ZSSPGQIRCMDGQR-RTWAWAEBSA-N 1 0 323.484 3.678 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000368523631 1028365201 /nfs/dbraw/zinc/36/52/01/1028365201.db2.gz VNCFYXSMJJGQGT-RHSMWYFYSA-N 1 0 312.413 3.612 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000160001169 1028378504 /nfs/dbraw/zinc/37/85/04/1028378504.db2.gz QFMBVCKBZGUBET-ROUUACIJSA-N 1 0 318.486 3.763 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(F)cc1[O-] ZINC000368586508 1028381628 /nfs/dbraw/zinc/38/16/28/1028381628.db2.gz YUKTZULHPCMAJE-FJHFEUQMSA-N 1 0 305.324 3.843 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000815148399 1028402772 /nfs/dbraw/zinc/40/27/72/1028402772.db2.gz VIGADNAIMJYTIY-HNNXBMFYSA-N 1 0 311.429 3.628 20 10 DHCDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000187894213 1028481571 /nfs/dbraw/zinc/48/15/71/1028481571.db2.gz LLPFJFICFKUUOJ-JXFKEZNVSA-N 1 0 312.457 3.701 20 10 DHCDRO CO[C@@H](CC[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815619484 1028572534 /nfs/dbraw/zinc/57/25/34/1028572534.db2.gz OQFNNSKZSVFGAL-YPMHNXCESA-N 1 0 305.340 3.627 20 10 DHCDRO COc1ccc(N2CCC([N@H+](C)CCC(F)(F)F)CC2)cc1 ZINC000369817219 1028536579 /nfs/dbraw/zinc/53/65/79/1028536579.db2.gz YUILIDRLWBMOAN-UHFFFAOYSA-N 1 0 316.367 3.548 20 10 DHCDRO Cc1ccc([C@H]([NH2+]Cc2ccccc2O)c2ccccn2)cc1 ZINC000370033412 1028556078 /nfs/dbraw/zinc/55/60/78/1028556078.db2.gz PGSRQSMMJCDHKZ-FQEVSTJZSA-N 1 0 304.393 3.975 20 10 DHCDRO C[C@@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815584687 1028556477 /nfs/dbraw/zinc/55/64/77/1028556477.db2.gz MJUGKFITHLISPR-QFBILLFUSA-N 1 0 313.441 3.674 20 10 DHCDRO CC(C)(CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815596710 1028561543 /nfs/dbraw/zinc/56/15/43/1028561543.db2.gz CAFXFWIOIUSEKZ-GOSISDBHSA-N 1 0 313.441 3.674 20 10 DHCDRO C[C@H](O)C[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815614827 1028568737 /nfs/dbraw/zinc/56/87/37/1028568737.db2.gz BRYYLGOHWJLTQA-TXPKVOOTSA-N 1 0 313.441 3.815 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1 ZINC000815627841 1028580222 /nfs/dbraw/zinc/58/02/22/1028580222.db2.gz LABKDSYDOOESND-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076361168 1028588390 /nfs/dbraw/zinc/58/83/90/1028588390.db2.gz GTAWLEICQKETLN-MRXNPFEDSA-N 1 0 302.462 3.834 20 10 DHCDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815645480 1028588707 /nfs/dbraw/zinc/58/87/07/1028588707.db2.gz HAOIWUQMBVQHEO-STQMWFEESA-N 1 0 314.832 3.575 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2c1c(F)ccc2O ZINC000815648522 1028592435 /nfs/dbraw/zinc/59/24/35/1028592435.db2.gz PLNXUDDVRPFVCK-INWMFGNUSA-N 1 0 321.436 3.858 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000815651980 1028594358 /nfs/dbraw/zinc/59/43/58/1028594358.db2.gz KSECRQVIYVBFAK-CRAIPNDOSA-N 1 0 304.478 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1C ZINC000370373876 1028597129 /nfs/dbraw/zinc/59/71/29/1028597129.db2.gz LDRMBORARKNJOG-KXBFYZLASA-N 1 0 310.441 3.846 20 10 DHCDRO COc1ccc(F)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000816477722 1028886439 /nfs/dbraw/zinc/88/64/39/1028886439.db2.gz IBTQXMGIAKNWSB-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO Cc1noc(C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816491558 1028896617 /nfs/dbraw/zinc/89/66/17/1028896617.db2.gz QHSIZBRFOTWWPT-UHFFFAOYSA-N 1 0 323.396 3.616 20 10 DHCDRO Oc1c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499526 1028908192 /nfs/dbraw/zinc/90/81/92/1028908192.db2.gz SYDOHALJHQYXAD-LJQANCHMSA-N 1 0 324.468 3.996 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548457 1028928561 /nfs/dbraw/zinc/92/85/61/1028928561.db2.gz IKDTZKVGEPYCTA-CQSZACIVSA-N 1 0 307.393 3.972 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816549870 1028928582 /nfs/dbraw/zinc/92/85/82/1028928582.db2.gz AQQRZMLQBCRVBC-SFHVURJKSA-N 1 0 319.408 3.811 20 10 DHCDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548368 1028929747 /nfs/dbraw/zinc/92/97/47/1028929747.db2.gz FMFNZQYMAMSZLJ-HZPDHXFCSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521706 1028932745 /nfs/dbraw/zinc/93/27/45/1028932745.db2.gz XBSYGDLHACIQTL-FUHWJXTLSA-N 1 0 311.425 3.794 20 10 DHCDRO COc1cc(CC[NH2+]Cc2ccc3ccccc3c2O)ccc1O ZINC000816551405 1028932778 /nfs/dbraw/zinc/93/27/78/1028932778.db2.gz ALCHUFFWCQLVIW-UHFFFAOYSA-N 1 0 323.392 3.592 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000779161971 1028933676 /nfs/dbraw/zinc/93/36/76/1028933676.db2.gz HZBANKXLSOKEKL-UHFFFAOYSA-N 1 0 315.438 3.518 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599411 1028955596 /nfs/dbraw/zinc/95/55/96/1028955596.db2.gz LUZMWBZRPCFGJO-MRXNPFEDSA-N 1 0 304.393 3.930 20 10 DHCDRO Oc1c(C[NH+]2CCC3(CCOCC3)CC2)ccc2ccccc21 ZINC000816603548 1028957066 /nfs/dbraw/zinc/95/70/66/1028957066.db2.gz KRCXMQRIWMSIDU-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO Cc1cccc(CCC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816608128 1028961420 /nfs/dbraw/zinc/96/14/20/1028961420.db2.gz PXNJXGNKTZJFOU-UHFFFAOYSA-N 1 0 306.409 3.971 20 10 DHCDRO Oc1c(C[NH2+]CC[C@@H](O)c2ccccc2)ccc2ccccc21 ZINC000816611768 1028963281 /nfs/dbraw/zinc/96/32/81/1028963281.db2.gz WYZNZBGGMSHBBA-LJQANCHMSA-N 1 0 307.393 3.759 20 10 DHCDRO C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2O)c2ccccc2C1 ZINC000816617836 1028964165 /nfs/dbraw/zinc/96/41/65/1028964165.db2.gz JTYCQFFIKQZVRF-UHFFFAOYSA-N 1 0 320.795 3.637 20 10 DHCDRO COc1cc2c(cc1Cl)CN(Cc1cc(F)ccc1O)CC2 ZINC000816664722 1028983438 /nfs/dbraw/zinc/98/34/38/1028983438.db2.gz CBOINDVTSCRDGG-UHFFFAOYSA-N 1 0 321.779 3.752 20 10 DHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)CCC2 ZINC000373254866 1028989875 /nfs/dbraw/zinc/98/98/75/1028989875.db2.gz HDUSQRWOYWURQH-OLZOCXBDSA-N 1 0 319.836 3.779 20 10 DHCDRO CCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000218215346 1029045356 /nfs/dbraw/zinc/04/53/56/1029045356.db2.gz QKDDNEHIBCUIET-UHFFFAOYSA-N 1 0 300.471 3.983 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000817412196 1029152117 /nfs/dbraw/zinc/15/21/17/1029152117.db2.gz GFZFGCPLQNAVOM-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817413287 1029153154 /nfs/dbraw/zinc/15/31/54/1029153154.db2.gz VQOZLQFXJBDRPB-GFCCVEGCSA-N 1 0 317.351 3.955 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779346119 1029170266 /nfs/dbraw/zinc/17/02/66/1029170266.db2.gz UZAIMCUGTKBNAI-SFHVURJKSA-N 1 0 319.399 3.913 20 10 DHCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC000817575171 1029202917 /nfs/dbraw/zinc/20/29/17/1029202917.db2.gz FQVUDNLLUXMYOZ-INIZCTEOSA-N 1 0 302.462 3.724 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2CCc3cccnc3CC2)n1 ZINC000817576991 1029203551 /nfs/dbraw/zinc/20/35/51/1029203551.db2.gz BMYBTUSGOCTJGN-AWEZNQCLSA-N 1 0 319.499 3.558 20 10 DHCDRO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000155463237 1029235030 /nfs/dbraw/zinc/23/50/30/1029235030.db2.gz PAGKWVGBABHUJP-ZBFHGGJFSA-N 1 0 305.462 3.733 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817938345 1029283047 /nfs/dbraw/zinc/28/30/47/1029283047.db2.gz JEENDUJWLWOCOT-JXFKEZNVSA-N 1 0 311.473 3.720 20 10 DHCDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955686 1029293217 /nfs/dbraw/zinc/29/32/17/1029293217.db2.gz FJQGVFOQLUIVBA-GFCCVEGCSA-N 1 0 304.821 3.824 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(OC(F)F)c1 ZINC000817955873 1029293299 /nfs/dbraw/zinc/29/32/99/1029293299.db2.gz JXQAJOPXCPIBOK-GFCCVEGCSA-N 1 0 306.356 3.764 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954954 1029294832 /nfs/dbraw/zinc/29/48/32/1029294832.db2.gz NLAJGDZPLMNFLY-HOTGVXAUSA-N 1 0 304.821 3.786 20 10 DHCDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(N)cc1 ZINC000817956028 1029296316 /nfs/dbraw/zinc/29/63/16/1029296316.db2.gz OCTWOWSBBYZGGK-IBGZPJMESA-N 1 0 300.421 3.807 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1O ZINC000817958728 1029296456 /nfs/dbraw/zinc/29/64/56/1029296456.db2.gz XQGAYRIGPXPJIB-INIZCTEOSA-N 1 0 304.821 3.911 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817956884 1029297156 /nfs/dbraw/zinc/29/71/56/1029297156.db2.gz FJMGSHNDNRTDFE-LJQANCHMSA-N 1 0 305.425 3.960 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc2c(cc1O)CCCC2 ZINC000817956922 1029297262 /nfs/dbraw/zinc/29/72/62/1029297262.db2.gz FZWMHGZPVJTMOA-AWEZNQCLSA-N 1 0 310.441 3.747 20 10 DHCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000817962564 1029301448 /nfs/dbraw/zinc/30/14/48/1029301448.db2.gz KJOYZKUSJFVBBE-MNOVXSKESA-N 1 0 306.356 3.541 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817976763 1029312793 /nfs/dbraw/zinc/31/27/93/1029312793.db2.gz SXFSRLATRDXDKI-GHMZBOCLSA-N 1 0 304.356 3.579 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(N(C)C)cc1 ZINC000817974522 1029313458 /nfs/dbraw/zinc/31/34/58/1029313458.db2.gz BXSZUURXNDPXCN-HNNXBMFYSA-N 1 0 309.457 3.962 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817976383 1029314219 /nfs/dbraw/zinc/31/42/19/1029314219.db2.gz KXSBHLCGUYARBT-VHSXEESVSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817979397 1029315837 /nfs/dbraw/zinc/31/58/37/1029315837.db2.gz AQUGCAUMPXWXAI-QWRGUYRKSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983043 1029319973 /nfs/dbraw/zinc/31/99/73/1029319973.db2.gz XPSJBNAMSMDWRA-PXWWUCIGSA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1[O-] ZINC000817984016 1029323630 /nfs/dbraw/zinc/32/36/30/1029323630.db2.gz UVUMQUJIGBNQIF-GUYCJALGSA-N 1 0 302.393 3.662 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3C)C2)cc1 ZINC000818220532 1029356678 /nfs/dbraw/zinc/35/66/78/1029356678.db2.gz LJWAUPZWDREXET-QGZVFWFLSA-N 1 0 310.441 3.620 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(Cl)o3)C2)cc1 ZINC000818220474 1029357732 /nfs/dbraw/zinc/35/77/32/1029357732.db2.gz KSBFIFXBKGZSFS-CYBMUJFWSA-N 1 0 320.820 3.558 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C(C)C)C2)cc1 ZINC000818342294 1029372700 /nfs/dbraw/zinc/37/27/00/1029372700.db2.gz ONUNDNDMCLOUNE-LZQZEXGQSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C(C)C)C2)cc1 ZINC000818342293 1029372879 /nfs/dbraw/zinc/37/28/79/1029372879.db2.gz ONUNDNDMCLOUNE-AYOQOUSVSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CCC3CC3)C2)cc1 ZINC000818341947 1029373158 /nfs/dbraw/zinc/37/31/58/1029373158.db2.gz JKDRSPONTSILFL-NVXWUHKLSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC3CCC3)C2)cc1 ZINC000818342990 1029374576 /nfs/dbraw/zinc/37/45/76/1029374576.db2.gz XNNHEBKUHAIDFV-DOTOQJQBSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000818342175 1029376020 /nfs/dbraw/zinc/37/60/20/1029376020.db2.gz MWBQBYOLMLPAKV-LPHOPBHVSA-N 1 0 314.473 3.834 20 10 DHCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953287 1029444273 /nfs/dbraw/zinc/44/42/73/1029444273.db2.gz FPWCOEZACOWJGV-UWJYYQICSA-N 1 0 324.468 3.541 20 10 DHCDRO CO[C@](C)(C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000820851868 1029780197 /nfs/dbraw/zinc/78/01/97/1029780197.db2.gz UCYZINYSISBMPY-HXUWFJFHSA-N 1 0 316.489 3.924 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000290206238 1029946442 /nfs/dbraw/zinc/94/64/42/1029946442.db2.gz QBNCHAXKHQWFSN-INIZCTEOSA-N 1 0 321.804 3.532 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000865639864 1029956404 /nfs/dbraw/zinc/95/64/04/1029956404.db2.gz APQMMQYLFTXXPL-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1 ZINC000865727501 1029991491 /nfs/dbraw/zinc/99/14/91/1029991491.db2.gz ZXCQUBZTTUBYQA-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000822818768 1030135588 /nfs/dbraw/zinc/13/55/88/1030135588.db2.gz UPABWSYWKYLJHH-VHSXEESVSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)F)c1O ZINC000866409526 1030285790 /nfs/dbraw/zinc/28/57/90/1030285790.db2.gz MRHMHNHKTAGKCU-QMMMGPOBSA-N 1 0 320.202 3.562 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866410755 1030284901 /nfs/dbraw/zinc/28/49/01/1030284901.db2.gz RKDQPGBLVZEQGU-RDTXWAMCSA-N 1 0 318.436 3.646 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(C)cc1O ZINC000866426187 1030292747 /nfs/dbraw/zinc/29/27/47/1030292747.db2.gz UVHKBXQCAWTADB-GDBMZVCRSA-N 1 0 307.434 3.531 20 10 DHCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823459026 1030293519 /nfs/dbraw/zinc/29/35/19/1030293519.db2.gz MSVWCRFFHLUFHT-OAHLLOKOSA-N 1 0 318.486 3.587 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)CCCC2 ZINC000777547533 1030296281 /nfs/dbraw/zinc/29/62/81/1030296281.db2.gz CLPMQWGOFSAIAF-LJQANCHMSA-N 1 0 315.457 3.662 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000866480390 1030320296 /nfs/dbraw/zinc/32/02/96/1030320296.db2.gz CREKPGFZOIHLBV-KDOFPFPSSA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000866484994 1030320829 /nfs/dbraw/zinc/32/08/29/1030320829.db2.gz BZEJPLNCNGFHRQ-RYUDHWBXSA-N 1 0 312.369 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000866511652 1030337697 /nfs/dbraw/zinc/33/76/97/1030337697.db2.gz DWZWHCUOXIMNKG-IEZWGBDMSA-N 1 0 303.446 3.947 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000866513608 1030339937 /nfs/dbraw/zinc/33/99/37/1030339937.db2.gz WVBZYWUUOFUTAP-BNLOLNQZSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000866513610 1030340624 /nfs/dbraw/zinc/34/06/24/1030340624.db2.gz WVBZYWUUOFUTAP-PLQHRBFRSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(Cl)ccc1O ZINC000866528071 1030345148 /nfs/dbraw/zinc/34/51/48/1030345148.db2.gz BDBVJYRKWYVCBF-OLZOCXBDSA-N 1 0 309.837 3.903 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2c1c(F)ccc2O ZINC000866528247 1030347146 /nfs/dbraw/zinc/34/71/46/1030347146.db2.gz CIPVXBUJULJMRO-VNHYZAJKSA-N 1 0 319.420 3.876 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)c2c1c(F)ccc2O ZINC000866528245 1030347511 /nfs/dbraw/zinc/34/75/11/1030347511.db2.gz CIPVXBUJULJMRO-NFAWXSAZSA-N 1 0 319.420 3.876 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cs1 ZINC000823666459 1030359000 /nfs/dbraw/zinc/35/90/00/1030359000.db2.gz KZWJKRKOFXJWQA-UHFFFAOYSA-N 1 0 318.511 3.900 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540929 1030361914 /nfs/dbraw/zinc/36/19/14/1030361914.db2.gz UEAAEIXZSNJIST-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCSCCC(F)(F)F)CC2 ZINC000866543474 1030364864 /nfs/dbraw/zinc/36/48/64/1030364864.db2.gz WWSINXMRVPTNGR-NSHDSACASA-N 1 0 305.365 3.655 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000291153355 1030367626 /nfs/dbraw/zinc/36/76/26/1030367626.db2.gz IMPJDBIOYDGLCJ-HUUCEWRRSA-N 1 0 314.404 3.708 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC000866568770 1030381232 /nfs/dbraw/zinc/38/12/32/1030381232.db2.gz CMPBNPNKNPDJAG-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000866610062 1030400677 /nfs/dbraw/zinc/40/06/77/1030400677.db2.gz PXTSLXDJGAVHGZ-ZLKJLUDKSA-N 1 0 315.335 3.949 20 10 DHCDRO CC[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(N(C)C)cc1 ZINC000777566188 1030411844 /nfs/dbraw/zinc/41/18/44/1030411844.db2.gz JVWXMKQOLFXVJO-IBGZPJMESA-N 1 0 321.428 3.897 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc2c(cc1O)CCCC2 ZINC000866633321 1030413944 /nfs/dbraw/zinc/41/39/44/1030413944.db2.gz UBDSMJQHWCVBEE-SUMWQHHRSA-N 1 0 311.429 3.653 20 10 DHCDRO C[C@@H](c1cc(Cl)ccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925754192 1030483403 /nfs/dbraw/zinc/48/34/03/1030483403.db2.gz MEMYABUXKIHMCR-NSHDSACASA-N 1 0 318.804 3.583 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000121885601 1030492812 /nfs/dbraw/zinc/49/28/12/1030492812.db2.gz FADVPSXJAGKSON-MJBXVCDLSA-N 1 0 324.515 3.563 20 10 DHCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824250300 1030512524 /nfs/dbraw/zinc/51/25/24/1030512524.db2.gz MHKDSHCMLITGDI-GJZGRUSLSA-N 1 0 318.486 3.898 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824416297 1030558494 /nfs/dbraw/zinc/55/84/94/1030558494.db2.gz MHKDSHCMLITGDI-HUUCEWRRSA-N 1 0 318.486 3.898 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000824522637 1030574455 /nfs/dbraw/zinc/57/44/55/1030574455.db2.gz ZKKOSUAJFJMCJX-UHFFFAOYSA-N 1 0 323.864 3.871 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccsc3)C1)CCC2 ZINC000122186552 1030590439 /nfs/dbraw/zinc/59/04/39/1030590439.db2.gz WFNKCVNMNULGGI-GOSISDBHSA-N 1 0 315.438 3.516 20 10 DHCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636113 1030597283 /nfs/dbraw/zinc/59/72/83/1030597283.db2.gz LVXGCQAUGUCLAG-MJGOQNOKSA-N 1 0 311.425 3.652 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c(O)c1 ZINC000824714266 1030619282 /nfs/dbraw/zinc/61/92/82/1030619282.db2.gz AVMXGGMDPNFONK-DGCLKSJQSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000824716404 1030619528 /nfs/dbraw/zinc/61/95/28/1030619528.db2.gz UFPNFZRJMSDCQK-WCQYABFASA-N 1 0 317.351 3.954 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)cn1 ZINC001136929504 1030621777 /nfs/dbraw/zinc/62/17/77/1030621777.db2.gz NNAVFJVLHQUGNM-UHFFFAOYSA-N 1 0 315.848 3.967 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCC3(F)F)CC2)cc1 ZINC000824799065 1030641601 /nfs/dbraw/zinc/64/16/01/1030641601.db2.gz KDBBHRHZIYJZJH-CQSZACIVSA-N 1 0 324.415 3.689 20 10 DHCDRO FCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000824790628 1030652165 /nfs/dbraw/zinc/65/21/65/1030652165.db2.gz XAKOSXGRKLNAHD-UHFFFAOYSA-N 1 0 320.452 3.533 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000824893287 1030661174 /nfs/dbraw/zinc/66/11/74/1030661174.db2.gz OQFBKTLSTHOABD-MOPGFXCFSA-N 1 0 314.473 3.534 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H](C)O ZINC000824921298 1030670635 /nfs/dbraw/zinc/67/06/35/1030670635.db2.gz IOJIYJUYQVCVFF-KDOFPFPSSA-N 1 0 318.486 3.634 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000824971739 1030688485 /nfs/dbraw/zinc/68/84/85/1030688485.db2.gz XSNNVSRSQGGAAJ-AWEZNQCLSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C(C)C)CC2)cc1 ZINC000824977022 1030691625 /nfs/dbraw/zinc/69/16/25/1030691625.db2.gz HXYSAIHYODTGRX-KXBFYZLASA-N 1 0 302.462 3.546 20 10 DHCDRO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000825112407 1030727513 /nfs/dbraw/zinc/72/75/13/1030727513.db2.gz SYZHVVXUQOXXCU-SFHVURJKSA-N 1 0 308.425 3.682 20 10 DHCDRO COc1cc(Cl)cc(CNc2ccc3c([nH+]2)CCC3)c1O ZINC000825124672 1030731833 /nfs/dbraw/zinc/73/18/33/1030731833.db2.gz VUXGYOVKYWBNCZ-UHFFFAOYSA-N 1 0 304.777 3.550 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC000825144551 1030735796 /nfs/dbraw/zinc/73/57/96/1030735796.db2.gz ONKZVLCLYXXSRN-UHFFFAOYSA-N 1 0 322.811 3.844 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCCCNc2ccccn2)cc1Cl ZINC000825214406 1030747847 /nfs/dbraw/zinc/74/78/47/1030747847.db2.gz FMEPPQVKMRBMGG-UHFFFAOYSA-N 1 0 319.836 3.731 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000825232046 1030756422 /nfs/dbraw/zinc/75/64/22/1030756422.db2.gz LLYSPSFZCZSZQB-ZLKJLUDKSA-N 1 0 317.351 3.613 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)cc1Cl ZINC000825253661 1030762227 /nfs/dbraw/zinc/76/22/27/1030762227.db2.gz JJPQUNZTTQCHAY-HNNXBMFYSA-N 1 0 303.789 3.837 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2cccs2)cc1Cl ZINC000825291677 1030767403 /nfs/dbraw/zinc/76/74/03/1030767403.db2.gz OPEQFSVOWSHGOV-CYBMUJFWSA-N 1 0 311.834 3.629 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000825321166 1030775975 /nfs/dbraw/zinc/77/59/75/1030775975.db2.gz UAAHUWGDAXUHMD-DAXOMENPSA-N 1 0 309.837 3.647 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(C)o1 ZINC000825325517 1030776050 /nfs/dbraw/zinc/77/60/50/1030776050.db2.gz GWABNYVJVCRIJE-CQSZACIVSA-N 1 0 309.793 3.733 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000825332194 1030777021 /nfs/dbraw/zinc/77/70/21/1030777021.db2.gz XLQRTLHJQUTYGV-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000825341738 1030780530 /nfs/dbraw/zinc/78/05/30/1030780530.db2.gz RARIGSAOJVTSRF-AWEZNQCLSA-N 1 0 309.837 3.935 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926597582 1030819961 /nfs/dbraw/zinc/81/99/61/1030819961.db2.gz ZRYYIESGQMZGFL-IAGOWNOFSA-N 1 0 311.473 3.608 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926597581 1030821085 /nfs/dbraw/zinc/82/10/85/1030821085.db2.gz ZRYYIESGQMZGFL-DLBZAZTESA-N 1 0 311.473 3.608 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1C ZINC000237401505 1030875309 /nfs/dbraw/zinc/87/53/09/1030875309.db2.gz MAEGBLOAVPOVOA-QGZVFWFLSA-N 1 0 314.429 3.523 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926905897 1030981756 /nfs/dbraw/zinc/98/17/56/1030981756.db2.gz QZVFRUXXOWDAEP-ZLDLUXBVSA-N 1 0 317.351 3.933 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000926921094 1030997709 /nfs/dbraw/zinc/99/77/09/1030997709.db2.gz YPHUJXRERWOEKZ-LLVKDONJSA-N 1 0 318.442 3.587 20 10 DHCDRO CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000927069811 1031070849 /nfs/dbraw/zinc/07/08/49/1031070849.db2.gz NEPACDTWBWZSPP-VDZJLULYSA-N 1 0 303.446 3.947 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000927099625 1031088800 /nfs/dbraw/zinc/08/88/00/1031088800.db2.gz QXJYHYLVEZETNK-SFHVURJKSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107121 1031091316 /nfs/dbraw/zinc/09/13/16/1031091316.db2.gz CSJFKHBMFTYXRC-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c(C)c1OC ZINC000927123812 1031106236 /nfs/dbraw/zinc/10/62/36/1031106236.db2.gz BTFQWEUPIFHIMG-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927131862 1031109923 /nfs/dbraw/zinc/10/99/23/1031109923.db2.gz ZEBMVHVQDFKYHV-KBPBESRZSA-N 1 0 305.418 3.543 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927137658 1031112580 /nfs/dbraw/zinc/11/25/80/1031112580.db2.gz AGOWSQAXMXQABZ-RNCFNFMXSA-N 1 0 304.365 3.728 20 10 DHCDRO Cc1nnc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)[nH]1 ZINC000292657539 1031117907 /nfs/dbraw/zinc/11/79/07/1031117907.db2.gz AWBRJPITHJPNJV-AWEZNQCLSA-N 1 0 322.412 3.582 20 10 DHCDRO CC(F)(F)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000292976538 1031277923 /nfs/dbraw/zinc/27/79/23/1031277923.db2.gz MRRCSXPLUWTKLR-UHFFFAOYSA-N 1 0 321.323 3.522 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844761058 1031318347 /nfs/dbraw/zinc/31/83/47/1031318347.db2.gz VFRONRGSDLYNII-MRXNPFEDSA-N 1 0 311.372 3.626 20 10 DHCDRO CCCN(C[C@H]1CCOc2ccccc21)c1ccc(C[NH3+])cc1 ZINC000322132308 1031373075 /nfs/dbraw/zinc/37/30/75/1031373075.db2.gz OMIUMYIWEDWJRH-QGZVFWFLSA-N 1 0 310.441 3.928 20 10 DHCDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c(C)nn1 ZINC000929293928 1031486219 /nfs/dbraw/zinc/48/62/19/1031486219.db2.gz ABTOQATUFCZAII-UHFFFAOYSA-N 1 0 312.461 3.570 20 10 DHCDRO CC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1O ZINC000872110794 1031503013 /nfs/dbraw/zinc/50/30/13/1031503013.db2.gz QLLAMWSEQSERJO-JTQLQIEISA-N 1 0 313.266 3.605 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001144489577 1031640653 /nfs/dbraw/zinc/64/06/53/1031640653.db2.gz JKDPQPBZARPNJN-UHFFFAOYSA-N 1 0 303.789 3.613 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000872721187 1031647377 /nfs/dbraw/zinc/64/73/77/1031647377.db2.gz CVVVSILHDMVGFE-OCCSQVGLSA-N 1 0 321.486 3.580 20 10 DHCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000293869945 1031665634 /nfs/dbraw/zinc/66/56/34/1031665634.db2.gz ZNHJZTDFBJWHKT-ZDUSSCGKSA-N 1 0 312.404 3.587 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1Cl ZINC000825635236 1031672268 /nfs/dbraw/zinc/67/22/68/1031672268.db2.gz XZQKPVAOIVCEHY-KRWDZBQOSA-N 1 0 309.837 3.745 20 10 DHCDRO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516430 1031674384 /nfs/dbraw/zinc/67/43/84/1031674384.db2.gz YERTWPOUQMYXCF-SNVBAGLBSA-N 1 0 307.777 3.650 20 10 DHCDRO Cn1ccnc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293916188 1031697439 /nfs/dbraw/zinc/69/74/39/1031697439.db2.gz XEKVJISVRSEYCE-SFHVURJKSA-N 1 0 321.424 3.589 20 10 DHCDRO CC[N@H+](Cc1cc2cnccc2o1)Cc1ccc(N(C)C)cc1 ZINC000845903655 1031768370 /nfs/dbraw/zinc/76/83/70/1031768370.db2.gz RDWZGLXTUCUTEC-UHFFFAOYSA-N 1 0 309.413 3.916 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1[O-] ZINC000873260471 1031780016 /nfs/dbraw/zinc/78/00/16/1031780016.db2.gz BCPJTFSUJLJTOW-OQMKEHIESA-N 1 0 308.853 3.617 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000845973430 1031787999 /nfs/dbraw/zinc/78/79/99/1031787999.db2.gz ZCGIEHVPTADMMA-SNVBAGLBSA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000845973429 1031788195 /nfs/dbraw/zinc/78/81/95/1031788195.db2.gz ZCGIEHVPTADMMA-JTQLQIEISA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000845972963 1031788308 /nfs/dbraw/zinc/78/83/08/1031788308.db2.gz SUOHTWQPTFDPIT-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(Cl)c(C)c2)c1 ZINC000845971900 1031788449 /nfs/dbraw/zinc/78/84/49/1031788449.db2.gz GOQYZPGGKLOTGA-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1cc2c(cc1O)CCCC2 ZINC000873288489 1031790711 /nfs/dbraw/zinc/79/07/11/1031790711.db2.gz GZZIUJGSTIIGHT-LBPRGKRZSA-N 1 0 314.404 3.843 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(Cl)c1 ZINC000846014895 1031809266 /nfs/dbraw/zinc/80/92/66/1031809266.db2.gz UTMQKXBTBHYPMA-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO COc1c(C)cc(C[NH2+]Cc2cc(Cl)ccc2O)cc1C ZINC000846058186 1031818901 /nfs/dbraw/zinc/81/89/01/1031818901.db2.gz NFLPMNACEJNCAR-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCSC(C)(C)C2)c1O ZINC000897795989 1031838077 /nfs/dbraw/zinc/83/80/77/1031838077.db2.gz VLMACKQGWRSHRS-LBPRGKRZSA-N 1 0 315.866 3.818 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846101618 1031873950 /nfs/dbraw/zinc/87/39/50/1031873950.db2.gz FIDNYDFQLHGOEQ-CYBMUJFWSA-N 1 0 301.261 3.816 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1O ZINC000846149399 1031882008 /nfs/dbraw/zinc/88/20/08/1031882008.db2.gz YXDAVSJLXRQXSL-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C12CCCC2 ZINC000846149416 1031883326 /nfs/dbraw/zinc/88/33/26/1031883326.db2.gz ZDLORQYBCLXQSI-IAOVAPTHSA-N 1 0 319.445 3.789 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1Cl ZINC000897970452 1031885142 /nfs/dbraw/zinc/88/51/42/1031885142.db2.gz JTFRYROXSBRSJP-UHFFFAOYSA-N 1 0 309.837 3.791 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1O ZINC000846152991 1031885563 /nfs/dbraw/zinc/88/55/63/1031885563.db2.gz WIVHIYAEBSVOMR-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)c1O ZINC000846151518 1031886186 /nfs/dbraw/zinc/88/61/86/1031886186.db2.gz ZLUDQEGPVUHGKV-PBHICJAKSA-N 1 0 314.429 3.886 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c1O ZINC000846152993 1031886270 /nfs/dbraw/zinc/88/62/70/1031886270.db2.gz WIVHIYAEBSVOMR-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc3C2)c1O ZINC000846152331 1031886497 /nfs/dbraw/zinc/88/64/97/1031886497.db2.gz RYJYCJAVBURRKE-CABCVRRESA-N 1 0 311.425 3.857 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000846168846 1031895225 /nfs/dbraw/zinc/89/52/25/1031895225.db2.gz MQSHUZRIXSFKFK-VOMCLLRMSA-N 1 0 315.360 3.602 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135273 1031900154 /nfs/dbraw/zinc/90/01/54/1031900154.db2.gz BNHOTCBXQIGZGY-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(Cl)c2)c1O ZINC000846136508 1031900494 /nfs/dbraw/zinc/90/04/94/1031900494.db2.gz JKSWTBYLTAVXAU-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)c1O ZINC000846135786 1031900551 /nfs/dbraw/zinc/90/05/51/1031900551.db2.gz HFBWWPFTVUMLAB-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)c1O ZINC000846142073 1031900606 /nfs/dbraw/zinc/90/06/06/1031900606.db2.gz WEGGEACADQJADX-ZDUSSCGKSA-N 1 0 315.388 3.922 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000846141739 1031902616 /nfs/dbraw/zinc/90/26/16/1031902616.db2.gz RZTHQVMUXOIAJL-SLEUVZQESA-N 1 0 301.386 3.968 20 10 DHCDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142808 1031903890 /nfs/dbraw/zinc/90/38/90/1031903890.db2.gz BHDLCULQAWRMER-BBRMVZONSA-N 1 0 300.402 3.988 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)COc2cccc(F)c2)c1O ZINC000846144236 1031906720 /nfs/dbraw/zinc/90/67/20/1031906720.db2.gz LMGPUPDNOSPBTM-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2cccc(C)c2)c1O ZINC000846147956 1031910543 /nfs/dbraw/zinc/91/05/43/1031910543.db2.gz YPCBPPZOPPMZHL-OAHLLOKOSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000846205894 1031910810 /nfs/dbraw/zinc/91/08/10/1031910810.db2.gz TWMOBWNDNIMVMD-UONOGXRCSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000846188719 1031922288 /nfs/dbraw/zinc/92/22/88/1031922288.db2.gz OSWKOGPWBJZKSP-FTRWYGJKSA-N 1 0 312.457 3.699 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071983 1031942948 /nfs/dbraw/zinc/94/29/48/1031942948.db2.gz WTNJIRJSFYVZMS-NSHDSACASA-N 1 0 308.834 3.567 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1C ZINC000898169574 1031969865 /nfs/dbraw/zinc/96/98/65/1031969865.db2.gz HENJACLCQAKXCX-UHFFFAOYSA-N 1 0 313.441 3.608 20 10 DHCDRO OCCc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000898172571 1031972113 /nfs/dbraw/zinc/97/21/13/1031972113.db2.gz PCEMDXOEFAXDJX-UHFFFAOYSA-N 1 0 324.468 3.502 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cnn(CC2CCC2)c1 ZINC000898178180 1031978707 /nfs/dbraw/zinc/97/87/07/1031978707.db2.gz YQSNWUXXRWAYQT-LBPRGKRZSA-N 1 0 319.836 3.893 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000898179721 1031982408 /nfs/dbraw/zinc/98/24/08/1031982408.db2.gz NNZVJLNLJJDBCE-OAHLLOKOSA-N 1 0 313.445 3.856 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898322952 1032023020 /nfs/dbraw/zinc/02/30/20/1032023020.db2.gz VFDWWKRLOFYYCZ-MRXNPFEDSA-N 1 0 318.804 3.690 20 10 DHCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877465691 1033309970 /nfs/dbraw/zinc/30/99/70/1033309970.db2.gz VFLBZLNETDKRBF-AEFFLSMTSA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1cccc(O)c1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000877487655 1033318654 /nfs/dbraw/zinc/31/86/54/1033318654.db2.gz CGQGGZZWECVSPV-QGZVFWFLSA-N 1 0 312.413 3.698 20 10 DHCDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877487860 1033320524 /nfs/dbraw/zinc/32/05/24/1033320524.db2.gz CBQHOASPZXBBOJ-LJQANCHMSA-N 1 0 313.441 3.828 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000877492128 1033323219 /nfs/dbraw/zinc/32/32/19/1033323219.db2.gz SFYUHHKBFSDWJT-GOSISDBHSA-N 1 0 316.489 3.658 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(OC)c(OC)c1 ZINC000877515756 1033330518 /nfs/dbraw/zinc/33/05/18/1033330518.db2.gz OGWMUJVUEZGBIF-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000877527435 1033336368 /nfs/dbraw/zinc/33/63/68/1033336368.db2.gz ZUDGYBKXINPTRS-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cccc2OC)c1 ZINC000877533549 1033340185 /nfs/dbraw/zinc/34/01/85/1033340185.db2.gz PUJWPYSQQFDGMS-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(O)c1 ZINC000877548310 1033350518 /nfs/dbraw/zinc/35/05/18/1033350518.db2.gz VPHAMLLQUQBUCP-PXAZEXFGSA-N 1 0 303.427 3.554 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC000877666089 1033402330 /nfs/dbraw/zinc/40/23/30/1033402330.db2.gz VOTDRDGUEQOYHS-SFHVURJKSA-N 1 0 303.377 3.955 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000877662709 1033403418 /nfs/dbraw/zinc/40/34/18/1033403418.db2.gz WJYCIRXKXARKIE-WBVHZDCISA-N 1 0 321.779 3.805 20 10 DHCDRO CCC(C)(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877673607 1033407117 /nfs/dbraw/zinc/40/71/17/1033407117.db2.gz HJMMYHUIPQNIFG-UHFFFAOYSA-N 1 0 304.478 3.564 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000877674940 1033407316 /nfs/dbraw/zinc/40/73/16/1033407316.db2.gz XMWIZLKMMSSYSE-RTBURBONSA-N 1 0 311.425 3.707 20 10 DHCDRO COCc1ccccc1/C=C(/C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703283 1033417788 /nfs/dbraw/zinc/41/77/88/1033417788.db2.gz ZYWBPMGEVAPFLK-GDNBJRDFSA-N 1 0 309.409 3.958 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000877708711 1033421653 /nfs/dbraw/zinc/42/16/53/1033421653.db2.gz UKFGSTLBGLUPIW-HNNXBMFYSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(-c2ccnn2C)c1 ZINC000877755981 1033435188 /nfs/dbraw/zinc/43/51/88/1033435188.db2.gz WIZVHYKNIKNLII-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000877828855 1033476089 /nfs/dbraw/zinc/47/60/89/1033476089.db2.gz QXVYOUYYCFCDEK-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO CO[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172939432 1033477097 /nfs/dbraw/zinc/47/70/97/1033477097.db2.gz POBZUQGDHVIDAI-RBUKOAKNSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000152102015 1033502401 /nfs/dbraw/zinc/50/24/01/1033502401.db2.gz BZYNNIUSZLPNEX-QWHCGFSZSA-N 1 0 301.434 3.639 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000153145222 1033562281 /nfs/dbraw/zinc/56/22/81/1033562281.db2.gz CFCRXCXLMVHEKR-IAGOWNOFSA-N 1 0 302.462 3.754 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)co2)c1 ZINC000878360561 1033672452 /nfs/dbraw/zinc/67/24/52/1033672452.db2.gz OOUSLERMVOMSME-VIFPVBQESA-N 1 0 315.291 3.863 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc1Cl ZINC000878455015 1033714382 /nfs/dbraw/zinc/71/43/82/1033714382.db2.gz MSXOPSJWZKQPMB-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001173438813 1033727108 /nfs/dbraw/zinc/72/71/08/1033727108.db2.gz ABYFUZCBUHJBLI-CABCVRRESA-N 1 0 306.450 3.525 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1C ZINC000862211572 1033780333 /nfs/dbraw/zinc/78/03/33/1033780333.db2.gz KBTNXVQOAYCAJR-UHFFFAOYSA-N 1 0 301.409 3.617 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000826062911 1033781708 /nfs/dbraw/zinc/78/17/08/1033781708.db2.gz YMSRSYBRMBOMQV-CXAGYDPISA-N 1 0 311.853 3.895 20 10 DHCDRO COCC1([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000777236839 1033798043 /nfs/dbraw/zinc/79/80/43/1033798043.db2.gz DRHIJVKAAOXAIS-MRXNPFEDSA-N 1 0 302.462 3.897 20 10 DHCDRO CSC[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862373993 1033833597 /nfs/dbraw/zinc/83/35/97/1033833597.db2.gz JMYSYBQHWYUFKE-GFCCVEGCSA-N 1 0 314.445 3.606 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3CC(F)(F)C3)C2)cc1 ZINC000862398127 1033840412 /nfs/dbraw/zinc/84/04/12/1033840412.db2.gz YIMHGWPKZKZHLQ-UONOGXRCSA-N 1 0 324.415 3.545 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482676 1033865664 /nfs/dbraw/zinc/86/56/64/1033865664.db2.gz KWAAUSQVHMNSDN-GOSISDBHSA-N 1 0 317.816 3.529 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000879251057 1033965092 /nfs/dbraw/zinc/96/50/92/1033965092.db2.gz CJIXWFQXTJZXTF-MRVPVSSYSA-N 1 0 324.833 3.864 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c(C)c1OC ZINC000927126332 1033965544 /nfs/dbraw/zinc/96/55/44/1033965544.db2.gz WXIIOHLCRTYHBU-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000879649627 1034071323 /nfs/dbraw/zinc/07/13/23/1034071323.db2.gz ZUANFJGSHKGELZ-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000879649335 1034072666 /nfs/dbraw/zinc/07/26/66/1034072666.db2.gz NQGPEARDJRTAFE-MRVPVSSYSA-N 1 0 302.321 3.718 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccccc1O ZINC000879650543 1034073406 /nfs/dbraw/zinc/07/34/06/1034073406.db2.gz GSGWFYRSFYBIBM-NSHDSACASA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651791 1034073600 /nfs/dbraw/zinc/07/36/00/1034073600.db2.gz KTGGKXBQVIAUDF-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652340 1034075962 /nfs/dbraw/zinc/07/59/62/1034075962.db2.gz YFNVFUYQWBYGTO-AWEZNQCLSA-N 1 0 312.413 3.552 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177928182 1034197349 /nfs/dbraw/zinc/19/73/49/1034197349.db2.gz UGJVPQOMISGLGF-GOEBONIOSA-N 1 0 306.425 3.646 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826142375 1034212949 /nfs/dbraw/zinc/21/29/49/1034212949.db2.gz ANQVFCYMLSQKMW-CQSZACIVSA-N 1 0 301.764 3.975 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(N(C)C)cc1 ZINC000178409828 1034234898 /nfs/dbraw/zinc/23/48/98/1034234898.db2.gz DZZQXFSRYWKIKH-QGZVFWFLSA-N 1 0 314.429 3.708 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000179563520 1034315952 /nfs/dbraw/zinc/31/59/52/1034315952.db2.gz MZWMFTOTMNFLSK-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000794663713 1034321865 /nfs/dbraw/zinc/32/18/65/1034321865.db2.gz VDFDRAFSPCZBRD-QMTHXVAHSA-N 1 0 310.319 3.713 20 10 DHCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179664531 1034325520 /nfs/dbraw/zinc/32/55/20/1034325520.db2.gz PUWWYCZSRGCOEE-CYBMUJFWSA-N 1 0 301.386 3.602 20 10 DHCDRO Cc1ccsc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179703686 1034328020 /nfs/dbraw/zinc/32/80/20/1034328020.db2.gz YETNPFBOCGEEFI-UHFFFAOYSA-N 1 0 316.470 3.525 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(CO)c1 ZINC000183222044 1034362304 /nfs/dbraw/zinc/36/23/04/1034362304.db2.gz ICBIIYOCMWFHLQ-MRXNPFEDSA-N 1 0 310.441 3.630 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000183371965 1034379636 /nfs/dbraw/zinc/37/96/36/1034379636.db2.gz YZTKQWFAZJZKGB-HOCLYGCPSA-N 1 0 316.470 3.941 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000183439854 1034384662 /nfs/dbraw/zinc/38/46/62/1034384662.db2.gz XQJBBTIHEBQUTL-BBRMVZONSA-N 1 0 313.397 3.965 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183450432 1034387753 /nfs/dbraw/zinc/38/77/53/1034387753.db2.gz GKTQJCCRQNIRTK-NSHDSACASA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCCC2)o1 ZINC000183480021 1034391286 /nfs/dbraw/zinc/39/12/86/1034391286.db2.gz OEDIXOUXBJMODD-NVXWUHKLSA-N 1 0 314.429 3.781 20 10 DHCDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183597710 1034402496 /nfs/dbraw/zinc/40/24/96/1034402496.db2.gz SJCWTXLBFZQNTB-PBHICJAKSA-N 1 0 313.397 3.737 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](CO)C(C)C ZINC001202514649 1034456381 /nfs/dbraw/zinc/45/63/81/1034456381.db2.gz YORZEWDSQDHRER-VQTJNVASSA-N 1 0 318.505 3.666 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1O ZINC000794801765 1034472856 /nfs/dbraw/zinc/47/28/56/1034472856.db2.gz KZWKEFBJAYDQAD-AEFFLSMTSA-N 1 0 311.429 3.917 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cccnc1 ZINC000184883207 1034508063 /nfs/dbraw/zinc/50/80/63/1034508063.db2.gz VNNVIFCCXCKJTN-QWRGUYRKSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c(O)c1 ZINC000184920288 1034513515 /nfs/dbraw/zinc/51/35/15/1034513515.db2.gz SFCJUUGSBWDTQL-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO COc1ncccc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985328 1034517923 /nfs/dbraw/zinc/51/79/23/1034517923.db2.gz UEKNAUSYKRVTHG-CYBMUJFWSA-N 1 0 312.413 3.525 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794814535 1034519808 /nfs/dbraw/zinc/51/98/08/1034519808.db2.gz LSMCSPIFRFQDJH-DZGCQCFKSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1OC ZINC000185077080 1034526803 /nfs/dbraw/zinc/52/68/03/1034526803.db2.gz QVWIPVUDZYKKHQ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccc(C)cc1O ZINC000794817431 1034527528 /nfs/dbraw/zinc/52/75/28/1034527528.db2.gz NAYRLRQESZCHGJ-YJBOKZPZSA-N 1 0 317.429 3.982 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812326 1034529996 /nfs/dbraw/zinc/52/99/96/1034529996.db2.gz VVEOIPYGAOHGHJ-IRXDYDNUSA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1O ZINC000185121501 1034531108 /nfs/dbraw/zinc/53/11/08/1034531108.db2.gz ZFAFLCFAJKBMOI-JTQLQIEISA-N 1 0 309.768 3.528 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216438 1034535506 /nfs/dbraw/zinc/53/55/06/1034535506.db2.gz FBKYOATUHIFXIS-DIFFPNOSSA-N 1 0 301.361 3.878 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1O ZINC000794818511 1034536710 /nfs/dbraw/zinc/53/67/10/1034536710.db2.gz XFRXLJZKAOBEKE-MJGOQNOKSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C)cc1O ZINC000794816789 1034537268 /nfs/dbraw/zinc/53/72/68/1034537268.db2.gz KQKZIYHCLKEZSX-IEBWSBKVSA-N 1 0 313.441 3.735 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1O ZINC000794817771 1034539511 /nfs/dbraw/zinc/53/95/11/1034539511.db2.gz VQHJYWKKKVCEGT-PKOBYXMFSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000185323370 1034541434 /nfs/dbraw/zinc/54/14/34/1034541434.db2.gz SYIDFCIWZRHZDQ-CQSZACIVSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185349717 1034542194 /nfs/dbraw/zinc/54/21/94/1034542194.db2.gz XPSTUCUCUYVGRC-QWHCGFSZSA-N 1 0 309.413 3.999 20 10 DHCDRO CCc1nc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426465 1034546643 /nfs/dbraw/zinc/54/66/43/1034546643.db2.gz UHCLZPDJJSXGJI-MNOVXSKESA-N 1 0 306.431 3.832 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C)cc1O ZINC000794829528 1034548447 /nfs/dbraw/zinc/54/84/47/1034548447.db2.gz TYEKQXRLDQAOJY-WMZOPIPTSA-N 1 0 302.462 3.758 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000185548523 1034557898 /nfs/dbraw/zinc/55/78/98/1034557898.db2.gz WAFKCFGQRQOVIN-CJNGLKHVSA-N 1 0 303.402 3.894 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)c1 ZINC000185661060 1034565762 /nfs/dbraw/zinc/56/57/62/1034565762.db2.gz BWOFTOUBBCHHRD-KSSFIOAISA-N 1 0 314.429 3.886 20 10 DHCDRO CCOCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000186115970 1034601134 /nfs/dbraw/zinc/60/11/34/1034601134.db2.gz GBILOEZYQOVKJA-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000186159539 1034604031 /nfs/dbraw/zinc/60/40/31/1034604031.db2.gz MHKIUXPEUIEZAD-BEFAXECRSA-N 1 0 311.425 3.865 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534136 1034638861 /nfs/dbraw/zinc/63/88/61/1034638861.db2.gz HVSSIWUCVFZPPO-IAGOWNOFSA-N 1 0 302.418 3.510 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2nc(C)cs2)c1 ZINC000186565954 1034644705 /nfs/dbraw/zinc/64/47/05/1034644705.db2.gz ZJGXTCXVCJCKJD-CMPLNLGQSA-N 1 0 306.431 3.620 20 10 DHCDRO FC(F)c1ccc(C[NH2+]CCCSc2nccs2)cn1 ZINC000865468236 1034661426 /nfs/dbraw/zinc/66/14/26/1034661426.db2.gz FJUOKPSWZRRPPG-UHFFFAOYSA-N 1 0 315.414 3.748 20 10 DHCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000757995812 1035149834 /nfs/dbraw/zinc/14/98/34/1035149834.db2.gz OMSRLHIAYNBXKR-GOSISDBHSA-N 1 0 302.462 3.678 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC001177066369 1035346691 /nfs/dbraw/zinc/34/66/91/1035346691.db2.gz VUYFRVRTVCQYMM-SHBDEGQCSA-N 1 0 323.484 3.658 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)c1ccccc1 ZINC001177449338 1035369206 /nfs/dbraw/zinc/36/92/06/1035369206.db2.gz BOCNDLGMLGTMFK-KRWDZBQOSA-N 1 0 305.805 3.831 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4scnc4c3)ccc21 ZINC001177529967 1035377203 /nfs/dbraw/zinc/37/72/03/1035377203.db2.gz WVIJWPWBULIEMA-UHFFFAOYSA-N 1 0 323.465 3.969 20 10 DHCDRO COc1cc(C[NH2+]C(C2CC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC001177775306 1035389030 /nfs/dbraw/zinc/38/90/30/1035389030.db2.gz XDHBXQQZHBPVLY-UHFFFAOYSA-N 1 0 303.446 3.977 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1C ZINC001177912303 1035398839 /nfs/dbraw/zinc/39/88/39/1035398839.db2.gz OWOSYJXIJYJLIE-UHFFFAOYSA-N 1 0 303.377 3.918 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1F ZINC001178294909 1035421102 /nfs/dbraw/zinc/42/11/02/1035421102.db2.gz FUVYMJVKBBRAAD-MRXNPFEDSA-N 1 0 308.441 3.721 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1 ZINC001178508876 1035432744 /nfs/dbraw/zinc/43/27/44/1035432744.db2.gz ACYXCQOFZYTUOA-UHFFFAOYSA-N 1 0 317.521 3.887 20 10 DHCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC(C)CC1 ZINC001178628989 1035440156 /nfs/dbraw/zinc/44/01/56/1035440156.db2.gz FRDNWEHJLHTIEG-UHFFFAOYSA-N 1 0 303.446 3.697 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)C[C@@H]3C)C2)cc1 ZINC001179128973 1035466505 /nfs/dbraw/zinc/46/65/05/1035466505.db2.gz KBOMOCOMHWOBFB-RLFYNMQTSA-N 1 0 302.462 3.688 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1F ZINC001179148440 1035467423 /nfs/dbraw/zinc/46/74/23/1035467423.db2.gz OCLBIKPYQFFUNU-OAHLLOKOSA-N 1 0 315.436 3.960 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCC(C)CC2)c(Cl)c1 ZINC001179148810 1035467429 /nfs/dbraw/zinc/46/74/29/1035467429.db2.gz WDIUPFMXJVJGDB-CQSZACIVSA-N 1 0 310.869 3.564 20 10 DHCDRO CCn1cnc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001179295776 1035472053 /nfs/dbraw/zinc/47/20/53/1035472053.db2.gz QLEATSKFUJJHDD-UHFFFAOYSA-N 1 0 322.456 3.643 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001179525353 1035480326 /nfs/dbraw/zinc/48/03/26/1035480326.db2.gz MXZYFJKRVFVTMT-UHFFFAOYSA-N 1 0 321.380 3.623 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000773817395 1035483674 /nfs/dbraw/zinc/48/36/74/1035483674.db2.gz JCNJAZOSHVLGCA-AWEZNQCLSA-N 1 0 312.413 3.722 20 10 DHCDRO CCN(C)c1ccc(CN[C@@H](COC)c2ccc(C)o2)cc1 ZINC000773832697 1035509444 /nfs/dbraw/zinc/50/94/44/1035509444.db2.gz AOAAHKZYRBWROS-KRWDZBQOSA-N 1 0 302.418 3.521 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000773832777 1035509810 /nfs/dbraw/zinc/50/98/10/1035509810.db2.gz PVJYFDJWNFHYLE-LJQANCHMSA-N 1 0 309.457 3.602 20 10 DHCDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000195287458 1035523101 /nfs/dbraw/zinc/52/31/01/1035523101.db2.gz VRKALUWZLODBEK-LBPRGKRZSA-N 1 0 315.486 3.993 20 10 DHCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001179906719 1035545037 /nfs/dbraw/zinc/54/50/37/1035545037.db2.gz ZYIPAICQTQDKOU-QUCCMNQESA-N 1 0 315.505 3.508 20 10 DHCDRO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1 ZINC001179914023 1035546965 /nfs/dbraw/zinc/54/69/65/1035546965.db2.gz QLUPZKVFKIMCQT-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO CO[C@]1(C)C[C@@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001179958188 1035557049 /nfs/dbraw/zinc/55/70/49/1035557049.db2.gz WRPUVZPIROPCEN-NREOILKTSA-N 1 0 316.489 3.901 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(O)c1 ZINC001180052871 1035576150 /nfs/dbraw/zinc/57/61/50/1035576150.db2.gz WEIGVBXWAGLEDE-WBVHZDCISA-N 1 0 307.459 3.569 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000773842117 1035624148 /nfs/dbraw/zinc/62/41/48/1035624148.db2.gz UWLUSEOLEKJJMS-CQSZACIVSA-N 1 0 303.475 3.835 20 10 DHCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001193575708 1035668382 /nfs/dbraw/zinc/66/83/82/1035668382.db2.gz SYNNBYREBVMPPQ-BEFAXECRSA-N 1 0 304.478 3.999 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC001180430601 1035670586 /nfs/dbraw/zinc/67/05/86/1035670586.db2.gz OXGYBJXYIJKICO-WMZOPIPTSA-N 1 0 305.462 3.745 20 10 DHCDRO Oc1ccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c(O)c1 ZINC001204278158 1035745302 /nfs/dbraw/zinc/74/53/02/1035745302.db2.gz VTXJIOQYCCZMOD-INIZCTEOSA-N 1 0 319.401 3.604 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001180917324 1035787155 /nfs/dbraw/zinc/78/71/55/1035787155.db2.gz QNHOZMMILHDXJK-UHFFFAOYSA-N 1 0 304.384 3.672 20 10 DHCDRO COCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC001181112814 1035835009 /nfs/dbraw/zinc/83/50/09/1035835009.db2.gz MVVNWIRYEXDLBE-UHFFFAOYSA-N 1 0 321.461 3.786 20 10 DHCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)nn1 ZINC000929636436 1036160577 /nfs/dbraw/zinc/16/05/77/1036160577.db2.gz VYLMORWJEAIJPM-UHFFFAOYSA-N 1 0 311.429 3.744 20 10 DHCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cccc(C)c1O ZINC000775647299 1036174734 /nfs/dbraw/zinc/17/47/34/1036174734.db2.gz RQZVYZGZGODXNO-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195213806 1036183124 /nfs/dbraw/zinc/18/31/24/1036183124.db2.gz IWJZUFGCMHNSFW-GOSISDBHSA-N 1 0 316.489 3.781 20 10 DHCDRO Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000775648301 1036189654 /nfs/dbraw/zinc/18/96/54/1036189654.db2.gz DFXGGBNRQTYXRR-UHFFFAOYSA-N 1 0 316.832 3.676 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1Cl ZINC001204335061 1036218213 /nfs/dbraw/zinc/21/82/13/1036218213.db2.gz OLACSFNRJAWYOB-KRWDZBQOSA-N 1 0 319.832 3.910 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cn[nH]c1 ZINC000774266919 1036265688 /nfs/dbraw/zinc/26/56/88/1036265688.db2.gz SKJDMZFGFXVMSL-HTQZYQBOSA-N 1 0 300.189 3.834 20 10 DHCDRO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774274426 1036273614 /nfs/dbraw/zinc/27/36/14/1036273614.db2.gz SYOZPDXXKDFBNT-SNVBAGLBSA-N 1 0 315.244 3.612 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000775659632 1036273765 /nfs/dbraw/zinc/27/37/65/1036273765.db2.gz ZRXGHSFQODKJAC-CQSZACIVSA-N 1 0 319.832 3.737 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC001182423427 1036276571 /nfs/dbraw/zinc/27/65/71/1036276571.db2.gz DWWUEBPKOXWKDJ-AWEZNQCLSA-N 1 0 316.420 3.627 20 10 DHCDRO Cc1occc1C[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775662094 1036281214 /nfs/dbraw/zinc/28/12/14/1036281214.db2.gz UFJOPQJRXFLZIL-UHFFFAOYSA-N 1 0 324.218 3.997 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000774377441 1036306653 /nfs/dbraw/zinc/30/66/53/1036306653.db2.gz HXVXBPSOXYTEPZ-OXJNMPFZSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1nnc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000774357130 1036314401 /nfs/dbraw/zinc/31/44/01/1036314401.db2.gz YZOOLCCHOQMCQR-LURJTMIESA-N 1 0 318.229 3.710 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000774400338 1036320366 /nfs/dbraw/zinc/32/03/66/1036320366.db2.gz UENHCPWMIDNVKR-JMPLFQLZSA-N 1 0 319.351 3.542 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC[C@H](C)C2)cc1 ZINC001195790682 1036347459 /nfs/dbraw/zinc/34/74/59/1036347459.db2.gz VKIRIRFCRGYNHI-DLBZAZTESA-N 1 0 304.478 3.890 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCc3ccccc32)cc1 ZINC001182726715 1036438186 /nfs/dbraw/zinc/43/81/86/1036438186.db2.gz XVLBDMSQJMHVHX-GOSISDBHSA-N 1 0 324.468 3.793 20 10 DHCDRO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206540474 1036440407 /nfs/dbraw/zinc/44/04/07/1036440407.db2.gz BSAOHSQYMJKPJX-OAHLLOKOSA-N 1 0 317.260 3.650 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC001182854098 1036465222 /nfs/dbraw/zinc/46/52/22/1036465222.db2.gz FRDIFYDPTXWGEG-KSZLIROESA-N 1 0 314.473 3.832 20 10 DHCDRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001182856163 1036471132 /nfs/dbraw/zinc/47/11/32/1036471132.db2.gz UDAPSNBRBUKUBI-OALUTQOASA-N 1 0 324.468 3.885 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1Cl ZINC001182942409 1036485484 /nfs/dbraw/zinc/48/54/84/1036485484.db2.gz UVVPTAPLHYLKEO-QGZVFWFLSA-N 1 0 311.853 3.775 20 10 DHCDRO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000775716437 1036533375 /nfs/dbraw/zinc/53/33/75/1036533375.db2.gz XDVOETPKIBDVPE-SFHVURJKSA-N 1 0 324.468 3.797 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000029894394 1036553227 /nfs/dbraw/zinc/55/32/27/1036553227.db2.gz UBUVJKFYIVKBAX-IBGZPJMESA-N 1 0 315.388 3.722 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC000102675123 1036627201 /nfs/dbraw/zinc/62/72/01/1036627201.db2.gz YHKDVTQFNPJIMD-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC001183708063 1036654948 /nfs/dbraw/zinc/65/49/48/1036654948.db2.gz CROKDGFJYORZLL-UONOGXRCSA-N 1 0 317.351 3.544 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1O ZINC001183940408 1036705804 /nfs/dbraw/zinc/70/58/04/1036705804.db2.gz UZZGOHJCKNEWLS-HXUWFJFHSA-N 1 0 311.425 3.750 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC001198686055 1037108688 /nfs/dbraw/zinc/10/86/88/1037108688.db2.gz QNUZCXAAZNRGBR-RTBURBONSA-N 1 0 302.462 3.595 20 10 DHCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC001198686053 1037109406 /nfs/dbraw/zinc/10/94/06/1037109406.db2.gz QNUZCXAAZNRGBR-OALUTQOASA-N 1 0 302.462 3.595 20 10 DHCDRO Oc1cc2c(cc1O)CN(Cc1ccc(Cl)cc1)CCC2 ZINC001203921907 1037164623 /nfs/dbraw/zinc/16/46/23/1037164623.db2.gz GFXUCHSNESVEIG-UHFFFAOYSA-N 1 0 303.789 3.700 20 10 DHCDRO COc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(O)c1 ZINC001203630338 1037265983 /nfs/dbraw/zinc/26/59/83/1037265983.db2.gz QGNZCENPSOHQPQ-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO CCOc1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000776013972 1037303212 /nfs/dbraw/zinc/30/32/12/1037303212.db2.gz PMSHNBLPQNSOBK-UHFFFAOYSA-N 1 0 309.409 3.838 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000776012125 1037305796 /nfs/dbraw/zinc/30/57/96/1037305796.db2.gz CZCFQLNVGUGONW-FZMZJTMJSA-N 1 0 317.351 3.954 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000776011835 1037309453 /nfs/dbraw/zinc/30/94/53/1037309453.db2.gz BQKUTLYUACEXBR-BXUZGUMPSA-N 1 0 317.351 3.954 20 10 DHCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000324180189 1037406406 /nfs/dbraw/zinc/40/64/06/1037406406.db2.gz HOHHASCLGIDJCZ-HXUWFJFHSA-N 1 0 324.468 3.794 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCCOc1ccc(F)cc1 ZINC000776112463 1037443621 /nfs/dbraw/zinc/44/36/21/1037443621.db2.gz VALYHMROCSGGBS-UHFFFAOYSA-N 1 0 309.768 3.743 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001203658390 1037617249 /nfs/dbraw/zinc/61/72/49/1037617249.db2.gz SYEOZRHGGVURBK-ZDUSSCGKSA-N 1 0 302.805 3.820 20 10 DHCDRO CCc1cnc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825320115 1037628435 /nfs/dbraw/zinc/62/84/35/1037628435.db2.gz HFCMXXSUZSDKCR-UHFFFAOYSA-N 1 0 310.850 3.705 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000776166606 1037665056 /nfs/dbraw/zinc/66/50/56/1037665056.db2.gz CWZUGQKNFKROTR-MRXNPFEDSA-N 1 0 312.457 3.528 20 10 DHCDRO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000776168472 1037672551 /nfs/dbraw/zinc/67/25/51/1037672551.db2.gz OYGVYENOBOCMDC-HOTGVXAUSA-N 1 0 304.478 3.592 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000776174248 1037677188 /nfs/dbraw/zinc/67/71/88/1037677188.db2.gz GEIWIERICOMVKB-LBPRGKRZSA-N 1 0 305.805 3.780 20 10 DHCDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151060973 1037707177 /nfs/dbraw/zinc/70/71/77/1037707177.db2.gz WCMUUENKXFKRCC-KRWDZBQOSA-N 1 0 302.462 3.748 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC001201480062 1037736216 /nfs/dbraw/zinc/73/62/16/1037736216.db2.gz GPMLOOLVGFEXNH-UHFFFAOYSA-N 1 0 316.489 3.829 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000154076628 1037790362 /nfs/dbraw/zinc/79/03/62/1037790362.db2.gz QZIWVRCGSARMSI-YJBOKZPZSA-N 1 0 315.461 3.689 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1O ZINC000776218745 1037912582 /nfs/dbraw/zinc/91/25/82/1037912582.db2.gz BHKPHVFZUHGBJZ-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)ccc3O)nc21 ZINC000776220002 1037927739 /nfs/dbraw/zinc/92/77/39/1037927739.db2.gz UFXDDBAVLHCHBU-UHFFFAOYSA-N 1 0 316.788 3.828 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000776230152 1037971663 /nfs/dbraw/zinc/97/16/63/1037971663.db2.gz HALQVUIEZKHMDP-GTNSWQLSSA-N 1 0 323.795 3.705 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)C2CCCCC2)cc1OC ZINC000775205296 1038001963 /nfs/dbraw/zinc/00/19/63/1038001963.db2.gz FXECZKCEFRXVQJ-ZDUSSCGKSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC001202142800 1038059124 /nfs/dbraw/zinc/05/91/24/1038059124.db2.gz NKXHOXKPXZBCOT-IRXDYDNUSA-N 1 0 321.461 3.746 20 10 DHCDRO Oc1ccccc1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000106470165 1038103927 /nfs/dbraw/zinc/10/39/27/1038103927.db2.gz YTQBMECCMWNPDB-UHFFFAOYSA-N 1 0 311.303 3.580 20 10 DHCDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000775305495 1038207034 /nfs/dbraw/zinc/20/70/34/1038207034.db2.gz KGLURLFJOQRNAR-YLJYHZDGSA-N 1 0 314.473 3.605 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000164602127 1038224866 /nfs/dbraw/zinc/22/48/66/1038224866.db2.gz BRBHVAOKYDDWML-UHFFFAOYSA-N 1 0 303.446 3.648 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000775371421 1038288611 /nfs/dbraw/zinc/28/86/11/1038288611.db2.gz NXDPEICRPGKPQW-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001190436880 1038315138 /nfs/dbraw/zinc/31/51/38/1038315138.db2.gz NEQHTNCQBCSMSK-WOJBJXKFSA-N 1 0 316.489 3.921 20 10 DHCDRO CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001190904202 1038406446 /nfs/dbraw/zinc/40/64/46/1038406446.db2.gz KWTDIQYOSWXHCT-GOSISDBHSA-N 1 0 305.462 3.934 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)ccc1O ZINC000775484999 1038543161 /nfs/dbraw/zinc/54/31/61/1038543161.db2.gz LZKYYWDFYSNRRM-OAHLLOKOSA-N 1 0 315.804 3.934 20 10 DHCDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000165626142 1038550283 /nfs/dbraw/zinc/55/02/83/1038550283.db2.gz BHLXLMCIKYBOEX-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000775483460 1038551242 /nfs/dbraw/zinc/55/12/42/1038551242.db2.gz WBRCMYXJWAYTPF-HUUCEWRRSA-N 1 0 322.836 3.982 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1O ZINC000775501275 1038585967 /nfs/dbraw/zinc/58/59/67/1038585967.db2.gz FJSJALDYBXUONB-MRXNPFEDSA-N 1 0 310.869 3.961 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775502174 1038591660 /nfs/dbraw/zinc/59/16/60/1038591660.db2.gz PMNFYEZYHWJCRK-WBVHZDCISA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775511697 1038606201 /nfs/dbraw/zinc/60/62/01/1038606201.db2.gz HTZNHRMXNIFOQI-HNNXBMFYSA-N 1 0 319.836 3.984 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1O ZINC000775513862 1038607991 /nfs/dbraw/zinc/60/79/91/1038607991.db2.gz VJLHLNOWLZVHHJ-RLCCDNCMSA-N 1 0 308.853 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccccc1O ZINC000775522463 1038631895 /nfs/dbraw/zinc/63/18/95/1038631895.db2.gz QFSAEGWDCBMGQA-HOCLYGCPSA-N 1 0 321.486 3.878 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000775539107 1038681053 /nfs/dbraw/zinc/68/10/53/1038681053.db2.gz CCARIJCWSRZDID-RDJZCZTQSA-N 1 0 319.445 3.899 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccccc1O ZINC000775551995 1038709818 /nfs/dbraw/zinc/70/98/18/1038709818.db2.gz QJAIHXZDFDUYTC-APWZRJJASA-N 1 0 311.425 3.999 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000780528940 1038941151 /nfs/dbraw/zinc/94/11/51/1038941151.db2.gz ZKWWUYAAZYGDOL-WMLDXEAASA-N 1 0 315.388 3.966 20 10 DHCDRO CCC(CC)(C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)OC ZINC000760883664 1038959763 /nfs/dbraw/zinc/95/97/63/1038959763.db2.gz NOBYXLSVSCAHPG-NSHDSACASA-N 1 0 313.825 3.676 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C(C)C)C3CC3)CC2)cc1 ZINC000157447854 1038981747 /nfs/dbraw/zinc/98/17/47/1038981747.db2.gz MJFKNHAWKOWINT-LJQANCHMSA-N 1 0 302.462 3.688 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(F)C2)cc1Cl ZINC001232263783 1039009576 /nfs/dbraw/zinc/00/95/76/1039009576.db2.gz AAPONBZYLQKKOG-OAHLLOKOSA-N 1 0 301.789 3.768 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157652141 1039101523 /nfs/dbraw/zinc/10/15/23/1039101523.db2.gz CLJKIZLBPRNXQL-OALUTQOASA-N 1 0 316.420 3.666 20 10 DHCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000230698490 1039959002 /nfs/dbraw/zinc/95/90/02/1039959002.db2.gz AZPGBVUPLYDSDS-NWDGAFQWSA-N 1 0 316.264 3.528 20 10 DHCDRO CC[C@H](C[NH2+][C@H](CC)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000227711830 1040366167 /nfs/dbraw/zinc/36/61/67/1040366167.db2.gz MFRUPLURYUZHMO-UKRRQHHQSA-N 1 0 322.449 3.736 20 10 DHCDRO CC[N@H+](Cc1cccc(C)c1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000761226916 1040820489 /nfs/dbraw/zinc/82/04/89/1040820489.db2.gz XCJITTXNZOBBTM-FQEVSTJZSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1ccccc1C1(C[NH2+]Cc2cccc(C)c2O)CCC1 ZINC000761226287 1040823715 /nfs/dbraw/zinc/82/37/15/1040823715.db2.gz OCRHQPGAUNHSFR-UHFFFAOYSA-N 1 0 311.425 3.921 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccsc2)c1O ZINC000228671851 1041047808 /nfs/dbraw/zinc/04/78/08/1041047808.db2.gz QANHTDPHKCSPKL-SNVBAGLBSA-N 1 0 311.834 3.837 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1nccs1 ZINC000228675151 1041050010 /nfs/dbraw/zinc/05/00/10/1041050010.db2.gz NVUXCJIGJRKNDG-NSHDSACASA-N 1 0 312.822 3.752 20 10 DHCDRO CCCN(CC[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000228799147 1041191747 /nfs/dbraw/zinc/19/17/47/1041191747.db2.gz CNQVNKNNZBZQJY-CQSZACIVSA-N 1 0 322.449 3.690 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1O ZINC000236897961 202060373 /nfs/dbraw/zinc/06/03/73/202060373.db2.gz AOJKXIVVEDSTPM-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO CCCOc1ccc(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC000091974527 193134668 /nfs/dbraw/zinc/13/46/68/193134668.db2.gz ZYGDBYIPUKTIDI-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C)ccc1O)CCC2 ZINC000093365150 193239931 /nfs/dbraw/zinc/23/99/31/193239931.db2.gz HEVPZJLPMPYMNR-OAHLLOKOSA-N 1 0 302.443 3.975 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(F)ccc1O ZINC000094616956 193385569 /nfs/dbraw/zinc/38/55/69/193385569.db2.gz MVVGIKVVELQZRU-BXUZGUMPSA-N 1 0 308.422 3.546 20 10 DHCDRO CCOCCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019962987 182170714 /nfs/dbraw/zinc/17/07/14/182170714.db2.gz FYMXKXTXQACACA-ZDUSSCGKSA-N 1 0 316.239 3.622 20 10 DHCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272249178 130011731 /nfs/dbraw/zinc/01/17/31/130011731.db2.gz IAPYLSSUJWOVJH-ZDUSSCGKSA-N 1 0 301.361 3.529 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272323320 130019952 /nfs/dbraw/zinc/01/99/52/130019952.db2.gz QPAMFHFYHOGBTO-QGZVFWFLSA-N 1 0 302.418 3.521 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000273425839 130120862 /nfs/dbraw/zinc/12/08/62/130120862.db2.gz UBAGKMIFMXCGKM-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273434895 130121021 /nfs/dbraw/zinc/12/10/21/130121021.db2.gz WQDJMQFGFZFXCE-CQSZACIVSA-N 1 0 309.413 3.791 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496122 130129069 /nfs/dbraw/zinc/12/90/69/130129069.db2.gz PCWKBLWRJSAQSN-DYVFJYSZSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000273508681 130130065 /nfs/dbraw/zinc/13/00/65/130130065.db2.gz RINKMYXMYQZVSQ-QLEMLULZSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553554 130134942 /nfs/dbraw/zinc/13/49/42/130134942.db2.gz GLGLXFGFAOHNJV-UWVGGRQHSA-N 1 0 305.249 3.690 20 10 DHCDRO Cc1ncc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273590132 130141908 /nfs/dbraw/zinc/14/19/08/130141908.db2.gz OWJUWCBZQUOGIP-LLVKDONJSA-N 1 0 302.443 3.887 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273595100 130142477 /nfs/dbraw/zinc/14/24/77/130142477.db2.gz QHKCAWDUFDOWLM-AAEUAGOBSA-N 1 0 302.418 3.896 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC000274223971 130220352 /nfs/dbraw/zinc/22/03/52/130220352.db2.gz CEYTYOMTFUNTDX-HNNXBMFYSA-N 1 0 319.788 3.668 20 10 DHCDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000275049201 130287867 /nfs/dbraw/zinc/28/78/67/130287867.db2.gz ZWDTYTRKZPJHAJ-LBPRGKRZSA-N 1 0 319.836 3.660 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000286939545 131256905 /nfs/dbraw/zinc/25/69/05/131256905.db2.gz GTXPJZGRMKCMHK-BZNIZROVSA-N 1 0 323.795 3.959 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000297654448 132027756 /nfs/dbraw/zinc/02/77/56/132027756.db2.gz KICMVALNJHTTFQ-GOSISDBHSA-N 1 0 311.425 3.966 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000297962698 132042555 /nfs/dbraw/zinc/04/25/55/132042555.db2.gz ZIMWULSENYMMCU-KRWDZBQOSA-N 1 0 309.409 3.958 20 10 DHCDRO C[C@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294028548 335117200 /nfs/dbraw/zinc/11/72/00/335117200.db2.gz FJPYDCPZODDGFH-QFBILLFUSA-N 1 0 313.441 3.817 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719108 333142963 /nfs/dbraw/zinc/14/29/63/333142963.db2.gz ARKYVSVACXWMGV-UGSOOPFHSA-N 1 0 300.450 3.596 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000185405084 333208387 /nfs/dbraw/zinc/20/83/87/333208387.db2.gz SGAVBXPXZOUWII-KGLIPLIRSA-N 1 0 313.397 3.618 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000295046582 335130204 /nfs/dbraw/zinc/13/02/04/335130204.db2.gz NCOBYPCJFKMHLQ-MRXNPFEDSA-N 1 0 305.805 3.519 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)C(F)F ZINC000295048386 335130223 /nfs/dbraw/zinc/13/02/23/335130223.db2.gz NHORGQBVLWRPBT-WBVHZDCISA-N 1 0 321.367 3.553 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000184673379 333363836 /nfs/dbraw/zinc/36/38/36/333363836.db2.gz VZKFYUINZBYEBR-JTQLQIEISA-N 1 0 323.742 3.829 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N2CCCCC2)cc1 ZINC000296554410 335146345 /nfs/dbraw/zinc/14/63/45/335146345.db2.gz RSESZWHZQYIYBW-DLBZAZTESA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H](O)C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297131667 335149672 /nfs/dbraw/zinc/14/96/72/335149672.db2.gz YZZVZAIBDZTFDP-QGTPRVQTSA-N 1 0 311.425 3.524 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278402162 334095827 /nfs/dbraw/zinc/09/58/27/334095827.db2.gz OITFTJNGZFLTBG-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(C)cc1O ZINC000280200720 334115130 /nfs/dbraw/zinc/11/51/30/334115130.db2.gz SSWJGDYODKKQEA-QGZVFWFLSA-N 1 0 309.413 3.898 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295055443 334216239 /nfs/dbraw/zinc/21/62/39/334216239.db2.gz NVZFKZYTZLFDBI-CXAGYDPISA-N 1 0 313.397 3.793 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214698 336840368 /nfs/dbraw/zinc/84/03/68/336840368.db2.gz ZUYPNPYEHAQDFI-YGRLFVJLSA-N 1 0 305.324 3.763 20 10 DHCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)C2 ZINC000368315897 336842306 /nfs/dbraw/zinc/84/23/06/336842306.db2.gz MXSIQPMSCJDKMM-ZBFHGGJFSA-N 1 0 321.424 3.716 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1OCCc2sccc21 ZINC000368370191 336843233 /nfs/dbraw/zinc/84/32/33/336843233.db2.gz NPZLNDAGYSHHDP-QFYYESIMSA-N 1 0 323.845 3.899 20 10 DHCDRO Cc1ccn(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000369290042 336861699 /nfs/dbraw/zinc/86/16/99/336861699.db2.gz HWISRCNXIXNQHI-UHFFFAOYSA-N 1 0 319.836 3.696 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000370222936 336880002 /nfs/dbraw/zinc/88/00/02/336880002.db2.gz PDZQPBNGVHFXLG-FUHWJXTLSA-N 1 0 303.446 3.982 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)ccc21 ZINC000375068518 337002494 /nfs/dbraw/zinc/00/24/94/337002494.db2.gz CXOCUWBGVWRPFF-LJQANCHMSA-N 1 0 308.425 3.552 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1cc(Cl)ccc1O ZINC000376952906 337044008 /nfs/dbraw/zinc/04/40/08/337044008.db2.gz BVKDNUXEFZQFQA-JKDFXYPNSA-N 1 0 317.816 3.917 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631060 337056791 /nfs/dbraw/zinc/05/67/91/337056791.db2.gz SLSNMOQQJSVHPC-DZGCQCFKSA-N 1 0 317.351 3.623 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@@H]2CCCc3cccnc32)c1 ZINC000377690673 337058431 /nfs/dbraw/zinc/05/84/31/337058431.db2.gz DMOVQCHGKMYQQO-CXAGYDPISA-N 1 0 312.413 3.866 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1O ZINC000377870259 337063065 /nfs/dbraw/zinc/06/30/65/337063065.db2.gz TXWFEZKIEAHLIT-OAHLLOKOSA-N 1 0 307.397 3.737 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000360019778 337083825 /nfs/dbraw/zinc/08/38/25/337083825.db2.gz JJOMFVRVLVUZCI-LBPRGKRZSA-N 1 0 310.180 3.922 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1O ZINC000183446444 337191688 /nfs/dbraw/zinc/19/16/88/337191688.db2.gz NODZMJQEZHSSFU-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1O ZINC000185628457 337249730 /nfs/dbraw/zinc/24/97/30/337249730.db2.gz COWDWXFAVRMJOW-RCBQFDQVSA-N 1 0 303.381 3.562 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683870 337250014 /nfs/dbraw/zinc/25/00/14/337250014.db2.gz WBFLEKWBIWEHGF-ZFWWWQNUSA-N 1 0 314.433 3.601 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248487117 337565588 /nfs/dbraw/zinc/56/55/88/337565588.db2.gz FZRQREJQATUFLP-MJSCVDMRSA-N 1 0 301.430 3.699 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c(O)c1 ZINC000527952701 337774135 /nfs/dbraw/zinc/77/41/35/337774135.db2.gz VFMYTIWHYIDBFC-NVXWUHKLSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000527929225 337776252 /nfs/dbraw/zinc/77/62/52/337776252.db2.gz PGKGPNSIJVALBF-GJZGRUSLSA-N 1 0 303.446 3.738 20 10 DHCDRO COc1cccc(OC)c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000511782123 340338211 /nfs/dbraw/zinc/33/82/11/340338211.db2.gz WUAYMGSSCRPHTL-UHFFFAOYSA-N 1 0 324.424 3.794 20 10 DHCDRO CC(C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157718104 519813122 /nfs/dbraw/zinc/81/31/22/519813122.db2.gz JSXGXYSFMGAGBB-ZDUSSCGKSA-N 1 0 312.404 3.891 20 10 DHCDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(OC)ccc2O)s1 ZINC000180406826 522229309 /nfs/dbraw/zinc/22/93/09/522229309.db2.gz RBNAJKAXNKSWFJ-LBPRGKRZSA-N 1 0 320.458 3.921 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000192035505 522539358 /nfs/dbraw/zinc/53/93/58/522539358.db2.gz DLWUHWXTKBERIJ-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000366418499 522633095 /nfs/dbraw/zinc/63/30/95/522633095.db2.gz NAZSBQYDJGJFIG-PBHICJAKSA-N 1 0 324.424 3.867 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(N(C)C)cc1 ZINC000268836761 522661889 /nfs/dbraw/zinc/66/18/89/522661889.db2.gz DRXLVTFWDPVWPB-IBGZPJMESA-N 1 0 322.456 3.950 20 10 DHCDRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000180545819 524410500 /nfs/dbraw/zinc/41/05/00/524410500.db2.gz XFHAZDSCKUFOEO-BBRMVZONSA-N 1 0 303.427 3.724 20 10 DHCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000186270529 524450575 /nfs/dbraw/zinc/45/05/75/524450575.db2.gz BFMORZFDKVIIFF-INIZCTEOSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186945 525287823 /nfs/dbraw/zinc/28/78/23/525287823.db2.gz HYAMVLCRDQPPLG-JTQLQIEISA-N 1 0 312.404 3.630 20 10 DHCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000161429053 525292682 /nfs/dbraw/zinc/29/26/82/525292682.db2.gz QHCUBUNAEGSPIV-HNNXBMFYSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1O ZINC000157591470 525425193 /nfs/dbraw/zinc/42/51/93/525425193.db2.gz ZMUDOIZLLBGOSK-SJCJKPOMSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000173346624 525444247 /nfs/dbraw/zinc/44/42/47/525444247.db2.gz NGQSZPBHVAQPHZ-KRWDZBQOSA-N 1 0 324.468 3.746 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000266592091 525525677 /nfs/dbraw/zinc/52/56/77/525525677.db2.gz NHTBDSKCYFWFBV-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156499078 525544015 /nfs/dbraw/zinc/54/40/15/525544015.db2.gz BABQHINNVPTPCW-CYBMUJFWSA-N 1 0 320.433 3.575 20 10 DHCDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc(C)c2O)N2CCCC2)o1 ZINC000181068422 525763069 /nfs/dbraw/zinc/76/30/69/525763069.db2.gz RVOWPAOCWNKAKW-QGZVFWFLSA-N 1 0 314.429 3.529 20 10 DHCDRO Cc1csc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000266143692 526416583 /nfs/dbraw/zinc/41/65/83/526416583.db2.gz HYYYGTOZTDQQKY-INIZCTEOSA-N 1 0 301.459 3.758 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C)c1O)CCC2 ZINC000180231680 527106365 /nfs/dbraw/zinc/10/63/65/527106365.db2.gz VUBDZXVKPVYMHS-HNNXBMFYSA-N 1 0 302.443 3.975 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](CCOC)c2ccc(C)o2)c1 ZINC000272355860 535752758 /nfs/dbraw/zinc/75/27/58/535752758.db2.gz VOMILTRCPIDSQX-MRXNPFEDSA-N 1 0 319.401 3.560 20 10 DHCDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624381 536810209 /nfs/dbraw/zinc/81/02/09/536810209.db2.gz YXECOIWOUJZUOS-RHSMWYFYSA-N 1 0 302.418 3.774 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)[C@@H](F)C3)c2c1 ZINC000777965693 1032058627 /nfs/dbraw/zinc/05/86/27/1032058627.db2.gz FGCASYDLSNBMMI-SJCJKPOMSA-N 1 0 303.377 3.734 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000155100522 1013206202 /nfs/dbraw/zinc/20/62/02/1013206202.db2.gz BOMQBHZMYOMHNH-APWZRJJASA-N 1 0 310.441 3.959 20 10 DHCDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)CCO1 ZINC000894419009 1013354196 /nfs/dbraw/zinc/35/41/96/1013354196.db2.gz FAGQLHSWPZWENE-IRXDYDNUSA-N 1 0 321.461 3.783 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC000894501893 1013396683 /nfs/dbraw/zinc/39/66/83/1013396683.db2.gz JBNOYSKKQNXGAC-LBPRGKRZSA-N 1 0 317.433 3.646 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1O ZINC000894567161 1013422874 /nfs/dbraw/zinc/42/28/74/1013422874.db2.gz SLCHFYJVEDZLAH-UHFFFAOYSA-N 1 0 321.461 3.783 20 10 DHCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnc[nH]3)cc2Cl)C1 ZINC000894663731 1013445122 /nfs/dbraw/zinc/44/51/22/1013445122.db2.gz BFRLHKYGKOHYGX-CYBMUJFWSA-N 1 0 318.852 3.589 20 10 DHCDRO C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000303268785 1013498321 /nfs/dbraw/zinc/49/83/21/1013498321.db2.gz ULVFSYYKGQUKFH-HNNXBMFYSA-N 1 0 316.420 3.704 20 10 DHCDRO COc1cc(C)cc(CNc2ccc(C[NH+](C)C)cc2F)c1O ZINC000894992153 1013765556 /nfs/dbraw/zinc/76/55/56/1013765556.db2.gz IWHOHPXTJZNQRF-UHFFFAOYSA-N 1 0 318.392 3.522 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cnccc2C(C)(C)C)c1O ZINC000894992108 1013765637 /nfs/dbraw/zinc/76/56/37/1013765637.db2.gz IHDPXSXOQZJGEU-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000074333533 1013847017 /nfs/dbraw/zinc/84/70/17/1013847017.db2.gz MPIHYEGFUUJCLE-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO Cc1cc(C[NH2+]Cc2c(C)nn(C)c2C)c(C)n1-c1ccccc1 ZINC000325802980 1014075348 /nfs/dbraw/zinc/07/53/48/1014075348.db2.gz IRXUSLVANHFSQN-UHFFFAOYSA-N 1 0 322.456 3.734 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000052661889 1014127477 /nfs/dbraw/zinc/12/74/77/1014127477.db2.gz ASDCYKLTYVWTPN-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO COc1ccc(N2CCN(Cc3cc(C)c(C)o3)CC2)c(C)c1 ZINC001204539453 1014132922 /nfs/dbraw/zinc/13/29/22/1014132922.db2.gz PSTLSHZVOYIOHK-UHFFFAOYSA-N 1 0 314.429 3.536 20 10 DHCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286848 1014206135 /nfs/dbraw/zinc/20/61/35/1014206135.db2.gz AEMLTBIIOCQZMZ-CQSZACIVSA-N 1 0 300.471 3.851 20 10 DHCDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000728301191 1014235121 /nfs/dbraw/zinc/23/51/21/1014235121.db2.gz KYLVIECUPKYJEC-QUCCMNQESA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1C ZINC000398178138 1014313282 /nfs/dbraw/zinc/31/32/82/1014313282.db2.gz GWBVIQIFMJWJDD-XLIONFOSSA-N 1 0 324.468 3.756 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3C3CC3)cc2)CC1 ZINC001167437108 1014411878 /nfs/dbraw/zinc/41/18/78/1014411878.db2.gz LAPYHQBNKUFDLW-UHFFFAOYSA-N 1 0 321.468 3.928 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000846860171 1032098256 /nfs/dbraw/zinc/09/82/56/1032098256.db2.gz HCVXHBQJJDYOIQ-LLVKDONJSA-N 1 0 307.800 3.791 20 10 DHCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000276141527 1014714434 /nfs/dbraw/zinc/71/44/34/1014714434.db2.gz NMAAIOGYIREYSN-HBNTYKKESA-N 1 0 316.239 3.537 20 10 DHCDRO COc1ccc(C[N@H+](Cc2ccccc2)C(C)C)c(O)c1OC ZINC000891393823 1014837721 /nfs/dbraw/zinc/83/77/21/1014837721.db2.gz RTQSBEFFBRBZEV-UHFFFAOYSA-N 1 0 315.413 3.820 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nc1 ZINC000126961009 1014957309 /nfs/dbraw/zinc/95/73/09/1014957309.db2.gz ZCXVTPQSEXAAND-UHFFFAOYSA-N 1 0 303.837 3.823 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000707129158 1015081936 /nfs/dbraw/zinc/08/19/36/1015081936.db2.gz DORJHBAOGPEWRG-UHFFFAOYSA-N 1 0 310.235 3.921 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)CC(F)F ZINC000895530923 1015189765 /nfs/dbraw/zinc/18/97/65/1015189765.db2.gz AKKHFZXLXPDMLJ-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895580516 1015216332 /nfs/dbraw/zinc/21/63/32/1015216332.db2.gz BLOKHZOLUPQEBV-CWDCEQMOSA-N 1 0 313.470 3.712 20 10 DHCDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040621775 1015331209 /nfs/dbraw/zinc/33/12/09/1015331209.db2.gz MHPKKMNJJDSAAH-LLVKDONJSA-N 1 0 317.260 3.519 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846533 1015331819 /nfs/dbraw/zinc/33/18/19/1015331819.db2.gz PWGMHKZRQGFHDH-AZUAARDMSA-N 1 0 314.473 3.678 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2)c(O)c1OC ZINC000891504724 1015334062 /nfs/dbraw/zinc/33/40/62/1015334062.db2.gz YNJJKZKUFZTWJM-ZDUSSCGKSA-N 1 0 301.386 3.602 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(O)c1OC ZINC000891536383 1015362369 /nfs/dbraw/zinc/36/23/69/1015362369.db2.gz IKYUYTLLLRWEBR-LBPRGKRZSA-N 1 0 319.376 3.742 20 10 DHCDRO COc1ccc(C[N@H+](Cc2cccs2)C(C)C)c(O)c1OC ZINC000891626904 1015464725 /nfs/dbraw/zinc/46/47/25/1015464725.db2.gz RQBPJSFBLVDQFI-UHFFFAOYSA-N 1 0 321.442 3.882 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425445 1015481558 /nfs/dbraw/zinc/48/15/58/1015481558.db2.gz AATRWPWNGHSPBD-MOPGFXCFSA-N 1 0 322.452 3.806 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000178229100 1015492735 /nfs/dbraw/zinc/49/27/35/1015492735.db2.gz QOIDQMYPCSWBOX-CABCVRRESA-N 1 0 320.452 3.892 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896280883 1015532421 /nfs/dbraw/zinc/53/24/21/1015532421.db2.gz FFJFDQJXMYBQGN-UHFFFAOYSA-N 1 0 302.805 3.609 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896515609 1015616958 /nfs/dbraw/zinc/61/69/58/1015616958.db2.gz GXHNISFFKLYSAJ-AWEZNQCLSA-N 1 0 314.454 3.717 20 10 DHCDRO CCOc1cccc(C[N@@H+](Cc2ccccn2)CC(C)C)c1O ZINC000896664036 1015701579 /nfs/dbraw/zinc/70/15/79/1015701579.db2.gz GPELWVXKRHLHHS-UHFFFAOYSA-N 1 0 314.429 3.844 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1OC ZINC000896780137 1015740370 /nfs/dbraw/zinc/74/03/70/1015740370.db2.gz XBYDZIGPCHAOET-JTQLQIEISA-N 1 0 323.339 3.538 20 10 DHCDRO COc1ccc(C[N@H+](C)C[C@H](C)c2ccccc2)c(O)c1OC ZINC000891916752 1015755402 /nfs/dbraw/zinc/75/54/02/1015755402.db2.gz OLNMNULLHSUMME-AWEZNQCLSA-N 1 0 315.413 3.645 20 10 DHCDRO CCC[C@@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC001204777633 1015760010 /nfs/dbraw/zinc/76/00/10/1015760010.db2.gz WUPVPKRZDPJINN-OAHLLOKOSA-N 1 0 321.461 3.699 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c(O)c1 ZINC000896887040 1015802750 /nfs/dbraw/zinc/80/27/50/1015802750.db2.gz GDGLMHIPWHDTOE-NVXWUHKLSA-N 1 0 303.352 3.839 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000280888152 1015806854 /nfs/dbraw/zinc/80/68/54/1015806854.db2.gz FLBNMMHQPMWANC-SECBINFHSA-N 1 0 320.177 3.680 20 10 DHCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000277028283 1015853670 /nfs/dbraw/zinc/85/36/70/1015853670.db2.gz DWVIRDWHBCRUIK-ZETCQYMHSA-N 1 0 306.150 3.603 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846924401 1032139273 /nfs/dbraw/zinc/13/92/73/1032139273.db2.gz WTUGBZSIXMURSG-UHFFFAOYSA-N 1 0 307.441 3.827 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001167549218 1016384634 /nfs/dbraw/zinc/38/46/34/1016384634.db2.gz LCDYCRQJODBMIB-NRFANRHFSA-N 1 0 324.468 3.943 20 10 DHCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)CC(C)C ZINC000184949634 1016463594 /nfs/dbraw/zinc/46/35/94/1016463594.db2.gz ZCFFGIVFVHJKDV-CABCVRRESA-N 1 0 322.449 3.512 20 10 DHCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185186633 1016715955 /nfs/dbraw/zinc/71/59/55/1016715955.db2.gz ZKASFHWNDOMALZ-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277604781 1016761847 /nfs/dbraw/zinc/76/18/47/1016761847.db2.gz ITCWVULNUSVIFT-KSSFIOAISA-N 1 0 317.816 3.913 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468331 1016932201 /nfs/dbraw/zinc/93/22/01/1016932201.db2.gz IASXXIUWVRWHRS-JCGVRSQUSA-N 1 0 303.377 3.612 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCSc2nccs2)c(O)c1 ZINC000185490048 1016946280 /nfs/dbraw/zinc/94/62/80/1016946280.db2.gz WVMRPQZWMSTFTO-LBPRGKRZSA-N 1 0 308.472 3.990 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1 ZINC000185576262 1017020990 /nfs/dbraw/zinc/02/09/90/1017020990.db2.gz WFQSPAWNOPFDQW-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cccnc32)cc1Cl ZINC000897072686 1017023682 /nfs/dbraw/zinc/02/36/82/1017023682.db2.gz XWCRLNRKEBSMQQ-HNNXBMFYSA-N 1 0 302.805 3.916 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185574304 1017024176 /nfs/dbraw/zinc/02/41/76/1017024176.db2.gz INPPNBOJSPEJGI-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185574806 1017024705 /nfs/dbraw/zinc/02/47/05/1017024705.db2.gz BAZMTISYEHKMMK-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185605875 1017051619 /nfs/dbraw/zinc/05/16/19/1017051619.db2.gz QXTTXXYKEOFBDP-LSDHHAIUSA-N 1 0 305.462 3.720 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192744387 1017052612 /nfs/dbraw/zinc/05/26/12/1017052612.db2.gz FDTPYCAIRRLNNE-HNNXBMFYSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000934560221 1017067267 /nfs/dbraw/zinc/06/72/67/1017067267.db2.gz BWLKVMLLLHOFJY-OAHLLOKOSA-N 1 0 313.445 3.851 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000846958746 1032158625 /nfs/dbraw/zinc/15/86/25/1032158625.db2.gz GRZQBDZSHMOGFF-GOSISDBHSA-N 1 0 302.462 3.580 20 10 DHCDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000192946276 1017232319 /nfs/dbraw/zinc/23/23/19/1017232319.db2.gz RNIVJXLUKUWFFV-AWEZNQCLSA-N 1 0 309.413 3.710 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C)CC3)CC2)cc1 ZINC000772961842 1032198443 /nfs/dbraw/zinc/19/84/43/1032198443.db2.gz CGQQLFSDEOBDKQ-WKILWMFISA-N 1 0 302.462 3.832 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000192837700 1017072585 /nfs/dbraw/zinc/07/25/85/1017072585.db2.gz KYQMAFKEMAHFKX-ZIAGYGMSSA-N 1 0 315.413 3.778 20 10 DHCDRO CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000295098208 1032275165 /nfs/dbraw/zinc/27/51/65/1032275165.db2.gz VQLWBOZTMKWHGK-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000295119613 1032280883 /nfs/dbraw/zinc/28/08/83/1032280883.db2.gz XELXIXLXSWVJBM-ZYHUDNBSSA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]([NH2+]CCc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000772982573 1032320372 /nfs/dbraw/zinc/32/03/72/1032320372.db2.gz XBWUUIQWBWJJAO-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO CCOc1ccc(N2CC[NH+](C[C@H](C)CC(C)C)CC2)cc1 ZINC001168331507 1032320894 /nfs/dbraw/zinc/32/08/94/1032320894.db2.gz IZGLHUCOSVYPIH-QGZVFWFLSA-N 1 0 304.478 3.890 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2c(C)noc2C)cc1 ZINC000073007626 1017086453 /nfs/dbraw/zinc/08/64/53/1017086453.db2.gz KYIUZMCANIRGQA-CYBMUJFWSA-N 1 0 301.434 3.988 20 10 DHCDRO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(-c2cnn(C)c2)c1 ZINC000282708759 1032458473 /nfs/dbraw/zinc/45/84/73/1032458473.db2.gz AWVPQGGZRMFWGL-UHFFFAOYSA-N 1 0 321.424 3.733 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c(O)c1 ZINC000192846857 1017093800 /nfs/dbraw/zinc/09/38/00/1017093800.db2.gz KPFKGNCQIBQHBG-STQMWFEESA-N 1 0 313.401 3.603 20 10 DHCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773052206 1032541445 /nfs/dbraw/zinc/54/14/45/1032541445.db2.gz WZIYGHHGYXCXPS-XJKSGUPXSA-N 1 0 304.459 3.507 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000773082354 1032553812 /nfs/dbraw/zinc/55/38/12/1032553812.db2.gz VHMQDBNQVQUZKV-HNNXBMFYSA-N 1 0 324.415 3.832 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773103485 1032559455 /nfs/dbraw/zinc/55/94/55/1032559455.db2.gz JLNJVWIGNLZNBA-PBHICJAKSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000773105608 1032560309 /nfs/dbraw/zinc/56/03/09/1032560309.db2.gz WPESLRUYEIKNFE-IEZWGBDMSA-N 1 0 302.462 3.631 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000122726062 1032618175 /nfs/dbraw/zinc/61/81/75/1032618175.db2.gz PVBGOLWPYKCNIJ-ZDUSSCGKSA-N 1 0 303.837 3.694 20 10 DHCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000773254724 1032660078 /nfs/dbraw/zinc/66/00/78/1032660078.db2.gz GCROJQKRTDQHCO-CQSZACIVSA-N 1 0 311.491 3.969 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773264111 1032663295 /nfs/dbraw/zinc/66/32/95/1032663295.db2.gz QPXKMCLAXPCERU-DLBZAZTESA-N 1 0 303.446 3.648 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1O ZINC000894344090 1012946050 /nfs/dbraw/zinc/94/60/50/1012946050.db2.gz LDPWQASNUXSMSI-CQSZACIVSA-N 1 0 319.788 3.586 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2nc(C)cs2)c1O ZINC000116382225 1017137426 /nfs/dbraw/zinc/13/74/26/1017137426.db2.gz QMDJPGYSWYGEHC-UHFFFAOYSA-N 1 0 306.431 3.581 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000192864134 1017166632 /nfs/dbraw/zinc/16/66/32/1017166632.db2.gz GTPVBVKLFCYCFU-MRXNPFEDSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000184845437 1017342012 /nfs/dbraw/zinc/34/20/12/1017342012.db2.gz PIUKPSLFYJBRTH-MNOVXSKESA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000897301291 1017347702 /nfs/dbraw/zinc/34/77/02/1017347702.db2.gz FPIJBRPIYMQSCD-AWEZNQCLSA-N 1 0 302.443 3.530 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783599516 1017483969 /nfs/dbraw/zinc/48/39/69/1017483969.db2.gz QVHSTGQWBPHBTL-UHFFFAOYSA-N 1 0 309.409 3.672 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857904728 1032711172 /nfs/dbraw/zinc/71/11/72/1032711172.db2.gz NVPFYWRTPYJKHH-MRXNPFEDSA-N 1 0 315.848 3.887 20 10 DHCDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178668346 1017652293 /nfs/dbraw/zinc/65/22/93/1017652293.db2.gz JUCFPVUWPZDESE-LSDHHAIUSA-N 1 0 308.441 3.749 20 10 DHCDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178668357 1017653601 /nfs/dbraw/zinc/65/36/01/1017653601.db2.gz JUCFPVUWPZDESE-HUUCEWRRSA-N 1 0 308.441 3.749 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000926915835 1032732562 /nfs/dbraw/zinc/73/25/62/1032732562.db2.gz MAWFGJDFIHPCEB-ZOWXZIJZSA-N 1 0 317.351 3.851 20 10 DHCDRO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(F)ccc1O ZINC000186138524 1017911846 /nfs/dbraw/zinc/91/18/46/1017911846.db2.gz YPXYDWOSMMAITL-LBPRGKRZSA-N 1 0 303.381 3.694 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000186143565 1017934285 /nfs/dbraw/zinc/93/42/85/1017934285.db2.gz UBWORYCDCYDUQF-DZGCQCFKSA-N 1 0 301.430 3.993 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCC1(F)CCC1 ZINC000702532699 1018215512 /nfs/dbraw/zinc/21/55/12/1018215512.db2.gz MXZPDEIZVDSEOM-UHFFFAOYSA-N 1 0 302.187 3.527 20 10 DHCDRO CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764513718 1018303537 /nfs/dbraw/zinc/30/35/37/1018303537.db2.gz NAXOCPPXRDAXIQ-AWEZNQCLSA-N 1 0 310.869 3.873 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000155585402 1018311309 /nfs/dbraw/zinc/31/13/09/1018311309.db2.gz JFGLHACBMBGSDZ-UHFFFAOYSA-N 1 0 316.470 3.558 20 10 DHCDRO CCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263698736 1032755877 /nfs/dbraw/zinc/75/58/77/1032755877.db2.gz QUMBCSDZHKRRSF-UHFFFAOYSA-N 1 0 310.441 3.633 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000764867698 1018409320 /nfs/dbraw/zinc/40/93/20/1018409320.db2.gz CZMPEQSTBDOHCQ-HKUYNNGSSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765090445 1018469073 /nfs/dbraw/zinc/46/90/73/1018469073.db2.gz SNVIDTFBFQNXDV-FUHWJXTLSA-N 1 0 304.503 3.908 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000765098833 1018475940 /nfs/dbraw/zinc/47/59/40/1018475940.db2.gz DBUHCDCIKDFXCO-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000858121095 1032775372 /nfs/dbraw/zinc/77/53/72/1032775372.db2.gz UYLHJWQKVVPABS-UHFFFAOYSA-N 1 0 313.344 3.992 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278453368 1018708600 /nfs/dbraw/zinc/70/86/00/1018708600.db2.gz YHCRREFBVUCXTG-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000765262657 1018735547 /nfs/dbraw/zinc/73/55/47/1018735547.db2.gz XJVCACJZXHABPD-ACJLOTCBSA-N 1 0 318.848 3.790 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765279131 1018744047 /nfs/dbraw/zinc/74/40/47/1018744047.db2.gz FRAQXAVILOFDMX-IEBWSBKVSA-N 1 0 315.505 3.812 20 10 DHCDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280840 1018744549 /nfs/dbraw/zinc/74/45/49/1018744549.db2.gz CSEDQNAKDVINKH-VQIMIIECSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765332915 1018759720 /nfs/dbraw/zinc/75/97/20/1018759720.db2.gz DNQKPHBDASAGCQ-INMHGKMJSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765936841 1018911196 /nfs/dbraw/zinc/91/11/96/1018911196.db2.gz UBUDLJNQPLHVSI-IFXJQAMLSA-N 1 0 320.452 3.628 20 10 DHCDRO Cn1cncc1-c1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168548075 1018996220 /nfs/dbraw/zinc/99/62/20/1018996220.db2.gz JWHIGNRHIXUTCI-MRXNPFEDSA-N 1 0 318.424 3.671 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785457832 1018996334 /nfs/dbraw/zinc/99/63/34/1018996334.db2.gz IQFBPTZUBZKSMG-AWEZNQCLSA-N 1 0 322.449 3.517 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(N(C)C)cc1 ZINC000765661283 1019034002 /nfs/dbraw/zinc/03/40/02/1019034002.db2.gz YCRAWETXUSJBDL-IBGZPJMESA-N 1 0 314.477 3.827 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843431849 1019040130 /nfs/dbraw/zinc/04/01/30/1019040130.db2.gz KKRWMGZNHRBCRV-CYBMUJFWSA-N 1 0 309.837 3.745 20 10 DHCDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134937559 1019051347 /nfs/dbraw/zinc/05/13/47/1019051347.db2.gz RMUCXVHSBKEZAA-BDAKNGLRSA-N 1 0 304.253 3.557 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000766165526 1019068990 /nfs/dbraw/zinc/06/89/90/1019068990.db2.gz AUQYZLCJKIMYQZ-FHLIZLRMSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c1 ZINC000186159301 1019099625 /nfs/dbraw/zinc/09/96/25/1019099625.db2.gz MKDYRJBNOMOCSY-HNAYVOBHSA-N 1 0 311.425 3.865 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c1 ZINC000858239061 1032813301 /nfs/dbraw/zinc/81/33/01/1032813301.db2.gz GTWKWLRFGXGMBC-UHFFFAOYSA-N 1 0 321.424 3.699 20 10 DHCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765962607 1019194588 /nfs/dbraw/zinc/19/45/88/1019194588.db2.gz ULXFBRCWCUDSEG-FUHWJXTLSA-N 1 0 303.494 3.668 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000136725095 1019328119 /nfs/dbraw/zinc/32/81/19/1019328119.db2.gz BSZVMNKKELRDJB-MRXNPFEDSA-N 1 0 319.445 3.762 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCC34CCOCC4)ccc21 ZINC000282176791 1019548900 /nfs/dbraw/zinc/54/89/00/1019548900.db2.gz MMUHYLPZLFXCRW-LJQANCHMSA-N 1 0 314.473 3.508 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCC34CCOCC4)ccc21 ZINC000282176786 1019549999 /nfs/dbraw/zinc/54/99/99/1019549999.db2.gz MMUHYLPZLFXCRW-IBGZPJMESA-N 1 0 314.473 3.508 20 10 DHCDRO CCCC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1O ZINC000282332627 1019566601 /nfs/dbraw/zinc/56/66/01/1019566601.db2.gz BEGQJTQMGRSUAH-UHFFFAOYSA-N 1 0 323.387 3.866 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000858320368 1032845268 /nfs/dbraw/zinc/84/52/68/1032845268.db2.gz BAPUSEZKTJIMKQ-OAHLLOKOSA-N 1 0 303.789 3.831 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2C=CCCCCC2)cc1 ZINC001171730177 1032847936 /nfs/dbraw/zinc/84/79/36/1032847936.db2.gz RTEFKHQZHMZVBA-QGZVFWFLSA-N 1 0 302.462 3.952 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000727466985 1019720458 /nfs/dbraw/zinc/72/04/58/1019720458.db2.gz KTLJAGBXPCGGJW-OKILXGFUSA-N 1 0 308.441 3.575 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c(O)c1 ZINC000728593573 1019794208 /nfs/dbraw/zinc/79/42/08/1019794208.db2.gz XIXANTVJJMWFSO-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCO2 ZINC000176983055 1020154168 /nfs/dbraw/zinc/15/41/68/1020154168.db2.gz MYAPXJUSTPVWOF-GHMZBOCLSA-N 1 0 303.333 3.672 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000309895296 1020177724 /nfs/dbraw/zinc/17/77/24/1020177724.db2.gz PXQLETBHSOVGKJ-FXAWDEMLSA-N 1 0 323.484 3.678 20 10 DHCDRO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)CC1CC1 ZINC000732665590 1020267563 /nfs/dbraw/zinc/26/75/63/1020267563.db2.gz JWLFUAKYHONWQR-UHFFFAOYSA-N 1 0 313.397 3.564 20 10 DHCDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000732980284 1020308729 /nfs/dbraw/zinc/30/87/29/1020308729.db2.gz WPUUCEUXIGOKSS-IBGZPJMESA-N 1 0 313.397 3.950 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCSCc2ccccc2)cc1F ZINC000733322702 1020368619 /nfs/dbraw/zinc/36/86/19/1020368619.db2.gz AVMVILXCQDQIDQ-UHFFFAOYSA-N 1 0 318.461 3.915 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1F ZINC000733326003 1020371324 /nfs/dbraw/zinc/37/13/24/1020371324.db2.gz CQBZMNZUEUTHEC-UHFFFAOYSA-N 1 0 323.415 3.772 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892476927 1020431626 /nfs/dbraw/zinc/43/16/26/1020431626.db2.gz YUZXDJJJJJRPHX-UHFFFAOYSA-N 1 0 319.792 3.604 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCCC12CCOCC2 ZINC000282563409 1020460091 /nfs/dbraw/zinc/46/00/91/1020460091.db2.gz STYUOMYIDXNUSX-SFHVURJKSA-N 1 0 302.462 3.711 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000282694459 1020497127 /nfs/dbraw/zinc/49/71/27/1020497127.db2.gz LKGTUQDZJMKZCL-QGZVFWFLSA-N 1 0 318.848 3.747 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000186863341 1020511459 /nfs/dbraw/zinc/51/14/59/1020511459.db2.gz GAZKCBJRRKZNSL-OAHLLOKOSA-N 1 0 318.442 3.811 20 10 DHCDRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CCO2 ZINC000921719499 1020567600 /nfs/dbraw/zinc/56/76/00/1020567600.db2.gz QVEVMRBTMAOBIN-KRWDZBQOSA-N 1 0 313.372 3.764 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000858486867 1032914247 /nfs/dbraw/zinc/91/42/47/1032914247.db2.gz SUJUUPBTSVPHIS-ACJLOTCBSA-N 1 0 312.413 3.988 20 10 DHCDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000858485439 1032914836 /nfs/dbraw/zinc/91/48/36/1032914836.db2.gz MXVVMZSLARJNFS-ZBFHGGJFSA-N 1 0 301.430 3.993 20 10 DHCDRO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000734844296 1020667699 /nfs/dbraw/zinc/66/76/99/1020667699.db2.gz MBFZACTZHISTPH-HXUWFJFHSA-N 1 0 319.404 3.882 20 10 DHCDRO CCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(O)c1 ZINC000734850880 1020669499 /nfs/dbraw/zinc/66/94/99/1020669499.db2.gz PXKFOVCSJLWGRO-UHFFFAOYSA-N 1 0 318.442 3.807 20 10 DHCDRO C[C@H]([NH2+][C@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411275 1020695529 /nfs/dbraw/zinc/69/55/29/1020695529.db2.gz NMAVBTNOBQKMCG-ZANVPECISA-N 1 0 307.752 3.969 20 10 DHCDRO CCc1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000735304492 1020716685 /nfs/dbraw/zinc/71/66/85/1020716685.db2.gz HMCOJTVXDZUMPS-UHFFFAOYSA-N 1 0 310.441 3.580 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000725847291 1020721191 /nfs/dbraw/zinc/72/11/91/1020721191.db2.gz YVSXYNLASYRIPQ-LRDDRELGSA-N 1 0 301.386 3.797 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1C(C)C ZINC000738159020 1020863096 /nfs/dbraw/zinc/86/30/96/1020863096.db2.gz QBZWNJGEANMGLY-QGZVFWFLSA-N 1 0 313.445 3.858 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCCO1 ZINC000738158574 1020863226 /nfs/dbraw/zinc/86/32/26/1020863226.db2.gz MPCZPLROZQCBKU-ZDUSSCGKSA-N 1 0 311.381 3.902 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000742377152 1021114144 /nfs/dbraw/zinc/11/41/44/1021114144.db2.gz NETNKQBOUXHXHM-SJLPKXTDSA-N 1 0 304.478 3.828 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000742377032 1021114391 /nfs/dbraw/zinc/11/43/91/1021114391.db2.gz LUWUZENLRRXUOD-HNNXBMFYSA-N 1 0 319.788 3.668 20 10 DHCDRO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000742375707 1021114680 /nfs/dbraw/zinc/11/46/80/1021114680.db2.gz RXTFOJCREOLDEM-HXUWFJFHSA-N 1 0 323.392 3.650 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000742377616 1021115272 /nfs/dbraw/zinc/11/52/72/1021115272.db2.gz ORIWZORTCRRJEG-SFHVURJKSA-N 1 0 317.816 3.752 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000742376798 1021115454 /nfs/dbraw/zinc/11/54/54/1021115454.db2.gz HOVJLLUXFMOMKR-QRVBRYPASA-N 1 0 316.489 3.826 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc(F)ccc1O ZINC000176983388 1021191126 /nfs/dbraw/zinc/19/11/26/1021191126.db2.gz GLSQLUMJYUDWPG-NWDGAFQWSA-N 1 0 317.360 3.714 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1F ZINC001202407345 1021240020 /nfs/dbraw/zinc/24/00/20/1021240020.db2.gz HUSYLNOOJUXPPG-UHFFFAOYSA-N 1 0 310.457 3.559 20 10 DHCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000743385712 1021278809 /nfs/dbraw/zinc/27/88/09/1021278809.db2.gz QHNMUQMUBLDIKU-UHFFFAOYSA-N 1 0 310.319 3.715 20 10 DHCDRO CCCC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O ZINC000801599653 1021286827 /nfs/dbraw/zinc/28/68/27/1021286827.db2.gz XTQZJKHVLJAVBH-UHFFFAOYSA-N 1 0 320.477 3.640 20 10 DHCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000107671052 1021338279 /nfs/dbraw/zinc/33/82/79/1021338279.db2.gz LEJADCUUQAJQST-HNNXBMFYSA-N 1 0 305.462 3.857 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc(C#N)c1 ZINC000181773923 1021344035 /nfs/dbraw/zinc/34/40/35/1021344035.db2.gz DHAYHCHTXVDLHA-GFCCVEGCSA-N 1 0 303.456 3.848 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154525287 1021363159 /nfs/dbraw/zinc/36/31/59/1021363159.db2.gz NOAXNTXRQNIGJC-NVXWUHKLSA-N 1 0 319.468 3.561 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850006885 1021395200 /nfs/dbraw/zinc/39/52/00/1021395200.db2.gz FCCLRFNLKUFPNY-CYBMUJFWSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cc(C[NH2+]CCCCSC)c(O)c(C(C)(C)C)c1 ZINC000850145612 1021428149 /nfs/dbraw/zinc/42/81/49/1021428149.db2.gz PTTWBJJTXNLYQW-UHFFFAOYSA-N 1 0 311.491 3.931 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000850192337 1021437161 /nfs/dbraw/zinc/43/71/61/1021437161.db2.gz HDPUZYCBFOMTJG-LBPRGKRZSA-N 1 0 313.388 3.976 20 10 DHCDRO CCOc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1O ZINC000069953128 1021442322 /nfs/dbraw/zinc/44/23/22/1021442322.db2.gz RVXDXDRLWUYABB-UHFFFAOYSA-N 1 0 320.477 3.535 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850227733 1021447627 /nfs/dbraw/zinc/44/76/27/1021447627.db2.gz YKAYFEAFZAMITP-AWEZNQCLSA-N 1 0 321.461 3.746 20 10 DHCDRO COc1cc(C[NH2+]CCCCOC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850243856 1021452402 /nfs/dbraw/zinc/45/24/02/1021452402.db2.gz HXMMTLJGQQNCLO-UHFFFAOYSA-N 1 0 323.477 3.993 20 10 DHCDRO COc1cc(C[NH2+]CC(C)(C)C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000850318158 1021472459 /nfs/dbraw/zinc/47/24/59/1021472459.db2.gz JGEYJLBFYZBWPZ-UHFFFAOYSA-N 1 0 323.477 3.585 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368338 1021490841 /nfs/dbraw/zinc/49/08/41/1021490841.db2.gz BUGUSFJORTYQEI-UXHICEINSA-N 1 0 310.441 3.801 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850374252 1021497654 /nfs/dbraw/zinc/49/76/54/1021497654.db2.gz LERFLPCYDIXDSZ-DOTOQJQBSA-N 1 0 303.789 3.622 20 10 DHCDRO COCc1csc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000850377439 1021498717 /nfs/dbraw/zinc/49/87/17/1021498717.db2.gz HHNPHESXKDUWHX-SNAWJCMRSA-N 1 0 316.470 3.764 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1F ZINC000850379317 1021499668 /nfs/dbraw/zinc/49/96/68/1021499668.db2.gz KTIYSVYIWWBHJY-HNNXBMFYSA-N 1 0 300.368 3.807 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1C ZINC000850382037 1021501465 /nfs/dbraw/zinc/50/14/65/1021501465.db2.gz NGMNHUKZJIJPKF-KRWDZBQOSA-N 1 0 302.462 3.506 20 10 DHCDRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850412104 1021517277 /nfs/dbraw/zinc/51/72/77/1021517277.db2.gz SWGGLRVHPWXHSK-INIZCTEOSA-N 1 0 311.381 3.597 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)F)nc1 ZINC000850430082 1021528442 /nfs/dbraw/zinc/52/84/42/1021528442.db2.gz MZBCKSNHVXCYHD-LLVKDONJSA-N 1 0 304.340 3.805 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(C(F)F)CC3)C2)cc1 ZINC000850486224 1021558734 /nfs/dbraw/zinc/55/87/34/1021558734.db2.gz AYHTTWHMZKQLGX-YMAMQOFZSA-N 1 0 324.415 3.687 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc(OC)ccc1O)c1nc(C)cs1 ZINC000182226642 1021559069 /nfs/dbraw/zinc/55/90/69/1021559069.db2.gz BUXATCUDRGWUPV-MRXNPFEDSA-N 1 0 306.431 3.581 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4occc43)C2)cc1 ZINC000850487115 1021561891 /nfs/dbraw/zinc/56/18/91/1021561891.db2.gz GDWOOLULSVEAEG-KSSFIOAISA-N 1 0 312.413 3.534 20 10 DHCDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850501754 1021564080 /nfs/dbraw/zinc/56/40/80/1021564080.db2.gz OZPIRCZSNUMDEV-ZDUSSCGKSA-N 1 0 309.450 3.629 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C=CCC2)c1O ZINC000850507866 1021566575 /nfs/dbraw/zinc/56/65/75/1021566575.db2.gz KNJPRPIDROCUJC-ONGXEEELSA-N 1 0 312.207 3.533 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511039 1021568129 /nfs/dbraw/zinc/56/81/29/1021568129.db2.gz YRHGHSCRCBNEHY-UONOGXRCSA-N 1 0 306.837 3.546 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000850513788 1021571315 /nfs/dbraw/zinc/57/13/15/1021571315.db2.gz JOANHHFNHPGMDW-IEZWGBDMSA-N 1 0 302.462 3.895 20 10 DHCDRO CCCSC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728880 1021579808 /nfs/dbraw/zinc/57/98/08/1021579808.db2.gz GKZIMMKZUQQALY-CVEARBPZSA-N 1 0 322.518 3.706 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(Cl)cc1O ZINC000850534032 1021587322 /nfs/dbraw/zinc/58/73/22/1021587322.db2.gz FPMPKLIZQBCTNZ-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000850544355 1021594877 /nfs/dbraw/zinc/59/48/77/1021594877.db2.gz GERUTXRHLJMRTK-SJLPKXTDSA-N 1 0 316.489 3.736 20 10 DHCDRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(Cl)cc1O ZINC000850565971 1021609042 /nfs/dbraw/zinc/60/90/42/1021609042.db2.gz INUUUCUIOYLTIU-SNVBAGLBSA-N 1 0 319.779 3.637 20 10 DHCDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565411 1021609224 /nfs/dbraw/zinc/60/92/24/1021609224.db2.gz DNELUEOWKMAOIO-UXHICEINSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000850565877 1021609389 /nfs/dbraw/zinc/60/93/89/1021609389.db2.gz IWFDZIYLIVSKIZ-INIZCTEOSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C ZINC000850568130 1021610826 /nfs/dbraw/zinc/61/08/26/1021610826.db2.gz PYJXENCPWBOFJH-RBUKOAKNSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850567404 1021611281 /nfs/dbraw/zinc/61/12/81/1021611281.db2.gz BNQMITBMYANSHK-JXXFODFXSA-N 1 0 316.489 3.562 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000850568145 1021611339 /nfs/dbraw/zinc/61/13/39/1021611339.db2.gz QGEOEMIUYLGRRU-FQEVSTJZSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850585201 1021624421 /nfs/dbraw/zinc/62/44/21/1021624421.db2.gz WYPNYXCFUBYWPI-NVGCLXPQSA-N 1 0 305.805 3.818 20 10 DHCDRO COC(=O)CC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000918733172 1021634587 /nfs/dbraw/zinc/63/45/87/1021634587.db2.gz OANHBZPKVHQTGC-UHFFFAOYSA-N 1 0 319.445 3.599 20 10 DHCDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892859143 1021654273 /nfs/dbraw/zinc/65/42/73/1021654273.db2.gz DFMUUSGIWWMPFL-MRXNPFEDSA-N 1 0 315.413 3.520 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSc2ccccc2F)c1 ZINC000182445954 1021656453 /nfs/dbraw/zinc/65/64/53/1021656453.db2.gz UIKGECDRDQJXQW-GFCCVEGCSA-N 1 0 321.417 3.983 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1O ZINC000154823889 1021660584 /nfs/dbraw/zinc/66/05/84/1021660584.db2.gz XLFVDOIUKNAAPS-ZWKOTPCHSA-N 1 0 316.420 3.875 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776496675 1021663693 /nfs/dbraw/zinc/66/36/93/1021663693.db2.gz BMPXJTANNLSUNY-KUHUBIRLSA-N 1 0 316.420 3.758 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000776498574 1021676970 /nfs/dbraw/zinc/67/69/70/1021676970.db2.gz OGJLXNVWECNNGR-FZKQIMNGSA-N 1 0 303.377 3.706 20 10 DHCDRO C[N@H+](Cc1ccc(CO)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000182617140 1021740648 /nfs/dbraw/zinc/74/06/48/1021740648.db2.gz LQGGEVADZODQER-UHFFFAOYSA-N 1 0 324.468 3.801 20 10 DHCDRO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC000109769272 1021748139 /nfs/dbraw/zinc/74/81/39/1021748139.db2.gz MCPPGUZQKFRIHX-UHFFFAOYSA-N 1 0 318.804 3.506 20 10 DHCDRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001203209049 1021870791 /nfs/dbraw/zinc/87/07/91/1021870791.db2.gz WTAUZEQVVGDXSZ-GOSISDBHSA-N 1 0 317.433 3.863 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000182919389 1021886534 /nfs/dbraw/zinc/88/65/34/1021886534.db2.gz ZEZSSEOZZYZWCG-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c(O)c1OC ZINC000893098582 1021923111 /nfs/dbraw/zinc/92/31/11/1021923111.db2.gz BJSULFCOAPAYHE-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000920183091 1022072111 /nfs/dbraw/zinc/07/21/11/1022072111.db2.gz BILZGDPYUCFWHM-AWEZNQCLSA-N 1 0 317.433 3.721 20 10 DHCDRO CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766383377 1022084110 /nfs/dbraw/zinc/08/41/10/1022084110.db2.gz WGEVHKUQRLJZGD-QGZVFWFLSA-N 1 0 320.477 3.915 20 10 DHCDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766383333 1022085393 /nfs/dbraw/zinc/08/53/93/1022085393.db2.gz VYYZUHMWKIEYDR-CQSZACIVSA-N 1 0 306.450 3.525 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401440 1022094622 /nfs/dbraw/zinc/09/46/22/1022094622.db2.gz QRSVQWJBKHQJEZ-PMACEKPBSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766497699 1022134373 /nfs/dbraw/zinc/13/43/73/1022134373.db2.gz PEBGUMPSLJFRQQ-KBXCAEBGSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1O ZINC000183415366 1022137844 /nfs/dbraw/zinc/13/78/44/1022137844.db2.gz ZXMSSBXUZFFSQG-CQSZACIVSA-N 1 0 312.413 3.959 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1F ZINC000180508605 1022145124 /nfs/dbraw/zinc/14/51/24/1022145124.db2.gz PVKMIHXDRGQZIV-LBPRGKRZSA-N 1 0 304.413 3.554 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1O ZINC000183538866 1022176381 /nfs/dbraw/zinc/17/63/81/1022176381.db2.gz SRYWTPXNWGHLID-LSDHHAIUSA-N 1 0 307.397 3.990 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2Br)c1 ZINC000071408328 1022180535 /nfs/dbraw/zinc/18/05/35/1022180535.db2.gz GMXBVBIPFGDKCS-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000183541057 1022180879 /nfs/dbraw/zinc/18/08/79/1022180879.db2.gz QMDWPXZUOFGKRC-DLBZAZTESA-N 1 0 312.457 3.953 20 10 DHCDRO CC(C)c1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852848510 1022183582 /nfs/dbraw/zinc/18/35/82/1022183582.db2.gz LOPUKFNKGBFDHQ-UHFFFAOYSA-N 1 0 308.425 3.732 20 10 DHCDRO CC[C@@H]1C[C@@H](C[N@H+](CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780754323 1022240250 /nfs/dbraw/zinc/24/02/50/1022240250.db2.gz MUCHSJNWVBJDKO-PKOBYXMFSA-N 1 0 304.478 3.780 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1cn2ccccc2n1)C1CCCC1 ZINC000111245068 1022262940 /nfs/dbraw/zinc/26/29/40/1022262940.db2.gz DUUVRRGNJPFCMN-UHFFFAOYSA-N 1 0 321.424 3.985 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861436 1022347030 /nfs/dbraw/zinc/34/70/30/1022347030.db2.gz WQYVPQZOCQBKFO-QRWLVFNGSA-N 1 0 321.424 3.874 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c(O)c1 ZINC000363866344 1022354763 /nfs/dbraw/zinc/35/47/63/1022354763.db2.gz IAAXTJWHRARZDF-OAHLLOKOSA-N 1 0 319.445 3.572 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223332 1033048077 /nfs/dbraw/zinc/04/80/77/1033048077.db2.gz COVLLYAOGMBNTO-BWMCOSIFSA-N 1 0 315.457 3.932 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC001169463509 1022423233 /nfs/dbraw/zinc/42/32/33/1022423233.db2.gz WTFCXAWUXVRHMK-CRAIPNDOSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](CCn1cccn1)Cc1ccccc1O ZINC000179645082 1022495043 /nfs/dbraw/zinc/49/50/43/1022495043.db2.gz NRVTVKOAIDETPT-KRWDZBQOSA-N 1 0 321.424 3.852 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1O ZINC000179650196 1022497157 /nfs/dbraw/zinc/49/71/57/1022497157.db2.gz BIRUJBYVWDCHKY-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000185672416 1022510026 /nfs/dbraw/zinc/51/00/26/1022510026.db2.gz LFPWNRPFOOXVEY-JKIFEVAISA-N 1 0 314.473 3.547 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1cccc(OC)c1 ZINC000179723298 1022519227 /nfs/dbraw/zinc/51/92/27/1022519227.db2.gz FJMWTSVILAHXJZ-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3OC)c1 ZINC000185743440 1022519824 /nfs/dbraw/zinc/51/98/24/1022519824.db2.gz MFJUEZNQSVBJMC-PXAZEXFGSA-N 1 0 313.397 3.748 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CC3(C2)CCCC3)cc1Br ZINC001237682421 1022545092 /nfs/dbraw/zinc/54/50/92/1022545092.db2.gz XLFNPYFCRWTUBQ-UHFFFAOYSA-N 1 0 310.235 3.839 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000180011122 1022603983 /nfs/dbraw/zinc/60/39/83/1022603983.db2.gz XWTSRCGUUQVFJG-UHFFFAOYSA-N 1 0 319.351 3.714 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240015 1033066776 /nfs/dbraw/zinc/06/67/76/1033066776.db2.gz JWDJNFQUYSBPPA-BWMCOSIFSA-N 1 0 313.441 3.708 20 10 DHCDRO Oc1cccc(C[N@@H+](Cc2cc(F)ccc2O)CC2CC2)c1 ZINC000180013089 1022613974 /nfs/dbraw/zinc/61/39/74/1022613974.db2.gz VYDXBCSLPCXKOV-UHFFFAOYSA-N 1 0 301.361 3.649 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000068478643 1022651977 /nfs/dbraw/zinc/65/19/77/1022651977.db2.gz NHQWCUXHPULZCY-OAHLLOKOSA-N 1 0 314.404 3.513 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000763676969 1022818930 /nfs/dbraw/zinc/81/89/30/1022818930.db2.gz UEZNNDOFTNBBGA-UHFFFAOYSA-N 1 0 315.486 3.897 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000763677765 1022820311 /nfs/dbraw/zinc/82/03/11/1022820311.db2.gz WLXMQZFMXXGLHK-UHFFFAOYSA-N 1 0 318.442 3.545 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C12CCC2 ZINC000742373399 1022824452 /nfs/dbraw/zinc/82/44/52/1022824452.db2.gz BIRRSCSRRPLGJV-OALUTQOASA-N 1 0 316.489 3.970 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCCC2 ZINC000742390487 1022829624 /nfs/dbraw/zinc/82/96/24/1022829624.db2.gz IFOBKCCYXDECHB-ZWKOTPCHSA-N 1 0 320.452 3.719 20 10 DHCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000114508670 1022841379 /nfs/dbraw/zinc/84/13/79/1022841379.db2.gz RUVIXWUXDMFXFF-NRFANRHFSA-N 1 0 324.468 3.674 20 10 DHCDRO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000768131932 1022897843 /nfs/dbraw/zinc/89/78/43/1022897843.db2.gz BRKKOLHOZPXXOA-UHFFFAOYSA-N 1 0 314.477 3.795 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000768137079 1022905635 /nfs/dbraw/zinc/90/56/35/1022905635.db2.gz FZGNKIKGWKMAAL-KRWDZBQOSA-N 1 0 312.413 3.913 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000768160449 1022907530 /nfs/dbraw/zinc/90/75/30/1022907530.db2.gz NXJZGXRTCXKETH-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(Cl)n1 ZINC000857020563 1022922819 /nfs/dbraw/zinc/92/28/19/1022922819.db2.gz AOJWNTGLCPZGJA-UHFFFAOYSA-N 1 0 319.836 3.724 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000768212599 1022924331 /nfs/dbraw/zinc/92/43/31/1022924331.db2.gz MNTZCFQPOGNUBW-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000768233901 1022929695 /nfs/dbraw/zinc/92/96/95/1022929695.db2.gz AYLNYVVUZYEBKR-UHFFFAOYSA-N 1 0 310.441 3.838 20 10 DHCDRO CCCC[N@H+](Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857043939 1022930646 /nfs/dbraw/zinc/93/06/46/1022930646.db2.gz FDUFBEKQFHMALK-UHFFFAOYSA-N 1 0 307.825 3.581 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2OCC)c(O)c1 ZINC000768251986 1022933758 /nfs/dbraw/zinc/93/37/58/1022933758.db2.gz CSLOXPSNWALUQA-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768261230 1022936205 /nfs/dbraw/zinc/93/62/05/1022936205.db2.gz AHTNLKADCVTLOK-NVXWUHKLSA-N 1 0 320.452 3.673 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C ZINC000768245410 1022938663 /nfs/dbraw/zinc/93/86/63/1022938663.db2.gz RVCJYWNIKKOFRE-HXUWFJFHSA-N 1 0 324.468 3.715 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CC(Cc3ccsc3)C2)c1O ZINC000857067936 1022939458 /nfs/dbraw/zinc/93/94/58/1022939458.db2.gz JATWOJUMXYTKFU-UHFFFAOYSA-N 1 0 323.845 3.790 20 10 DHCDRO CCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCCCC1 ZINC000768442160 1022967148 /nfs/dbraw/zinc/96/71/48/1022967148.db2.gz JRYFEFUMWFKOJZ-SFHVURJKSA-N 1 0 319.445 3.610 20 10 DHCDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876580057 1033096756 /nfs/dbraw/zinc/09/67/56/1033096756.db2.gz QDKBIRLKBCGYJD-LJQANCHMSA-N 1 0 316.489 3.658 20 10 DHCDRO COc1cc(O)c(C[N@H+]2CC=C(C(C)(C)C)CC2)cc1OC ZINC000768464609 1022972772 /nfs/dbraw/zinc/97/27/72/1022972772.db2.gz CZPSPKXQHHQULV-UHFFFAOYSA-N 1 0 305.418 3.588 20 10 DHCDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462958 1022974387 /nfs/dbraw/zinc/97/43/87/1022974387.db2.gz PGKWZPVSURMDFA-ZFWWWQNUSA-N 1 0 307.434 3.810 20 10 DHCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000768519816 1022979219 /nfs/dbraw/zinc/97/92/19/1022979219.db2.gz IGWRVEGQJDMXJX-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000768541780 1022986657 /nfs/dbraw/zinc/98/66/57/1022986657.db2.gz AEPMPDDUZFYSMI-AWEZNQCLSA-N 1 0 308.441 3.529 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccsc1Br)CC2 ZINC000296621294 1023011939 /nfs/dbraw/zinc/01/19/39/1023011939.db2.gz ZDYCPMICLHKZDN-LLVKDONJSA-N 1 0 324.243 3.993 20 10 DHCDRO OC1CCN(c2ccc(C[N@H+](C3CC3)C3CCCC3)cc2)CC1 ZINC000876571327 1033096218 /nfs/dbraw/zinc/09/62/18/1033096218.db2.gz JDQAPYVBWHRSDW-UHFFFAOYSA-N 1 0 314.473 3.555 20 10 DHCDRO CC[NH+](CC)Cc1cccc(NCc2ccc(O)c(O)c2)c1F ZINC001169997220 1023041280 /nfs/dbraw/zinc/04/12/80/1023041280.db2.gz VZCRKZLXFAQVOE-UHFFFAOYSA-N 1 0 318.392 3.691 20 10 DHCDRO OCC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000768946264 1023053602 /nfs/dbraw/zinc/05/36/02/1023053602.db2.gz LSHVPZFJQLLLOK-SFHVURJKSA-N 1 0 323.392 3.866 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912646 1023055024 /nfs/dbraw/zinc/05/50/24/1023055024.db2.gz ATNOTDBFHWAYCJ-JKIFEVAISA-N 1 0 322.880 3.883 20 10 DHCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1ccc(F)cc1 ZINC000768911387 1023056094 /nfs/dbraw/zinc/05/60/94/1023056094.db2.gz NJDRGOSAJPQDLS-LBPRGKRZSA-N 1 0 317.360 3.843 20 10 DHCDRO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363705 1023089189 /nfs/dbraw/zinc/08/91/89/1023089189.db2.gz OBEWZDVNMOMVNV-QUCCMNQESA-N 1 0 321.424 3.956 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000769164776 1023095272 /nfs/dbraw/zinc/09/52/72/1023095272.db2.gz LIGSIIQWOWRBJD-UHFFFAOYSA-N 1 0 323.484 3.853 20 10 DHCDRO CCC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1O ZINC000769201042 1023101118 /nfs/dbraw/zinc/10/11/18/1023101118.db2.gz OZEMDSNLIGNBEH-UHFFFAOYSA-N 1 0 309.413 3.761 20 10 DHCDRO CCC[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1O ZINC000769200604 1023101471 /nfs/dbraw/zinc/10/14/71/1023101471.db2.gz BWAGFGGVRAJGOZ-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769311586 1023118822 /nfs/dbraw/zinc/11/88/22/1023118822.db2.gz NDLBELOPYIFSHN-LJQANCHMSA-N 1 0 312.461 3.566 20 10 DHCDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001172372717 1033107151 /nfs/dbraw/zinc/10/71/51/1033107151.db2.gz GTKIGNGSMKRMKK-UWVAXJGDSA-N 1 0 316.489 3.780 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000184811914 1023129505 /nfs/dbraw/zinc/12/95/05/1023129505.db2.gz ICWANQILHSGFNJ-FQEVSTJZSA-N 1 0 309.409 3.640 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)OCc1ccccc13)CCC2 ZINC000184811762 1023129770 /nfs/dbraw/zinc/12/97/70/1023129770.db2.gz NPLKGSBMIXMIET-NRFANRHFSA-N 1 0 321.420 3.512 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000876616066 1033107185 /nfs/dbraw/zinc/10/71/85/1033107185.db2.gz RBAFLHCEQNWNBE-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000769390589 1023139168 /nfs/dbraw/zinc/13/91/68/1023139168.db2.gz ZJMXCKNXDRHEHH-GFCCVEGCSA-N 1 0 305.805 3.814 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000769390350 1023139512 /nfs/dbraw/zinc/13/95/12/1023139512.db2.gz VJKVITPRKZHWIW-CQSZACIVSA-N 1 0 315.413 3.560 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H](SCC)C2)c1O ZINC000769404082 1023140789 /nfs/dbraw/zinc/14/07/89/1023140789.db2.gz NGOYOJNWUNQSES-OAHLLOKOSA-N 1 0 309.475 3.899 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H](SCC)C2)c1O ZINC000769404078 1023140926 /nfs/dbraw/zinc/14/09/26/1023140926.db2.gz NGOYOJNWUNQSES-HNNXBMFYSA-N 1 0 309.475 3.899 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000769426999 1023147146 /nfs/dbraw/zinc/14/71/46/1023147146.db2.gz XJPSIVGZKQFYQO-HNNXBMFYSA-N 1 0 315.388 3.605 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000769396519 1023149742 /nfs/dbraw/zinc/14/97/42/1023149742.db2.gz LYAHWVOWJFLRKO-OAHLLOKOSA-N 1 0 315.388 3.920 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000769480764 1023150626 /nfs/dbraw/zinc/15/06/26/1023150626.db2.gz ORRWXEKEIAOIMD-UHFFFAOYSA-N 1 0 313.788 3.521 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000769485212 1023151416 /nfs/dbraw/zinc/15/14/16/1023151416.db2.gz LVPPEHIMCUQWHN-FQEVSTJZSA-N 1 0 316.489 3.925 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC000859232232 1033109048 /nfs/dbraw/zinc/10/90/48/1033109048.db2.gz IFXBAORZYHSUIK-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO COc1cccc(O)c1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000769451874 1023155776 /nfs/dbraw/zinc/15/57/76/1023155776.db2.gz NXFKHROMQQEWQB-UHFFFAOYSA-N 1 0 315.388 3.952 20 10 DHCDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769447375 1023156559 /nfs/dbraw/zinc/15/65/59/1023156559.db2.gz YROFLESGEPTGCY-LJQANCHMSA-N 1 0 302.462 3.535 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464786 1023159273 /nfs/dbraw/zinc/15/92/73/1023159273.db2.gz ANVMVIRFNUYCII-HIFRSBDPSA-N 1 0 315.388 3.918 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000364432343 1023172977 /nfs/dbraw/zinc/17/29/77/1023172977.db2.gz AVZUBOUFLDZUBW-YYFZDKIDSA-N 1 0 310.441 3.624 20 10 DHCDRO CC(C)[N@H+](CCO[C@H]1CCCCO1)Cc1ccc(N(C)C)cc1 ZINC000769712270 1023198432 /nfs/dbraw/zinc/19/84/32/1023198432.db2.gz ZNKJKFGMNMQVBN-IBGZPJMESA-N 1 0 320.477 3.506 20 10 DHCDRO CCC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1O ZINC000876654814 1033114336 /nfs/dbraw/zinc/11/43/36/1033114336.db2.gz QAGCIMGTMPJTLP-UHFFFAOYSA-N 1 0 312.369 3.651 20 10 DHCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000769874495 1023237007 /nfs/dbraw/zinc/23/70/07/1023237007.db2.gz OIKOYDBEXYAEGM-ZDUSSCGKSA-N 1 0 313.445 3.779 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc2ccccc2c1O ZINC000769988121 1023257693 /nfs/dbraw/zinc/25/76/93/1023257693.db2.gz NCWIIGSQTVFESL-PXAZEXFGSA-N 1 0 313.422 3.991 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991735 1023257701 /nfs/dbraw/zinc/25/77/01/1023257701.db2.gz ZTEZGKMVXZUYLK-IAGOWNOFSA-N 1 0 304.459 3.588 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000770750101 1023346780 /nfs/dbraw/zinc/34/67/80/1023346780.db2.gz ZKEXPAHRBWZKST-ACJLOTCBSA-N 1 0 303.377 3.706 20 10 DHCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000770746178 1023347179 /nfs/dbraw/zinc/34/71/79/1023347179.db2.gz LHNOHGGZCPILLY-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C)cc1O)CCC2 ZINC000876732532 1033127819 /nfs/dbraw/zinc/12/78/19/1033127819.db2.gz YGFFUSSSPVFHCS-OAHLLOKOSA-N 1 0 302.443 3.975 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(O)(CC)CC2)cc1 ZINC000771874564 1023479646 /nfs/dbraw/zinc/47/96/46/1023479646.db2.gz MSOIQMNANZXQSB-UHFFFAOYSA-N 1 0 304.478 3.706 20 10 DHCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000771889570 1023481730 /nfs/dbraw/zinc/48/17/30/1023481730.db2.gz UJUABEJHGJRHEU-IEBWSBKVSA-N 1 0 302.462 3.580 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000772471318 1023558020 /nfs/dbraw/zinc/55/80/20/1023558020.db2.gz GGFXJZMLAYZDSO-NZSAHSFTSA-N 1 0 304.478 3.997 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785559043 1023590822 /nfs/dbraw/zinc/59/08/22/1023590822.db2.gz KDQVCPNCJAQUSF-UZLBHIALSA-N 1 0 312.457 3.790 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1C ZINC000786581332 1023708711 /nfs/dbraw/zinc/70/87/11/1023708711.db2.gz HNSYPOPEHYCZMC-WMZOPIPTSA-N 1 0 313.441 3.572 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1F ZINC000066906409 1023739274 /nfs/dbraw/zinc/73/92/74/1023739274.db2.gz NKAIDFIUYTZCRO-UHFFFAOYSA-N 1 0 311.404 3.833 20 10 DHCDRO CO[C@@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000786952267 1023739377 /nfs/dbraw/zinc/73/93/77/1023739377.db2.gz ZSLVKKANGUKMEU-PELKAZGASA-N 1 0 311.731 3.664 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764012 1023743636 /nfs/dbraw/zinc/74/36/36/1023743636.db2.gz CUWNANCVOZWLBJ-WCQYABFASA-N 1 0 311.372 3.813 20 10 DHCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000746628550 1023753702 /nfs/dbraw/zinc/75/37/02/1023753702.db2.gz WWYGLXHBKKDOHF-UHFFFAOYSA-N 1 0 315.461 3.851 20 10 DHCDRO COC(C)(C)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000787152546 1023763548 /nfs/dbraw/zinc/76/35/48/1023763548.db2.gz WMPZNVYIGRUMDX-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1O ZINC000787405910 1023793618 /nfs/dbraw/zinc/79/36/18/1023793618.db2.gz HEMGXUYLZIPFBF-GXDHUFHOSA-N 1 0 312.369 3.836 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000788260195 1023867055 /nfs/dbraw/zinc/86/70/55/1023867055.db2.gz VQXCLLMQLNXBRJ-ZBFHGGJFSA-N 1 0 301.434 3.525 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788503126 1023896198 /nfs/dbraw/zinc/89/61/98/1023896198.db2.gz LYDQQDBKZFOHFE-IEBWSBKVSA-N 1 0 324.468 3.934 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000788537857 1023902017 /nfs/dbraw/zinc/90/20/17/1023902017.db2.gz KLPHOAHAWXACCL-ROUUACIJSA-N 1 0 319.832 3.893 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)c(O)c1 ZINC000788528238 1023906914 /nfs/dbraw/zinc/90/69/14/1023906914.db2.gz QHZLSINQFFXONI-IKGGRYGDSA-N 1 0 304.478 3.923 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788646833 1023914547 /nfs/dbraw/zinc/91/45/47/1023914547.db2.gz DLDORNGFABJIKT-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788629384 1023916593 /nfs/dbraw/zinc/91/65/93/1023916593.db2.gz UJLZOEDBRJAPAS-AWEZNQCLSA-N 1 0 302.418 3.897 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1F ZINC000746755623 1023917866 /nfs/dbraw/zinc/91/78/66/1023917866.db2.gz OZPITXZZWRTPJD-JKSUJKDBSA-N 1 0 308.441 3.719 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1F ZINC000788988509 1023960440 /nfs/dbraw/zinc/96/04/40/1023960440.db2.gz RLGQFHSSLWUMGI-SOLBZPMBSA-N 1 0 320.452 3.577 20 10 DHCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000193874810 1023978745 /nfs/dbraw/zinc/97/87/45/1023978745.db2.gz LGIGSIKHTHZTKK-VHDGCEQUSA-N 1 0 313.397 3.538 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000185482193 1024030717 /nfs/dbraw/zinc/03/07/17/1024030717.db2.gz LHRCXKNIBVIIBM-UKRRQHHQSA-N 1 0 301.430 3.993 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(O)c1 ZINC000876915874 1033184641 /nfs/dbraw/zinc/18/46/41/1033184641.db2.gz ZONIZNAKVPQNML-CQSZACIVSA-N 1 0 324.424 3.900 20 10 DHCDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236785012 1024070381 /nfs/dbraw/zinc/07/03/81/1024070381.db2.gz SLMQSGVXMUWYPH-PMACEKPBSA-N 1 0 316.489 3.828 20 10 DHCDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000789586292 1024119891 /nfs/dbraw/zinc/11/98/91/1024119891.db2.gz JZQMQCXJIQCQAF-PMPSAXMXSA-N 1 0 320.452 3.529 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCOCC1 ZINC000268565067 1024128060 /nfs/dbraw/zinc/12/80/60/1024128060.db2.gz PDNXWKYKWUKNKJ-HNNXBMFYSA-N 1 0 311.425 3.964 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000789759106 1024158552 /nfs/dbraw/zinc/15/85/52/1024158552.db2.gz ZRGZFLKUZUJJOQ-UHFFFAOYSA-N 1 0 315.388 3.862 20 10 DHCDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268819474 1024168541 /nfs/dbraw/zinc/16/85/41/1024168541.db2.gz NJHRYXJVLYFOTO-IAGOWNOFSA-N 1 0 312.461 3.613 20 10 DHCDRO CN(c1ccc(C[NH2+]Cc2ccncc2N)cc1)C1CCCCC1 ZINC000882940317 1024180288 /nfs/dbraw/zinc/18/02/88/1024180288.db2.gz PMXSUFRCJIWZEV-UHFFFAOYSA-N 1 0 324.472 3.723 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(N(C)C)cc1 ZINC000268902742 1024191828 /nfs/dbraw/zinc/19/18/28/1024191828.db2.gz MNBBERHLYRQIQM-IBGZPJMESA-N 1 0 322.456 3.950 20 10 DHCDRO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882986208 1024194833 /nfs/dbraw/zinc/19/48/33/1024194833.db2.gz MGXRFBMYRLRXMU-INIZCTEOSA-N 1 0 319.351 3.846 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C[C@H](C)O ZINC000268974769 1024206323 /nfs/dbraw/zinc/20/63/23/1024206323.db2.gz JATJUIOUEARKIT-IKGGRYGDSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269003421 1024218177 /nfs/dbraw/zinc/21/81/77/1024218177.db2.gz PREMTUXPCWDRSB-VQIMIIECSA-N 1 0 312.457 3.569 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000876967733 1033194843 /nfs/dbraw/zinc/19/48/43/1033194843.db2.gz KECJFSUQGAIGKI-YLJYHZDGSA-N 1 0 311.425 3.958 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1C ZINC000269338787 1024263000 /nfs/dbraw/zinc/26/30/00/1024263000.db2.gz OMBVJWQLJWWSMM-INIZCTEOSA-N 1 0 321.486 3.538 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1C ZINC000269338790 1024263282 /nfs/dbraw/zinc/26/32/82/1024263282.db2.gz OMBVJWQLJWWSMM-MRXNPFEDSA-N 1 0 321.486 3.538 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1O ZINC000790441023 1024306241 /nfs/dbraw/zinc/30/62/41/1024306241.db2.gz AERAEOGUHXWOOF-UHFFFAOYSA-N 1 0 317.816 3.921 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1O ZINC000883276039 1024345906 /nfs/dbraw/zinc/34/59/06/1024345906.db2.gz FHXCZLDOIAMAPI-BBRMVZONSA-N 1 0 323.820 3.531 20 10 DHCDRO C[C@H]([NH2+]CCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000178508351 1024364072 /nfs/dbraw/zinc/36/40/72/1024364072.db2.gz NAQJPTWJABTRCI-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278898610 1024381864 /nfs/dbraw/zinc/38/18/64/1024381864.db2.gz ZDHGKKKDRTUQGM-LPEHRKFASA-N 1 0 304.217 3.775 20 10 DHCDRO CCCN(Cc1ccnn1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000790925535 1024398315 /nfs/dbraw/zinc/39/83/15/1024398315.db2.gz ABZRCPJMPBDLSY-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790987974 1024411124 /nfs/dbraw/zinc/41/11/24/1024411124.db2.gz KABQBVTWORYYTL-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccco1 ZINC000790989212 1024411302 /nfs/dbraw/zinc/41/13/02/1024411302.db2.gz HPEZFOXBDZPPNV-GFCCVEGCSA-N 1 0 313.756 3.645 20 10 DHCDRO CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(N(C)C)cc1 ZINC000883379309 1024411604 /nfs/dbraw/zinc/41/16/04/1024411604.db2.gz WGWWCMNDLJECEB-SFHVURJKSA-N 1 0 302.462 3.753 20 10 DHCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989245 1024412134 /nfs/dbraw/zinc/41/21/34/1024412134.db2.gz AJUNFIXJMRVGNQ-HIFRSBDPSA-N 1 0 315.816 3.868 20 10 DHCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972107 1024420034 /nfs/dbraw/zinc/42/00/34/1024420034.db2.gz DDHAYMRHJXEPNX-ZBEGNZNMSA-N 1 0 315.816 3.726 20 10 DHCDRO Cc1nc(C)c(C[NH2+]Cc2c([O-])ccc(Cl)c2F)s1 ZINC000790974364 1024420152 /nfs/dbraw/zinc/42/01/52/1024420152.db2.gz UDFBJENLABBRDT-UHFFFAOYSA-N 1 0 300.786 3.548 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000790972046 1024420355 /nfs/dbraw/zinc/42/03/55/1024420355.db2.gz FCERATQPZHJNFP-UONOGXRCSA-N 1 0 313.800 3.622 20 10 DHCDRO COc1ccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398468 1024426503 /nfs/dbraw/zinc/42/65/03/1024426503.db2.gz NJQIKFLXXWFJPA-LJQANCHMSA-N 1 0 321.424 3.731 20 10 DHCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccccc1 ZINC000271080754 1024454455 /nfs/dbraw/zinc/45/44/55/1024454455.db2.gz VRXIKBMTEZPZNM-HNNXBMFYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCCOC1 ZINC000271147496 1024462249 /nfs/dbraw/zinc/46/22/49/1024462249.db2.gz BJKUILBFYHVJLX-MRXNPFEDSA-N 1 0 311.425 3.918 20 10 DHCDRO COc1cccc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1O ZINC000271187131 1024468429 /nfs/dbraw/zinc/46/84/29/1024468429.db2.gz QVTWDCMOPVOSHM-UHFFFAOYSA-N 1 0 314.429 3.656 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)OCO2 ZINC000132305540 1024470130 /nfs/dbraw/zinc/47/01/30/1024470130.db2.gz YHIIEKBSBXHVQT-LLVKDONJSA-N 1 0 322.455 3.705 20 10 DHCDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000271339545 1024490980 /nfs/dbraw/zinc/49/09/80/1024490980.db2.gz GMBABBKRRNGSRF-HOTGVXAUSA-N 1 0 311.425 3.964 20 10 DHCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000271447421 1024509201 /nfs/dbraw/zinc/50/92/01/1024509201.db2.gz FEFJZGNXNMXRPR-MRXNPFEDSA-N 1 0 312.461 3.744 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c(O)c1 ZINC000877042494 1033216997 /nfs/dbraw/zinc/21/69/97/1033216997.db2.gz RXJWPPHLSDYNDG-FQEVSTJZSA-N 1 0 311.425 3.958 20 10 DHCDRO COC1(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCCC1 ZINC000792162967 1024639446 /nfs/dbraw/zinc/63/94/46/1024639446.db2.gz SVJKCRAJDIFFDD-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000792190190 1024645093 /nfs/dbraw/zinc/64/50/93/1024645093.db2.gz QXGALOLFIVNXTO-ZDUSSCGKSA-N 1 0 305.315 3.942 20 10 DHCDRO C[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCCS1 ZINC000133567937 1024718696 /nfs/dbraw/zinc/71/86/96/1024718696.db2.gz NKVRJUYVPLFWLU-CYBMUJFWSA-N 1 0 316.264 3.530 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC001170366168 1024754885 /nfs/dbraw/zinc/75/48/85/1024754885.db2.gz VGSUUPGRWOPFOB-SFHVURJKSA-N 1 0 304.478 3.828 20 10 DHCDRO Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccccc1O ZINC000792787390 1024791766 /nfs/dbraw/zinc/79/17/66/1024791766.db2.gz DQUXMGGMLABDHU-UHFFFAOYSA-N 1 0 307.397 3.518 20 10 DHCDRO C[C@@H]1COCCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000772821548 1024792125 /nfs/dbraw/zinc/79/21/25/1024792125.db2.gz BAYIMJTYTUAIFI-CYBMUJFWSA-N 1 0 311.381 3.902 20 10 DHCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000279221503 1024800039 /nfs/dbraw/zinc/80/00/39/1024800039.db2.gz ZBXQWIZENIKDFO-IRXDYDNUSA-N 1 0 304.478 3.879 20 10 DHCDRO CC(C)OCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792890354 1024825173 /nfs/dbraw/zinc/82/51/73/1024825173.db2.gz LZOZJGZZEJWINA-UHFFFAOYSA-N 1 0 318.383 3.676 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000792894581 1024828132 /nfs/dbraw/zinc/82/81/32/1024828132.db2.gz ZPQRQSNVRJEJFI-YWZLYKJASA-N 1 0 312.457 3.651 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793308583 1024980001 /nfs/dbraw/zinc/98/00/01/1024980001.db2.gz HEHWBAGTDQISQT-INIZCTEOSA-N 1 0 301.361 3.707 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1 ZINC000793342262 1024983883 /nfs/dbraw/zinc/98/38/83/1024983883.db2.gz WUAPOYDSAITTEP-IBGZPJMESA-N 1 0 304.478 3.924 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000793520735 1025074074 /nfs/dbraw/zinc/07/40/74/1025074074.db2.gz ILOPQUMKGTWRBS-LBTNJELSSA-N 1 0 320.452 3.718 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793566411 1025104387 /nfs/dbraw/zinc/10/43/87/1025104387.db2.gz FNJGRZAHPMDADP-CQSZACIVSA-N 1 0 308.429 3.522 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000793590303 1025116594 /nfs/dbraw/zinc/11/65/94/1025116594.db2.gz ONEWUCCMVXCKRO-CQSZACIVSA-N 1 0 312.461 3.691 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793607550 1025125207 /nfs/dbraw/zinc/12/52/07/1025125207.db2.gz AMQVVONXLNLKAW-WOJBJXKFSA-N 1 0 314.473 3.820 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000825939863 1033260911 /nfs/dbraw/zinc/26/09/11/1033260911.db2.gz IMHMFEHWWAGGKA-SJKOYZFVSA-N 1 0 305.805 3.566 20 10 DHCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000318995237 1025129125 /nfs/dbraw/zinc/12/91/25/1025129125.db2.gz NMSXKSWJEMIZKW-CABCVRRESA-N 1 0 300.446 3.926 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000793610303 1025129878 /nfs/dbraw/zinc/12/98/78/1025129878.db2.gz STRFTKNFONXLLW-MOPGFXCFSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000279692746 1025161094 /nfs/dbraw/zinc/16/10/94/1025161094.db2.gz QAPXGJXOBUFQPZ-HXUWFJFHSA-N 1 0 311.425 3.796 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(O)c1 ZINC000877168241 1033263414 /nfs/dbraw/zinc/26/34/14/1033263414.db2.gz QFXUWEBMYBMYRW-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO COc1cccc(C[N@H+](C)Cc2ccccc2SC)c1O ZINC000279721342 1025180031 /nfs/dbraw/zinc/18/00/31/1025180031.db2.gz USHUASZVQFXCPE-UHFFFAOYSA-N 1 0 303.427 3.755 20 10 DHCDRO CC1CCC([NH2+]C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001168204337 1025320056 /nfs/dbraw/zinc/32/00/56/1025320056.db2.gz LHYSQBNLQBEWQH-UHFFFAOYSA-N 1 0 302.462 3.525 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000897459165 1025355540 /nfs/dbraw/zinc/35/55/40/1025355540.db2.gz IVFKBJCCCNHULV-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001168242224 1025374376 /nfs/dbraw/zinc/37/43/76/1025374376.db2.gz BWPXKPYFXTTXFS-LJQANCHMSA-N 1 0 319.404 3.811 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(C)(C)C1 ZINC000877306248 1033281023 /nfs/dbraw/zinc/28/10/23/1033281023.db2.gz KPVYUKADHBSTCD-INIZCTEOSA-N 1 0 316.489 3.516 20 10 DHCDRO CC1CCC(C)([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000236780637 1025423418 /nfs/dbraw/zinc/42/34/18/1025423418.db2.gz MJMXDWBWUWQPJO-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1O ZINC000925879739 1025424269 /nfs/dbraw/zinc/42/42/69/1025424269.db2.gz JNNFCXKUHKUSLW-OSMZGAPFSA-N 1 0 316.367 3.579 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC000877334477 1033286949 /nfs/dbraw/zinc/28/69/49/1033286949.db2.gz PVAUQBDDAGQBAA-UHFFFAOYSA-N 1 0 303.789 3.579 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000761202765 1025533045 /nfs/dbraw/zinc/53/30/45/1025533045.db2.gz LKYIXSLAEOOOLN-UHFFFAOYSA-N 1 0 309.818 3.674 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1O ZINC000886344436 1025596932 /nfs/dbraw/zinc/59/69/32/1025596932.db2.gz DYMNWHIWQVFNPX-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000806131168 1025776112 /nfs/dbraw/zinc/77/61/12/1025776112.db2.gz HSBYPKMIHVNJQU-NVXWUHKLSA-N 1 0 320.452 3.577 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000806170046 1025794351 /nfs/dbraw/zinc/79/43/51/1025794351.db2.gz VWVPSGCFPYHGMW-PKOBYXMFSA-N 1 0 318.505 3.982 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000806169300 1025796888 /nfs/dbraw/zinc/79/68/88/1025796888.db2.gz DJMVILRILGIWJA-DLBZAZTESA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806170014 1025798453 /nfs/dbraw/zinc/79/84/53/1025798453.db2.gz VDFIOMOZDOAEDY-NVXWUHKLSA-N 1 0 322.468 3.731 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000691527932 1025807247 /nfs/dbraw/zinc/80/72/47/1025807247.db2.gz VNYUFNPOMPMKNN-GOSISDBHSA-N 1 0 324.468 3.566 20 10 DHCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1C ZINC001203429096 1025823529 /nfs/dbraw/zinc/82/35/29/1025823529.db2.gz WBSJNQQOPILVSD-SFHVURJKSA-N 1 0 305.462 3.815 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168882 1025826966 /nfs/dbraw/zinc/82/69/66/1025826966.db2.gz DPKYSSAAVUPJQG-SUMWQHHRSA-N 1 0 306.425 3.502 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180097 1025831511 /nfs/dbraw/zinc/83/15/11/1025831511.db2.gz JUIZUJDQKULYCO-WMLDXEAASA-N 1 0 319.832 3.862 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180800 1025835831 /nfs/dbraw/zinc/83/58/31/1025835831.db2.gz SSLXFZZQFMAMLC-HIFRSBDPSA-N 1 0 319.832 3.781 20 10 DHCDRO CCC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1ccccc1O ZINC000075829105 1025851092 /nfs/dbraw/zinc/85/10/92/1025851092.db2.gz JLFSEPJEMYTYOE-UHFFFAOYSA-N 1 0 312.413 3.763 20 10 DHCDRO COC1(C[C@H](C)[NH2+]CCCSc2nccs2)CCC1 ZINC000759998279 1025911780 /nfs/dbraw/zinc/91/17/80/1025911780.db2.gz GPXRVQZAJUKWFM-LBPRGKRZSA-N 1 0 300.493 3.563 20 10 DHCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681603 1025927655 /nfs/dbraw/zinc/92/76/55/1025927655.db2.gz FGPGVOKIPPLXKP-MRXNPFEDSA-N 1 0 312.457 3.879 20 10 DHCDRO COc1cccc(C[NH2+]CCCn2ccc3ccccc32)c1O ZINC000237373102 1026012451 /nfs/dbraw/zinc/01/24/51/1026012451.db2.gz NIQCTVYKCBVMNM-UHFFFAOYSA-N 1 0 310.397 3.535 20 10 DHCDRO C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N(C)C1CC1 ZINC000729686099 1026025307 /nfs/dbraw/zinc/02/53/07/1026025307.db2.gz ZDAIYIHOTFWYJO-HNNXBMFYSA-N 1 0 310.441 3.632 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1O ZINC000289639503 1026111247 /nfs/dbraw/zinc/11/12/47/1026111247.db2.gz XKXOXOGOFYYDBN-UHFFFAOYSA-N 1 0 314.404 3.730 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289661766 1026119914 /nfs/dbraw/zinc/11/99/14/1026119914.db2.gz GTXOJQQTTCDOKV-QKYXUNIQSA-N 1 0 311.425 3.517 20 10 DHCDRO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000808190859 1026222063 /nfs/dbraw/zinc/22/20/63/1026222063.db2.gz KHRUJEJBKZXHMG-KXBFYZLASA-N 1 0 310.441 3.604 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2OC(F)F)c1O ZINC000894163381 1026229013 /nfs/dbraw/zinc/22/90/13/1026229013.db2.gz TXAMQNBPOAYYIF-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccs1 ZINC000808221352 1026228993 /nfs/dbraw/zinc/22/89/93/1026228993.db2.gz FPUUIMGNSAXNAJ-MRXNPFEDSA-N 1 0 317.410 3.766 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2cccc3cccnc32)c1O ZINC000894166986 1026265194 /nfs/dbraw/zinc/26/51/94/1026265194.db2.gz NPSXIHPUBNZMPK-UHFFFAOYSA-N 1 0 322.408 3.590 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C ZINC000808437273 1026285973 /nfs/dbraw/zinc/28/59/73/1026285973.db2.gz KMPWSZVNVYIUPR-PXNSSMCTSA-N 1 0 324.468 3.762 20 10 DHCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808443086 1026286956 /nfs/dbraw/zinc/28/69/56/1026286956.db2.gz AILQHXKTNPQAKY-JDNHERCYSA-N 1 0 307.752 3.797 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000808674163 1026352942 /nfs/dbraw/zinc/35/29/42/1026352942.db2.gz OCBGGEGGHJCLQH-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000808677014 1026355007 /nfs/dbraw/zinc/35/50/07/1026355007.db2.gz OJTQJXRNPUXSGM-MAZHCROVSA-N 1 0 308.853 3.631 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](O)c1ccccc1 ZINC000808719404 1026364224 /nfs/dbraw/zinc/36/42/24/1026364224.db2.gz FIROLZHLGPIFDD-FEJNDBLASA-N 1 0 315.388 3.791 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn3ccccc23)c1O ZINC000808718064 1026365321 /nfs/dbraw/zinc/36/53/21/1026365321.db2.gz KNQDLYYAWRVONO-LBPRGKRZSA-N 1 0 315.804 3.853 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCNc2ccccn2)c1O ZINC000808698958 1026374945 /nfs/dbraw/zinc/37/49/45/1026374945.db2.gz NXCHRPIMKOUMMA-LBPRGKRZSA-N 1 0 305.809 3.512 20 10 DHCDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894212234 1026443322 /nfs/dbraw/zinc/44/33/22/1026443322.db2.gz XJUCPAWQBPRLIV-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccc(C)cc1O ZINC000279975856 1026478974 /nfs/dbraw/zinc/47/89/74/1026478974.db2.gz DHVZIZOBYQFQJC-ZXHZAXBBSA-N 1 0 323.502 3.821 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809689612 1026594755 /nfs/dbraw/zinc/59/47/55/1026594755.db2.gz RXTGGFHBMHRINS-QGZVFWFLSA-N 1 0 319.832 3.740 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809728698 1026595791 /nfs/dbraw/zinc/59/57/91/1026595791.db2.gz FSHGDEAMAVRVGU-OAHLLOKOSA-N 1 0 318.804 3.786 20 10 DHCDRO CCc1cccc(Cl)c1C[NH2+]Cc1cccc(OC)c1O ZINC000809739717 1026611371 /nfs/dbraw/zinc/61/13/71/1026611371.db2.gz BWYRDWIFRNLAPP-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C)cc1O ZINC000280291844 1026626662 /nfs/dbraw/zinc/62/66/62/1026626662.db2.gz ZGOKZMRMVNHTGS-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1F ZINC000809788324 1026627999 /nfs/dbraw/zinc/62/79/99/1026627999.db2.gz QOQGAIWEUCXKSM-UHFFFAOYSA-N 1 0 315.436 3.590 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000809792216 1026629781 /nfs/dbraw/zinc/62/97/81/1026629781.db2.gz MNCVTYLCXYYKKT-UHFFFAOYSA-N 1 0 307.777 3.596 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(C)cc1O ZINC000280302089 1026633081 /nfs/dbraw/zinc/63/30/81/1026633081.db2.gz ZYSKRRFFSZYABX-AEFFLSMTSA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218476 1026709258 /nfs/dbraw/zinc/70/92/58/1026709258.db2.gz UMCLMPHHYORMEE-DZGCQCFKSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810217224 1026709493 /nfs/dbraw/zinc/70/94/93/1026709493.db2.gz YXXVRNXMWGYTQL-JSGCOSHPSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810218077 1026709573 /nfs/dbraw/zinc/70/95/73/1026709573.db2.gz OLPJVOGDLDJRTC-RIEGTJTDSA-N 1 0 319.367 3.859 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223054 1026711954 /nfs/dbraw/zinc/71/19/54/1026711954.db2.gz HCZFDSJIDVBGOL-GWCFXTLKSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227874 1026713344 /nfs/dbraw/zinc/71/33/44/1026713344.db2.gz LXHZLKRJQZQDFU-UONOGXRCSA-N 1 0 317.351 3.877 20 10 DHCDRO CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810228160 1026713764 /nfs/dbraw/zinc/71/37/64/1026713764.db2.gz COXLTDUHAHRKPC-FZMZJTMJSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@H]([NH2+]CCN1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810207825 1026717427 /nfs/dbraw/zinc/71/74/27/1026717427.db2.gz PGTICFOMKHNVKP-AWEZNQCLSA-N 1 0 316.367 3.548 20 10 DHCDRO COc1cccc(C2(C[NH2+][C@@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000810239956 1026726258 /nfs/dbraw/zinc/72/62/58/1026726258.db2.gz KWFIFJDGTYSVMP-ZDUSSCGKSA-N 1 0 315.388 3.922 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000811513522 1027028803 /nfs/dbraw/zinc/02/88/03/1027028803.db2.gz JVEGUEIANKNWOH-INIZCTEOSA-N 1 0 307.821 3.819 20 10 DHCDRO COC[C@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295195790 1027140438 /nfs/dbraw/zinc/14/04/38/1027140438.db2.gz XXRQWDQBKCXVNU-LJQANCHMSA-N 1 0 302.462 3.535 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2Cl)cc1OC ZINC000271794210 1027146450 /nfs/dbraw/zinc/14/64/50/1027146450.db2.gz HQAYDPBYTVWIEP-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCC12CCOCC2 ZINC000362335518 1027153712 /nfs/dbraw/zinc/15/37/12/1027153712.db2.gz LQFJTKYCPVUPQB-UHFFFAOYSA-N 1 0 314.473 3.822 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000931554148 1027168215 /nfs/dbraw/zinc/16/82/15/1027168215.db2.gz LVEIJDHLYBQQKQ-UHIISALHSA-N 1 0 303.324 3.543 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000931554144 1027169206 /nfs/dbraw/zinc/16/92/06/1027169206.db2.gz LVEIJDHLYBQQKQ-SUNKGSAMSA-N 1 0 303.324 3.543 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000295308704 1027192468 /nfs/dbraw/zinc/19/24/68/1027192468.db2.gz KSPFWZIYOMCYMZ-UHFFFAOYSA-N 1 0 313.420 3.608 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C(C)C)[C@H]3CCOC3)c2c1 ZINC000812290675 1027235622 /nfs/dbraw/zinc/23/56/22/1027235622.db2.gz FOMVPJDSQOGDDF-HNNXBMFYSA-N 1 0 315.413 3.553 20 10 DHCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158134342 1027437508 /nfs/dbraw/zinc/43/75/08/1027437508.db2.gz FANUKXQITPFOPJ-GFCCVEGCSA-N 1 0 305.805 3.862 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(CCC3)C2)c(OC)c1 ZINC001138389670 1027478820 /nfs/dbraw/zinc/47/88/20/1027478820.db2.gz JYHJSTSTVNYXDW-UHFFFAOYSA-N 1 0 302.462 3.917 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000296256950 1027588867 /nfs/dbraw/zinc/58/88/67/1027588867.db2.gz GBFMUTGUNLBYFS-UHFFFAOYSA-N 1 0 324.468 3.934 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)CC2 ZINC000296294639 1027600383 /nfs/dbraw/zinc/60/03/83/1027600383.db2.gz DGUVBNKTFJHZCY-GFCCVEGCSA-N 1 0 311.278 3.726 20 10 DHCDRO COc1ccc([C@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331862 1027609470 /nfs/dbraw/zinc/60/94/70/1027609470.db2.gz WWSILFQCTWLVBN-ZIAGYGMSSA-N 1 0 315.413 3.864 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706699 1027642927 /nfs/dbraw/zinc/64/29/27/1027642927.db2.gz KOOXSSGCSYORCT-HNNXBMFYSA-N 1 0 303.352 3.660 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(CC)CCOCC2)cc1F ZINC000813791216 1027714146 /nfs/dbraw/zinc/71/41/46/1027714146.db2.gz YMCMKKKZOZJSPM-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000778995791 1027733186 /nfs/dbraw/zinc/73/31/86/1027733186.db2.gz IXDAXUNEDUKIJE-UHFFFAOYSA-N 1 0 314.404 3.762 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000813861351 1027734239 /nfs/dbraw/zinc/73/42/39/1027734239.db2.gz RGUYQCZOWXDZHE-PBFPGSCMSA-N 1 0 324.415 3.891 20 10 DHCDRO CC[N@H+](Cc1cc(F)ccc1O)Cc1ccc(OC)cc1OC ZINC000778996233 1027746225 /nfs/dbraw/zinc/74/62/25/1027746225.db2.gz KFIJHOOVENUHJW-UHFFFAOYSA-N 1 0 319.376 3.571 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)CCCCO)c(C)n1-c1ccccc1 ZINC000779002244 1027752976 /nfs/dbraw/zinc/75/29/76/1027752976.db2.gz KWXHQFKPVFEBHH-INIZCTEOSA-N 1 0 314.473 3.777 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)CC2 ZINC000297083235 1027794234 /nfs/dbraw/zinc/79/42/34/1027794234.db2.gz WXKFBUFGHZTVJK-OAHLLOKOSA-N 1 0 319.351 3.813 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1O ZINC000364380890 1027818557 /nfs/dbraw/zinc/81/85/57/1027818557.db2.gz SLLXFDDIRKBGDH-RDJZCZTQSA-N 1 0 313.445 3.768 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000779018568 1027836836 /nfs/dbraw/zinc/83/68/36/1027836836.db2.gz BBTZBCUBEQWOBU-QGZVFWFLSA-N 1 0 303.402 3.821 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000779020634 1027854294 /nfs/dbraw/zinc/85/42/94/1027854294.db2.gz NSKLWRNNSLNVSV-CQSZACIVSA-N 1 0 303.352 3.735 20 10 DHCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000365001410 1027897052 /nfs/dbraw/zinc/89/70/52/1027897052.db2.gz MZFVLFULSBVBON-MRXNPFEDSA-N 1 0 300.377 3.826 20 10 DHCDRO Cc1cccc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C(C)C)c1 ZINC000527814177 1027899338 /nfs/dbraw/zinc/89/93/38/1027899338.db2.gz PMYWRWRNNUFPBM-IBGZPJMESA-N 1 0 313.397 3.916 20 10 DHCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCC2 ZINC000814171302 1027906038 /nfs/dbraw/zinc/90/60/38/1027906038.db2.gz NYUHJEVGHXHIOB-LJQANCHMSA-N 1 0 314.473 3.534 20 10 DHCDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(Br)cc3O)C[C@@H]21 ZINC001170729840 1027909271 /nfs/dbraw/zinc/90/92/71/1027909271.db2.gz HDTRHULIRVYTEF-XYYAHUGASA-N 1 0 310.235 3.679 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000814169922 1027925322 /nfs/dbraw/zinc/92/53/22/1027925322.db2.gz ONDQNUDIIUQPIT-INIZCTEOSA-N 1 0 311.853 3.631 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527947018 1027977987 /nfs/dbraw/zinc/97/79/87/1027977987.db2.gz JMEXIWPABBEMSC-SJLPKXTDSA-N 1 0 302.462 3.840 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528000666 1028024700 /nfs/dbraw/zinc/02/47/00/1028024700.db2.gz KLGUUWDOGLADAT-NVXWUHKLSA-N 1 0 306.425 3.589 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)CO2 ZINC000527985128 1028046977 /nfs/dbraw/zinc/04/69/77/1028046977.db2.gz YTGGCYVKYSCJGV-MOMVYJMYSA-N 1 0 323.436 3.835 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCC2CCOCC2)C2CC2)cc1 ZINC000814618863 1028125839 /nfs/dbraw/zinc/12/58/39/1028125839.db2.gz ISQGGWKOXBUZIZ-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)c1O ZINC000367958429 1028266126 /nfs/dbraw/zinc/26/61/26/1028266126.db2.gz QYWZZCNUKLBLCQ-APPDUMDISA-N 1 0 317.360 3.542 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCCC2)cc1 ZINC000368001186 1028271902 /nfs/dbraw/zinc/27/19/02/1028271902.db2.gz XGHOLQJLLIIMRL-NVXWUHKLSA-N 1 0 324.472 3.608 20 10 DHCDRO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1N(C)C ZINC000815055883 1028334775 /nfs/dbraw/zinc/33/47/75/1028334775.db2.gz RIILGWNOTBWJNZ-MOPGFXCFSA-N 1 0 315.505 3.508 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000368368539 1028344429 /nfs/dbraw/zinc/34/44/29/1028344429.db2.gz CMLQFQQIAYSCCW-ACJLOTCBSA-N 1 0 316.470 3.606 20 10 DHCDRO Cc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)ccc1N(C)C ZINC000815061377 1028347452 /nfs/dbraw/zinc/34/74/52/1028347452.db2.gz SHYYUVUFOVXEIE-UHFFFAOYSA-N 1 0 305.853 3.685 20 10 DHCDRO Cc1cc(C[N@@H+](CCc2nccs2)C(C)C)ccc1N(C)C ZINC000815076244 1028352484 /nfs/dbraw/zinc/35/24/84/1028352484.db2.gz NUQJPPUSQNLYFX-UHFFFAOYSA-N 1 0 317.502 3.971 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1N(C)C ZINC000815089583 1028359202 /nfs/dbraw/zinc/35/92/02/1028359202.db2.gz DSGUMLZSHLLYOE-LJQANCHMSA-N 1 0 309.457 3.521 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000815102773 1028379240 /nfs/dbraw/zinc/37/92/40/1028379240.db2.gz LDTMEGJJCABHKE-CQSZACIVSA-N 1 0 300.368 3.835 20 10 DHCDRO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1N(C)C ZINC000815108800 1028381552 /nfs/dbraw/zinc/38/15/52/1028381552.db2.gz ODSZWXMTTRXXQS-GXTWGEPZSA-N 1 0 300.368 3.834 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000368815696 1028411317 /nfs/dbraw/zinc/41/13/17/1028411317.db2.gz GEDJBJRUEKEWKL-OAQYLSRUSA-N 1 0 319.404 3.985 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ccccc2F)c(O)c1 ZINC000815554246 1028539750 /nfs/dbraw/zinc/53/97/50/1028539750.db2.gz VTXYELGFJRBUIY-AWEZNQCLSA-N 1 0 303.377 3.878 20 10 DHCDRO C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555174 1028541458 /nfs/dbraw/zinc/54/14/58/1028541458.db2.gz RMMOLJJHXLECPW-GFCCVEGCSA-N 1 0 316.367 3.548 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878253 1028541669 /nfs/dbraw/zinc/54/16/69/1028541669.db2.gz OWVHLWKADCBOTI-IEBWSBKVSA-N 1 0 315.388 3.576 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c(O)c1 ZINC000815557771 1028542003 /nfs/dbraw/zinc/54/20/03/1028542003.db2.gz DDBKHWXFTIGHJO-IAGOWNOFSA-N 1 0 304.478 3.780 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000369928993 1028547416 /nfs/dbraw/zinc/54/74/16/1028547416.db2.gz GFCAPGQSFIOAQB-NVXWUHKLSA-N 1 0 303.427 3.978 20 10 DHCDRO C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N(C)C ZINC000815575987 1028551013 /nfs/dbraw/zinc/55/10/13/1028551013.db2.gz GOROEXUHQOCWJT-APWZRJJASA-N 1 0 312.457 3.606 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c(O)c1 ZINC000815592612 1028559600 /nfs/dbraw/zinc/55/96/00/1028559600.db2.gz NFVRXQRYHCUOPC-BEFAXECRSA-N 1 0 311.425 3.974 20 10 DHCDRO COc1ccncc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000815628511 1028576276 /nfs/dbraw/zinc/57/62/76/1028576276.db2.gz CFHWBPITOIMMSF-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO COCC1(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000815642347 1028588653 /nfs/dbraw/zinc/58/86/53/1028588653.db2.gz ZMQXVBPPNGWBME-OCCSQVGLSA-N 1 0 307.409 3.876 20 10 DHCDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)c2ccccc21 ZINC000370374502 1028595635 /nfs/dbraw/zinc/59/56/35/1028595635.db2.gz ODFABDUWNNKRBK-KSSFIOAISA-N 1 0 324.424 3.849 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000815651484 1028596175 /nfs/dbraw/zinc/59/61/75/1028596175.db2.gz UVGPQVURASQCJO-UKRRQHHQSA-N 1 0 317.351 3.877 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1C ZINC000371174969 1028675232 /nfs/dbraw/zinc/67/52/32/1028675232.db2.gz XZBDJSMZDIXWBE-UHFFFAOYSA-N 1 0 321.424 3.699 20 10 DHCDRO CCCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)c(O)c1 ZINC000371333394 1028693049 /nfs/dbraw/zinc/69/30/49/1028693049.db2.gz DHZORWHZDWRKTI-UHFFFAOYSA-N 1 0 319.445 3.572 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)C[C@H]2C)c1O ZINC000372405580 1028851134 /nfs/dbraw/zinc/85/11/34/1028851134.db2.gz WMYDBIAFEUPKJA-DOMZBBRYSA-N 1 0 303.427 3.840 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372595210 1028872587 /nfs/dbraw/zinc/87/25/87/1028872587.db2.gz OVLKJTMUCCPYMP-PKOBYXMFSA-N 1 0 313.397 3.622 20 10 DHCDRO Oc1c(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc2ccccc21 ZINC000816495257 1028896575 /nfs/dbraw/zinc/89/65/75/1028896575.db2.gz PZNZMATUJTYEBW-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO CCc1nocc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000816508659 1028911526 /nfs/dbraw/zinc/91/15/26/1028911526.db2.gz RAGHKQGWNDYRTA-UHFFFAOYSA-N 1 0 300.402 3.887 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1F ZINC000816531663 1028923162 /nfs/dbraw/zinc/92/31/62/1028923162.db2.gz ZGZNWGURCJEAFE-UHFFFAOYSA-N 1 0 311.356 3.983 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1OC ZINC000816535952 1028923457 /nfs/dbraw/zinc/92/34/57/1028923457.db2.gz HHHDTQBEQFQODR-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO Oc1c(C[NH2+]CCN2CCc3ccccc32)ccc2ccccc21 ZINC000816541391 1028926677 /nfs/dbraw/zinc/92/66/77/1028926677.db2.gz LMKDULPLFHSHKQ-UHFFFAOYSA-N 1 0 318.420 3.698 20 10 DHCDRO Oc1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816586143 1028934756 /nfs/dbraw/zinc/93/47/56/1028934756.db2.gz BARKJWKBFVTLIW-IBGZPJMESA-N 1 0 311.425 3.936 20 10 DHCDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816554010 1028943070 /nfs/dbraw/zinc/94/30/70/1028943070.db2.gz MLJIUQQGCKWGCK-UHFFFAOYSA-N 1 0 322.364 3.786 20 10 DHCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816616335 1028963194 /nfs/dbraw/zinc/96/31/94/1028963194.db2.gz ULZPJTCXZVGWOZ-OAHLLOKOSA-N 1 0 300.446 3.755 20 10 DHCDRO Oc1c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617100 1028964688 /nfs/dbraw/zinc/96/46/88/1028964688.db2.gz OYDIBAGKLHTCCZ-SFHVURJKSA-N 1 0 311.425 3.794 20 10 DHCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816616334 1028965195 /nfs/dbraw/zinc/96/51/95/1028965195.db2.gz ULZPJTCXZVGWOZ-HNNXBMFYSA-N 1 0 300.446 3.755 20 10 DHCDRO C[C@@H](F)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000816643881 1028971287 /nfs/dbraw/zinc/97/12/87/1028971287.db2.gz UFNYXPAJVNHYLE-CQSZACIVSA-N 1 0 303.377 3.809 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(O)c1C ZINC000373521058 1029069717 /nfs/dbraw/zinc/06/97/17/1029069717.db2.gz JPTQWMQFGDSMOH-GTPINHCMSA-N 1 0 302.462 3.677 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000817409517 1029149399 /nfs/dbraw/zinc/14/93/99/1029149399.db2.gz DCXCXOCDMSSTPH-OLZOCXBDSA-N 1 0 307.459 3.585 20 10 DHCDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817413275 1029152851 /nfs/dbraw/zinc/15/28/51/1029152851.db2.gz VNFLLCQQTPOTMC-HOTGVXAUSA-N 1 0 311.425 3.510 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000155347815 1029226893 /nfs/dbraw/zinc/22/68/93/1029226893.db2.gz FHTPJCWEBLCENN-HOTGVXAUSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817939104 1029282801 /nfs/dbraw/zinc/28/28/01/1029282801.db2.gz ZAVYWEXIJCDQDU-ACJLOTCBSA-N 1 0 317.864 3.757 20 10 DHCDRO CCC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817941170 1029284702 /nfs/dbraw/zinc/28/47/02/1029284702.db2.gz JGUMAPNTGRGUMD-ROUUACIJSA-N 1 0 317.502 3.945 20 10 DHCDRO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000817955342 1029293809 /nfs/dbraw/zinc/29/38/09/1029293809.db2.gz VXCGXSISBKEOHC-LIRRHRJNSA-N 1 0 310.441 3.622 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000817953998 1029294770 /nfs/dbraw/zinc/29/47/70/1029294770.db2.gz USRBVYJEHFEPQD-UHFFFAOYSA-N 1 0 310.441 3.849 20 10 DHCDRO CCC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955968 1029298146 /nfs/dbraw/zinc/29/81/46/1029298146.db2.gz MIOQETOHPONOCY-GOSISDBHSA-N 1 0 313.401 3.851 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)cc1 ZINC000817956330 1029298692 /nfs/dbraw/zinc/29/86/92/1029298692.db2.gz WPHDSCATZNFMIH-GFCCVEGCSA-N 1 0 319.246 3.925 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961451 1029301895 /nfs/dbraw/zinc/30/18/95/1029301895.db2.gz YXUKQJCZFWAXTB-CWSCBRNRSA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817960632 1029302694 /nfs/dbraw/zinc/30/26/94/1029302694.db2.gz OLSAWBJGEGWEMR-MJVIPROJSA-N 1 0 316.367 3.579 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817962149 1029302754 /nfs/dbraw/zinc/30/27/54/1029302754.db2.gz GMNHXLOFOOBYAY-SJCJKPOMSA-N 1 0 302.393 3.792 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817967659 1029307959 /nfs/dbraw/zinc/30/79/59/1029307959.db2.gz AEFNJNSHLBWKRD-FZMZJTMJSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817967657 1029308868 /nfs/dbraw/zinc/30/88/68/1029308868.db2.gz AEFNJNSHLBWKRD-BXUZGUMPSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972317 1029312120 /nfs/dbraw/zinc/31/21/20/1029312120.db2.gz WBAAPGBMVPMASJ-JIMOISOXSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817974154 1029314113 /nfs/dbraw/zinc/31/41/13/1029314113.db2.gz ZPHFEBWJRCGNFJ-IAGOWNOFSA-N 1 0 303.494 3.716 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985281 1029323498 /nfs/dbraw/zinc/32/34/98/1029323498.db2.gz IWPRUZDGNWUJJL-DOMZBBRYSA-N 1 0 308.853 3.761 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231493 1029360266 /nfs/dbraw/zinc/36/02/66/1029360266.db2.gz XLBMUAQSVUWFOL-WMZOPIPTSA-N 1 0 301.361 3.518 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000818342177 1029374722 /nfs/dbraw/zinc/37/47/22/1029374722.db2.gz MWBQBYOLMLPAKV-VQIMIIECSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000818343232 1029375243 /nfs/dbraw/zinc/37/52/43/1029375243.db2.gz ZXNULKXLNFKRST-JKSUJKDBSA-N 1 0 302.462 3.690 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000818356441 1029384139 /nfs/dbraw/zinc/38/41/39/1029384139.db2.gz JGUIZDGZWMNHBZ-CYBMUJFWSA-N 1 0 307.434 3.801 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000156381420 1029445236 /nfs/dbraw/zinc/44/52/36/1029445236.db2.gz KRVXVEUSBBLGHL-QFBILLFUSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953285 1029445755 /nfs/dbraw/zinc/44/57/55/1029445755.db2.gz FPWCOEZACOWJGV-LAUBAEHRSA-N 1 0 324.468 3.541 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865726688 1029991601 /nfs/dbraw/zinc/99/16/01/1029991601.db2.gz REYAHGYSVJTEGF-INIZCTEOSA-N 1 0 309.837 3.875 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000290354897 1030012475 /nfs/dbraw/zinc/01/24/75/1030012475.db2.gz QKBZXDOSYZHSCV-NVGCLXPQSA-N 1 0 305.805 3.818 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000865761451 1030012975 /nfs/dbraw/zinc/01/29/75/1030012975.db2.gz NNNOMOHLXKKIBS-ICSRJNTNSA-N 1 0 314.473 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865777606 1030019590 /nfs/dbraw/zinc/01/95/90/1030019590.db2.gz JRVSWWLTKAOTOD-ZDUSSCGKSA-N 1 0 309.837 3.650 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781681 1030021483 /nfs/dbraw/zinc/02/14/83/1030021483.db2.gz FTCSHESPGPADKJ-WCQYABFASA-N 1 0 315.335 3.635 20 10 DHCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000822455164 1030030651 /nfs/dbraw/zinc/03/06/51/1030030651.db2.gz ALCUPKGASAJHGM-ZWKOTPCHSA-N 1 0 304.503 3.907 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000822476584 1030039483 /nfs/dbraw/zinc/03/94/83/1030039483.db2.gz PUMPKJKZUBEBNV-AYMGRPCJSA-N 1 0 302.462 3.565 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000822869999 1030154149 /nfs/dbraw/zinc/15/41/49/1030154149.db2.gz PGHBZQQHEBDIDO-WCQYABFASA-N 1 0 301.261 3.987 20 10 DHCDRO C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](c2ccsc2)O1 ZINC000245942390 1030209110 /nfs/dbraw/zinc/20/91/10/1030209110.db2.gz KAVPSZNBLCOJHS-ZBEGNZNMSA-N 1 0 307.390 3.555 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C2CCC2)c1 ZINC000924872035 1030214349 /nfs/dbraw/zinc/21/43/49/1030214349.db2.gz QELUAJAVXOPYEI-HNNXBMFYSA-N 1 0 324.472 3.841 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn(C)cn1 ZINC000925011020 1030246247 /nfs/dbraw/zinc/24/62/47/1030246247.db2.gz JNIWJJCWQIJDFC-INIZCTEOSA-N 1 0 312.461 3.507 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000823737546 1030376086 /nfs/dbraw/zinc/37/60/86/1030376086.db2.gz ZATDAIZUUOXCQJ-IEBWSBKVSA-N 1 0 302.462 3.724 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000823737550 1030376833 /nfs/dbraw/zinc/37/68/33/1030376833.db2.gz ZATDAIZUUOXCQJ-PKOBYXMFSA-N 1 0 302.462 3.724 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1C ZINC000866565795 1030378695 /nfs/dbraw/zinc/37/86/95/1030378695.db2.gz RATRQVYIVPXJNP-NSHDSACASA-N 1 0 309.360 3.531 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)cc1 ZINC000823757207 1030390722 /nfs/dbraw/zinc/39/07/22/1030390722.db2.gz JBRKWTMLKBPKKN-IBGZPJMESA-N 1 0 314.473 3.976 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000777565890 1030404023 /nfs/dbraw/zinc/40/40/23/1030404023.db2.gz HXWYZEAMKWUJAT-OAHLLOKOSA-N 1 0 321.428 3.897 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)c1O ZINC000866621795 1030409177 /nfs/dbraw/zinc/40/91/77/1030409177.db2.gz KCZSTVZAJIGKEF-RYUDHWBXSA-N 1 0 312.369 3.954 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634945 1030416395 /nfs/dbraw/zinc/41/63/95/1030416395.db2.gz WDALFBQHPBMXFT-KBPBESRZSA-N 1 0 305.809 3.818 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(O)c1 ZINC000866641844 1030417876 /nfs/dbraw/zinc/41/78/76/1030417876.db2.gz WTHXKHOSIKGQHW-ZDUSSCGKSA-N 1 0 312.413 3.531 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2coc3ccccc23)c1 ZINC000823872032 1030418841 /nfs/dbraw/zinc/41/88/41/1030418841.db2.gz VRLAEFWFFJXUDT-ZDUSSCGKSA-N 1 0 311.381 3.868 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000823955113 1030431767 /nfs/dbraw/zinc/43/17/67/1030431767.db2.gz HNOHZHIAWQSINL-OAHLLOKOSA-N 1 0 318.511 3.980 20 10 DHCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000897521471 1030459653 /nfs/dbraw/zinc/45/96/53/1030459653.db2.gz GUKMSAHGVAIOOH-OAHLLOKOSA-N 1 0 319.367 3.582 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925785747 1030498397 /nfs/dbraw/zinc/49/83/97/1030498397.db2.gz OSVVZGOQDLSMSD-BFVZDQMLSA-N 1 0 317.260 3.595 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824469105 1030566340 /nfs/dbraw/zinc/56/63/40/1030566340.db2.gz WTARXCNHQRTNTH-MRXNPFEDSA-N 1 0 307.315 3.977 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000824468118 1030566999 /nfs/dbraw/zinc/56/69/99/1030566999.db2.gz CGFWPFKJCKCUDB-INIZCTEOSA-N 1 0 319.351 3.846 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)ccc1O ZINC000824548470 1030588349 /nfs/dbraw/zinc/58/83/49/1030588349.db2.gz NGTRQWWDELKPSK-UHFFFAOYSA-N 1 0 321.804 3.700 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000291666300 1030590113 /nfs/dbraw/zinc/59/01/13/1030590113.db2.gz FUIOSJMZKGGJHX-SJKOYZFVSA-N 1 0 303.427 3.554 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)cc1O ZINC000824611314 1030594978 /nfs/dbraw/zinc/59/49/78/1030594978.db2.gz ZLJYMXDRCHDLGM-UHFFFAOYSA-N 1 0 321.804 3.700 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](CO)c1ccccc1 ZINC000824696443 1030613719 /nfs/dbraw/zinc/61/37/19/1030613719.db2.gz MYOOKFNMXVFZDI-OAQYLSRUSA-N 1 0 324.468 3.842 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000824690805 1030614734 /nfs/dbraw/zinc/61/47/34/1030614734.db2.gz MKPYHQXUIHHHRP-INIZCTEOSA-N 1 0 305.805 3.519 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000824820224 1030648789 /nfs/dbraw/zinc/64/87/89/1030648789.db2.gz BOAQQXITCNQUDV-LJQANCHMSA-N 1 0 316.489 3.924 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291801663 1030650270 /nfs/dbraw/zinc/65/02/70/1030650270.db2.gz XGGQJPMQQPLLLI-UHFFFAOYSA-N 1 0 300.358 3.634 20 10 DHCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824843513 1030661894 /nfs/dbraw/zinc/66/18/94/1030661894.db2.gz PKAACWRDQFBCEA-SNVBAGLBSA-N 1 0 318.280 3.728 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cc(C)ccc2F)c1 ZINC000824978556 1030691134 /nfs/dbraw/zinc/69/11/34/1030691134.db2.gz WWPNGYAQRTVXEK-CYBMUJFWSA-N 1 0 303.377 3.742 20 10 DHCDRO COCc1ccccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825085335 1030720450 /nfs/dbraw/zinc/72/04/50/1030720450.db2.gz WZLONEFMPKUBJP-UHFFFAOYSA-N 1 0 305.805 3.790 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1Cl ZINC000825077847 1030722090 /nfs/dbraw/zinc/72/20/90/1030722090.db2.gz JZZPTAZPYRLXKV-CQSZACIVSA-N 1 0 318.804 3.622 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1O ZINC000825090542 1030725293 /nfs/dbraw/zinc/72/52/93/1030725293.db2.gz BMILHDIEHFTBAU-IDHHARJASA-N 1 0 312.413 3.748 20 10 DHCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825090703 1030725418 /nfs/dbraw/zinc/72/54/18/1030725418.db2.gz DZIYDRXWEHKQAP-IBGZPJMESA-N 1 0 316.489 3.660 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000825144752 1030736065 /nfs/dbraw/zinc/73/60/65/1030736065.db2.gz QJYVUGQKVNYPTA-UHFFFAOYSA-N 1 0 304.821 3.704 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000292008395 1030756810 /nfs/dbraw/zinc/75/68/10/1030756810.db2.gz YKEKKGIVMAPJMX-GFCCVEGCSA-N 1 0 314.429 3.981 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1Cl ZINC000825254573 1030760992 /nfs/dbraw/zinc/76/09/92/1030760992.db2.gz RVJHNINUEOGIQZ-GFCCVEGCSA-N 1 0 307.825 3.982 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000825279863 1030764620 /nfs/dbraw/zinc/76/46/20/1030764620.db2.gz ZAJMCTXTESMTOL-CXAGYDPISA-N 1 0 319.832 3.608 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)cc1OC ZINC000825337146 1030781719 /nfs/dbraw/zinc/78/17/19/1030781719.db2.gz CVRNWDDFONRHGT-GOSISDBHSA-N 1 0 319.445 3.810 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2nc(C3CC3)cs2)cc1Cl ZINC000825365714 1030790085 /nfs/dbraw/zinc/79/00/85/1030790085.db2.gz LMYSDGDUWMWEDQ-UHFFFAOYSA-N 1 0 308.834 3.978 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)cc1Cl ZINC000825394581 1030799128 /nfs/dbraw/zinc/79/91/28/1030799128.db2.gz CAUAZXDUAWLJLJ-FZKQIMNGSA-N 1 0 319.832 3.956 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926904983 1030981696 /nfs/dbraw/zinc/98/16/96/1030981696.db2.gz KNULWSYKBVCNCD-PXWWUCIGSA-N 1 0 321.314 3.682 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926917247 1030990014 /nfs/dbraw/zinc/99/00/14/1030990014.db2.gz SZZGXJYQIVALIJ-CHIMOYNISA-N 1 0 321.314 3.682 20 10 DHCDRO CCCc1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000844218911 1030997521 /nfs/dbraw/zinc/99/75/21/1030997521.db2.gz FCMHXFKJPZPKRO-UHFFFAOYSA-N 1 0 301.459 3.507 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cnc3ccccc3c2)c1O ZINC000926923994 1030999678 /nfs/dbraw/zinc/99/96/78/1030999678.db2.gz UQMLNVDUWHMQLN-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)c1O ZINC000927038002 1031045637 /nfs/dbraw/zinc/04/56/37/1031045637.db2.gz OTCSJJAFDKZYEL-OLZOCXBDSA-N 1 0 307.459 3.870 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000927067699 1031068199 /nfs/dbraw/zinc/06/81/99/1031068199.db2.gz CYJXPXBTEFCRLO-PPHDSNJXSA-N 1 0 309.837 3.901 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000927069808 1031070976 /nfs/dbraw/zinc/07/09/76/1031070976.db2.gz NEPACDTWBWZSPP-AYBZRNKSSA-N 1 0 303.446 3.947 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927072677 1031074521 /nfs/dbraw/zinc/07/45/21/1031074521.db2.gz YOFUZKJMRSYKDZ-DNVCBOLYSA-N 1 0 314.477 3.924 20 10 DHCDRO C[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237466794 1031103982 /nfs/dbraw/zinc/10/39/82/1031103982.db2.gz OYPNIHMGSAISRL-GOSISDBHSA-N 1 0 324.468 3.807 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c(C)c1OC ZINC000927124011 1031106530 /nfs/dbraw/zinc/10/65/30/1031106530.db2.gz GPVOBDCVLNWPIF-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(Cl)ccc1O ZINC000927138661 1031115315 /nfs/dbraw/zinc/11/53/15/1031115315.db2.gz GAYRVELMYAPQEK-PDSMFRHLSA-N 1 0 317.816 3.745 20 10 DHCDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000844718288 1031304832 /nfs/dbraw/zinc/30/48/32/1031304832.db2.gz GEBUMAIMEWFZEX-INIZCTEOSA-N 1 0 321.461 3.785 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123863926 1031379442 /nfs/dbraw/zinc/37/94/42/1031379442.db2.gz VFEUBIDLPOHTIJ-OXJNMPFZSA-N 1 0 311.473 3.706 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(O)c1F ZINC000872030134 1031415109 /nfs/dbraw/zinc/41/51/09/1031415109.db2.gz ZOVSOVFPDBMFLQ-ZDUSSCGKSA-N 1 0 314.404 3.765 20 10 DHCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872038256 1031422358 /nfs/dbraw/zinc/42/23/58/1031422358.db2.gz MBSANKIAOZHRAX-OLZOCXBDSA-N 1 0 314.520 3.809 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)CC ZINC000872088047 1031483291 /nfs/dbraw/zinc/48/32/91/1031483291.db2.gz KVUVKLSPOKSJGD-IBGZPJMESA-N 1 0 318.505 3.952 20 10 DHCDRO Cc1nc(CN(C)Cc2ccc(N3CCCC3)cc2)sc1C ZINC001144369698 1031507485 /nfs/dbraw/zinc/50/74/85/1031507485.db2.gz YIKDZIVQHZURFC-UHFFFAOYSA-N 1 0 315.486 3.992 20 10 DHCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2C)cc1OC ZINC000293588894 1031529998 /nfs/dbraw/zinc/52/99/98/1031529998.db2.gz IHHVAQHJBLPZBF-UHFFFAOYSA-N 1 0 315.413 3.743 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c(O)c1 ZINC000872261068 1031564026 /nfs/dbraw/zinc/56/40/26/1031564026.db2.gz ZBGDYXWLZOXSBF-KRWDZBQOSA-N 1 0 319.445 3.715 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000124081555 1031608295 /nfs/dbraw/zinc/60/82/95/1031608295.db2.gz AAMIHQZNPJYENG-YOEHRIQHSA-N 1 0 317.502 3.768 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293801306 1031631143 /nfs/dbraw/zinc/63/11/43/1031631143.db2.gz RDYNLMWKBOVOSL-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c(O)c1 ZINC001144509358 1031664343 /nfs/dbraw/zinc/66/43/43/1031664343.db2.gz UPWPHYJQMBXFOE-INIZCTEOSA-N 1 0 317.360 3.670 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccccc2C)cc1Cn1cccn1 ZINC000873007759 1031691283 /nfs/dbraw/zinc/69/12/83/1031691283.db2.gz DSVKLQWGYDIXEO-UHFFFAOYSA-N 1 0 321.424 3.538 20 10 DHCDRO c1ccc(COCCC2([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000760444249 1031716942 /nfs/dbraw/zinc/71/69/42/1031716942.db2.gz ZLUDPVCYCQPYPO-UHFFFAOYSA-N 1 0 323.436 3.851 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000873184649 1031745322 /nfs/dbraw/zinc/74/53/22/1031745322.db2.gz VTHKOSDFJZXEHE-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CNc3ccccc32)c1 ZINC000873237474 1031769502 /nfs/dbraw/zinc/76/95/02/1031769502.db2.gz PUEPBAJODJKQOQ-KGLIPLIRSA-N 1 0 312.413 3.651 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cc4cnccc4o3)ccc21 ZINC000845928853 1031780500 /nfs/dbraw/zinc/78/05/00/1031780500.db2.gz PEWIBFISXUHTAA-UHFFFAOYSA-N 1 0 307.397 3.500 20 10 DHCDRO COC[C@H](CC(C)(C)C)[NH2+]CCCSc1nccs1 ZINC000845937477 1031783225 /nfs/dbraw/zinc/78/32/25/1031783225.db2.gz BJXMPLKHKDZCFN-LBPRGKRZSA-N 1 0 302.509 3.666 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000845973065 1031789096 /nfs/dbraw/zinc/78/90/96/1031789096.db2.gz VWMHQRHVHOYOAN-CYBMUJFWSA-N 1 0 301.386 3.574 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000845970972 1031789340 /nfs/dbraw/zinc/78/93/40/1031789340.db2.gz GINFUPQHGYXGQU-VNSJNIRKSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000845972833 1031789926 /nfs/dbraw/zinc/78/99/26/1031789926.db2.gz UXWLLAATFMTSDL-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1O ZINC000873291774 1031793621 /nfs/dbraw/zinc/79/36/21/1031793621.db2.gz XRXFXSBZJDRAEZ-JTQLQIEISA-N 1 0 308.784 3.926 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(C)c1OC ZINC000845990970 1031795524 /nfs/dbraw/zinc/79/55/24/1031795524.db2.gz SJXXDHVNKPFROZ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000846035861 1031827313 /nfs/dbraw/zinc/82/73/13/1031827313.db2.gz KJVGTOVUYIXQIE-COLVAYQJSA-N 1 0 301.789 3.756 20 10 DHCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000846045707 1031838633 /nfs/dbraw/zinc/83/86/33/1031838633.db2.gz VRAZXMQZUFDLTJ-IMZWBVRYSA-N 1 0 324.468 3.652 20 10 DHCDRO CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000846055008 1031843780 /nfs/dbraw/zinc/84/37/80/1031843780.db2.gz IKRXGLQIKYSELN-LBPRGKRZSA-N 1 0 307.825 3.544 20 10 DHCDRO ClC1(Cl)C[C@@H]1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846103448 1031875652 /nfs/dbraw/zinc/87/56/52/1031875652.db2.gz XRCRGFWKWYHOGL-ZDUSSCGKSA-N 1 0 300.229 3.685 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2cncs2)ccc1OC ZINC000897934344 1031877363 /nfs/dbraw/zinc/87/73/63/1031877363.db2.gz IAZSJDRVKJTIHM-GFCCVEGCSA-N 1 0 306.431 3.539 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC)c1O ZINC000846148903 1031882963 /nfs/dbraw/zinc/88/29/63/1031882963.db2.gz IIUOOJCVABITCE-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148798 1031883244 /nfs/dbraw/zinc/88/32/44/1031883244.db2.gz HELXLHYKKSHWBJ-LRDDRELGSA-N 1 0 313.397 3.748 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)c1O ZINC000846150963 1031883674 /nfs/dbraw/zinc/88/36/74/1031883674.db2.gz UCBWPJRANSUUQY-NSHDSACASA-N 1 0 306.431 3.832 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1O ZINC000846154650 1031886247 /nfs/dbraw/zinc/88/62/47/1031886247.db2.gz OUJZJHVPQCMLLA-PMUMKWKESA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000846159308 1031892314 /nfs/dbraw/zinc/89/23/14/1031892314.db2.gz JDNJVYIUAHMUQN-RRFJBIMHSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCC2CCC(OC)CC2)c1O ZINC000846166241 1031893865 /nfs/dbraw/zinc/89/38/65/1031893865.db2.gz UAIHXNJMCSCNHV-WLYUNCDWSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846167419 1031894863 /nfs/dbraw/zinc/89/48/63/1031894863.db2.gz JQGQQHUWABDEBX-XGUBFFRZSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000846167413 1031894896 /nfs/dbraw/zinc/89/48/96/1031894896.db2.gz JQGQQHUWABDEBX-IHRRRGAJSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)c1O ZINC000846168353 1031896532 /nfs/dbraw/zinc/89/65/32/1031896532.db2.gz SRROTGVPCHEDMF-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC000897993716 1031900502 /nfs/dbraw/zinc/90/05/02/1031900502.db2.gz BABQADORCCCEDH-SFHVURJKSA-N 1 0 314.429 3.981 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)c1O ZINC000846144248 1031906112 /nfs/dbraw/zinc/90/61/12/1031906112.db2.gz LMGPUPDNOSPBTM-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c1O ZINC000846144447 1031906563 /nfs/dbraw/zinc/90/65/63/1031906563.db2.gz DKODIWFOAXHXJK-JKIFEVAISA-N 1 0 315.413 3.564 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCc2cccc(F)c2)c1O ZINC000846145258 1031906574 /nfs/dbraw/zinc/90/65/74/1031906574.db2.gz MLAZJUBGDPCMOF-ZDUSSCGKSA-N 1 0 303.377 3.823 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCO[C@@H]2CCCC[C@H]2C)c1O ZINC000846147579 1031909552 /nfs/dbraw/zinc/90/95/52/1031909552.db2.gz WCXFBWPFEZFKOL-IJEWVQPXSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCO[C@H]2CCCC[C@H]2C)c1O ZINC000846147585 1031910928 /nfs/dbraw/zinc/91/09/28/1031910928.db2.gz WCXFBWPFEZFKOL-YCPHGPKFSA-N 1 0 307.434 3.647 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846185994 1031919930 /nfs/dbraw/zinc/91/99/30/1031919930.db2.gz CHYZPCGIRAUXEH-QRWLVFNGSA-N 1 0 316.489 3.999 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000846187721 1031921066 /nfs/dbraw/zinc/92/10/66/1031921066.db2.gz MFERGRXLLPHWAN-WOJBJXKFSA-N 1 0 316.489 3.999 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898072130 1031944918 /nfs/dbraw/zinc/94/49/18/1031944918.db2.gz YKZBPEMMIZXNHS-LLVKDONJSA-N 1 0 308.834 3.567 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)cc1Cl ZINC000898319230 1032035287 /nfs/dbraw/zinc/03/52/87/1032035287.db2.gz AZECZGWLZOKREB-KRWDZBQOSA-N 1 0 302.805 3.990 20 10 DHCDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877468854 1033310255 /nfs/dbraw/zinc/31/02/55/1033310255.db2.gz OEOJAPJEXLWOBD-IKGGRYGDSA-N 1 0 316.489 3.514 20 10 DHCDRO Cc1cccc(O)c1CN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000877470817 1033310496 /nfs/dbraw/zinc/31/04/96/1033310496.db2.gz NERRILJZHLQOOR-CQSZACIVSA-N 1 0 323.396 3.525 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000877513096 1033330860 /nfs/dbraw/zinc/33/08/60/1033330860.db2.gz KZCVZERGSXRNKS-UHFFFAOYSA-N 1 0 314.404 3.730 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3ccccc3n2C)c1 ZINC000877532832 1033339837 /nfs/dbraw/zinc/33/98/37/1033339837.db2.gz ILEMFSFJOLDGIV-CYBMUJFWSA-N 1 0 310.397 3.743 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000877533495 1033339886 /nfs/dbraw/zinc/33/98/86/1033339886.db2.gz PEHDBTHMUJFXIF-IQUTYRLHSA-N 1 0 315.413 3.828 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(Cl)c1 ZINC000877537074 1033344441 /nfs/dbraw/zinc/34/44/41/1033344441.db2.gz GYBJKFRMMIFPMQ-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543182 1033347394 /nfs/dbraw/zinc/34/73/94/1033347394.db2.gz ZQIUXUKFDJDBKQ-INIZCTEOSA-N 1 0 304.478 3.658 20 10 DHCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562277 1033357780 /nfs/dbraw/zinc/35/77/80/1033357780.db2.gz QSYWINZGDQSVSA-ZWKOTPCHSA-N 1 0 316.489 3.564 20 10 DHCDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(O)c1 ZINC000877576238 1033365384 /nfs/dbraw/zinc/36/53/84/1033365384.db2.gz GOCJTZVJQOWJSJ-UHFFFAOYSA-N 1 0 323.436 3.765 20 10 DHCDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877578753 1033367132 /nfs/dbraw/zinc/36/71/32/1033367132.db2.gz HOKOSKBDPLPYKA-OXJNMPFZSA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000877611085 1033379938 /nfs/dbraw/zinc/37/99/38/1033379938.db2.gz MVTOCBANLMWLFP-UHFFFAOYSA-N 1 0 303.299 3.567 20 10 DHCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825986699 1033388742 /nfs/dbraw/zinc/38/87/42/1033388742.db2.gz MOWJLOZIMXAXQM-UHFFFAOYSA-N 1 0 308.809 3.893 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877674335 1033408071 /nfs/dbraw/zinc/40/80/71/1033408071.db2.gz UBMLINZMECPMNT-RTWAWAEBSA-N 1 0 324.468 3.759 20 10 DHCDRO CCC1([NH+](C)C)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000877689198 1033412283 /nfs/dbraw/zinc/41/22/83/1033412283.db2.gz ANPGLJIJCYCMDE-BQYQJAHWSA-N 1 0 315.505 3.572 20 10 DHCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151065875 1033412839 /nfs/dbraw/zinc/41/28/39/1033412839.db2.gz QDOZTQOUNMGJBL-OAHLLOKOSA-N 1 0 322.518 3.533 20 10 DHCDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000151150328 1033421830 /nfs/dbraw/zinc/42/18/30/1033421830.db2.gz KJKRQOGDDLYAPG-QGZVFWFLSA-N 1 0 312.461 3.614 20 10 DHCDRO Cc1c(Br)cncc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756022 1033434171 /nfs/dbraw/zinc/43/41/71/1033434171.db2.gz ZCMFRUJIZYMLOS-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757217 1033434681 /nfs/dbraw/zinc/43/46/81/1033434681.db2.gz OWZLDLRCJWVCKN-CABCVRRESA-N 1 0 312.413 3.769 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1O ZINC000877758209 1033435880 /nfs/dbraw/zinc/43/58/80/1033435880.db2.gz NBEVRPCMBJNFAY-KGLIPLIRSA-N 1 0 315.413 3.778 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(OC(F)F)c1 ZINC000877757127 1033436114 /nfs/dbraw/zinc/43/61/14/1033436114.db2.gz IEVLSERJNLEHKL-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)c1ccccc1O ZINC000877756607 1033436157 /nfs/dbraw/zinc/43/61/57/1033436157.db2.gz XKOXVRNOQYCTLB-ZIAGYGMSSA-N 1 0 309.413 3.940 20 10 DHCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000877812518 1033464422 /nfs/dbraw/zinc/46/44/22/1033464422.db2.gz BYXYNBIULURRKI-NSHDSACASA-N 1 0 308.834 3.800 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172918532 1033467208 /nfs/dbraw/zinc/46/72/08/1033467208.db2.gz RWLJQXVHXAGFQR-PKOBYXMFSA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877823523 1033473248 /nfs/dbraw/zinc/47/32/48/1033473248.db2.gz MCKZFXXIVOMUBJ-TVQRCGJNSA-N 1 0 323.742 3.587 20 10 DHCDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000877834953 1033481671 /nfs/dbraw/zinc/48/16/71/1033481671.db2.gz BSBCWGLWIAGFJD-SFHVURJKSA-N 1 0 311.425 3.652 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000927066339 1033488167 /nfs/dbraw/zinc/48/81/67/1033488167.db2.gz BHYWFDYVVHFSJJ-BDJLRTHQSA-N 1 0 307.825 3.827 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000927067152 1033493183 /nfs/dbraw/zinc/49/31/83/1033493183.db2.gz NRNMPLRDCOASPN-UCLAIMLFSA-N 1 0 302.462 3.608 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000152229205 1033507036 /nfs/dbraw/zinc/50/70/36/1033507036.db2.gz SMQZWUOHVPLGJB-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO Oc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)c(O)c1 ZINC001173196727 1033587760 /nfs/dbraw/zinc/58/77/60/1033587760.db2.gz VMYJVTDJEYHLPE-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO CCSC[C@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001173304806 1033658446 /nfs/dbraw/zinc/65/84/46/1033658446.db2.gz KDSWTHGDMNAIRB-ZDUSSCGKSA-N 1 0 318.486 3.687 20 10 DHCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001173439946 1033727984 /nfs/dbraw/zinc/72/79/84/1033727984.db2.gz CDBOYQLKIVZCDC-AWEZNQCLSA-N 1 0 315.413 3.757 20 10 DHCDRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001173438818 1033728571 /nfs/dbraw/zinc/72/85/71/1033728571.db2.gz ABYFUZCBUHJBLI-GJZGRUSLSA-N 1 0 306.450 3.525 20 10 DHCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CCCC1 ZINC000479440433 1033755321 /nfs/dbraw/zinc/75/53/21/1033755321.db2.gz SDKFNPPHLGKGND-KRWDZBQOSA-N 1 0 300.446 3.782 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(F)c2C)cc1F ZINC000862280270 1033809952 /nfs/dbraw/zinc/80/99/52/1033809952.db2.gz XYNJJAWCTSTWDJ-UHFFFAOYSA-N 1 0 319.399 3.804 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1O ZINC000862478557 1033862185 /nfs/dbraw/zinc/86/21/85/1033862185.db2.gz JQNOIVYRGWLWLR-AWEZNQCLSA-N 1 0 315.413 3.526 20 10 DHCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccccc3O)C2)cc1F ZINC000862540171 1033879748 /nfs/dbraw/zinc/87/97/48/1033879748.db2.gz APPRPHWNUIQHLN-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO CCOc1cccc(C[NH2+][C@](C)(CC)c2nc(C)cs2)c1O ZINC000174504626 1033937856 /nfs/dbraw/zinc/93/78/56/1033937856.db2.gz IKVJOOVTNAMGOX-QGZVFWFLSA-N 1 0 320.458 3.971 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000119346785 1034026731 /nfs/dbraw/zinc/02/67/31/1034026731.db2.gz YKJLNIUJSKZHLA-FUHWJXTLSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000119346890 1034027434 /nfs/dbraw/zinc/02/74/34/1034027434.db2.gz YKJLNIUJSKZHLA-SJLPKXTDSA-N 1 0 316.489 3.970 20 10 DHCDRO CCc1cc(C[N@H+](C)CC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000863299096 1034059402 /nfs/dbraw/zinc/05/94/02/1034059402.db2.gz DBQOKSBZZFMZRA-UHFFFAOYSA-N 1 0 305.462 3.720 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879648712 1034071208 /nfs/dbraw/zinc/07/12/08/1034071208.db2.gz AHQGHHZCHLWZFQ-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(C)cc1 ZINC000879650226 1034073530 /nfs/dbraw/zinc/07/35/30/1034073530.db2.gz QJHDIRWPYGSJEC-YOEHRIQHSA-N 1 0 312.413 3.769 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000879651982 1034075783 /nfs/dbraw/zinc/07/57/83/1034075783.db2.gz RTQKCVVDSJJASA-STQMWFEESA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1Cl ZINC000826122141 1034115955 /nfs/dbraw/zinc/11/59/55/1034115955.db2.gz YBIGKDHFHMUVBC-DOTOQJQBSA-N 1 0 323.864 3.727 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000179557790 1034315997 /nfs/dbraw/zinc/31/59/97/1034315997.db2.gz WSEUYFSTFRJQAO-QGZVFWFLSA-N 1 0 303.789 3.619 20 10 DHCDRO CCc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794672991 1034334379 /nfs/dbraw/zinc/33/43/79/1034334379.db2.gz PEWFRUCRFIQGLP-HXUWFJFHSA-N 1 0 319.489 3.989 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000183439888 1034384494 /nfs/dbraw/zinc/38/44/94/1034384494.db2.gz XQJBBTIHEBQUTL-CJNGLKHVSA-N 1 0 313.397 3.965 20 10 DHCDRO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1O ZINC000183413850 1034384817 /nfs/dbraw/zinc/38/48/17/1034384817.db2.gz YPSLKKVETJKBLQ-KRWDZBQOSA-N 1 0 324.468 3.750 20 10 DHCDRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183518117 1034397599 /nfs/dbraw/zinc/39/75/99/1034397599.db2.gz SOFOLKSRIJLRLL-AUUYWEPGSA-N 1 0 315.413 3.564 20 10 DHCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001202514648 1034456970 /nfs/dbraw/zinc/45/69/70/1034456970.db2.gz YORZEWDSQDHRER-UXHICEINSA-N 1 0 318.505 3.666 20 10 DHCDRO CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C)cc1O ZINC000794798540 1034467790 /nfs/dbraw/zinc/46/77/90/1034467790.db2.gz VTNUSUFUZYCWQL-CQSZACIVSA-N 1 0 318.383 3.626 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794800559 1034469722 /nfs/dbraw/zinc/46/97/22/1034469722.db2.gz DBRUBLNEMPWHMS-MAUKXSAKSA-N 1 0 324.424 3.547 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(C)cc1O ZINC000794794325 1034474758 /nfs/dbraw/zinc/47/47/58/1034474758.db2.gz LWUSTEPWQNWBHI-GDBMZVCRSA-N 1 0 313.397 3.581 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805563 1034491722 /nfs/dbraw/zinc/49/17/22/1034491722.db2.gz XGCDWAOABFEBAE-IEBWSBKVSA-N 1 0 313.441 3.999 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000184845956 1034505009 /nfs/dbraw/zinc/50/50/09/1034505009.db2.gz KLWOQJWIARPEAX-QWRGUYRKSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000184885110 1034507153 /nfs/dbraw/zinc/50/71/53/1034507153.db2.gz XDAJMMAFDVGKTA-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(C)cc1O ZINC000794809682 1034509996 /nfs/dbraw/zinc/50/99/96/1034509996.db2.gz HUPKCOPVBMVRAZ-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c(O)c1 ZINC000184911351 1034513470 /nfs/dbraw/zinc/51/34/70/1034513470.db2.gz PVAHBOOQWACSKO-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000184944318 1034514982 /nfs/dbraw/zinc/51/49/82/1034514982.db2.gz ODVIQVPHGKWQOL-QLJPJBMISA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000184998283 1034519561 /nfs/dbraw/zinc/51/95/61/1034519561.db2.gz CRMASWQNNXTBLG-SJORKVTESA-N 1 0 310.441 3.878 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000185095490 1034527932 /nfs/dbraw/zinc/52/79/32/1034527932.db2.gz ZRUWTOGNLVFWGA-MGPLVRAMSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(C)cc1O ZINC000794817215 1034534915 /nfs/dbraw/zinc/53/49/15/1034534915.db2.gz NWTAAQXMSIIXAQ-NVXWUHKLSA-N 1 0 305.462 3.930 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1O ZINC000185209059 1034536055 /nfs/dbraw/zinc/53/60/55/1034536055.db2.gz XNEFDKUVZAVIAZ-IBGZPJMESA-N 1 0 321.424 3.878 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1O ZINC000794818516 1034536864 /nfs/dbraw/zinc/53/68/64/1034536864.db2.gz XFRXLJZKAOBEKE-PKOBYXMFSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323117 1034541271 /nfs/dbraw/zinc/54/12/71/1034541271.db2.gz REVUGVWANQURBI-AWEZNQCLSA-N 1 0 313.397 3.713 20 10 DHCDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185338000 1034543926 /nfs/dbraw/zinc/54/39/26/1034543926.db2.gz XGLKYHGRVOWYTJ-AWEZNQCLSA-N 1 0 312.413 3.552 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccc1OC ZINC000185453157 1034548620 /nfs/dbraw/zinc/54/86/20/1034548620.db2.gz FUVUAKFHSUPRTB-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1OC ZINC000185452948 1034548924 /nfs/dbraw/zinc/54/89/24/1034548924.db2.gz JMHBKGUCYWJJEB-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1OC ZINC000185452653 1034549241 /nfs/dbraw/zinc/54/92/41/1034549241.db2.gz RBCNUNFAYYGRAS-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000794830131 1034551446 /nfs/dbraw/zinc/55/14/46/1034551446.db2.gz ZEDQOERTFIGBGO-XHDPSFHLSA-N 1 0 300.377 3.615 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000185518520 1034553824 /nfs/dbraw/zinc/55/38/24/1034553824.db2.gz QBZFJUDQPLFONY-ZUZCIYMTSA-N 1 0 311.834 3.665 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000185525160 1034554212 /nfs/dbraw/zinc/55/42/12/1034554212.db2.gz MECKTVWSYSCLFS-UKRRQHHQSA-N 1 0 319.832 3.862 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)c1 ZINC000185808048 1034574234 /nfs/dbraw/zinc/57/42/34/1034574234.db2.gz RPHCMLUKQPJAJM-NSHDSACASA-N 1 0 306.431 3.832 20 10 DHCDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185840621 1034580074 /nfs/dbraw/zinc/58/00/74/1034580074.db2.gz KEXDXIKBPLYUFZ-PGUXBMHVSA-N 1 0 309.406 3.756 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794836067 1034592013 /nfs/dbraw/zinc/59/20/13/1034592013.db2.gz RTUXABDDCJCAED-VQIMIIECSA-N 1 0 316.489 3.879 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncc(OC)c2C)cc1 ZINC000865418472 1034637138 /nfs/dbraw/zinc/63/71/38/1034637138.db2.gz LYBPVYWYHYUVNK-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cc(F)ccc1O ZINC000186507816 1034639235 /nfs/dbraw/zinc/63/92/35/1034639235.db2.gz PEBURNONXVMMRZ-LBPRGKRZSA-N 1 0 318.392 3.954 20 10 DHCDRO CCO[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000193436483 1034844369 /nfs/dbraw/zinc/84/43/69/1034844369.db2.gz XLTZVZIHOQXLGC-LIRRHRJNSA-N 1 0 315.413 3.829 20 10 DHCDRO c1ccc2c(c1)CCO[C@H]2C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177816321 1035391057 /nfs/dbraw/zinc/39/10/57/1035391057.db2.gz KLJVGBRVXQLGMD-NRFANRHFSA-N 1 0 322.452 3.690 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000773754920 1035436605 /nfs/dbraw/zinc/43/66/05/1035436605.db2.gz PRTNYPBKBPKWPU-UHFFFAOYSA-N 1 0 300.368 3.917 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001178998302 1035460542 /nfs/dbraw/zinc/46/05/42/1035460542.db2.gz IVLVYJDZVVJSDE-NHQAVIFJSA-N 1 0 310.416 3.993 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1F ZINC001179506553 1035481844 /nfs/dbraw/zinc/48/18/44/1035481844.db2.gz AADGIUFKXWJCOE-GJYPPUQNSA-N 1 0 320.452 3.719 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1F ZINC001179506556 1035482098 /nfs/dbraw/zinc/48/20/98/1035482098.db2.gz AADGIUFKXWJCOE-TXPKVOOTSA-N 1 0 320.452 3.719 20 10 DHCDRO COc1ccc(C[NH2+]CCc2ccnn2-c2ccccc2)cc1C ZINC001179616283 1035485989 /nfs/dbraw/zinc/48/59/89/1035485989.db2.gz NRPMBDPSWUOKCR-UHFFFAOYSA-N 1 0 321.424 3.522 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C2CCOCC2)c(Cl)c1 ZINC001179681603 1035493063 /nfs/dbraw/zinc/49/30/63/1035493063.db2.gz OZWBEMBOTSABAA-UHFFFAOYSA-N 1 0 311.853 3.896 20 10 DHCDRO COc1cc(C[NH2+]C(C)(C)CSC)c(O)c(C(C)(C)C)c1 ZINC001179740651 1035493386 /nfs/dbraw/zinc/49/33/86/1035493386.db2.gz NSSOOVMDEBEZLZ-UHFFFAOYSA-N 1 0 311.491 3.930 20 10 DHCDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC001179749973 1035498685 /nfs/dbraw/zinc/49/86/85/1035498685.db2.gz ADWDJYICSGQZMR-SFHVURJKSA-N 1 0 317.502 3.515 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000773830122 1035505719 /nfs/dbraw/zinc/50/57/19/1035505719.db2.gz DOWCLKHGISRQIK-IBGZPJMESA-N 1 0 304.478 3.564 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000773839068 1035597683 /nfs/dbraw/zinc/59/76/83/1035597683.db2.gz LXZGHGNGKSXHTO-HNNXBMFYSA-N 1 0 300.450 3.771 20 10 DHCDRO CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001180125425 1035605609 /nfs/dbraw/zinc/60/56/09/1035605609.db2.gz ZHPUHFSPXPJXJM-UHFFFAOYSA-N 1 0 324.896 3.908 20 10 DHCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000905720281 1035622152 /nfs/dbraw/zinc/62/21/52/1035622152.db2.gz CBZGDGVKIUIAQP-MRXNPFEDSA-N 1 0 321.424 3.659 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)c1ccco1 ZINC001180317728 1035639702 /nfs/dbraw/zinc/63/97/02/1035639702.db2.gz MWUSUFLWGWVKKR-MRXNPFEDSA-N 1 0 303.402 3.976 20 10 DHCDRO C[C@H]1CCCC[C@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001180359944 1035654611 /nfs/dbraw/zinc/65/46/11/1035654611.db2.gz ZFCFBQARCLSLGW-HKUYNNGSSA-N 1 0 316.489 3.781 20 10 DHCDRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(F)ccc1O ZINC001180565486 1035717597 /nfs/dbraw/zinc/71/75/97/1035717597.db2.gz DGBNSISIRFNFEJ-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO Cc1c(C[NH2+]Cc2ccc(Cl)cc2O)cccc1[N+](=O)[O-] ZINC001180856547 1035775140 /nfs/dbraw/zinc/77/51/40/1035775140.db2.gz HZDZHPOFMGUPHN-UHFFFAOYSA-N 1 0 306.749 3.552 20 10 DHCDRO CCCN(C[C@H](OC)C1CCCCC1)c1ccc(C[NH3+])cc1 ZINC001181457114 1035918271 /nfs/dbraw/zinc/91/82/71/1035918271.db2.gz OGTMIDHSYHGSKV-IBGZPJMESA-N 1 0 304.478 3.957 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(O)c1 ZINC001181575204 1035943343 /nfs/dbraw/zinc/94/33/43/1035943343.db2.gz FTJMNCKZFDQTKV-UHFFFAOYSA-N 1 0 314.404 3.552 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC001182139511 1036107780 /nfs/dbraw/zinc/10/77/80/1036107780.db2.gz KWTFDJHNMNYLEQ-INIZCTEOSA-N 1 0 311.853 3.631 20 10 DHCDRO COc1ccc(O)c(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000775644422 1036164312 /nfs/dbraw/zinc/16/43/12/1036164312.db2.gz GGFVVNXUEFRETL-UHFFFAOYSA-N 1 0 309.409 3.999 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)CCC2=CCCCC2)cc1 ZINC001195788196 1036346855 /nfs/dbraw/zinc/34/68/55/1036346855.db2.gz GACQWAFHUYDZRN-UHFFFAOYSA-N 1 0 302.462 3.954 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC1(C)C ZINC001182856112 1036469768 /nfs/dbraw/zinc/46/97/68/1036469768.db2.gz SAQJTXIKZHZLKZ-WBAXXEDZSA-N 1 0 302.462 3.688 20 10 DHCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001183065845 1036517572 /nfs/dbraw/zinc/51/75/72/1036517572.db2.gz QGYYDXPAIZHUSI-MJGOQNOKSA-N 1 0 319.445 3.727 20 10 DHCDRO Cc1cc(Cl)cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000775716739 1036525406 /nfs/dbraw/zinc/52/54/06/1036525406.db2.gz MXJXTJMONOJTCJ-MRXNPFEDSA-N 1 0 310.869 3.660 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000029894391 1036555288 /nfs/dbraw/zinc/55/52/88/1036555288.db2.gz UBUVJKFYIVKBAX-LJQANCHMSA-N 1 0 315.388 3.722 20 10 DHCDRO Oc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001183362528 1036570323 /nfs/dbraw/zinc/57/03/23/1036570323.db2.gz CDBFABUHMNXBBX-TXEJJXNPSA-N 1 0 308.219 3.553 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2cccc3ncccc23)c1O ZINC001183711996 1036655044 /nfs/dbraw/zinc/65/50/44/1036655044.db2.gz WLHBNXCIMQQICE-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC001183802984 1036680135 /nfs/dbraw/zinc/68/01/35/1036680135.db2.gz ZIJFBOBYFRJFTP-DODVFSASSA-N 1 0 304.503 3.825 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@@H](C)CC(C)C)CC2)c(OC)c1 ZINC001197105223 1036687703 /nfs/dbraw/zinc/68/77/03/1036687703.db2.gz QLVYGLMOFKBONP-INIZCTEOSA-N 1 0 320.477 3.508 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1O ZINC001183940407 1036705119 /nfs/dbraw/zinc/70/51/19/1036705119.db2.gz UZZGOHJCKNEWLS-FQEVSTJZSA-N 1 0 311.425 3.750 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000762503133 1036801252 /nfs/dbraw/zinc/80/12/52/1036801252.db2.gz JBYZVZGACYECJF-QRWLVFNGSA-N 1 0 312.457 3.917 20 10 DHCDRO C[C@@H]1C[NH+](Cc2cc3oc4ccccc4c3cc2O)C[C@@H](C)O1 ZINC000915789553 1037185721 /nfs/dbraw/zinc/18/57/21/1037185721.db2.gz QUSNYRYEMQHLQE-CHWSQXEVSA-N 1 0 311.381 3.901 20 10 DHCDRO Cc1cccc(OCCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001199052619 1037190916 /nfs/dbraw/zinc/19/09/16/1037190916.db2.gz JBBSZZWSJVUYLP-UHFFFAOYSA-N 1 0 311.425 3.879 20 10 DHCDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001168499728 1037199476 /nfs/dbraw/zinc/19/94/76/1037199476.db2.gz FATFEDRIKCOHTE-OAHLLOKOSA-N 1 0 300.421 3.955 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001203933592 1037248997 /nfs/dbraw/zinc/24/89/97/1037248997.db2.gz AXPNNUDTTMULNA-HXUWFJFHSA-N 1 0 310.441 3.544 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cccc3cccnc32)c(O)c1 ZINC001203627740 1037259864 /nfs/dbraw/zinc/25/98/64/1037259864.db2.gz MRQRKTNQQSWKRS-UHFFFAOYSA-N 1 0 308.381 3.581 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776015665 1037309589 /nfs/dbraw/zinc/30/95/89/1037309589.db2.gz XBHMRFYVJSAFRX-JQWIXIFHSA-N 1 0 303.324 3.564 20 10 DHCDRO c1ccc(C2CC2)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001199733026 1037319836 /nfs/dbraw/zinc/31/98/36/1037319836.db2.gz WZFLLJJAGCMOMQ-UHFFFAOYSA-N 1 0 322.452 3.690 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825529577 1037337189 /nfs/dbraw/zinc/33/71/89/1037337189.db2.gz FFYNPSLSHGNDHU-DLBZAZTESA-N 1 0 309.837 3.649 20 10 DHCDRO CCO[C@H](CC[NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001200910479 1037459240 /nfs/dbraw/zinc/45/92/40/1037459240.db2.gz FWZWSQOADJSUGR-LJQANCHMSA-N 1 0 304.478 3.828 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCNc2ccccn2)cc1 ZINC001200901413 1037472267 /nfs/dbraw/zinc/47/22/67/1037472267.db2.gz IOBQOGSKQOPNDB-UHFFFAOYSA-N 1 0 312.461 3.520 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000163624690 1037640100 /nfs/dbraw/zinc/64/01/00/1037640100.db2.gz OUJPMQNAKVVFQQ-UHFFFAOYSA-N 1 0 316.470 3.739 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(Br)cc2F)c1O ZINC000776187573 1037683136 /nfs/dbraw/zinc/68/31/36/1037683136.db2.gz JCXXYLNZGGXHOJ-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO CCCN(Cc1cnc2cccc(C)n12)c1ccc(C[NH3+])cc1 ZINC000775139729 1037700500 /nfs/dbraw/zinc/70/05/00/1037700500.db2.gz GDBLBLGCWLFQJS-UHFFFAOYSA-N 1 0 308.429 3.518 20 10 DHCDRO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC000775140333 1037705390 /nfs/dbraw/zinc/70/53/90/1037705390.db2.gz LWZNSERUTPLXQN-UHFFFAOYSA-N 1 0 313.401 3.779 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000151182594 1037749861 /nfs/dbraw/zinc/74/98/61/1037749861.db2.gz SCUVQYIWHKHDKA-HNNXBMFYSA-N 1 0 313.445 3.787 20 10 DHCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151182303 1037751056 /nfs/dbraw/zinc/75/10/56/1037751056.db2.gz KPADLYCHPHCECC-SJLPKXTDSA-N 1 0 304.478 3.735 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000029656439 1037865505 /nfs/dbraw/zinc/86/55/05/1037865505.db2.gz BSPZFDOIKAWYSN-AWEZNQCLSA-N 1 0 315.413 3.872 20 10 DHCDRO CCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001202066087 1037998892 /nfs/dbraw/zinc/99/88/92/1037998892.db2.gz KHVYDXCDGXAGIM-CQSZACIVSA-N 1 0 300.450 3.518 20 10 DHCDRO COc1cc(C)cc(C[N@H+](Cc2cccs2)C2CC2)c1O ZINC000163936525 1038025409 /nfs/dbraw/zinc/02/54/09/1038025409.db2.gz NXEPASMRPLIXLW-UHFFFAOYSA-N 1 0 303.427 3.935 20 10 DHCDRO CCOc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)c(O)c1 ZINC000776252500 1038073720 /nfs/dbraw/zinc/07/37/20/1038073720.db2.gz BYQWMBSMTQWECA-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000776253738 1038075182 /nfs/dbraw/zinc/07/51/82/1038075182.db2.gz PWLQVUIDVFBQBE-MRXNPFEDSA-N 1 0 302.805 3.990 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3cccnc32)cc1 ZINC000055527725 1038185282 /nfs/dbraw/zinc/18/52/82/1038185282.db2.gz LESXZWHVDDNVFL-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC001203708052 1038186459 /nfs/dbraw/zinc/18/64/59/1038186459.db2.gz DIWPIGXJSHPTPJ-UHFFFAOYSA-N 1 0 310.441 3.634 20 10 DHCDRO COc1cc(C)cc(C[N@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000164473033 1038202023 /nfs/dbraw/zinc/20/20/23/1038202023.db2.gz UGHZKGANSSYGIP-UHFFFAOYSA-N 1 0 317.351 3.874 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000164504083 1038205578 /nfs/dbraw/zinc/20/55/78/1038205578.db2.gz KNLNDFLZTNEPQT-HNNXBMFYSA-N 1 0 303.427 3.644 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361758 1038273754 /nfs/dbraw/zinc/27/37/54/1038273754.db2.gz FWFDEMPJFFQSSS-HNNXBMFYSA-N 1 0 320.440 3.994 20 10 DHCDRO CCn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000156776176 1038282614 /nfs/dbraw/zinc/28/26/14/1038282614.db2.gz XJCNTHBKRAFXNU-UHFFFAOYSA-N 1 0 313.445 3.944 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2Cl)c1 ZINC000775373174 1038294798 /nfs/dbraw/zinc/29/47/98/1038294798.db2.gz OQMKGCBESOLHKC-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000775373293 1038294816 /nfs/dbraw/zinc/29/48/16/1038294816.db2.gz BPMRQGAQKDYIEM-INIZCTEOSA-N 1 0 313.825 3.503 20 10 DHCDRO CC(C)[N@H+](CCCOC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC001190437016 1038316533 /nfs/dbraw/zinc/31/65/33/1038316533.db2.gz QXENSFQWXXWCHY-UHFFFAOYSA-N 1 0 318.383 3.890 20 10 DHCDRO COC[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C(C)C ZINC001190437281 1038319623 /nfs/dbraw/zinc/31/96/23/1038319623.db2.gz WKYGWTIOVJWOQC-SFHVURJKSA-N 1 0 306.494 3.882 20 10 DHCDRO CCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000165319899 1038472386 /nfs/dbraw/zinc/47/23/86/1038472386.db2.gz FHYQJZJTFXBUEJ-UHFFFAOYSA-N 1 0 302.462 3.834 20 10 DHCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Cl)ccc1O ZINC000775484346 1038550162 /nfs/dbraw/zinc/55/01/62/1038550162.db2.gz BVEUIPGEWMPDLL-OAHLLOKOSA-N 1 0 310.869 3.961 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1O ZINC000775483459 1038550661 /nfs/dbraw/zinc/55/06/61/1038550661.db2.gz WBRCMYXJWAYTPF-GJZGRUSLSA-N 1 0 322.836 3.982 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775483373 1038550805 /nfs/dbraw/zinc/55/08/05/1038550805.db2.gz SJFGIXAYWUXSQI-WBVHZDCISA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)ccc1O ZINC000775492128 1038559774 /nfs/dbraw/zinc/55/97/74/1038559774.db2.gz MCNXEXHRDWKZCP-OAHLLOKOSA-N 1 0 307.825 3.751 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1O ZINC000775491080 1038560256 /nfs/dbraw/zinc/56/02/56/1038560256.db2.gz YGOXHXKLOITPTQ-MRXNPFEDSA-N 1 0 323.795 3.918 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775502173 1038591500 /nfs/dbraw/zinc/59/15/00/1038591500.db2.gz PMNFYEZYHWJCRK-RDJZCZTQSA-N 1 0 319.832 3.690 20 10 DHCDRO CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775507938 1038600291 /nfs/dbraw/zinc/60/02/91/1038600291.db2.gz PTAXHTFHFCRDQX-RBZFPXEDSA-N 1 0 317.882 3.634 20 10 DHCDRO CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775507941 1038600465 /nfs/dbraw/zinc/60/04/65/1038600465.db2.gz PTAXHTFHFCRDQX-ZUOKHONESA-N 1 0 317.882 3.634 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775513921 1038608749 /nfs/dbraw/zinc/60/87/49/1038608749.db2.gz WMOCDTNYDOEOIZ-RBOXIYTFSA-N 1 0 308.853 3.712 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000775522201 1038626032 /nfs/dbraw/zinc/62/60/32/1038626032.db2.gz MAEOBEUMVFLYAI-ZBFHGGJFSA-N 1 0 313.397 3.663 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1O ZINC000775525908 1038643802 /nfs/dbraw/zinc/64/38/02/1038643802.db2.gz OTMHKLFKBBPQGP-LQKXBSAESA-N 1 0 309.500 3.813 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)ccn1 ZINC000171140490 1039280033 /nfs/dbraw/zinc/28/00/33/1039280033.db2.gz DMBNVDRIDPCCBF-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000174375190 1040624281 /nfs/dbraw/zinc/62/42/81/1040624281.db2.gz FLWQGPPRSGVGFZ-HNNXBMFYSA-N 1 0 312.413 3.631 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2c[nH]c3c2cccc3C)c1O ZINC000174448474 1040642665 /nfs/dbraw/zinc/64/26/65/1040642665.db2.gz OINQOYRDFNTGAG-UHFFFAOYSA-N 1 0 324.424 3.913 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000174480488 1040647114 /nfs/dbraw/zinc/64/71/14/1040647114.db2.gz DGQJRRFVASCSOB-AWEZNQCLSA-N 1 0 309.793 3.678 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc(OC)c1O ZINC000092705022 185334395 /nfs/dbraw/zinc/33/43/95/185334395.db2.gz NNLQWUUOBGELBV-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO CC[NH+](CC)Cc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000076272194 191607040 /nfs/dbraw/zinc/60/70/40/191607040.db2.gz LHYDFTABLDJNOC-UHFFFAOYSA-N 1 0 314.429 3.855 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000278142818 370690916 /nfs/dbraw/zinc/69/09/16/370690916.db2.gz AFCZVBNENVJQTP-UHFFFAOYSA-N 1 0 316.832 3.918 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(OC(F)F)c1 ZINC000091956604 193132560 /nfs/dbraw/zinc/13/25/60/193132560.db2.gz PMDJPAYWBIVRNH-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(Cl)c1OC ZINC000091974687 193134909 /nfs/dbraw/zinc/13/49/09/193134909.db2.gz DKRKVKUMBTXCLD-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624386 130046803 /nfs/dbraw/zinc/04/68/03/130046803.db2.gz YXECOIWOUJZUOS-YOEHRIQHSA-N 1 0 302.418 3.774 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000273537039 130133214 /nfs/dbraw/zinc/13/32/14/130133214.db2.gz XQHRVAJHUJVBQK-LSDHHAIUSA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273609085 130142834 /nfs/dbraw/zinc/14/28/34/130142834.db2.gz VCTKPEGUWMVMMS-UONOGXRCSA-N 1 0 324.424 3.631 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c(O)c1C ZINC000273606697 130143102 /nfs/dbraw/zinc/14/31/02/130143102.db2.gz UHUPEYGKNSYMJP-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273612096 130144355 /nfs/dbraw/zinc/14/43/55/130144355.db2.gz WFPAFVUUBUHIEV-SNVBAGLBSA-N 1 0 305.249 3.691 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000274824318 130264950 /nfs/dbraw/zinc/26/49/50/130264950.db2.gz ZFHCDJPPFVWKAF-AWEZNQCLSA-N 1 0 308.441 3.628 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)cn1 ZINC000274915489 130272997 /nfs/dbraw/zinc/27/29/97/130272997.db2.gz OEWBEWQJDGWDCJ-CYBMUJFWSA-N 1 0 315.848 3.968 20 10 DHCDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275059189 130288476 /nfs/dbraw/zinc/28/84/76/130288476.db2.gz PAFGUEOBIIFJEJ-LPHOPBHVSA-N 1 0 311.425 3.700 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncc(F)c1 ZINC000275168954 130294861 /nfs/dbraw/zinc/29/48/61/130294861.db2.gz WQNUBFRNYCXZMI-UHFFFAOYSA-N 1 0 313.420 3.843 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCSC2)c1O ZINC000275158287 130295157 /nfs/dbraw/zinc/29/51/57/130295157.db2.gz AAOIKRLMQYYGAT-ONGXEEELSA-N 1 0 316.264 3.619 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1F ZINC000283990345 131038663 /nfs/dbraw/zinc/03/86/63/131038663.db2.gz HGWYHTAPIGTQLD-SFHVURJKSA-N 1 0 314.404 3.765 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000284083662 131047354 /nfs/dbraw/zinc/04/73/54/131047354.db2.gz LXPBZCYDVFHIKK-MRXNPFEDSA-N 1 0 301.434 3.563 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000284195566 131057298 /nfs/dbraw/zinc/05/72/98/131057298.db2.gz RWLOFQOGFPJIHT-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c(O)c1 ZINC000284872466 131118787 /nfs/dbraw/zinc/11/87/87/131118787.db2.gz AYWIPXKOSZPOQI-ZDUSSCGKSA-N 1 0 304.821 3.951 20 10 DHCDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000286375052 131233059 /nfs/dbraw/zinc/23/30/59/131233059.db2.gz AINQRGYTRMQQKC-ZDUSSCGKSA-N 1 0 314.385 3.730 20 10 DHCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCCC2)cc1 ZINC000289598056 131399567 /nfs/dbraw/zinc/39/95/67/131399567.db2.gz CLKVWWRZBUYGAH-MRXNPFEDSA-N 1 0 312.461 3.683 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473600 132017210 /nfs/dbraw/zinc/01/72/10/132017210.db2.gz YSRMJSHMOTYEFG-WMLDXEAASA-N 1 0 319.408 3.916 20 10 DHCDRO CCOc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1OC ZINC000297498179 132019223 /nfs/dbraw/zinc/01/92/23/132019223.db2.gz BVHPLPKLPAVEHI-HNNXBMFYSA-N 1 0 313.397 3.577 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000128933465 332015817 /nfs/dbraw/zinc/01/58/17/332015817.db2.gz ICLBLODCFWGAMS-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO OCC1([C@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)CCC1 ZINC000293816340 335117367 /nfs/dbraw/zinc/11/73/67/335117367.db2.gz FMPZVVGCDCJYAS-GOSISDBHSA-N 1 0 315.388 3.525 20 10 DHCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185396053 333208125 /nfs/dbraw/zinc/20/81/25/333208125.db2.gz QQYVFIHGNUCMBA-LBPRGKRZSA-N 1 0 314.429 3.769 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000295046579 335130112 /nfs/dbraw/zinc/13/01/12/335130112.db2.gz NCOBYPCJFKMHLQ-INIZCTEOSA-N 1 0 305.805 3.519 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000121094171 333321418 /nfs/dbraw/zinc/32/14/18/333321418.db2.gz JPPVFBQHCYKPTC-IBGZPJMESA-N 1 0 321.424 3.878 20 10 DHCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185605722 333370365 /nfs/dbraw/zinc/37/03/65/333370365.db2.gz OXZNEEIXSDTLSY-LSDHHAIUSA-N 1 0 301.430 3.995 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000296004977 335139492 /nfs/dbraw/zinc/13/94/92/335139492.db2.gz MAYBLWUSKRNUCZ-INIZCTEOSA-N 1 0 305.443 3.612 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c(O)c1 ZINC000320209613 333453314 /nfs/dbraw/zinc/45/33/14/333453314.db2.gz JBQXDNYEUAHKRI-AWEZNQCLSA-N 1 0 307.397 3.942 20 10 DHCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000296462464 335142304 /nfs/dbraw/zinc/14/23/04/335142304.db2.gz NJFUSJGGPGWKEC-CVEARBPZSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296546248 335146074 /nfs/dbraw/zinc/14/60/74/335146074.db2.gz REVUPAMSWXYLFW-HOTGVXAUSA-N 1 0 304.478 3.877 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000272870042 334040473 /nfs/dbraw/zinc/04/04/73/334040473.db2.gz OPFFTAIVQNFJCP-NFOMZHRRSA-N 1 0 319.445 3.943 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1[O-] ZINC000282803706 334137325 /nfs/dbraw/zinc/13/73/25/334137325.db2.gz QYQJXEJZGNLRQB-SMDDNHRTSA-N 1 0 311.372 3.670 20 10 DHCDRO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000286847339 334154809 /nfs/dbraw/zinc/15/48/09/334154809.db2.gz AEBFXUYNKFTDJA-QGZVFWFLSA-N 1 0 322.880 3.961 20 10 DHCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000295076412 334217596 /nfs/dbraw/zinc/21/75/96/334217596.db2.gz SSBWJJFBWWIWER-INIZCTEOSA-N 1 0 324.472 3.669 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)C3(C)CC3)cc2)CC1 ZINC000295079394 334217714 /nfs/dbraw/zinc/21/77/14/334217714.db2.gz RAOAFDQGWLRBSX-INIZCTEOSA-N 1 0 316.489 3.922 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367056899 335607438 /nfs/dbraw/zinc/60/74/38/335607438.db2.gz CVTODJYPRWSQQX-RHSMWYFYSA-N 1 0 312.413 3.612 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c(OC)c1 ZINC000042230691 336239254 /nfs/dbraw/zinc/23/92/54/336239254.db2.gz ZXJUTVUAUZXURN-AWEZNQCLSA-N 1 0 315.413 3.872 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000192936131 336285334 /nfs/dbraw/zinc/28/53/34/336285334.db2.gz JTGFMKWWZZCXOP-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000363157788 336819448 /nfs/dbraw/zinc/81/94/48/336819448.db2.gz NJBDFYWSZNEHCT-LBPRGKRZSA-N 1 0 310.388 3.645 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000368851109 336853994 /nfs/dbraw/zinc/85/39/94/336853994.db2.gz OLXAOLWNIDWSIE-QGZVFWFLSA-N 1 0 323.396 3.929 20 10 DHCDRO CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C)cc1O ZINC000373522710 336963586 /nfs/dbraw/zinc/96/35/86/336963586.db2.gz NWUVLYKIZOBXPY-LEOMRAHMSA-N 1 0 302.462 3.758 20 10 DHCDRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000374285766 336985981 /nfs/dbraw/zinc/98/59/81/336985981.db2.gz VFSLNFDECSQNQR-UHFFFAOYSA-N 1 0 309.409 3.796 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c(O)c1C ZINC000375234181 337006284 /nfs/dbraw/zinc/00/62/84/337006284.db2.gz PMWDVVBHEKGSQQ-GJZGRUSLSA-N 1 0 324.424 3.786 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256591 337006604 /nfs/dbraw/zinc/00/66/04/337006604.db2.gz SUJQRTGGXMKBLT-QUCCMNQESA-N 1 0 309.409 3.975 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375302884 337007545 /nfs/dbraw/zinc/00/75/45/337007545.db2.gz MDUVUIKJDDXBKA-UHFFFAOYSA-N 1 0 300.377 3.556 20 10 DHCDRO OC[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)c2ccccc21 ZINC000376957260 337044178 /nfs/dbraw/zinc/04/41/78/337044178.db2.gz JMBQRMVAGREVJF-FOIQADDNSA-N 1 0 319.404 3.856 20 10 DHCDRO COc1cccc(C[N@@H+]2CCSC[C@@H]2c2cccs2)c1O ZINC000377251313 337049443 /nfs/dbraw/zinc/04/94/43/337049443.db2.gz PXTPPXHJJBQZSF-CYBMUJFWSA-N 1 0 321.467 3.752 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377641771 337057177 /nfs/dbraw/zinc/05/71/77/337057177.db2.gz AVBUBJAKGIZWHX-RISCZKNCSA-N 1 0 304.415 3.755 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695787 337058828 /nfs/dbraw/zinc/05/88/28/337058828.db2.gz IJNLBZSDBITIPL-CGTJXYLNSA-N 1 0 315.388 3.790 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Nc2nccs2)CC1 ZINC000377717807 337059569 /nfs/dbraw/zinc/05/95/69/337059569.db2.gz OAHYNNBJWIAVIP-OAHLLOKOSA-N 1 0 317.458 3.876 20 10 DHCDRO Cc1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1O ZINC000378439933 337072822 /nfs/dbraw/zinc/07/28/22/337072822.db2.gz XEHONCGLRCEKOB-UHFFFAOYSA-N 1 0 309.409 3.722 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1O ZINC000378624641 337076955 /nfs/dbraw/zinc/07/69/55/337076955.db2.gz NVAYZPFANFXEBF-JSGCOSHPSA-N 1 0 318.367 3.600 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000378633415 337077192 /nfs/dbraw/zinc/07/71/92/337077192.db2.gz MZISYZLMVAUSIS-CQSZACIVSA-N 1 0 316.470 3.769 20 10 DHCDRO Cc1cc(C=C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000360040970 337084243 /nfs/dbraw/zinc/08/42/43/337084243.db2.gz OVCOZUBXUPBGBI-UHFFFAOYSA-N 1 0 311.429 3.728 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc(C)s3)C2)c1O ZINC000360075872 337084994 /nfs/dbraw/zinc/08/49/94/337084994.db2.gz NXZMXCXAADRUCO-CQSZACIVSA-N 1 0 318.442 3.545 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H]2C[C@]2(C)c2cccs2)c1O ZINC000360091363 337085091 /nfs/dbraw/zinc/08/50/91/337085091.db2.gz CHRGRESGAMAIFT-DYVFJYSZSA-N 1 0 303.427 3.530 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339131 337191284 /nfs/dbraw/zinc/19/12/84/337191284.db2.gz DLODATFYCJUOHX-YOEHRIQHSA-N 1 0 322.412 3.775 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000188877219 337275904 /nfs/dbraw/zinc/27/59/04/337275904.db2.gz OSCAIXWGBIQEDS-QGZVFWFLSA-N 1 0 313.397 3.713 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1O ZINC000188879222 337275990 /nfs/dbraw/zinc/27/59/90/337275990.db2.gz WGWVRUZGGULIKR-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000261761360 337609974 /nfs/dbraw/zinc/60/99/74/337609974.db2.gz MMHIPTQZUZHHQY-ZDUSSCGKSA-N 1 0 324.428 3.603 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1F ZINC000475203693 339441368 /nfs/dbraw/zinc/44/13/68/339441368.db2.gz PSHUMFAXDZWYQR-UHFFFAOYSA-N 1 0 312.388 3.924 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc3cccnc32)c1 ZINC000273380865 341635359 /nfs/dbraw/zinc/63/53/59/341635359.db2.gz IFSCAVHFNMAQCC-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2cccc(F)c2)c1 ZINC000124660891 521148918 /nfs/dbraw/zinc/14/89/18/521148918.db2.gz HWUOWADBEYFWTK-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1O ZINC000121081299 522871947 /nfs/dbraw/zinc/87/19/47/522871947.db2.gz QHNXXORSNJUCQZ-OAHLLOKOSA-N 1 0 316.357 3.550 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000157458097 522954510 /nfs/dbraw/zinc/95/45/10/522954510.db2.gz CBDRYYUHWUMERX-MVJTYMMSSA-N 1 0 301.430 3.781 20 10 DHCDRO COc1ccccc1C[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000130172300 524443147 /nfs/dbraw/zinc/44/31/47/524443147.db2.gz AJYLEJNNSHCBLS-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-n2ccnc2)c1 ZINC000266149558 525526805 /nfs/dbraw/zinc/52/68/05/525526805.db2.gz JUCHNSSABCECSL-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO C[C@@H](O)[C@](C)(C[NH2+][C@H](C)c1ccccc1O)Cc1ccccc1 ZINC000188914701 525864455 /nfs/dbraw/zinc/86/44/55/525864455.db2.gz CBZPGFPFLCVYDZ-QINHECLXSA-N 1 0 313.441 3.673 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cnn1C(C)C ZINC000191240311 525896435 /nfs/dbraw/zinc/89/64/35/525896435.db2.gz BHSZHUPRLHQIMG-CYBMUJFWSA-N 1 0 318.440 3.828 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)c(O)c1 ZINC000192931244 525919300 /nfs/dbraw/zinc/91/93/00/525919300.db2.gz GAJZLKQJRTZZNJ-HNNXBMFYSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1O ZINC000367718816 526039964 /nfs/dbraw/zinc/03/99/64/526039964.db2.gz GDQRSRGIYRWIJH-YOEHRIQHSA-N 1 0 312.413 3.612 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102393253 526355941 /nfs/dbraw/zinc/35/59/41/526355941.db2.gz QUBXIHOFEANHFZ-INIZCTEOSA-N 1 0 307.397 3.579 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1O ZINC000274787300 535941940 /nfs/dbraw/zinc/94/19/40/535941940.db2.gz QPJAMTBZEWWTSL-LEXZLQQCSA-N 1 0 317.454 3.932 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccccc1O ZINC000155237412 1013316177 /nfs/dbraw/zinc/31/61/77/1013316177.db2.gz ULNDUROCZORQRY-QGZVFWFLSA-N 1 0 322.412 3.522 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000894502405 1013396585 /nfs/dbraw/zinc/39/65/85/1013396585.db2.gz RGNJSPVAUKFGNP-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1O ZINC000894535945 1013411506 /nfs/dbraw/zinc/41/15/06/1013411506.db2.gz ZCSVMTZMPUHFLY-GFCCVEGCSA-N 1 0 305.340 3.776 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2cccc3[nH]ccc32)c1O ZINC000894669822 1013447080 /nfs/dbraw/zinc/44/70/80/1013447080.db2.gz AMYBGMURYICSLP-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1C ZINC000398178135 1014313418 /nfs/dbraw/zinc/31/34/18/1014313418.db2.gz GWBVIQIFMJWJDD-PXNSSMCTSA-N 1 0 324.468 3.756 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)C=CC4)cc2)CC1 ZINC001167434909 1014355059 /nfs/dbraw/zinc/35/50/59/1014355059.db2.gz ZCJUPBNHJKMQCJ-UHFFFAOYSA-N 1 0 319.452 3.620 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000178995280 1014409720 /nfs/dbraw/zinc/40/97/20/1014409720.db2.gz WQFYYSRAFVRYNS-LJQANCHMSA-N 1 0 310.441 3.592 20 10 DHCDRO C[N@H+](CC[C@H]1CCOC1)Cc1ccc(N2CCCCC2)cc1 ZINC000783498982 1014544909 /nfs/dbraw/zinc/54/49/09/1014544909.db2.gz ZDNYRMIZPWZDST-SFHVURJKSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1ccccc1CC[NH2+]Cc1c(O)cccc1Br ZINC000706808344 1014587955 /nfs/dbraw/zinc/58/79/55/1014587955.db2.gz KDPHBJJCLJNDPT-UHFFFAOYSA-N 1 0 320.230 3.795 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000276041770 1014589030 /nfs/dbraw/zinc/58/90/30/1014589030.db2.gz SSTNCQRYUSFSBV-IBGZPJMESA-N 1 0 311.425 3.652 20 10 DHCDRO C[C@H]([NH2+]CCc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000846861335 1032096719 /nfs/dbraw/zinc/09/67/19/1032096719.db2.gz PTLXRRXTCVPENX-AWEZNQCLSA-N 1 0 309.413 3.787 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156961979 1014648163 /nfs/dbraw/zinc/64/81/63/1014648163.db2.gz BUJVLWLFLSFGLA-AEFFLSMTSA-N 1 0 318.486 3.763 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000706842135 1014652591 /nfs/dbraw/zinc/65/25/91/1014652591.db2.gz OAMLCHAHNUUBDB-VIFPVBQESA-N 1 0 320.177 3.822 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000783504621 1014690792 /nfs/dbraw/zinc/69/07/92/1014690792.db2.gz HRXSXRXBTOZDQN-UONOGXRCSA-N 1 0 313.397 3.793 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCCO1 ZINC000070975725 1014815399 /nfs/dbraw/zinc/81/53/99/1014815399.db2.gz KAXMRJYRLQCRHG-INIZCTEOSA-N 1 0 301.386 3.557 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)ccn1 ZINC000834859577 1014822185 /nfs/dbraw/zinc/82/21/85/1014822185.db2.gz DRYCRIMCEOJWMK-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)s2)c1 ZINC000071408187 1014828699 /nfs/dbraw/zinc/82/86/99/1014828699.db2.gz PKXZZIUALWQZNJ-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1F ZINC000895200545 1014937384 /nfs/dbraw/zinc/93/73/84/1014937384.db2.gz RQRCWAWMHJTNIC-OAHLLOKOSA-N 1 0 319.376 3.789 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2CCC3(CC3(F)F)CC2)c1O ZINC000895280574 1015013986 /nfs/dbraw/zinc/01/39/86/1015013986.db2.gz WKJMKYMRXZODLY-UHFFFAOYSA-N 1 0 311.372 3.767 20 10 DHCDRO Oc1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000076399606 1015114199 /nfs/dbraw/zinc/11/41/99/1015114199.db2.gz FQSAOUZGDQZISA-UHFFFAOYSA-N 1 0 318.214 3.934 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000895447574 1015157205 /nfs/dbraw/zinc/15/72/05/1015157205.db2.gz OTBKGDGPWNZOIV-KRWDZBQOSA-N 1 0 319.445 3.538 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1O ZINC000895465322 1015169738 /nfs/dbraw/zinc/16/97/38/1015169738.db2.gz AYQJWVLMEODPKI-LBPRGKRZSA-N 1 0 312.369 3.701 20 10 DHCDRO Cc1csc(C[C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000895824267 1015319934 /nfs/dbraw/zinc/31/99/34/1015319934.db2.gz YTXURCHXZMWJHB-CQSZACIVSA-N 1 0 302.443 3.612 20 10 DHCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140461222 1015430356 /nfs/dbraw/zinc/43/03/56/1015430356.db2.gz HKMUKJOLMZJAAH-UHFFFAOYSA-N 1 0 318.848 3.609 20 10 DHCDRO CCN(CC)c1ccc(CNC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000320246196 1015468157 /nfs/dbraw/zinc/46/81/57/1015468157.db2.gz ZHRPBUUHLFQNHU-HXUWFJFHSA-N 1 0 317.521 3.743 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178229115 1015492030 /nfs/dbraw/zinc/49/20/30/1015492030.db2.gz QOIDQMYPCSWBOX-HUUCEWRRSA-N 1 0 320.452 3.892 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896228880 1015514409 /nfs/dbraw/zinc/51/44/09/1015514409.db2.gz VKEBVUQTQZOMGU-LBPRGKRZSA-N 1 0 323.717 3.912 20 10 DHCDRO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000896387852 1015567424 /nfs/dbraw/zinc/56/74/24/1015567424.db2.gz JNSPEZIPFUBNEW-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cc(F)ccc1OC ZINC000896688437 1015704456 /nfs/dbraw/zinc/70/44/56/1015704456.db2.gz LRHNHDWFSKPDQB-HNNXBMFYSA-N 1 0 307.340 3.920 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1cc(F)ccc1OC ZINC000896688230 1015704829 /nfs/dbraw/zinc/70/48/29/1015704829.db2.gz ITUUIIDHRKVWJZ-INIZCTEOSA-N 1 0 319.376 3.789 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1C ZINC000896804418 1015746815 /nfs/dbraw/zinc/74/68/15/1015746815.db2.gz XADAIGDBYJZTSK-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccccc1O ZINC000277097129 1015871506 /nfs/dbraw/zinc/87/15/06/1015871506.db2.gz GULJBDKSKXWBRT-SGMGOOAPSA-N 1 0 302.422 3.826 20 10 DHCDRO Cc1ccccc1CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000022815139 1016061113 /nfs/dbraw/zinc/06/11/13/1016061113.db2.gz MDDOQKUYUHPROZ-UHFFFAOYSA-N 1 0 324.468 3.635 20 10 DHCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000040997528 1016073220 /nfs/dbraw/zinc/07/32/20/1016073220.db2.gz MPYJKOFZIBLQPW-UHFFFAOYSA-N 1 0 301.459 3.732 20 10 DHCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234228 1016090725 /nfs/dbraw/zinc/09/07/25/1016090725.db2.gz MPBFERVZEQOQAA-RWMBFGLXSA-N 1 0 302.422 3.744 20 10 DHCDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c(O)c1OC ZINC000892036764 1016141204 /nfs/dbraw/zinc/14/12/04/1016141204.db2.gz QADKMFAKQUHHSP-NFAWXSAZSA-N 1 0 305.418 3.562 20 10 DHCDRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1O ZINC000184835264 1016389135 /nfs/dbraw/zinc/38/91/35/1016389135.db2.gz LTICMHLIEYOKGQ-YVEFUNNKSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(Br)cn1 ZINC000281199222 1016396754 /nfs/dbraw/zinc/39/67/54/1016396754.db2.gz RVLQJULTVODPOW-QWRGUYRKSA-N 1 0 321.218 3.962 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(F)ccc1O ZINC000185006299 1016494686 /nfs/dbraw/zinc/49/46/86/1016494686.db2.gz OAHFVOVSKNDVOG-AWEZNQCLSA-N 1 0 314.404 3.982 20 10 DHCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000185033851 1016524710 /nfs/dbraw/zinc/52/47/10/1016524710.db2.gz SFEYHNRYNCQKNB-CABCVRRESA-N 1 0 308.441 3.837 20 10 DHCDRO C[C@@H]([NH2+]CCCOCCc1ccccc1)c1cc(F)ccc1O ZINC000185080796 1016535249 /nfs/dbraw/zinc/53/52/49/1016535249.db2.gz QBCPSHIXXRDEHC-OAHLLOKOSA-N 1 0 317.404 3.831 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(O)c1 ZINC000185233786 1016776214 /nfs/dbraw/zinc/77/62/14/1016776214.db2.gz KXTPIQOBAOIUEI-OAHLLOKOSA-N 1 0 310.441 3.934 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000277654671 1016853980 /nfs/dbraw/zinc/85/39/80/1016853980.db2.gz ZJSGKHVQMSFSBH-UHFFFAOYSA-N 1 0 302.443 3.845 20 10 DHCDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1cc2c(cc1O)CCCC2 ZINC000185537524 1016991830 /nfs/dbraw/zinc/99/18/30/1016991830.db2.gz SXWAEJVWAGMBSR-CQSZACIVSA-N 1 0 305.462 3.720 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185578758 1017028067 /nfs/dbraw/zinc/02/80/67/1017028067.db2.gz LLIKUGDAIZONHZ-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000294792428 1032156107 /nfs/dbraw/zinc/15/61/07/1032156107.db2.gz VHPXJGVZPMFYEE-OAHLLOKOSA-N 1 0 313.800 3.624 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294823728 1032169794 /nfs/dbraw/zinc/16/97/94/1032169794.db2.gz QPSILWZZZVFQPM-AWEZNQCLSA-N 1 0 315.461 3.718 20 10 DHCDRO Cc1sccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000294859262 1032186334 /nfs/dbraw/zinc/18/63/34/1032186334.db2.gz JHNRFJYKRLJSPB-UHFFFAOYSA-N 1 0 316.470 3.525 20 10 DHCDRO CCCN(Cc1nnc(C(C)C)s1)Cc1ccccc1O ZINC000294883003 1032191459 /nfs/dbraw/zinc/19/14/59/1032191459.db2.gz FQKWTPMVEAZWGJ-UHFFFAOYSA-N 1 0 305.447 3.779 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)c1O ZINC000362042825 1032206145 /nfs/dbraw/zinc/20/61/45/1032206145.db2.gz CQDCLZWJEINAIH-QGZVFWFLSA-N 1 0 313.445 3.685 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000475197143 1017073338 /nfs/dbraw/zinc/07/33/38/1017073338.db2.gz LRJPSOXGWRFRME-HNAYVOBHSA-N 1 0 300.446 3.780 20 10 DHCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccccc1O)CC2 ZINC001171295159 1032270668 /nfs/dbraw/zinc/27/06/68/1032270668.db2.gz UUFSIXVDJSOJFU-CYBMUJFWSA-N 1 0 317.816 3.701 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc2c(cc1O)CCCC2 ZINC000185670209 1017090316 /nfs/dbraw/zinc/09/03/16/1017090316.db2.gz GUJPDKPVQVXSBD-DOMZBBRYSA-N 1 0 323.527 3.770 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001171343931 1032493331 /nfs/dbraw/zinc/49/33/31/1032493331.db2.gz MOIYDVMVNUXLNH-GOSISDBHSA-N 1 0 304.503 3.860 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)c(O)c1 ZINC001171356239 1032514657 /nfs/dbraw/zinc/51/46/57/1032514657.db2.gz YPRMSUKWBMMOLY-HNNXBMFYSA-N 1 0 317.379 3.934 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773113234 1032564807 /nfs/dbraw/zinc/56/48/07/1032564807.db2.gz COAKIXXOMNFOAQ-DQLDELGASA-N 1 0 323.484 3.849 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(N(C)C)cc1 ZINC000773142442 1032573887 /nfs/dbraw/zinc/57/38/87/1032573887.db2.gz ZPDHBXCSILDXPM-WBQNTZJQSA-N 1 0 322.543 3.783 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000160148912 1011900215 /nfs/dbraw/zinc/90/02/15/1011900215.db2.gz OSXDTRSWQJQKGA-CABCVRRESA-N 1 0 300.402 3.528 20 10 DHCDRO C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000715507499 1032624022 /nfs/dbraw/zinc/62/40/22/1032624022.db2.gz GZYYGRGCQCODQZ-UHFFFAOYSA-N 1 0 317.260 3.661 20 10 DHCDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1O ZINC000037000053 1032628776 /nfs/dbraw/zinc/62/87/76/1032628776.db2.gz PCGMGBNVFKPSKN-GFCCVEGCSA-N 1 0 320.230 3.876 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000037092455 1012818098 /nfs/dbraw/zinc/81/80/98/1012818098.db2.gz XPCXZHCUUUCQPM-UHFFFAOYSA-N 1 0 303.324 3.612 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000037141962 1012839022 /nfs/dbraw/zinc/83/90/22/1012839022.db2.gz ZGMDALFVVCIYEA-VXGBXAGGSA-N 1 0 303.324 3.612 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)c1O ZINC000185796600 1017200182 /nfs/dbraw/zinc/20/01/82/1017200182.db2.gz CBCNKWMYKRZBGJ-AWEZNQCLSA-N 1 0 317.454 3.980 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000163229273 1017279455 /nfs/dbraw/zinc/27/94/55/1017279455.db2.gz WXQRNYZIAVUYRH-UXHICEINSA-N 1 0 312.457 3.835 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)cc1F ZINC001168069448 1017395269 /nfs/dbraw/zinc/39/52/69/1017395269.db2.gz WVNMUAGKKYUFBF-HOTGVXAUSA-N 1 0 320.452 3.783 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926911096 1032698704 /nfs/dbraw/zinc/69/87/04/1032698704.db2.gz LIXFFVYNRGUECE-WDMOLILDSA-N 1 0 303.324 3.543 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921527 1017483889 /nfs/dbraw/zinc/48/38/89/1017483889.db2.gz VEVKZOLFICSJRA-KBPBESRZSA-N 1 0 309.837 3.603 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171461807 1032722716 /nfs/dbraw/zinc/72/27/16/1032722716.db2.gz ASPMHBKNVKEVFN-MRXNPFEDSA-N 1 0 316.395 3.678 20 10 DHCDRO CSC1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000701058569 1017997211 /nfs/dbraw/zinc/99/72/11/1017997211.db2.gz OVMBBALWYMHNSQ-UHFFFAOYSA-N 1 0 316.264 3.530 20 10 DHCDRO Nc1ccc(CC[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC000841036561 1018092503 /nfs/dbraw/zinc/09/25/03/1018092503.db2.gz VMTFGYMLYDOAHO-UHFFFAOYSA-N 1 0 308.397 3.916 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](C)F)c1cc(Br)ccc1O ZINC000702632897 1018222559 /nfs/dbraw/zinc/22/25/59/1018222559.db2.gz KVDNIECDICWUAQ-CABZTGNLSA-N 1 0 304.203 3.944 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000764669397 1018344204 /nfs/dbraw/zinc/34/42/04/1018344204.db2.gz NMGHCDRAMZMRDQ-MRXNPFEDSA-N 1 0 312.457 3.963 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090678 1032763100 /nfs/dbraw/zinc/76/31/00/1032763100.db2.gz PWQXTRZXLWXNTF-UHFFFAOYSA-N 1 0 308.347 3.768 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CCO2 ZINC000187587293 1018433588 /nfs/dbraw/zinc/43/35/88/1018433588.db2.gz CBVGTEYFMOTABZ-INIZCTEOSA-N 1 0 317.360 3.543 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000765083273 1018467990 /nfs/dbraw/zinc/46/79/90/1018467990.db2.gz ZJIAGBUFMXCLSX-SFHVURJKSA-N 1 0 304.503 3.764 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cnn1C(C)C ZINC000191129565 1018495511 /nfs/dbraw/zinc/49/55/11/1018495511.db2.gz QUJFNAOLOIIYBP-AWEZNQCLSA-N 1 0 300.450 3.689 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858109076 1032768131 /nfs/dbraw/zinc/76/81/31/1032768131.db2.gz MHGXKGCVQMTYIN-UHFFFAOYSA-N 1 0 320.383 3.719 20 10 DHCDRO CN(C)c1cc(F)c(CNc2cccc(C[NH+](C)C)c2)cc1F ZINC000858103675 1032768328 /nfs/dbraw/zinc/76/83/28/1032768328.db2.gz UDCBKRUPGBDSMQ-UHFFFAOYSA-N 1 0 319.399 3.705 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000858122813 1032773645 /nfs/dbraw/zinc/77/36/45/1032773645.db2.gz JPPVQXCAAFXFBE-UAOJZALGSA-N 1 0 314.473 3.688 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000765262669 1018734237 /nfs/dbraw/zinc/73/42/37/1018734237.db2.gz XJVCACJZXHABPD-SCLBCKFNSA-N 1 0 318.848 3.790 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765333204 1018759284 /nfs/dbraw/zinc/75/92/84/1018759284.db2.gz KJXYQBMBTZUMKR-HZPDHXFCSA-N 1 0 310.441 3.655 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC000858143992 1032781237 /nfs/dbraw/zinc/78/12/37/1032781237.db2.gz DBMNVJFIMHQVFY-CQSZACIVSA-N 1 0 321.218 3.791 20 10 DHCDRO CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765403329 1018777511 /nfs/dbraw/zinc/77/75/11/1018777511.db2.gz NANFYVHFIGAQFO-NRFANRHFSA-N 1 0 323.484 3.809 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000765442093 1018791565 /nfs/dbraw/zinc/79/15/65/1018791565.db2.gz RHIKLBCXCAJCEX-DLBZAZTESA-N 1 0 303.494 3.524 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1F ZINC000858161466 1032786419 /nfs/dbraw/zinc/78/64/19/1032786419.db2.gz RCYWVZUDWIUGIY-SNVBAGLBSA-N 1 0 304.331 3.556 20 10 DHCDRO c1csc(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000278577564 1018861679 /nfs/dbraw/zinc/86/16/79/1018861679.db2.gz OLLSUQMVIRKZHF-OAHLLOKOSA-N 1 0 320.483 3.526 20 10 DHCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921836640 1018930631 /nfs/dbraw/zinc/93/06/31/1018930631.db2.gz BVENAVJFSPLVDK-GOSISDBHSA-N 1 0 309.409 3.797 20 10 DHCDRO CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765625337 1019012217 /nfs/dbraw/zinc/01/22/17/1019012217.db2.gz XHIGNICDKUQGFR-INIZCTEOSA-N 1 0 321.484 3.807 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000858205265 1032803361 /nfs/dbraw/zinc/80/33/61/1032803361.db2.gz UOULHGNZMUJYSN-IXDOHACOSA-N 1 0 314.473 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765682154 1019044639 /nfs/dbraw/zinc/04/46/39/1019044639.db2.gz KWTBBCWJZTWYSH-OALUTQOASA-N 1 0 304.478 3.735 20 10 DHCDRO CS[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134937348 1019051043 /nfs/dbraw/zinc/05/10/43/1019051043.db2.gz SSEHJMSMWCPMPV-RKDXNWHRSA-N 1 0 304.253 3.557 20 10 DHCDRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134937304 1019051696 /nfs/dbraw/zinc/05/16/96/1019051696.db2.gz SSEHJMSMWCPMPV-BDAKNGLRSA-N 1 0 304.253 3.557 20 10 DHCDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921923254 1019117450 /nfs/dbraw/zinc/11/74/50/1019117450.db2.gz DXGCNOOQALCDTO-LBPRGKRZSA-N 1 0 300.402 3.510 20 10 DHCDRO CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)c(F)cc1OC ZINC000858239471 1032812647 /nfs/dbraw/zinc/81/26/47/1032812647.db2.gz NYVLIQJTHYVIFX-UHFFFAOYSA-N 1 0 319.376 3.537 20 10 DHCDRO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]2CCOC2)cc1 ZINC000921961629 1019222579 /nfs/dbraw/zinc/22/25/79/1019222579.db2.gz WFBOYQMNIQTOSG-TZIWHRDSSA-N 1 0 323.436 3.879 20 10 DHCDRO CCOc1cccc(C[NH2+]CC(C)(C)C(F)(F)CC)c1O ZINC000858271017 1032827119 /nfs/dbraw/zinc/82/71/19/1032827119.db2.gz TYPPBCLTUHMSQO-UHFFFAOYSA-N 1 0 301.377 3.952 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000858275263 1032828009 /nfs/dbraw/zinc/82/80/09/1032828009.db2.gz DPOWLVZKKMHNAV-OAHLLOKOSA-N 1 0 303.789 3.831 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858299190 1032835374 /nfs/dbraw/zinc/83/53/74/1032835374.db2.gz QPWUWUJZTFFSER-ICSRJNTNSA-N 1 0 309.409 3.716 20 10 DHCDRO CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000021027286 1032841826 /nfs/dbraw/zinc/84/18/26/1032841826.db2.gz LLYIVJJDGOGUSQ-UHFFFAOYSA-N 1 0 305.249 3.521 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186916 1019641556 /nfs/dbraw/zinc/64/15/56/1019641556.db2.gz JWXBHDIKUAYQFX-BONVTDFDSA-N 1 0 304.390 3.808 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186948 1019643106 /nfs/dbraw/zinc/64/31/06/1019643106.db2.gz JWXBHDIKUAYQFX-BMIGLBTASA-N 1 0 304.390 3.808 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1 ZINC000186189174 1019650762 /nfs/dbraw/zinc/65/07/62/1019650762.db2.gz ISXCSOSQRTWSAV-ZAAXVRCTSA-N 1 0 310.441 3.797 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1C ZINC000727432103 1019713999 /nfs/dbraw/zinc/71/39/99/1019713999.db2.gz ZWGJIADZDHOLNW-OXQOHEQNSA-N 1 0 311.425 3.971 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4c3cccc4F)ccc21 ZINC000727644330 1019744726 /nfs/dbraw/zinc/74/47/26/1019744726.db2.gz AMIXKOUMZQZFNJ-LJQANCHMSA-N 1 0 310.416 3.985 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000186515658 1019796118 /nfs/dbraw/zinc/79/61/18/1019796118.db2.gz JJYWLOUURKABSS-RHSMWYFYSA-N 1 0 303.446 3.881 20 10 DHCDRO Oc1cc2c(cc1C[N@H+](CC1CC1)C1CCCCC1)OCO2 ZINC000727825249 1019821145 /nfs/dbraw/zinc/82/11/45/1019821145.db2.gz ONTBESYFKGAJBS-UHFFFAOYSA-N 1 0 303.402 3.666 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129913408 1032862458 /nfs/dbraw/zinc/86/24/58/1032862458.db2.gz TUHMNSUVNDXGFT-GOSISDBHSA-N 1 0 314.473 3.678 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1c(OC)cc(C)cc1OC ZINC001143143886 1019989155 /nfs/dbraw/zinc/98/91/55/1019989155.db2.gz BFZZBNCMJGAPEW-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001171773377 1032871794 /nfs/dbraw/zinc/87/17/94/1032871794.db2.gz KCIMBFFPSVXMHK-QGZVFWFLSA-N 1 0 310.416 3.683 20 10 DHCDRO CN(CC[N@H+](C)Cc1c(O)ccc2ccncc21)c1ccccc1 ZINC000730804776 1020030430 /nfs/dbraw/zinc/03/04/30/1020030430.db2.gz ZTMZZVYAWQBYHT-UHFFFAOYSA-N 1 0 321.424 3.509 20 10 DHCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000765991282 1020103172 /nfs/dbraw/zinc/10/31/72/1020103172.db2.gz CSCFUWPVBJHIQQ-HNNXBMFYSA-N 1 0 312.461 3.813 20 10 DHCDRO Oc1ccc(Cl)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000922525275 1020113522 /nfs/dbraw/zinc/11/35/22/1020113522.db2.gz KWNNJLLNSDVEDS-XJKSGUPXSA-N 1 0 307.752 3.607 20 10 DHCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cnn1C ZINC001117503426 1020180420 /nfs/dbraw/zinc/18/04/20/1020180420.db2.gz GYRJRBBMDZXBPT-GHMZBOCLSA-N 1 0 307.825 3.808 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1C ZINC000922695260 1020223430 /nfs/dbraw/zinc/22/34/30/1020223430.db2.gz MVCVGVRIGSVDIX-DZGCQCFKSA-N 1 0 317.351 3.599 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ncc(C)cc2C)ccc1OC ZINC000922746651 1020246619 /nfs/dbraw/zinc/24/66/19/1020246619.db2.gz XFPZMYHSXYKXFP-UHFFFAOYSA-N 1 0 314.429 3.533 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000766004486 1020327643 /nfs/dbraw/zinc/32/76/43/1020327643.db2.gz DCJDLDQBFYCFIG-OAHLLOKOSA-N 1 0 304.478 3.936 20 10 DHCDRO Cc1ccc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000733322168 1020370635 /nfs/dbraw/zinc/37/06/35/1020370635.db2.gz AZEPHIRWBWCGHV-UHFFFAOYSA-N 1 0 316.420 3.677 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCCc2ccccc21 ZINC000733325900 1020371233 /nfs/dbraw/zinc/37/12/33/1020371233.db2.gz XBTGYDQPRAODGQ-UHFFFAOYSA-N 1 0 316.832 3.588 20 10 DHCDRO CCN(CC)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccco1 ZINC000733326068 1020372978 /nfs/dbraw/zinc/37/29/78/1020372978.db2.gz HDFVIDHUUBIFKX-HNNXBMFYSA-N 1 0 322.836 3.811 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1 ZINC000733327904 1020373316 /nfs/dbraw/zinc/37/33/16/1020373316.db2.gz FIYMEINHQJKILQ-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(C)ccc3O)c2c1 ZINC000733328235 1020374884 /nfs/dbraw/zinc/37/48/84/1020374884.db2.gz SACWTIWGZZTSIV-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO Cc1ccc(OCCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733327463 1020375201 /nfs/dbraw/zinc/37/52/01/1020375201.db2.gz RNQPCAMJUCVAHF-UHFFFAOYSA-N 1 0 305.805 3.913 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CC3(C)C)CC2)cc1 ZINC000785447135 1020403849 /nfs/dbraw/zinc/40/38/49/1020403849.db2.gz XPSVNKDFUPGFMI-KDOFPFPSSA-N 1 0 302.462 3.688 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(Cl)ccc1O ZINC000858452513 1032902365 /nfs/dbraw/zinc/90/23/65/1032902365.db2.gz DWTPNVKFQZRGBK-WBMJQRKESA-N 1 0 317.816 3.838 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000186832363 1020498265 /nfs/dbraw/zinc/49/82/65/1020498265.db2.gz FSIFYELISIPIRC-QANKJYHBSA-N 1 0 307.434 3.645 20 10 DHCDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000765905443 1020566271 /nfs/dbraw/zinc/56/62/71/1020566271.db2.gz UUMZVBVORMNVOQ-MRXNPFEDSA-N 1 0 302.462 3.633 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)c1O ZINC000858487614 1032915869 /nfs/dbraw/zinc/91/58/69/1032915869.db2.gz DHGYGYOVZGWFPL-AWEZNQCLSA-N 1 0 314.429 3.733 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000858486869 1032914657 /nfs/dbraw/zinc/91/46/57/1032914657.db2.gz SUJUUPBTSVPHIS-FZKQIMNGSA-N 1 0 312.413 3.988 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000738158584 1020863071 /nfs/dbraw/zinc/86/30/71/1020863071.db2.gz MTZFEZFPCKJUJX-MRXNPFEDSA-N 1 0 307.397 3.579 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000858543446 1032937315 /nfs/dbraw/zinc/93/73/15/1032937315.db2.gz SLXVCCJXAHBROL-OAHLLOKOSA-N 1 0 306.413 3.735 20 10 DHCDRO COc1ccc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1C ZINC000740006321 1020923817 /nfs/dbraw/zinc/92/38/17/1020923817.db2.gz KCTQUMDFZLKQKX-LIRRHRJNSA-N 1 0 305.462 3.671 20 10 DHCDRO CCOc1ccc(C[NH2+][C@](C)(CC)c2nccs2)c(O)c1 ZINC000740014893 1020927297 /nfs/dbraw/zinc/92/72/97/1020927297.db2.gz YINXVHDYAKCDNH-MRXNPFEDSA-N 1 0 306.431 3.662 20 10 DHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000740859204 1020954792 /nfs/dbraw/zinc/95/47/92/1020954792.db2.gz JHRQIDJWSYWAEU-QWHCGFSZSA-N 1 0 313.397 3.562 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1(C)C ZINC000740863624 1020956539 /nfs/dbraw/zinc/95/65/39/1020956539.db2.gz VMNBLDQLJOGMBZ-ZWKOTPCHSA-N 1 0 303.446 3.516 20 10 DHCDRO Cc1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1N1CCCCC1 ZINC001171942400 1032947707 /nfs/dbraw/zinc/94/77/07/1032947707.db2.gz IKHOENBYLOZJTQ-FXAWDEMLSA-N 1 0 315.505 3.510 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000742368687 1021107237 /nfs/dbraw/zinc/10/72/37/1021107237.db2.gz LNJGNKQLBMKKFM-UHFFFAOYSA-N 1 0 322.811 3.844 20 10 DHCDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000742380770 1021108641 /nfs/dbraw/zinc/10/86/41/1021108641.db2.gz SWBHRJBBMQWEJQ-ZDUSSCGKSA-N 1 0 305.805 3.911 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCCC2 ZINC000742390482 1021110805 /nfs/dbraw/zinc/11/08/05/1021110805.db2.gz IFOBKCCYXDECHB-MSOLQXFVSA-N 1 0 320.452 3.719 20 10 DHCDRO CCOc1ccc(C[NH2+][C@](C)(CC)c2nc(C)cs2)c(O)c1 ZINC000742374320 1021114609 /nfs/dbraw/zinc/11/46/09/1021114609.db2.gz VEQQFMYJPOZOFV-QGZVFWFLSA-N 1 0 320.458 3.971 20 10 DHCDRO Cc1cnc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000742378091 1021115317 /nfs/dbraw/zinc/11/53/17/1021115317.db2.gz VWSMDSJHJGDEIY-MRXNPFEDSA-N 1 0 301.459 3.758 20 10 DHCDRO CCN(CC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1C ZINC000917395570 1021249500 /nfs/dbraw/zinc/24/95/00/1021249500.db2.gz RLVHWVIEVNEYDP-UHFFFAOYSA-N 1 0 310.441 3.546 20 10 DHCDRO Cc1cc(C[NH2+]C[C@H]2CCCOC2)c(C)n1-c1cccc(C)c1 ZINC000917397802 1021252044 /nfs/dbraw/zinc/25/20/44/1021252044.db2.gz VAWAGEGAGJJZSX-GOSISDBHSA-N 1 0 312.457 3.919 20 10 DHCDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917462086 1021269635 /nfs/dbraw/zinc/26/96/35/1021269635.db2.gz FHRNNSRPOIVBIZ-UHFFFAOYSA-N 1 0 319.788 3.796 20 10 DHCDRO C[N@H+](CCCCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000917477611 1021270329 /nfs/dbraw/zinc/27/03/29/1021270329.db2.gz WJDCUXUGSLUXJE-UHFFFAOYSA-N 1 0 313.397 3.576 20 10 DHCDRO COc1ccc2ccc(O)c(C[NH+]3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC000743377546 1021283947 /nfs/dbraw/zinc/28/39/47/1021283947.db2.gz PSGHADVZFIUKBH-CHWSQXEVSA-N 1 0 317.454 3.880 20 10 DHCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000743499057 1021305289 /nfs/dbraw/zinc/30/52/89/1021305289.db2.gz GLANBTQEBDTYSO-GOEBONIOSA-N 1 0 310.457 3.559 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000107714120 1021344620 /nfs/dbraw/zinc/34/46/20/1021344620.db2.gz BZOYHZQMFGNRSA-UHFFFAOYSA-N 1 0 324.424 3.995 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000166312962 1021400129 /nfs/dbraw/zinc/40/01/29/1021400129.db2.gz ZLESAMJRHKCUGM-OXQOHEQNSA-N 1 0 315.505 3.668 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000166312610 1021400263 /nfs/dbraw/zinc/40/02/63/1021400263.db2.gz ZLESAMJRHKCUGM-JXFKEZNVSA-N 1 0 315.505 3.668 20 10 DHCDRO CCOC(C)(C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850266450 1021457730 /nfs/dbraw/zinc/45/77/30/1021457730.db2.gz CFRSTJZELMCNLM-UHFFFAOYSA-N 1 0 309.450 3.603 20 10 DHCDRO COc1cc(C[NH2+]CCC[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850317656 1021472245 /nfs/dbraw/zinc/47/22/45/1021472245.db2.gz UEKOXOCREOXGRA-CQSZACIVSA-N 1 0 321.461 3.605 20 10 DHCDRO COc1cc(C[NH2+]Cc2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000850315995 1021472484 /nfs/dbraw/zinc/47/24/84/1021472484.db2.gz XBJDZWXQRNIQBQ-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccnc(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850314453 1021473109 /nfs/dbraw/zinc/47/31/09/1021473109.db2.gz WRTJNDBGTXADDU-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COCC1(CC[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850335621 1021476798 /nfs/dbraw/zinc/47/67/98/1021476798.db2.gz IOEZZCBCRIXKPN-UHFFFAOYSA-N 1 0 321.461 3.605 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000324918312 1021479824 /nfs/dbraw/zinc/47/98/24/1021479824.db2.gz KUTMMDKNOPUAHX-LJQANCHMSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)sc3C)C2)cc1 ZINC000850346256 1021480382 /nfs/dbraw/zinc/48/03/82/1021480382.db2.gz DGRSNAOFHFRMOI-INIZCTEOSA-N 1 0 316.470 3.742 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4ccccc4o3)C2)cc1 ZINC000850345780 1021481851 /nfs/dbraw/zinc/48/18/51/1021481851.db2.gz KGVWCFDLIPUSCM-MRXNPFEDSA-N 1 0 322.408 3.810 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367466 1021489697 /nfs/dbraw/zinc/48/96/97/1021489697.db2.gz JWOZZSMVCJOIIN-GOSISDBHSA-N 1 0 309.409 3.860 20 10 DHCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369765 1021492542 /nfs/dbraw/zinc/49/25/42/1021492542.db2.gz LGBYUULQVOPFPI-RTWAWAEBSA-N 1 0 322.452 3.945 20 10 DHCDRO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000850386817 1021503354 /nfs/dbraw/zinc/50/33/54/1021503354.db2.gz SPYPBAWAROTXPY-APWZRJJASA-N 1 0 308.425 3.518 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000850388880 1021505552 /nfs/dbraw/zinc/50/55/52/1021505552.db2.gz QVKDLLBKCAQPFS-SJORKVTESA-N 1 0 319.445 3.617 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000850405565 1021513345 /nfs/dbraw/zinc/51/33/45/1021513345.db2.gz UQLZWQCMLXPGIT-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO Cc1cccc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406177 1021513804 /nfs/dbraw/zinc/51/38/04/1021513804.db2.gz VSQSAMAUFJUMFE-UHFFFAOYSA-N 1 0 324.468 3.554 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000850412462 1021516970 /nfs/dbraw/zinc/51/69/70/1021516970.db2.gz YMMCKFIZNZABFU-SCLBCKFNSA-N 1 0 319.832 3.608 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850411629 1021517227 /nfs/dbraw/zinc/51/72/27/1021517227.db2.gz GWJNXJWWWNXIQN-ILLWNSAZSA-N 1 0 324.468 3.520 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419125 1021521249 /nfs/dbraw/zinc/52/12/49/1021521249.db2.gz BQVLALABTVFZKH-OXJNMPFZSA-N 1 0 312.457 3.745 20 10 DHCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420620 1021521672 /nfs/dbraw/zinc/52/16/72/1021521672.db2.gz PXYMFRILTRHXQJ-UTKZUKDTSA-N 1 0 324.468 3.889 20 10 DHCDRO CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000744436751 1021539210 /nfs/dbraw/zinc/53/92/10/1021539210.db2.gz SRTGEZRDXUXHMH-IYBDPMFKSA-N 1 0 303.446 3.615 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1 ZINC000182217368 1021543378 /nfs/dbraw/zinc/54/33/78/1021543378.db2.gz FQFOXJIHXKZXRC-UHFFFAOYSA-N 1 0 318.442 3.725 20 10 DHCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000744448500 1021548934 /nfs/dbraw/zinc/54/89/34/1021548934.db2.gz KGVSXXOILDNKGH-QUCCMNQESA-N 1 0 316.489 3.970 20 10 DHCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000744448501 1021549673 /nfs/dbraw/zinc/54/96/73/1021549673.db2.gz KGVSXXOILDNKGH-UYAOXDASSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000850483187 1021559262 /nfs/dbraw/zinc/55/92/62/1021559262.db2.gz URZWPUZPHJRHNR-WBVHZDCISA-N 1 0 302.462 3.895 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C(C)(C)C(F)F)C2)cc1 ZINC000850488827 1021560460 /nfs/dbraw/zinc/56/04/60/1021560460.db2.gz ULOLMYZGDFECGP-CHWSQXEVSA-N 1 0 312.404 3.543 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000850488293 1021561388 /nfs/dbraw/zinc/56/13/88/1021561388.db2.gz MTERHSCQQIHGSR-ZIAGYGMSSA-N 1 0 317.351 3.613 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000850505132 1021565651 /nfs/dbraw/zinc/56/56/51/1021565651.db2.gz NOILVSPKXKMVJH-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511041 1021569310 /nfs/dbraw/zinc/56/93/10/1021569310.db2.gz YRHGHSCRCBNEHY-ZIAGYGMSSA-N 1 0 306.837 3.546 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(OC)c1 ZINC000850514642 1021570900 /nfs/dbraw/zinc/57/09/00/1021570900.db2.gz ONAQCXPKDPIHGX-PXAZEXFGSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850513716 1021571624 /nfs/dbraw/zinc/57/16/24/1021571624.db2.gz BNKSZOHULZLTGC-HUUCEWRRSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1O ZINC000850537871 1021591713 /nfs/dbraw/zinc/59/17/13/1021591713.db2.gz ASYDIFTXLGSBTN-HIFRSBDPSA-N 1 0 306.425 3.589 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850541423 1021595241 /nfs/dbraw/zinc/59/52/41/1021595241.db2.gz ZQZZWVIDZXIOJG-GUYCJALGSA-N 1 0 306.425 3.502 20 10 DHCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000850544354 1021595870 /nfs/dbraw/zinc/59/58/70/1021595870.db2.gz GERUTXRHLJMRTK-FUHWJXTLSA-N 1 0 316.489 3.736 20 10 DHCDRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(Cl)cc1O ZINC000850565970 1021609396 /nfs/dbraw/zinc/60/93/96/1021609396.db2.gz INUUUCUIOYLTIU-JTQLQIEISA-N 1 0 319.779 3.637 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568426 1021610631 /nfs/dbraw/zinc/61/06/31/1021610631.db2.gz XJFMHOLYZXATEG-QINHECLXSA-N 1 0 316.489 3.562 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(SC)cc2)c1 ZINC000182384132 1021626872 /nfs/dbraw/zinc/62/68/72/1021626872.db2.gz HZMWYIIZZQZYND-LBPRGKRZSA-N 1 0 303.427 3.974 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)c(O)c1OC ZINC000892816089 1021635205 /nfs/dbraw/zinc/63/52/05/1021635205.db2.gz NYKQKEMIPGIVOH-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892859142 1021652686 /nfs/dbraw/zinc/65/26/86/1021652686.db2.gz DFMUUSGIWWMPFL-INIZCTEOSA-N 1 0 315.413 3.520 20 10 DHCDRO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccccc1O ZINC000109770818 1021745891 /nfs/dbraw/zinc/74/58/91/1021745891.db2.gz AXCXRONJFAVRIK-GFCCVEGCSA-N 1 0 318.804 3.505 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1Br ZINC000109768873 1021746228 /nfs/dbraw/zinc/74/62/28/1021746228.db2.gz OHEBREDCFYIHNC-UHFFFAOYSA-N 1 0 306.203 3.787 20 10 DHCDRO C[N@H+](Cc1csc(Br)c1)Cc1ccccc1O ZINC000109773743 1021748046 /nfs/dbraw/zinc/74/80/46/1021748046.db2.gz PPIRSDIWELTUQS-UHFFFAOYSA-N 1 0 312.232 3.848 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116374661 1033015608 /nfs/dbraw/zinc/01/56/08/1033015608.db2.gz PUULMSGCDWWMHY-UHFFFAOYSA-N 1 0 318.442 3.807 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)nc(C)n2)cc1 ZINC000851717281 1021972582 /nfs/dbraw/zinc/97/25/82/1021972582.db2.gz VRAXBAYXECXRTO-UHFFFAOYSA-N 1 0 312.461 3.572 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1OC(F)F ZINC000851840585 1022019581 /nfs/dbraw/zinc/01/95/81/1022019581.db2.gz HYHAAEIBMPUXEW-UHFFFAOYSA-N 1 0 311.303 3.765 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(SC)c2)c1 ZINC000851900728 1022034878 /nfs/dbraw/zinc/03/48/78/1022034878.db2.gz XNKVTANGRVHMRN-GFCCVEGCSA-N 1 0 303.427 3.974 20 10 DHCDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000766377885 1022086893 /nfs/dbraw/zinc/08/68/93/1022086893.db2.gz NCDCCZHPIHJVNN-AWEZNQCLSA-N 1 0 308.429 3.788 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766389896 1022087185 /nfs/dbraw/zinc/08/71/85/1022087185.db2.gz SGGLOHIQLIHAIM-OALUTQOASA-N 1 0 304.478 3.999 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000179889365 1022090589 /nfs/dbraw/zinc/09/05/89/1022090589.db2.gz QIGGWQTXCCUYGW-OAHLLOKOSA-N 1 0 321.417 3.774 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1O ZINC000180459971 1022143293 /nfs/dbraw/zinc/14/32/93/1022143293.db2.gz XXXVPOUFJJHYMI-SFHVURJKSA-N 1 0 309.409 3.938 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852598559 1022147682 /nfs/dbraw/zinc/14/76/82/1022147682.db2.gz XCEMFYYLCQKUHP-MJGOQNOKSA-N 1 0 302.462 3.534 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852598556 1022148039 /nfs/dbraw/zinc/14/80/39/1022148039.db2.gz XCEMFYYLCQKUHP-HKUYNNGSSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000071406256 1022173397 /nfs/dbraw/zinc/17/33/97/1022173397.db2.gz HPNCHDVTRHIOTE-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COC[C@H](C)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000920867899 1022186660 /nfs/dbraw/zinc/18/66/60/1022186660.db2.gz AZLXLMHALNGFQR-OAHLLOKOSA-N 1 0 300.446 3.775 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccccc2F)cc1 ZINC000920956982 1022195709 /nfs/dbraw/zinc/19/57/09/1022195709.db2.gz KIFVQIRQMKNJND-UHFFFAOYSA-N 1 0 316.420 3.841 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000183632376 1022216885 /nfs/dbraw/zinc/21/68/85/1022216885.db2.gz CGRMPTNELBODLR-HUUCEWRRSA-N 1 0 314.404 3.851 20 10 DHCDRO CCOc1cccc(C[NH2+]CC(C)(C)CC(F)(F)F)c1O ZINC000853096179 1022220910 /nfs/dbraw/zinc/22/09/10/1022220910.db2.gz RGCXRUBCOWAUEM-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000853565024 1022294923 /nfs/dbraw/zinc/29/49/23/1022294923.db2.gz YMTBGPRAAZPXIN-ZDUSSCGKSA-N 1 0 309.425 3.967 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccc2OC)c1 ZINC000182802766 1022310026 /nfs/dbraw/zinc/31/00/26/1022310026.db2.gz UVDVNXKGZYBYOX-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccccc3O)c21 ZINC000183716821 1022313104 /nfs/dbraw/zinc/31/31/04/1022313104.db2.gz ZOIYBFCMWULLTL-ZDUSSCGKSA-N 1 0 310.397 3.775 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(C(C)C)CC2)c1O ZINC001169506649 1022429682 /nfs/dbraw/zinc/42/96/82/1022429682.db2.gz AXMXMKBWDALKJQ-UHFFFAOYSA-N 1 0 307.409 3.992 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1C ZINC000854221913 1022434163 /nfs/dbraw/zinc/43/41/63/1022434163.db2.gz BXHWEVMEOOKUPK-NSISKUIASA-N 1 0 324.468 3.805 20 10 DHCDRO COc1ccc2oc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2c1 ZINC000763462897 1022435544 /nfs/dbraw/zinc/43/55/44/1022435544.db2.gz NUFIFDGSVWJHHZ-UHFFFAOYSA-N 1 0 309.365 3.666 20 10 DHCDRO CC(C)[C@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000179496110 1022455062 /nfs/dbraw/zinc/45/50/62/1022455062.db2.gz ZHJOEMZRPAOAPE-INIZCTEOSA-N 1 0 302.462 3.532 20 10 DHCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185419083 1022486535 /nfs/dbraw/zinc/48/65/35/1022486535.db2.gz IGCDJDAILPEXLD-OAQYLSRUSA-N 1 0 319.404 3.882 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)c1 ZINC000185566642 1022503087 /nfs/dbraw/zinc/50/30/87/1022503087.db2.gz NURZQKQGXVFRGW-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185578876 1022503890 /nfs/dbraw/zinc/50/38/90/1022503890.db2.gz IVABUWGZUMLYNV-STQMWFEESA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)c1 ZINC000179683256 1022509605 /nfs/dbraw/zinc/50/96/05/1022509605.db2.gz OHBQKBOOSRINAA-NSHDSACASA-N 1 0 307.340 3.872 20 10 DHCDRO Cc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1O ZINC000179695356 1022511407 /nfs/dbraw/zinc/51/14/07/1022511407.db2.gz OHLCYYAOXCCUEL-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1 ZINC000859081724 1033065467 /nfs/dbraw/zinc/06/54/67/1033065467.db2.gz ITUYQODAEUEQGO-UHFFFAOYSA-N 1 0 301.409 3.697 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(O)c1 ZINC000767929714 1022842881 /nfs/dbraw/zinc/84/28/81/1022842881.db2.gz PEXFTRKDYLIUOS-MRXNPFEDSA-N 1 0 319.445 3.762 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(O)c1 ZINC000767929710 1022843323 /nfs/dbraw/zinc/84/33/23/1022843323.db2.gz PEXFTRKDYLIUOS-INIZCTEOSA-N 1 0 319.445 3.762 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876545743 1033086258 /nfs/dbraw/zinc/08/62/58/1033086258.db2.gz NEWNHTWANLRIRV-KRWDZBQOSA-N 1 0 324.468 3.841 20 10 DHCDRO CCc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000768256291 1022933557 /nfs/dbraw/zinc/93/35/57/1022933557.db2.gz AVXCTBXHJHKBCH-UHFFFAOYSA-N 1 0 315.486 3.936 20 10 DHCDRO COc1cccc(O)c1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000768257564 1022934261 /nfs/dbraw/zinc/93/42/61/1022934261.db2.gz MXBZXTTVWSOKCZ-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CCC(CC)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768258907 1022936140 /nfs/dbraw/zinc/93/61/40/1022936140.db2.gz YQTXKKYMGMDTQY-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000323746467 1022942098 /nfs/dbraw/zinc/94/20/98/1022942098.db2.gz RHZQDJUOJKXWRX-HNNXBMFYSA-N 1 0 308.425 3.603 20 10 DHCDRO CCC1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440087 1022966105 /nfs/dbraw/zinc/96/61/05/1022966105.db2.gz NSQLMGVMIHMJKA-UHFFFAOYSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)CCC2CCCCC2)cc1OC ZINC000768445929 1022968469 /nfs/dbraw/zinc/96/84/69/1022968469.db2.gz WBCXDKAXELUBNA-UHFFFAOYSA-N 1 0 307.434 3.812 20 10 DHCDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768465748 1022971882 /nfs/dbraw/zinc/97/18/82/1022971882.db2.gz KFHZWGVEDIXTPE-ZFWWWQNUSA-N 1 0 307.434 3.810 20 10 DHCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(C)cc2O)C1 ZINC000768465367 1022973601 /nfs/dbraw/zinc/97/36/01/1022973601.db2.gz HJTARZOGVHTBBI-HUUCEWRRSA-N 1 0 309.475 3.815 20 10 DHCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000191648027 1022978959 /nfs/dbraw/zinc/97/89/59/1022978959.db2.gz DTYXAGQORDIMQQ-KKUMJFAQSA-N 1 0 308.441 3.890 20 10 DHCDRO CCC[N@H+](CCc1cccs1)Cc1cc(OC)ccc1O ZINC000768522990 1022981077 /nfs/dbraw/zinc/98/10/77/1022981077.db2.gz AXGPFDXQYAFQIN-UHFFFAOYSA-N 1 0 305.443 3.917 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3o2)c1 ZINC000181229327 1022998126 /nfs/dbraw/zinc/99/81/26/1022998126.db2.gz SHYHSIAAXFMWHJ-RYUDHWBXSA-N 1 0 312.369 3.954 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)CCc2ccc(F)cc2)c1 ZINC000768921224 1023057157 /nfs/dbraw/zinc/05/71/57/1023057157.db2.gz PBIOTAHGEPHLNA-UHFFFAOYSA-N 1 0 303.377 3.605 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756591175 1023095062 /nfs/dbraw/zinc/09/50/62/1023095062.db2.gz QCAMBQRGPMPWBO-CJNGLKHVSA-N 1 0 305.462 3.719 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cc1C ZINC000769232830 1023103521 /nfs/dbraw/zinc/10/35/21/1023103521.db2.gz NQUHCFBWNHIDSV-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000769234479 1023105781 /nfs/dbraw/zinc/10/57/81/1023105781.db2.gz SZHBDAFOGFCRGQ-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000769244332 1023107723 /nfs/dbraw/zinc/10/77/23/1023107723.db2.gz NGGOEGFIXZGBKN-NHCUHLMSSA-N 1 0 324.468 3.841 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000769246316 1023107780 /nfs/dbraw/zinc/10/77/80/1023107780.db2.gz ZMPMLEWADLMCAG-CQSZACIVSA-N 1 0 310.235 3.919 20 10 DHCDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769312413 1023119448 /nfs/dbraw/zinc/11/94/48/1023119448.db2.gz LXCTXJBPFDITCW-SFHVURJKSA-N 1 0 320.452 3.673 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c1O ZINC000769317970 1023120711 /nfs/dbraw/zinc/12/07/11/1023120711.db2.gz CXTQEIGFBOLCPL-SFHVURJKSA-N 1 0 311.425 3.916 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC000769379228 1023136442 /nfs/dbraw/zinc/13/64/42/1023136442.db2.gz LHUKSGBIDYBCLM-AWEZNQCLSA-N 1 0 315.388 3.920 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769410664 1023142882 /nfs/dbraw/zinc/14/28/82/1023142882.db2.gz AIDGDMICWFKLRA-HZPDHXFCSA-N 1 0 302.462 3.753 20 10 DHCDRO CCn1cc(C[N@H+](C)Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000769427614 1023146461 /nfs/dbraw/zinc/14/64/61/1023146461.db2.gz NEUXNFWWPTXAIA-UHFFFAOYSA-N 1 0 321.424 3.908 20 10 DHCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000769484387 1023152672 /nfs/dbraw/zinc/15/26/72/1023152672.db2.gz UNMTVXQQNCTPDY-HXUWFJFHSA-N 1 0 313.441 3.873 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(O)CCCC1 ZINC000769448456 1023155618 /nfs/dbraw/zinc/15/56/18/1023155618.db2.gz RJYWEEZAIHRPAN-UHFFFAOYSA-N 1 0 311.425 3.796 20 10 DHCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769463928 1023159079 /nfs/dbraw/zinc/15/90/79/1023159079.db2.gz SZSDEERWJCPMTI-QGZVFWFLSA-N 1 0 302.462 3.535 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000769493008 1023165937 /nfs/dbraw/zinc/16/59/37/1023165937.db2.gz QDTYFOYHLFZQRB-MRXNPFEDSA-N 1 0 309.837 3.969 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000769502888 1023168795 /nfs/dbraw/zinc/16/87/95/1023168795.db2.gz DTWIKMXFBABZMX-IBGZPJMESA-N 1 0 309.457 3.829 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c(O)c1 ZINC000769515403 1023172239 /nfs/dbraw/zinc/17/22/39/1023172239.db2.gz RJZMLDJELOHWAN-UHFFFAOYSA-N 1 0 319.445 3.716 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H](CO)C(C)(C)C ZINC000769533855 1023173985 /nfs/dbraw/zinc/17/39/85/1023173985.db2.gz QHFVTBYSVSNQSX-LJQANCHMSA-N 1 0 313.441 3.898 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001170009091 1023192620 /nfs/dbraw/zinc/19/26/20/1023192620.db2.gz MFOKTDNYJDKKKU-UHFFFAOYSA-N 1 0 319.493 3.595 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769986012 1023256172 /nfs/dbraw/zinc/25/61/72/1023256172.db2.gz GIRDETNIPZVADQ-DYVFJYSZSA-N 1 0 304.459 3.588 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991736 1023257499 /nfs/dbraw/zinc/25/74/99/1023257499.db2.gz ZTEZGKMVXZUYLK-IRXDYDNUSA-N 1 0 304.459 3.588 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991734 1023258025 /nfs/dbraw/zinc/25/80/25/1023258025.db2.gz ZTEZGKMVXZUYLK-DLBZAZTESA-N 1 0 304.459 3.588 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000770305315 1023294417 /nfs/dbraw/zinc/29/44/17/1023294417.db2.gz SJYFTUQVFDLPMS-OAQYLSRUSA-N 1 0 324.468 3.586 20 10 DHCDRO Clc1sccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000312885324 1023313986 /nfs/dbraw/zinc/31/39/86/1023313986.db2.gz ZQHNFUDFJOJTMR-UHFFFAOYSA-N 1 0 322.861 3.528 20 10 DHCDRO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3O)[C@@H](C)CO2)c1 ZINC000770506156 1023316043 /nfs/dbraw/zinc/31/60/43/1023316043.db2.gz VTTXOYCJTWBZPQ-JXFKEZNVSA-N 1 0 311.425 3.971 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000772471326 1023558508 /nfs/dbraw/zinc/55/85/08/1023558508.db2.gz GGFXJZMLAYZDSO-YTQUADARSA-N 1 0 304.478 3.997 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000785989095 1023648965 /nfs/dbraw/zinc/64/89/65/1023648965.db2.gz QUSUCOHOGMDVAW-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c(O)c1C ZINC000756758542 1023706196 /nfs/dbraw/zinc/70/61/96/1023706196.db2.gz HIVSGADBJVNINB-LZLYRXPVSA-N 1 0 305.462 3.991 20 10 DHCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000786829166 1023727214 /nfs/dbraw/zinc/72/72/14/1023727214.db2.gz JSDAUZYVGYPAIB-HIFRSBDPSA-N 1 0 322.499 3.991 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1 ZINC000786824604 1023732562 /nfs/dbraw/zinc/73/25/62/1023732562.db2.gz XEWZYUGNIWJRFH-OAHLLOKOSA-N 1 0 318.383 3.590 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2scnc2C2CC2)cc1 ZINC000787040957 1023752849 /nfs/dbraw/zinc/75/28/49/1023752849.db2.gz LLUKTKLUOVYIHQ-UHFFFAOYSA-N 1 0 301.459 3.719 20 10 DHCDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093558526 1023773952 /nfs/dbraw/zinc/77/39/52/1023773952.db2.gz QBXPNAXBVSKBRY-SNVBAGLBSA-N 1 0 318.280 3.728 20 10 DHCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000796690529 1023793488 /nfs/dbraw/zinc/79/34/88/1023793488.db2.gz AARBQNHUDYLMTI-MSOLQXFVSA-N 1 0 304.503 3.764 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796703407 1023856193 /nfs/dbraw/zinc/85/61/93/1023856193.db2.gz UMAALJQJOMPTIG-SJLPKXTDSA-N 1 0 303.377 3.614 20 10 DHCDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001172434272 1033168026 /nfs/dbraw/zinc/16/80/26/1033168026.db2.gz NEVPOLTYWBPMFZ-KRWDZBQOSA-N 1 0 304.478 3.970 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1SCCS1 ZINC000692849258 1023893020 /nfs/dbraw/zinc/89/30/20/1023893020.db2.gz AXZRTOJZSHGHAQ-UHFFFAOYSA-N 1 0 308.516 3.573 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788531994 1023906283 /nfs/dbraw/zinc/90/62/83/1023906283.db2.gz JUQOEBHLZKRULB-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788589898 1023910633 /nfs/dbraw/zinc/91/06/33/1023910633.db2.gz DPVPLRHKUWYUQP-ZDUSSCGKSA-N 1 0 304.459 3.976 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCNc2ccccn2)c(O)c1 ZINC000788587549 1023910718 /nfs/dbraw/zinc/91/07/18/1023910718.db2.gz JRJASXQXMRQCPH-MRXNPFEDSA-N 1 0 313.445 3.947 20 10 DHCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788756901 1023929382 /nfs/dbraw/zinc/92/93/82/1023929382.db2.gz JUQXLTQYQDFUFC-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000788765362 1023931387 /nfs/dbraw/zinc/93/13/87/1023931387.db2.gz NIDSBUGRFCURAO-OXJNMPFZSA-N 1 0 313.441 3.957 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)c(O)c1 ZINC000876880498 1033176075 /nfs/dbraw/zinc/17/60/75/1033176075.db2.gz JXOUMMDIILVVCO-LJQANCHMSA-N 1 0 310.441 3.627 20 10 DHCDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(C)cc1O ZINC000876895877 1033178163 /nfs/dbraw/zinc/17/81/63/1033178163.db2.gz NTVIFTZWXYOBNJ-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000194549310 1024007760 /nfs/dbraw/zinc/00/77/60/1024007760.db2.gz HZZONNZKBIMFQJ-HNNXBMFYSA-N 1 0 309.768 3.662 20 10 DHCDRO CCCN(Cc1ccccc1NC(C)=O)c1ccc(C[NH3+])cc1 ZINC000194977699 1024019202 /nfs/dbraw/zinc/01/92/02/1024019202.db2.gz JVXVRZINRRYQMG-UHFFFAOYSA-N 1 0 311.429 3.520 20 10 DHCDRO CC[C@@H]([NH2+]CCc1csc(C)n1)c1ccc(N(C)C)cc1 ZINC000268781679 1024158182 /nfs/dbraw/zinc/15/81/82/1024158182.db2.gz UFFISEVFPBYMQA-QGZVFWFLSA-N 1 0 303.475 3.801 20 10 DHCDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268835880 1024175317 /nfs/dbraw/zinc/17/53/17/1024175317.db2.gz UKXVXWUXEICFKM-INIZCTEOSA-N 1 0 312.461 3.533 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)OCO2 ZINC000026237672 1024177070 /nfs/dbraw/zinc/17/70/70/1024177070.db2.gz CVKSXJNUXNATMF-HNNXBMFYSA-N 1 0 315.344 3.597 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000876956818 1033191690 /nfs/dbraw/zinc/19/16/90/1033191690.db2.gz OIOADWQTMGGSTP-MRXNPFEDSA-N 1 0 313.397 3.713 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000268985847 1024211348 /nfs/dbraw/zinc/21/13/48/1024211348.db2.gz SUNWTMYPKGCHNN-QGZVFWFLSA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000268989231 1024212071 /nfs/dbraw/zinc/21/20/71/1024212071.db2.gz QZFFPOZCBBHTQB-ZDUSSCGKSA-N 1 0 316.367 3.516 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000876995796 1033202411 /nfs/dbraw/zinc/20/24/11/1033202411.db2.gz INEBUDSZZBJINK-ICSRJNTNSA-N 1 0 322.452 3.850 20 10 DHCDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000131243200 1024298641 /nfs/dbraw/zinc/29/86/41/1024298641.db2.gz XTKMBAYPMVHJCX-OAHLLOKOSA-N 1 0 314.429 3.529 20 10 DHCDRO CCCC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000790480958 1024310755 /nfs/dbraw/zinc/31/07/55/1024310755.db2.gz OEMVNGRSZCFZGU-RWKZGTHUSA-N 1 0 319.445 3.609 20 10 DHCDRO CCCC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000790480957 1024312677 /nfs/dbraw/zinc/31/26/77/1024312677.db2.gz OEMVNGRSZCFZGU-LEHRNKBSSA-N 1 0 319.445 3.609 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000876995795 1033201939 /nfs/dbraw/zinc/20/19/39/1033201939.db2.gz INEBUDSZZBJINK-AZUAARDMSA-N 1 0 322.452 3.850 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCC(C)(C)SC)CC2)cc1 ZINC000876998700 1033202024 /nfs/dbraw/zinc/20/20/24/1033202024.db2.gz MEOZSTUYFHANRG-UHFFFAOYSA-N 1 0 322.518 3.785 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000105444589 1024378566 /nfs/dbraw/zinc/37/85/66/1024378566.db2.gz LWOLDDARJKVIKH-LBPRGKRZSA-N 1 0 318.214 3.584 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cccc(O)c1 ZINC000105461416 1024384992 /nfs/dbraw/zinc/38/49/92/1024384992.db2.gz NUARSCSRQJAYHR-SNVBAGLBSA-N 1 0 322.202 3.711 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cccc(O)c1 ZINC000105461412 1024385798 /nfs/dbraw/zinc/38/57/98/1024385798.db2.gz NUARSCSRQJAYHR-JTQLQIEISA-N 1 0 322.202 3.711 20 10 DHCDRO COc1ccc(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)cc1C ZINC000314856906 1024387338 /nfs/dbraw/zinc/38/73/38/1024387338.db2.gz DAGSWWADEAYDCK-BEFAXECRSA-N 1 0 304.478 3.604 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000105477692 1024388122 /nfs/dbraw/zinc/38/81/22/1024388122.db2.gz RMIBFZUVSBXTSJ-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC000270623960 1024409299 /nfs/dbraw/zinc/40/92/99/1024409299.db2.gz GDQZLTIEKIUFOM-RHSMWYFYSA-N 1 0 308.441 3.575 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1O ZINC000790995394 1024413437 /nfs/dbraw/zinc/41/34/37/1024413437.db2.gz OJYHFVHQQZQWGM-MRXNPFEDSA-N 1 0 319.445 3.762 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000132203079 1024461286 /nfs/dbraw/zinc/46/12/86/1024461286.db2.gz XWZSFMFYYWSALL-HNAYVOBHSA-N 1 0 302.462 3.832 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000132286339 1024468390 /nfs/dbraw/zinc/46/83/90/1024468390.db2.gz FGZLSBYDUJSHAM-GFCCVEGCSA-N 1 0 308.472 3.985 20 10 DHCDRO CC(C)COCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172457133 1033213678 /nfs/dbraw/zinc/21/36/78/1033213678.db2.gz LJOHYEQMFGEBRC-KRWDZBQOSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000271464039 1024513835 /nfs/dbraw/zinc/51/38/35/1024513835.db2.gz IBICNWFBGBOFRJ-CKFHNAJUSA-N 1 0 316.420 3.664 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000877063349 1033221972 /nfs/dbraw/zinc/22/19/72/1033221972.db2.gz FFGHSNDZGAHZNJ-UHFFFAOYSA-N 1 0 316.348 3.508 20 10 DHCDRO CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133399847 1024633213 /nfs/dbraw/zinc/63/32/13/1024633213.db2.gz BHBQZBYYCICOPA-CYBMUJFWSA-N 1 0 305.249 3.504 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](CC)C(=O)OC(C)(C)C ZINC000792233607 1024650427 /nfs/dbraw/zinc/65/04/27/1024650427.db2.gz REAPDXKDXKXEAG-HNNXBMFYSA-N 1 0 307.434 3.725 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000760160446 1024680454 /nfs/dbraw/zinc/68/04/54/1024680454.db2.gz RVXODUIGFUCMRJ-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001170225030 1024711716 /nfs/dbraw/zinc/71/17/16/1024711716.db2.gz WVWXXJBNONHNAR-RTBURBONSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CCCS1 ZINC000133568151 1024718317 /nfs/dbraw/zinc/71/83/17/1024718317.db2.gz NKVRJUYVPLFWLU-ZDUSSCGKSA-N 1 0 316.264 3.530 20 10 DHCDRO [O-]c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc(F)c1F ZINC000877079937 1033231092 /nfs/dbraw/zinc/23/10/92/1033231092.db2.gz BVNKYYHIWYJAJQ-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000897418774 1024790994 /nfs/dbraw/zinc/79/09/94/1024790994.db2.gz WFFZUEYEUJVKIT-OLZOCXBDSA-N 1 0 313.397 3.748 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000113339790 1024797681 /nfs/dbraw/zinc/79/76/81/1024797681.db2.gz FBLLJWLESRXSBS-UHFFFAOYSA-N 1 0 306.793 3.519 20 10 DHCDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877083824 1033234877 /nfs/dbraw/zinc/23/48/77/1033234877.db2.gz FTDQKYVITLDQNI-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000877127361 1033246745 /nfs/dbraw/zinc/24/67/45/1033246745.db2.gz FVYMMOZVRDUNFC-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000793238713 1024956059 /nfs/dbraw/zinc/95/60/59/1024956059.db2.gz JMMPFUORVAQAKQ-ICSRJNTNSA-N 1 0 311.425 3.613 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC000793267615 1024968653 /nfs/dbraw/zinc/96/86/53/1024968653.db2.gz CVCSHRXWFWPTAE-PBHICJAKSA-N 1 0 315.388 3.966 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2(CCOC)CCC2)cc1F ZINC000793330323 1024995391 /nfs/dbraw/zinc/99/53/91/1024995391.db2.gz WJYWFUCDYSHZTJ-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO CCOc1cccc(C[NH2+]CCCc2ccccc2F)c1O ZINC000793347699 1025018139 /nfs/dbraw/zinc/01/81/39/1025018139.db2.gz QBRZUZMBVPQNTO-UHFFFAOYSA-N 1 0 303.377 3.652 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000793347702 1025018606 /nfs/dbraw/zinc/01/86/06/1025018606.db2.gz WPGQEEBNBBSHJM-HOTGVXAUSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(C[NH2+]CCCCCOc2ccccc2)c(O)c1 ZINC000793389495 1025031574 /nfs/dbraw/zinc/03/15/74/1025031574.db2.gz ZTHUSZVPPSAVOK-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000793390334 1025031863 /nfs/dbraw/zinc/03/18/63/1025031863.db2.gz OULMHMPHVDNXFO-LBPRGKRZSA-N 1 0 305.805 3.948 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000793573485 1025126359 /nfs/dbraw/zinc/12/63/59/1025126359.db2.gz OOKYRQVUCXUGBS-GOSISDBHSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000794257223 1025243575 /nfs/dbraw/zinc/24/35/75/1025243575.db2.gz LISAHESSNIWGAI-KRWDZBQOSA-N 1 0 324.472 3.968 20 10 DHCDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178582302 1025306644 /nfs/dbraw/zinc/30/66/44/1025306644.db2.gz UMPLLSCOLCQTCX-LSDHHAIUSA-N 1 0 308.441 3.605 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000897465844 1025368248 /nfs/dbraw/zinc/36/82/48/1025368248.db2.gz IZWGDTKVDIQOHL-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885940676 1025412639 /nfs/dbraw/zinc/41/26/39/1025412639.db2.gz OWEZCRFPMYDJHP-UYAOXDASSA-N 1 0 314.473 3.535 20 10 DHCDRO CCC[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1O ZINC000728927764 1025484477 /nfs/dbraw/zinc/48/44/77/1025484477.db2.gz YBRNNQOYLLNMTM-UHFFFAOYSA-N 1 0 309.413 3.761 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336918 1033286664 /nfs/dbraw/zinc/28/66/64/1033286664.db2.gz QCONKIUQJYWBKG-QFBILLFUSA-N 1 0 315.388 3.850 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000886362717 1025603003 /nfs/dbraw/zinc/60/30/03/1025603003.db2.gz KGVYRDIGYFKGEU-INIZCTEOSA-N 1 0 301.361 3.707 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1c([O-])cccc1F ZINC000886490063 1025649350 /nfs/dbraw/zinc/64/93/50/1025649350.db2.gz YMDFTIMDBZAAAP-YPMHNXCESA-N 1 0 308.422 3.546 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC2(C1)COC(C)(C)C2 ZINC000894045218 1025672213 /nfs/dbraw/zinc/67/22/13/1025672213.db2.gz DRNBWLIIDQESIM-UHFFFAOYSA-N 1 0 302.462 3.709 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1c([O-])cccc1F ZINC000886588727 1025728454 /nfs/dbraw/zinc/72/84/54/1025728454.db2.gz XXONVWGFNGYVCD-KKUMJFAQSA-N 1 0 320.452 3.835 20 10 DHCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000806169310 1025797600 /nfs/dbraw/zinc/79/76/00/1025797600.db2.gz DJMVILRILGIWJA-IRXDYDNUSA-N 1 0 303.494 3.668 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000806172150 1025797750 /nfs/dbraw/zinc/79/77/50/1025797750.db2.gz GRMWZBGATQLALW-KSSFIOAISA-N 1 0 316.420 3.793 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806169111 1025826358 /nfs/dbraw/zinc/82/63/58/1025826358.db2.gz IGQRCWAEGNLXPZ-WMZOPIPTSA-N 1 0 304.478 3.592 20 10 DHCDRO CC[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000076118432 1025861799 /nfs/dbraw/zinc/86/17/99/1025861799.db2.gz RFWCGHJVLBKWBE-UHFFFAOYSA-N 1 0 321.218 3.572 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2(CO)CC2)cc1 ZINC000236964758 1025871481 /nfs/dbraw/zinc/87/14/81/1025871481.db2.gz BNUDPNWZYQGQOX-UHFFFAOYSA-N 1 0 324.468 3.575 20 10 DHCDRO C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N(C)C1CC1 ZINC000729686100 1026025344 /nfs/dbraw/zinc/02/53/44/1026025344.db2.gz ZDAIYIHOTFWYJO-OAHLLOKOSA-N 1 0 310.441 3.632 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000089552761 1026056469 /nfs/dbraw/zinc/05/64/69/1026056469.db2.gz ULJOTFIXZHFAFQ-DLBZAZTESA-N 1 0 310.441 3.935 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289703535 1026139269 /nfs/dbraw/zinc/13/92/69/1026139269.db2.gz IULPBRJCEWWJHJ-YJBOKZPZSA-N 1 0 317.454 3.983 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000289793620 1026177285 /nfs/dbraw/zinc/17/72/85/1026177285.db2.gz MESYFOQPXGRHAC-AWEZNQCLSA-N 1 0 318.804 3.622 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c(O)c1 ZINC000289827483 1026188359 /nfs/dbraw/zinc/18/83/59/1026188359.db2.gz PFCDDFNKUOYFLU-ZAAXVRCTSA-N 1 0 311.425 3.517 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1C ZINC000808430317 1026300049 /nfs/dbraw/zinc/30/00/49/1026300049.db2.gz FBDICSSXWBANQK-INIZCTEOSA-N 1 0 319.832 3.523 20 10 DHCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894187491 1026336761 /nfs/dbraw/zinc/33/67/61/1026336761.db2.gz KFFKQYZHDVRWRW-LBPRGKRZSA-N 1 0 319.376 3.708 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1O ZINC000808682832 1026346695 /nfs/dbraw/zinc/34/66/95/1026346695.db2.gz WUOGXVVSVYCNFV-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1O ZINC000808675364 1026353796 /nfs/dbraw/zinc/35/37/96/1026353796.db2.gz DQORIXCLMYVXIP-IAQYHMDHSA-N 1 0 319.836 3.816 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808675697 1026354388 /nfs/dbraw/zinc/35/43/88/1026354388.db2.gz PTNJVTIXWSUHQB-GFCCVEGCSA-N 1 0 320.820 3.999 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCn2ccnc2)c1O ZINC000808679115 1026355372 /nfs/dbraw/zinc/35/53/72/1026355372.db2.gz CUKUHSOLJQZZSY-ZDUSSCGKSA-N 1 0 307.825 3.682 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000808707087 1026358378 /nfs/dbraw/zinc/35/83/78/1026358378.db2.gz ZZCUTRSCDJDZNA-YGRLFVJLSA-N 1 0 305.809 3.805 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1O ZINC000808715635 1026362435 /nfs/dbraw/zinc/36/24/35/1026362435.db2.gz WSCQGVMUQIIVAQ-PJODQICGSA-N 1 0 309.837 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1O ZINC000808699082 1026373088 /nfs/dbraw/zinc/37/30/88/1026373088.db2.gz RUWIUFYYDHCHQN-XOPPTJLZSA-N 1 0 309.837 3.818 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1O ZINC000808702407 1026375282 /nfs/dbraw/zinc/37/52/82/1026375282.db2.gz GXSYOZCLKLYLHE-YUDUHTQSSA-N 1 0 309.837 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000808702485 1026375547 /nfs/dbraw/zinc/37/55/47/1026375547.db2.gz XOCALRACENXIMB-DYEKYZERSA-N 1 0 308.853 3.630 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000808702488 1026376026 /nfs/dbraw/zinc/37/60/26/1026376026.db2.gz XOCALRACENXIMB-SGMGOOAPSA-N 1 0 308.853 3.630 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)CC(C)C)CC2)cc1 ZINC000809612781 1026565244 /nfs/dbraw/zinc/56/52/44/1026565244.db2.gz ZZQNTRZUAFGARM-MRXNPFEDSA-N 1 0 304.478 3.936 20 10 DHCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700476 1026587073 /nfs/dbraw/zinc/58/70/73/1026587073.db2.gz HJLOGJGLSBXILM-BXUZGUMPSA-N 1 0 315.816 3.700 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)cc1F ZINC000809689308 1026595869 /nfs/dbraw/zinc/59/58/69/1026595869.db2.gz XJSMNGJVTYRFDN-UHFFFAOYSA-N 1 0 300.377 3.774 20 10 DHCDRO Cc1ccc(F)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713702 1026602034 /nfs/dbraw/zinc/60/20/34/1026602034.db2.gz YTFBCELQGBRHGN-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1O ZINC000809747241 1026614944 /nfs/dbraw/zinc/61/49/44/1026614944.db2.gz MCXWMCWGCGKHJD-INIZCTEOSA-N 1 0 305.805 3.567 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000809757950 1026619079 /nfs/dbraw/zinc/61/90/79/1026619079.db2.gz XBSMTYDRDPQTQE-IBGZPJMESA-N 1 0 304.478 3.660 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265634 1026622913 /nfs/dbraw/zinc/62/29/13/1026622913.db2.gz XMMSPSJRZOINCO-JKSUJKDBSA-N 1 0 321.367 3.753 20 10 DHCDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809784391 1026624442 /nfs/dbraw/zinc/62/44/42/1026624442.db2.gz UMEZUMJPBGMDSG-SFHVURJKSA-N 1 0 315.413 3.993 20 10 DHCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(C)cc1O ZINC000280282322 1026625554 /nfs/dbraw/zinc/62/55/54/1026625554.db2.gz YQPUYIWKHBEMDM-WBVHZDCISA-N 1 0 305.443 3.711 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000809790601 1026628070 /nfs/dbraw/zinc/62/80/70/1026628070.db2.gz LHJXONGCIPLFGH-CYBMUJFWSA-N 1 0 303.789 3.620 20 10 DHCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000809791434 1026629055 /nfs/dbraw/zinc/62/90/55/1026629055.db2.gz YQYPDBBTGVJHOX-IBGZPJMESA-N 1 0 304.478 3.517 20 10 DHCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC000280388907 1026641673 /nfs/dbraw/zinc/64/16/73/1026641673.db2.gz WRUJCSPEUFZLSN-GOSISDBHSA-N 1 0 307.434 3.572 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047906 1026668619 /nfs/dbraw/zinc/66/86/19/1026668619.db2.gz OWHGAHUOKRRUQI-NRFANRHFSA-N 1 0 322.452 3.722 20 10 DHCDRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000810133778 1026684729 /nfs/dbraw/zinc/68/47/29/1026684729.db2.gz LUUAJQSTIQGDNC-APWZRJJASA-N 1 0 314.473 3.605 20 10 DHCDRO CC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000810160183 1026697732 /nfs/dbraw/zinc/69/77/32/1026697732.db2.gz XCPAGNQSXMDJDU-OAQYLSRUSA-N 1 0 323.436 3.589 20 10 DHCDRO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000810178741 1026699069 /nfs/dbraw/zinc/69/90/69/1026699069.db2.gz VLENRGKJDMNSDG-LJQANCHMSA-N 1 0 311.425 3.700 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217593 1026708764 /nfs/dbraw/zinc/70/87/64/1026708764.db2.gz HYNOGSQZHFBKLX-HIFRSBDPSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227788 1026712775 /nfs/dbraw/zinc/71/27/75/1026712775.db2.gz JMZQYWVRYJZMMZ-GXTWGEPZSA-N 1 0 317.351 3.613 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000810259241 1026718930 /nfs/dbraw/zinc/71/89/30/1026718930.db2.gz FPXXLJDXOMUBHT-OXJNMPFZSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810238590 1026725022 /nfs/dbraw/zinc/72/50/22/1026725022.db2.gz LAYAMDUJPKWYGI-OUJBWJOFSA-N 1 0 305.340 3.875 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810238817 1026725962 /nfs/dbraw/zinc/72/59/62/1026725962.db2.gz NTBPPWXYDILCRG-GXFFZTMASA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810257016 1026731756 /nfs/dbraw/zinc/73/17/56/1026731756.db2.gz LAYAMDUJPKWYGI-GIPNMCIBSA-N 1 0 305.340 3.875 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000811512287 1027027622 /nfs/dbraw/zinc/02/76/22/1027027622.db2.gz KHKVXZVDTTWEPV-FQEVSTJZSA-N 1 0 309.409 3.670 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1C ZINC000811513367 1027029633 /nfs/dbraw/zinc/02/96/33/1027029633.db2.gz UUCMVDWTGWPXAJ-LJQANCHMSA-N 1 0 322.452 3.646 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856805 1027164500 /nfs/dbraw/zinc/16/45/00/1027164500.db2.gz SKZHMVVOGJCIRQ-RYUDHWBXSA-N 1 0 316.357 3.721 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)cc2)CC1 ZINC000828576522 1027205688 /nfs/dbraw/zinc/20/56/88/1027205688.db2.gz NCEYNBUMTVJLIQ-SJORKVTESA-N 1 0 316.489 3.780 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931910191 1027300895 /nfs/dbraw/zinc/30/08/95/1027300895.db2.gz AXYCECIKDBNFMW-AWEZNQCLSA-N 1 0 316.342 3.619 20 10 DHCDRO C[C@@H]([NH2+]CCCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000812736490 1027381773 /nfs/dbraw/zinc/38/17/73/1027381773.db2.gz MUOJERYBXFTOEY-CYBMUJFWSA-N 1 0 314.832 3.577 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000812773496 1027398244 /nfs/dbraw/zinc/39/82/44/1027398244.db2.gz YMOIMUWYKMCAPE-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO COCC1(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000812824366 1027416101 /nfs/dbraw/zinc/41/61/01/1027416101.db2.gz ZOIKMFYHXNSQET-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCSCC(C)C)CC2)cc1 ZINC000812839664 1027440019 /nfs/dbraw/zinc/44/00/19/1027440019.db2.gz GBPXZYTVTSKACF-UHFFFAOYSA-N 1 0 322.518 3.643 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(OC)c1 ZINC001138386819 1027454397 /nfs/dbraw/zinc/45/43/97/1027454397.db2.gz XIQVGIOUOGIQTO-INIZCTEOSA-N 1 0 308.441 3.865 20 10 DHCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2sccc21 ZINC000296230428 1027582002 /nfs/dbraw/zinc/58/20/02/1027582002.db2.gz AGPUGLYOLGWZSH-KDOFPFPSSA-N 1 0 315.438 3.519 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)CC2 ZINC000296256798 1027588590 /nfs/dbraw/zinc/58/85/90/1027588590.db2.gz DCFHOLDASAUAAD-GFCCVEGCSA-N 1 0 308.303 3.583 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)c(OC)c(C)c2)c1 ZINC000813330742 1027609087 /nfs/dbraw/zinc/60/90/87/1027609087.db2.gz FXTDVLPLMMFYJD-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331670 1027609213 /nfs/dbraw/zinc/60/92/13/1027609213.db2.gz QWPMJSUSNBZOJG-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C(C)C)s2)c1 ZINC000813331153 1027609560 /nfs/dbraw/zinc/60/95/60/1027609560.db2.gz MAKFDTLGVVIMQL-NSHDSACASA-N 1 0 306.431 3.832 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706700 1027643192 /nfs/dbraw/zinc/64/31/92/1027643192.db2.gz KOOXSSGCSYORCT-OAHLLOKOSA-N 1 0 303.352 3.660 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296470234 1027647291 /nfs/dbraw/zinc/64/72/91/1027647291.db2.gz OJTHKPIRHNHWHB-WBMJQRKESA-N 1 0 313.445 3.990 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000296496511 1027653700 /nfs/dbraw/zinc/65/37/00/1027653700.db2.gz QUIDXRWNIZARBX-MRXNPFEDSA-N 1 0 316.470 3.511 20 10 DHCDRO COc1ncc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1Cl ZINC000296593697 1027680327 /nfs/dbraw/zinc/68/03/27/1027680327.db2.gz VDWDRMOCLVMABE-NSHDSACASA-N 1 0 306.793 3.608 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2F)c(O)c1 ZINC000813792348 1027713167 /nfs/dbraw/zinc/71/31/67/1027713167.db2.gz NXBJCNURUIUZHZ-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1C ZINC000813857475 1027729922 /nfs/dbraw/zinc/72/99/22/1027729922.db2.gz JKDNYYIXWSFVDN-WVZRYYJFSA-N 1 0 324.415 3.891 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC000296843235 1027742217 /nfs/dbraw/zinc/74/22/17/1027742217.db2.gz SYTZZJQUJPQCQA-UHFFFAOYSA-N 1 0 314.473 3.678 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)CCCCO)c(C)n1-c1ccccc1 ZINC000779002247 1027753636 /nfs/dbraw/zinc/75/36/36/1027753636.db2.gz KWXHQFKPVFEBHH-MRXNPFEDSA-N 1 0 314.473 3.777 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000813886386 1027754599 /nfs/dbraw/zinc/75/45/99/1027754599.db2.gz AZHRSHAKRFLHDQ-BXKDBHETSA-N 1 0 304.365 3.728 20 10 DHCDRO C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC000779015112 1027818469 /nfs/dbraw/zinc/81/84/69/1027818469.db2.gz MYYBRUAYDAYNPL-HZPDHXFCSA-N 1 0 303.446 3.952 20 10 DHCDRO CCc1nc([C@H]2CCC[N@@H+]([C@@H](CC)c3ccccc3O)C2)no1 ZINC000364624510 1027861332 /nfs/dbraw/zinc/86/13/32/1027861332.db2.gz SYFKONWGEGQECP-ZFWWWQNUSA-N 1 0 315.417 3.668 20 10 DHCDRO Cc1cccc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C(C)C)c1 ZINC000527814178 1027896266 /nfs/dbraw/zinc/89/62/66/1027896266.db2.gz PMYWRWRNNUFPBM-LJQANCHMSA-N 1 0 313.397 3.916 20 10 DHCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCC2 ZINC000814171301 1027906942 /nfs/dbraw/zinc/90/69/42/1027906942.db2.gz NYUHJEVGHXHIOB-IBGZPJMESA-N 1 0 314.473 3.534 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000814178133 1027914838 /nfs/dbraw/zinc/91/48/38/1027914838.db2.gz CYYVFPUTATXPFF-OAHLLOKOSA-N 1 0 309.837 3.603 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1 ZINC000527964239 1028009256 /nfs/dbraw/zinc/00/92/56/1028009256.db2.gz UNGNMMITVUQEBH-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168105152 1028183068 /nfs/dbraw/zinc/18/30/68/1028183068.db2.gz MUQAMARBPZDTTC-GLJUWKHASA-N 1 0 303.446 3.790 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc2c(cc1O)CCCC2 ZINC000779080156 1028190573 /nfs/dbraw/zinc/19/05/73/1028190573.db2.gz TWOVWRJSHQMQRC-CJNGLKHVSA-N 1 0 303.446 3.879 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C=CCCCCC1 ZINC000815011730 1028325034 /nfs/dbraw/zinc/32/50/34/1028325034.db2.gz YDYYGMDKSMVSRD-IBGZPJMESA-N 1 0 314.473 3.844 20 10 DHCDRO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000815009605 1028326145 /nfs/dbraw/zinc/32/61/45/1028326145.db2.gz HHAGUNCGHNQXEE-UHFFFAOYSA-N 1 0 313.401 3.601 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)ccc1N(C)C ZINC000815020170 1028328022 /nfs/dbraw/zinc/32/80/22/1028328022.db2.gz ZONKCFHBRVNSST-GOSISDBHSA-N 1 0 324.472 3.539 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000368327881 1028334597 /nfs/dbraw/zinc/33/45/97/1028334597.db2.gz NFPXSAUQAXRWRP-IAQYHMDHSA-N 1 0 317.360 3.714 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1N(C)C ZINC000815091546 1028341876 /nfs/dbraw/zinc/34/18/76/1028341876.db2.gz VIQPZSCNIKLXMY-QAPCUYQASA-N 1 0 310.441 3.715 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1OCCc2sccc21 ZINC000368370192 1028345083 /nfs/dbraw/zinc/34/50/83/1028345083.db2.gz NPZLNDAGYSHHDP-QLJPJBMISA-N 1 0 323.845 3.899 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000815109540 1028382869 /nfs/dbraw/zinc/38/28/69/1028382869.db2.gz GEQIIURYHUZWNK-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO Oc1ccc(Br)cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000815159050 1028386776 /nfs/dbraw/zinc/38/67/76/1028386776.db2.gz GUNROQLVXUUIFY-UHFFFAOYSA-N 1 0 319.202 3.651 20 10 DHCDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000815151026 1028404603 /nfs/dbraw/zinc/40/46/03/1028404603.db2.gz JDLVGVVHUHLQQT-UHFFFAOYSA-N 1 0 324.468 3.857 20 10 DHCDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1O ZINC000779148312 1028425758 /nfs/dbraw/zinc/42/57/58/1028425758.db2.gz BZBHKYPSRBSSIH-YVEFUNNKSA-N 1 0 305.805 3.911 20 10 DHCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000368995864 1028433167 /nfs/dbraw/zinc/43/31/67/1028433167.db2.gz UXPDEVBGRSUQJS-DOMZBBRYSA-N 1 0 317.408 3.517 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1c(F)cccc1F ZINC000075829124 1028536774 /nfs/dbraw/zinc/53/67/74/1028536774.db2.gz RHMXYRIZYKKHAB-KRWDZBQOSA-N 1 0 321.367 3.616 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815589410 1028559539 /nfs/dbraw/zinc/55/95/39/1028559539.db2.gz RLDYFLLTSICANP-IEBWSBKVSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c(O)c1 ZINC000815623483 1028574166 /nfs/dbraw/zinc/57/41/66/1028574166.db2.gz YTHLVSRNLXDYSY-SJLPKXTDSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1 ZINC000815619784 1028574623 /nfs/dbraw/zinc/57/46/23/1028574623.db2.gz XRTIZXBOGYKGFM-HZPDHXFCSA-N 1 0 315.461 3.833 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625187 1028577852 /nfs/dbraw/zinc/57/78/52/1028577852.db2.gz WVEAOSKVFHDRLH-HNAYVOBHSA-N 1 0 313.441 3.956 20 10 DHCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000779165602 1028585051 /nfs/dbraw/zinc/58/50/51/1028585051.db2.gz JRDFTPJMDYHKIT-LJQANCHMSA-N 1 0 311.425 3.795 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815642956 1028590553 /nfs/dbraw/zinc/59/05/53/1028590553.db2.gz PHKUPWLRMKQOGL-WDEREUQCSA-N 1 0 306.793 3.866 20 10 DHCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000815647542 1028591833 /nfs/dbraw/zinc/59/18/33/1028591833.db2.gz NGRGQVKSBVTMTD-CYBMUJFWSA-N 1 0 312.404 3.587 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c(O)c1C ZINC000815648839 1028594258 /nfs/dbraw/zinc/59/42/58/1028594258.db2.gz YXMCTKDGMHXVQQ-WBVHZDCISA-N 1 0 305.462 3.848 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC001170805755 1028648790 /nfs/dbraw/zinc/64/87/90/1028648790.db2.gz WFICUHRWBCXBDZ-RDTXWAMCSA-N 1 0 303.446 3.791 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(O)c1C ZINC000371871205 1028768811 /nfs/dbraw/zinc/76/88/11/1028768811.db2.gz YILYHCCIDRFNNF-PLYYQAHHSA-N 1 0 303.446 3.863 20 10 DHCDRO Oc1c(C[N@@H+]2CCCC3(CCOCC3)C2)ccc2ccccc21 ZINC000816513469 1028911170 /nfs/dbraw/zinc/91/11/70/1028911170.db2.gz RCJPDNIYORQQIR-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC000816520610 1028919380 /nfs/dbraw/zinc/91/93/80/1028919380.db2.gz TXRQCTXZIGIXOW-MSOLQXFVSA-N 1 0 310.441 3.604 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)N1CCCCC1 ZINC000816529003 1028921140 /nfs/dbraw/zinc/92/11/40/1028921140.db2.gz BUQNNWDNOMACEO-UHFFFAOYSA-N 1 0 312.457 3.900 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc2ccccc21 ZINC000816532452 1028923305 /nfs/dbraw/zinc/92/33/05/1028923305.db2.gz HWFKTKHGEXIGGG-KRWDZBQOSA-N 1 0 305.377 3.639 20 10 DHCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816560280 1028945491 /nfs/dbraw/zinc/94/54/91/1028945491.db2.gz KKSDFLPXZHJAQC-OAHLLOKOSA-N 1 0 313.441 3.824 20 10 DHCDRO CSc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccn1 ZINC000816564488 1028945533 /nfs/dbraw/zinc/94/55/33/1028945533.db2.gz HTRVXMJHZHIDQI-UHFFFAOYSA-N 1 0 310.422 3.952 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560476 1028945872 /nfs/dbraw/zinc/94/58/72/1028945872.db2.gz PZEXEYQYYOJPAV-IBGZPJMESA-N 1 0 311.425 3.936 20 10 DHCDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816559754 1028945993 /nfs/dbraw/zinc/94/59/93/1028945993.db2.gz UBOMCVOMBIZCDP-UHFFFAOYSA-N 1 0 322.364 3.786 20 10 DHCDRO C[C@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])[NH+]1CCCCC1 ZINC000816568128 1028948877 /nfs/dbraw/zinc/94/88/77/1028948877.db2.gz XJXHCQDPJXTESK-GFCCVEGCSA-N 1 0 314.832 3.539 20 10 DHCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816574813 1028952253 /nfs/dbraw/zinc/95/22/53/1028952253.db2.gz SNVVQPDEFWVHSY-UHFFFAOYSA-N 1 0 311.356 3.983 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccccc1)OCO2 ZINC000816630363 1028952603 /nfs/dbraw/zinc/95/26/03/1028952603.db2.gz BLAIDKDDBGXDNJ-IBGZPJMESA-N 1 0 323.392 3.848 20 10 DHCDRO Oc1c(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc2ccccc21 ZINC000816603441 1028956657 /nfs/dbraw/zinc/95/66/57/1028956657.db2.gz IBRGGCDGXFVKFW-UHFFFAOYSA-N 1 0 317.392 3.754 20 10 DHCDRO Cn1nccc1C1=CC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816607904 1028958808 /nfs/dbraw/zinc/95/88/08/1028958808.db2.gz JDYGTULZJJCVAD-UHFFFAOYSA-N 1 0 319.408 3.568 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000816667426 1028982963 /nfs/dbraw/zinc/98/29/63/1028982963.db2.gz NCAFJASJEHBUAK-LJQANCHMSA-N 1 0 304.478 3.660 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000817411680 1029152651 /nfs/dbraw/zinc/15/26/51/1029152651.db2.gz UGLHACJFDMFKCD-CWIOURORSA-N 1 0 316.514 3.889 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2CCc3cccnc3CC2)n1 ZINC000817576992 1029204162 /nfs/dbraw/zinc/20/41/62/1029204162.db2.gz BMYBTUSGOCTJGN-CQSZACIVSA-N 1 0 319.499 3.558 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000191011528 1029249644 /nfs/dbraw/zinc/24/96/44/1029249644.db2.gz GETIQMDASVLTAH-ZBFHGGJFSA-N 1 0 319.445 3.933 20 10 DHCDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1O ZINC000155590719 1029258017 /nfs/dbraw/zinc/25/80/17/1029258017.db2.gz WVMZOQPRFDBTPC-CQSZACIVSA-N 1 0 303.406 3.572 20 10 DHCDRO CCN(CC)c1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817888598 1029262654 /nfs/dbraw/zinc/26/26/54/1029262654.db2.gz MWKNOEQEWZDMBT-UXHICEINSA-N 1 0 309.457 3.767 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817934793 1029279365 /nfs/dbraw/zinc/27/93/65/1029279365.db2.gz PGJKFTNIYQMKRX-ONGXBYRLSA-N 1 0 323.484 3.726 20 10 DHCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000817939017 1029282493 /nfs/dbraw/zinc/28/24/93/1029282493.db2.gz XPOYKPQSCXNHRE-FZKQIMNGSA-N 1 0 317.864 3.757 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938621 1029284059 /nfs/dbraw/zinc/28/40/59/1029284059.db2.gz OMGHHVTXLJIEOJ-SUMWQHHRSA-N 1 0 317.502 3.727 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OC)c(OC)c1 ZINC000817955670 1029294591 /nfs/dbraw/zinc/29/45/91/1029294591.db2.gz FBDWLNMBAKVOIO-QGZVFWFLSA-N 1 0 314.429 3.569 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OC)c(OC)c1 ZINC000817955669 1029294784 /nfs/dbraw/zinc/29/47/84/1029294784.db2.gz FBDWLNMBAKVOIO-KRWDZBQOSA-N 1 0 314.429 3.569 20 10 DHCDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956712 1029297143 /nfs/dbraw/zinc/29/71/43/1029297143.db2.gz BAQGTKKAZQICHZ-HKUYNNGSSA-N 1 0 309.457 3.831 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ncc(-c2ccccc2)n1C ZINC000817957094 1029297443 /nfs/dbraw/zinc/29/74/43/1029297443.db2.gz IVLRUSVCXDHSPP-OAHLLOKOSA-N 1 0 320.440 3.563 20 10 DHCDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959431 1029302335 /nfs/dbraw/zinc/30/23/35/1029302335.db2.gz RGVDXZSNKKNOBE-APWZRJJASA-N 1 0 303.494 3.701 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961452 1029302722 /nfs/dbraw/zinc/30/27/22/1029302722.db2.gz YXUKQJCZFWAXTB-KWBADKCTSA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965168 1029305802 /nfs/dbraw/zinc/30/58/02/1029305802.db2.gz QMHLCPIXXCFAAV-INIZCTEOSA-N 1 0 301.478 3.599 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Cl)ccc1O ZINC000817974693 1029310255 /nfs/dbraw/zinc/31/02/55/1029310255.db2.gz NRGPHVOKPWTMPL-SJCJKPOMSA-N 1 0 316.832 3.583 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779400742 1029312524 /nfs/dbraw/zinc/31/25/24/1029312524.db2.gz PZQQZHWPIBLJBE-GOSISDBHSA-N 1 0 300.377 3.643 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817977290 1029314581 /nfs/dbraw/zinc/31/45/81/1029314581.db2.gz GSSJNLUEVFUVKY-NOZJJQNGSA-N 1 0 305.249 3.867 20 10 DHCDRO C[NH+](C)Cc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000155843142 1029316666 /nfs/dbraw/zinc/31/66/66/1029316666.db2.gz XOSQQFFCXUINND-UHFFFAOYSA-N 1 0 323.440 3.601 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(C)c3)C2)cc1 ZINC000818221773 1029356850 /nfs/dbraw/zinc/35/68/50/1029356850.db2.gz SWMRFBVFYDBCTR-SFHVURJKSA-N 1 0 310.441 3.620 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)ccc21 ZINC000374498011 1029362073 /nfs/dbraw/zinc/36/20/73/1029362073.db2.gz SXJOEEBLHHGGJG-PZJWPPBQSA-N 1 0 322.452 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccsc3)C2)cc1 ZINC000818344188 1029375758 /nfs/dbraw/zinc/37/57/58/1029375758.db2.gz KMGCXOWQWKTQTM-HUUCEWRRSA-N 1 0 316.470 3.934 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000374574035 1029390482 /nfs/dbraw/zinc/39/04/82/1029390482.db2.gz FIAMBROGQYWPHV-RUGDWHBFSA-N 1 0 302.462 3.607 20 10 DHCDRO Cc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1O ZINC000529669377 1029502567 /nfs/dbraw/zinc/50/25/67/1029502567.db2.gz MBVWWVFSDRPIGC-UHFFFAOYSA-N 1 0 321.424 3.504 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373519756 1029784600 /nfs/dbraw/zinc/78/46/00/1029784600.db2.gz GNKMENCQAQBXOC-PPDQVPDSSA-N 1 0 315.505 3.810 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2O)c(C)c1OC ZINC000290227957 1029955612 /nfs/dbraw/zinc/95/56/12/1029955612.db2.gz SMYYVGUAYAXUGE-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000865654262 1029962959 /nfs/dbraw/zinc/96/29/59/1029962959.db2.gz MVTSKKLQVRTLEK-MRXNPFEDSA-N 1 0 323.795 3.706 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000865654259 1029963525 /nfs/dbraw/zinc/96/35/25/1029963525.db2.gz MVTSKKLQVRTLEK-INIZCTEOSA-N 1 0 323.795 3.706 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000865727502 1029992035 /nfs/dbraw/zinc/99/20/35/1029992035.db2.gz ZXCQUBZTTUBYQA-SFHVURJKSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1O)c1cccc(OC)c1OC ZINC000865758737 1030008556 /nfs/dbraw/zinc/00/85/56/1030008556.db2.gz MSIWHNNWWZYQGG-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO c1csc(SCCC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000866269620 1030192100 /nfs/dbraw/zinc/19/21/00/1030192100.db2.gz LEXSJSARYSPDBQ-UONOGXRCSA-N 1 0 312.504 3.563 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnn1C1CCC1 ZINC000924862930 1030212150 /nfs/dbraw/zinc/21/21/50/1030212150.db2.gz SGNIGRCUXWQLMI-ZDUSSCGKSA-N 1 0 316.424 3.664 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245951909 1030212798 /nfs/dbraw/zinc/21/27/98/1030212798.db2.gz XFHAZDSCKUFOEO-CZUORRHYSA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925082759 1030265322 /nfs/dbraw/zinc/26/53/22/1030265322.db2.gz YJUAQXRBSVJWHM-CYBMUJFWSA-N 1 0 302.393 3.757 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000291038277 1030304461 /nfs/dbraw/zinc/30/44/61/1030304461.db2.gz YXZJLHVQCCMWLH-HOTGVXAUSA-N 1 0 307.821 3.579 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1cc2c(cc1O)CCCC2 ZINC000866472930 1030310430 /nfs/dbraw/zinc/31/04/30/1030310430.db2.gz HBIBGZAOJCFWSZ-GFCCVEGCSA-N 1 0 300.377 3.656 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(N(C)C)cc1 ZINC000866478848 1030311743 /nfs/dbraw/zinc/31/17/43/1030311743.db2.gz NHHPASAGJKZRED-HNNXBMFYSA-N 1 0 310.441 3.676 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)o1 ZINC000866479115 1030315421 /nfs/dbraw/zinc/31/54/21/1030315421.db2.gz PVJHSJKFKUXNSK-JTQLQIEISA-N 1 0 310.191 3.907 20 10 DHCDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1O ZINC000866482671 1030319723 /nfs/dbraw/zinc/31/97/23/1030319723.db2.gz ZYBFHXKJQSEHJZ-GUYCJALGSA-N 1 0 307.409 3.921 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)ccc1O ZINC000866499771 1030326535 /nfs/dbraw/zinc/32/65/35/1030326535.db2.gz NQWHKMKTYOBRIP-WQGWLQIFSA-N 1 0 324.140 3.756 20 10 DHCDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823596040 1030335419 /nfs/dbraw/zinc/33/54/19/1030335419.db2.gz DMYKPORYPGNVHM-CQSZACIVSA-N 1 0 304.459 3.509 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCC(=O)c2ccccc2)C2CC2)cc1 ZINC000777558502 1030345528 /nfs/dbraw/zinc/34/55/28/1030345528.db2.gz IHIANMBBHYSCAG-UHFFFAOYSA-N 1 0 322.452 3.990 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(C)cc1O ZINC000866531739 1030353061 /nfs/dbraw/zinc/35/30/61/1030353061.db2.gz SPIFJNOMQSTVSG-RDJZCZTQSA-N 1 0 303.446 3.948 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000866539612 1030359817 /nfs/dbraw/zinc/35/98/17/1030359817.db2.gz DWTQYXIDSXEJJA-LLVKDONJSA-N 1 0 304.321 3.599 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(C)cc1O ZINC000866539464 1030360604 /nfs/dbraw/zinc/36/06/04/1030360604.db2.gz MHYBPSOYKFRLNG-SZMVWBNQSA-N 1 0 303.446 3.804 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSCCC(F)(F)F)c1 ZINC000866542598 1030363614 /nfs/dbraw/zinc/36/36/14/1030363614.db2.gz FUBCOCYDHULZJM-SNVBAGLBSA-N 1 0 323.380 3.737 20 10 DHCDRO COc1cc(F)cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000823729651 1030383408 /nfs/dbraw/zinc/38/34/08/1030383408.db2.gz IMEHIURSKYOMCD-UHFFFAOYSA-N 1 0 314.404 3.507 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000823851319 1030412579 /nfs/dbraw/zinc/41/25/79/1030412579.db2.gz JRSGURDDGMWYJL-UHFFFAOYSA-N 1 0 307.800 3.538 20 10 DHCDRO CC(C)OCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824161253 1030487736 /nfs/dbraw/zinc/48/77/36/1030487736.db2.gz LTKNXBJZAUEXLJ-UHFFFAOYSA-N 1 0 318.486 3.899 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c(O)c1 ZINC000824483565 1030563512 /nfs/dbraw/zinc/56/35/12/1030563512.db2.gz QMUSHLVJSUCDND-CQSZACIVSA-N 1 0 315.438 3.770 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000824462598 1030566726 /nfs/dbraw/zinc/56/67/26/1030566726.db2.gz GSYPIUITOSHGRH-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824522787 1030572605 /nfs/dbraw/zinc/57/26/05/1030572605.db2.gz SFYAWDYCVPQZSY-UHFFFAOYSA-N 1 0 303.402 3.923 20 10 DHCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636116 1030598035 /nfs/dbraw/zinc/59/80/35/1030598035.db2.gz LVXGCQAUGUCLAG-PKOBYXMFSA-N 1 0 311.425 3.652 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1F ZINC000824765855 1030627182 /nfs/dbraw/zinc/62/71/82/1030627182.db2.gz PUEIPRJQDUFHFD-CYBMUJFWSA-N 1 0 305.224 3.565 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824772770 1030629753 /nfs/dbraw/zinc/62/97/53/1030629753.db2.gz HVLXPGQZHYFVMM-GFCCVEGCSA-N 1 0 324.635 3.728 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000824774270 1030632745 /nfs/dbraw/zinc/63/27/45/1030632745.db2.gz SCKAQABZOCSULW-RNCFNFMXSA-N 1 0 304.217 3.635 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000824750643 1030635232 /nfs/dbraw/zinc/63/52/32/1030635232.db2.gz MMRSYYVISRRUTJ-SFHVURJKSA-N 1 0 316.489 3.972 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)cc1F ZINC000824815724 1030644485 /nfs/dbraw/zinc/64/44/85/1030644485.db2.gz XQWZCFBMHZOEKS-KSSFIOAISA-N 1 0 308.441 3.529 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000824815587 1030646531 /nfs/dbraw/zinc/64/65/31/1030646531.db2.gz UGQAJOSFRGDURJ-QFBILLFUSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(N(C)C)cc1 ZINC000926211136 1030658027 /nfs/dbraw/zinc/65/80/27/1030658027.db2.gz XLBIUQAZOFBUQI-ASFAAARLSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926813 1030673919 /nfs/dbraw/zinc/67/39/19/1030673919.db2.gz HKQBZJPCJVZJTC-MLGOLLRUSA-N 1 0 319.836 3.634 20 10 DHCDRO CCOc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000824971740 1030687996 /nfs/dbraw/zinc/68/79/96/1030687996.db2.gz XSNNVSRSQGGAAJ-CQSZACIVSA-N 1 0 318.244 3.855 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1O ZINC000824968554 1030689018 /nfs/dbraw/zinc/68/90/18/1030689018.db2.gz CAGGPKOXYWYEJU-CQSZACIVSA-N 1 0 318.244 3.855 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(C(F)(F)F)cc1O ZINC000825079102 1030719326 /nfs/dbraw/zinc/71/93/26/1030719326.db2.gz LPWDAZACOQQQQS-CYBMUJFWSA-N 1 0 317.351 3.878 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000825085964 1030720194 /nfs/dbraw/zinc/72/01/94/1030720194.db2.gz OIGLGVKAUULWEW-GDBMZVCRSA-N 1 0 303.427 3.772 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(COC)CCCC2)ccc1OC ZINC000825245273 1030759227 /nfs/dbraw/zinc/75/92/27/1030759227.db2.gz HMZXBIBYACCHIV-UHFFFAOYSA-N 1 0 321.461 3.528 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC000825279874 1030763787 /nfs/dbraw/zinc/76/37/87/1030763787.db2.gz ZEBKVEDEVMIORA-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000825279866 1030765482 /nfs/dbraw/zinc/76/54/82/1030765482.db2.gz ZAJMCTXTESMTOL-SUMWQHHRSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1Cl ZINC000825327266 1030775922 /nfs/dbraw/zinc/77/59/22/1030775922.db2.gz XLDQLGOIMMUPCA-MRXNPFEDSA-N 1 0 321.852 3.965 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000825359051 1030786781 /nfs/dbraw/zinc/78/67/81/1030786781.db2.gz XIKWPCIYQVBKGB-CJNGLKHVSA-N 1 0 311.853 3.775 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1Cl ZINC000825394580 1030801508 /nfs/dbraw/zinc/80/15/08/1030801508.db2.gz CAUAZXDUAWLJLJ-ACJLOTCBSA-N 1 0 319.832 3.956 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1Cl ZINC000825412170 1030805478 /nfs/dbraw/zinc/80/54/78/1030805478.db2.gz DPVVOOYUUCOWAX-INIZCTEOSA-N 1 0 309.837 3.745 20 10 DHCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825451726 1030816204 /nfs/dbraw/zinc/81/62/04/1030816204.db2.gz ZHBIVJOXTXHKIO-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCCC1 ZINC000322159823 1030825542 /nfs/dbraw/zinc/82/55/42/1030825542.db2.gz AYNUZAOKSGVQAX-KRWDZBQOSA-N 1 0 316.489 3.972 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000926765691 1030910455 /nfs/dbraw/zinc/91/04/55/1030910455.db2.gz ZOQDBGXBKWEYKB-HNNXBMFYSA-N 1 0 306.413 3.735 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000321935874 1030983745 /nfs/dbraw/zinc/98/37/45/1030983745.db2.gz WCKBWWYCINPOFG-KRWDZBQOSA-N 1 0 310.441 3.606 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(N)c1 ZINC000844220308 1030997451 /nfs/dbraw/zinc/99/74/51/1030997451.db2.gz CXFVLWCEFUHUJW-UHFFFAOYSA-N 1 0 309.457 3.891 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2O ZINC000926949755 1031013348 /nfs/dbraw/zinc/01/33/48/1031013348.db2.gz NSRCGPNFKCGLEK-WYOJIJJFSA-N 1 0 303.299 3.868 20 10 DHCDRO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000926965471 1031019492 /nfs/dbraw/zinc/01/94/92/1031019492.db2.gz WDCQFGHOYWAEST-ZANVPECISA-N 1 0 324.774 3.579 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000927036620 1031045744 /nfs/dbraw/zinc/04/57/44/1031045744.db2.gz KXOPCJPOCHQFNQ-QWHCGFSZSA-N 1 0 307.459 3.870 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000927070064 1031071472 /nfs/dbraw/zinc/07/14/72/1031071472.db2.gz ZHEUITFFQSIOSU-KBXCAEBGSA-N 1 0 300.450 3.534 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927112716 1031097600 /nfs/dbraw/zinc/09/76/00/1031097600.db2.gz QFFDDCGCJACPNU-SFHVURJKSA-N 1 0 312.461 3.604 20 10 DHCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123530771 1031167550 /nfs/dbraw/zinc/16/75/50/1031167550.db2.gz PYINBILBYBTRJV-MAUKXSAKSA-N 1 0 322.468 3.874 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC001171154538 1031386380 /nfs/dbraw/zinc/38/63/80/1031386380.db2.gz AGNRLZUZAZAUMU-CYBMUJFWSA-N 1 0 307.821 3.870 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCc3ccccc3N1)CC2 ZINC000844923380 1031401774 /nfs/dbraw/zinc/40/17/74/1031401774.db2.gz FUOXSAXWVDOHCP-FUHWJXTLSA-N 1 0 308.425 3.786 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2CCOC3(CCCC3)C2)n1 ZINC000872038982 1031423955 /nfs/dbraw/zinc/42/39/55/1031423955.db2.gz QEAJWVNNCDJTGO-ZDUSSCGKSA-N 1 0 312.504 3.707 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3oc(=O)[nH]c3c2)c(O)c1C ZINC000872122407 1031514338 /nfs/dbraw/zinc/51/43/38/1031514338.db2.gz FNKPQBYYDXITME-GFCCVEGCSA-N 1 0 312.369 3.707 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000124028165 1031575775 /nfs/dbraw/zinc/57/57/75/1031575775.db2.gz NMMQYPHOJHZPCG-FQEVSTJZSA-N 1 0 310.441 3.764 20 10 DHCDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(C)c(C)cc1O)CC2 ZINC000872660803 1031640328 /nfs/dbraw/zinc/64/03/28/1031640328.db2.gz XUCONPYEYDTUBS-UHFFFAOYSA-N 1 0 324.424 3.526 20 10 DHCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000293848598 1031654474 /nfs/dbraw/zinc/65/44/74/1031654474.db2.gz XESQYAMGRUJWJM-MRVPVSSYSA-N 1 0 320.177 3.851 20 10 DHCDRO CCCOc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1C ZINC000873060728 1031700118 /nfs/dbraw/zinc/70/01/18/1031700118.db2.gz MQBFKALPJFEDLY-UHFFFAOYSA-N 1 0 301.434 3.542 20 10 DHCDRO Cc1cc(C[N@@H+](C)Cc2cccn2C)c(O)c(C(C)(C)C)c1 ZINC000760403113 1031705159 /nfs/dbraw/zinc/70/51/59/1031705159.db2.gz XPTLHRKBEGRNRM-UHFFFAOYSA-N 1 0 300.446 3.969 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1C ZINC000873106605 1031712671 /nfs/dbraw/zinc/71/26/71/1031712671.db2.gz BZWPPWJFQJAYHJ-INIZCTEOSA-N 1 0 305.443 3.669 20 10 DHCDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(F)cc1O ZINC000757614659 1031724738 /nfs/dbraw/zinc/72/47/38/1031724738.db2.gz RPHCTUMWCJJFEY-NSHDSACASA-N 1 0 306.356 3.905 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)ccc(C)c2F)c1 ZINC000930216391 1031738221 /nfs/dbraw/zinc/73/82/21/1031738221.db2.gz GWTDPFDILVQJMX-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000873183399 1031745066 /nfs/dbraw/zinc/74/50/66/1031745066.db2.gz KNPUJIPGDMULMH-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846010866 1031805559 /nfs/dbraw/zinc/80/55/59/1031805559.db2.gz RUUDVSCXMZZESU-SFHVURJKSA-N 1 0 317.816 3.529 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000846039110 1031832745 /nfs/dbraw/zinc/83/27/45/1031832745.db2.gz UERBGPMCTLXEAV-CABCVRRESA-N 1 0 301.789 3.585 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846044919 1031837822 /nfs/dbraw/zinc/83/78/22/1031837822.db2.gz UDHMZHLHBFHTOP-HZQHCPKGSA-N 1 0 314.473 3.561 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000846043376 1031838762 /nfs/dbraw/zinc/83/87/62/1031838762.db2.gz YRRJCKWQOFSTSZ-INIZCTEOSA-N 1 0 309.837 3.649 20 10 DHCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846055895 1031847113 /nfs/dbraw/zinc/84/71/13/1031847113.db2.gz IQYJMOHHBCFUDQ-RTBURBONSA-N 1 0 302.462 3.724 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000846118826 1031866808 /nfs/dbraw/zinc/86/68/08/1031866808.db2.gz ZODMWMAWAJFZJK-INIZCTEOSA-N 1 0 312.379 3.903 20 10 DHCDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846150442 1031885035 /nfs/dbraw/zinc/88/50/35/1031885035.db2.gz HKHUAEDFVCXXKK-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1O ZINC000846155086 1031885166 /nfs/dbraw/zinc/88/51/66/1031885166.db2.gz DLNRIRDKABBXEJ-CABCVRRESA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000846155252 1031886145 /nfs/dbraw/zinc/88/61/45/1031886145.db2.gz VUMRKNYTCYFCEK-CJNGLKHVSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc(OC)c3O)CC2)c1 ZINC000846160511 1031890877 /nfs/dbraw/zinc/89/08/77/1031890877.db2.gz PHYUDBQPBXGQDZ-ZDUSSCGKSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000846165891 1031895523 /nfs/dbraw/zinc/89/55/23/1031895523.db2.gz PFKJMSOBYFBRCR-NHYWBVRUSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(OC)c2ccccc2)c1O ZINC000846168176 1031896224 /nfs/dbraw/zinc/89/62/24/1031896224.db2.gz HVDLIUAEHHEZLI-IFXJQAMLSA-N 1 0 315.413 3.613 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1O ZINC000846168318 1031897559 /nfs/dbraw/zinc/89/75/59/1031897559.db2.gz SBXDQPGOADCAGN-ABAIWWIYSA-N 1 0 317.816 3.872 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2c(C)cccc2C)c1O ZINC000846141638 1031903676 /nfs/dbraw/zinc/90/36/76/1031903676.db2.gz LHDMAOGCZNHFIC-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145197 1031906270 /nfs/dbraw/zinc/90/62/70/1031906270.db2.gz MBWKKTVUTGFWQK-AWEZNQCLSA-N 1 0 314.429 3.708 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)c1O ZINC000846143245 1031906469 /nfs/dbraw/zinc/90/64/69/1031906469.db2.gz CWMHQIIOQGVXFE-ZIAGYGMSSA-N 1 0 315.413 3.778 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCCc2nc(C)cs2)c1O ZINC000846145253 1031907594 /nfs/dbraw/zinc/90/75/94/1031907594.db2.gz MKUZGZUQVWMZFK-ZDUSSCGKSA-N 1 0 320.458 3.839 20 10 DHCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001142527134 1031907953 /nfs/dbraw/zinc/90/79/53/1031907953.db2.gz LWFFVHMTWBNVFC-UHFFFAOYSA-N 1 0 318.367 3.520 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000846210124 1031909728 /nfs/dbraw/zinc/90/97/28/1031909728.db2.gz XQKJFHBRVHFQRX-ZDUSSCGKSA-N 1 0 313.397 3.592 20 10 DHCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209907 1031909873 /nfs/dbraw/zinc/90/98/73/1031909873.db2.gz ITVORHYBXIJVQB-JTQLQIEISA-N 1 0 318.244 3.902 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2OC)c1O ZINC000846146649 1031910959 /nfs/dbraw/zinc/91/09/59/1031910959.db2.gz RVYSZFKUADQMEW-LLVKDONJSA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c(O)c1C ZINC000846186787 1031918446 /nfs/dbraw/zinc/91/84/46/1031918446.db2.gz GAKXXPCTPZKPCH-RDTXWAMCSA-N 1 0 303.446 3.865 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@](C)(O)c1ccccc1 ZINC000846185538 1031919403 /nfs/dbraw/zinc/91/94/03/1031919403.db2.gz APTYROHJTRQKER-JCGVRSQUSA-N 1 0 319.832 3.992 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(C)cc1O ZINC000846189879 1031920951 /nfs/dbraw/zinc/92/09/51/1031920951.db2.gz VPXBBJGLVUDCGD-MJGOQNOKSA-N 1 0 303.446 3.947 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(C)cc1O ZINC000846189877 1031921937 /nfs/dbraw/zinc/92/19/37/1031921937.db2.gz VPXBBJGLVUDCGD-HKUYNNGSSA-N 1 0 303.446 3.947 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CC(C)(C)CC(=O)OC ZINC000825710180 1031964142 /nfs/dbraw/zinc/96/41/42/1031964142.db2.gz HWMHGGHMAYDKDT-HNNXBMFYSA-N 1 0 320.477 3.730 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124843592 1031981221 /nfs/dbraw/zinc/98/12/21/1031981221.db2.gz NYWQKMJWFJMWFE-RTBURBONSA-N 1 0 316.420 3.666 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898322951 1032022064 /nfs/dbraw/zinc/02/20/64/1032022064.db2.gz VFDWWKRLOFYYCZ-INIZCTEOSA-N 1 0 318.804 3.690 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168286851 1032049357 /nfs/dbraw/zinc/04/93/57/1032049357.db2.gz KTJZZPYPOWNVNA-HXUWFJFHSA-N 1 0 324.468 3.751 20 10 DHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1O)CCO2 ZINC000877417122 1033296517 /nfs/dbraw/zinc/29/65/17/1033296517.db2.gz NJXUWQAWPGGQJF-KRWDZBQOSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1cc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)ccc1N1CCCCC1 ZINC000860089744 1033298851 /nfs/dbraw/zinc/29/88/51/1033298851.db2.gz MDFQHPFHKVVVBE-IEBWSBKVSA-N 1 0 316.489 3.578 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)c(O)c1 ZINC000877493664 1033321183 /nfs/dbraw/zinc/32/11/83/1033321183.db2.gz ODFWJEXDGXQVJK-LJQANCHMSA-N 1 0 315.413 3.657 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000877516613 1033330399 /nfs/dbraw/zinc/33/03/99/1033330399.db2.gz GYAPVKDWLIOIKB-VAMGGRTRSA-N 1 0 323.436 3.705 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(O)c1 ZINC000877512899 1033331573 /nfs/dbraw/zinc/33/15/73/1033331573.db2.gz FNFPHRJIWNDHRV-UHFFFAOYSA-N 1 0 314.404 3.730 20 10 DHCDRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(O)c1 ZINC000877519673 1033334335 /nfs/dbraw/zinc/33/43/35/1033334335.db2.gz ZEHHAKMEENOLML-VAMGGRTRSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c1 ZINC000877533497 1033340667 /nfs/dbraw/zinc/34/06/67/1033340667.db2.gz PEHDBTHMUJFXIF-NJSLBKSFSA-N 1 0 315.413 3.828 20 10 DHCDRO CCOc1cc(F)cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000877533752 1033341153 /nfs/dbraw/zinc/34/11/53/1033341153.db2.gz ROMZEECRBZDFMR-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO CCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877568218 1033360989 /nfs/dbraw/zinc/36/09/89/1033360989.db2.gz HSCZDPXHSYYEDL-UHFFFAOYSA-N 1 0 316.489 3.850 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000877627915 1033388297 /nfs/dbraw/zinc/38/82/97/1033388297.db2.gz ZSJVLRDAWYWLKH-UHFFFAOYSA-N 1 0 301.361 3.671 20 10 DHCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)ccc2O)c1C ZINC000877664190 1033402049 /nfs/dbraw/zinc/40/20/49/1033402049.db2.gz MKBJOALJFWXYOW-UHFFFAOYSA-N 1 0 307.825 3.511 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672697 1033407590 /nfs/dbraw/zinc/40/75/90/1033407590.db2.gz KXWDLWPCIRPNRY-OALUTQOASA-N 1 0 311.425 3.653 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000877685335 1033412080 /nfs/dbraw/zinc/41/20/80/1033412080.db2.gz VEKCLSZFCGEHFO-QMMMGPOBSA-N 1 0 312.822 3.670 20 10 DHCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877711499 1033421626 /nfs/dbraw/zinc/42/16/26/1033421626.db2.gz LRRBRXHRPORHET-UHFFFAOYSA-N 1 0 314.832 3.537 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1O ZINC000877757388 1033436184 /nfs/dbraw/zinc/43/61/84/1033436184.db2.gz WTABGAKAPDQLAN-LBPRGKRZSA-N 1 0 307.340 3.887 20 10 DHCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877796470 1033454296 /nfs/dbraw/zinc/45/42/96/1033454296.db2.gz NVRJYFOJPVSNSM-SFHVURJKSA-N 1 0 316.489 3.660 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CC)c2nccs2)c1 ZINC000152603127 1033532710 /nfs/dbraw/zinc/53/27/10/1033532710.db2.gz BRNXKKVQLKCMET-MRXNPFEDSA-N 1 0 306.431 3.662 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153109926 1033562579 /nfs/dbraw/zinc/56/25/79/1033562579.db2.gz SPAWGSGWAGSYLA-LSDHHAIUSA-N 1 0 306.425 3.503 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1Cl ZINC000826016410 1033584104 /nfs/dbraw/zinc/58/41/04/1033584104.db2.gz IOUJZYNWOAHNIH-KRWDZBQOSA-N 1 0 311.853 3.585 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC001173221122 1033600321 /nfs/dbraw/zinc/60/03/21/1033600321.db2.gz JDTJXCYSFLUJKG-CQSZACIVSA-N 1 0 314.385 3.638 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000826049738 1033751553 /nfs/dbraw/zinc/75/15/53/1033751553.db2.gz YJJYOJTZWURZMP-UAGQMJEPSA-N 1 0 323.864 3.870 20 10 DHCDRO CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](C)c1ccccc1O)CC2 ZINC001173611204 1033792906 /nfs/dbraw/zinc/79/29/06/1033792906.db2.gz NYRYRVDMNOMBPV-NYNFEOTOSA-N 1 0 317.429 3.555 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000862242788 1033793337 /nfs/dbraw/zinc/79/33/37/1033793337.db2.gz QXWKKEMQBPZZBW-LLVKDONJSA-N 1 0 322.202 3.737 20 10 DHCDRO CN(C)c1cc(F)c(CN(Cc2ccccn2)C2CC2)cc1F ZINC000862369071 1033830952 /nfs/dbraw/zinc/83/09/52/1033830952.db2.gz SLMAEUPYNSQKMF-UHFFFAOYSA-N 1 0 317.383 3.590 20 10 DHCDRO CSC[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862373994 1033833030 /nfs/dbraw/zinc/83/30/30/1033833030.db2.gz JMYSYBQHWYUFKE-LBPRGKRZSA-N 1 0 314.445 3.606 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482679 1033866509 /nfs/dbraw/zinc/86/65/09/1033866509.db2.gz KWAAUSQVHMNSDN-SFHVURJKSA-N 1 0 317.816 3.529 20 10 DHCDRO Oc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000862541641 1033881656 /nfs/dbraw/zinc/88/16/56/1033881656.db2.gz YVXVBSUJXBMAMU-CYBMUJFWSA-N 1 0 303.789 3.741 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000862549355 1033885277 /nfs/dbraw/zinc/88/52/77/1033885277.db2.gz AFUTWYKRSZALPO-SFHVURJKSA-N 1 0 312.413 3.599 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)CC(C)(C)OC)ccc1OC ZINC000174553476 1033941998 /nfs/dbraw/zinc/94/19/98/1033941998.db2.gz UGQPZVSGBGGNEC-CQSZACIVSA-N 1 0 309.450 3.525 20 10 DHCDRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649055 1034072253 /nfs/dbraw/zinc/07/22/53/1034072253.db2.gz KOHBIYANCFZDLT-KGLIPLIRSA-N 1 0 312.413 3.632 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000879650955 1034074167 /nfs/dbraw/zinc/07/41/67/1034074167.db2.gz ZUANFJGSHKGELZ-MGPLVRAMSA-N 1 0 309.768 3.569 20 10 DHCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000863543831 1034123731 /nfs/dbraw/zinc/12/37/31/1034123731.db2.gz ZXHVAHBTWYBTJL-JCGIZDLHSA-N 1 0 319.468 3.607 20 10 DHCDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178278912 1034226112 /nfs/dbraw/zinc/22/61/12/1034226112.db2.gz AHFOMWADRHOTSX-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000794650934 1034328869 /nfs/dbraw/zinc/32/88/69/1034328869.db2.gz UJUXDRDRVFYNQJ-IBGZPJMESA-N 1 0 321.461 3.699 20 10 DHCDRO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccccc1O ZINC000183396415 1034383326 /nfs/dbraw/zinc/38/33/26/1034383326.db2.gz GGRHMOVDMZHYTA-VQIMIIECSA-N 1 0 310.441 3.880 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000183445242 1034388948 /nfs/dbraw/zinc/38/89/48/1034388948.db2.gz YEUPDFNRLHTWFF-CABCVRRESA-N 1 0 314.404 3.708 20 10 DHCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCCC2)o1 ZINC000183479984 1034390207 /nfs/dbraw/zinc/39/02/07/1034390207.db2.gz OEDIXOUXBJMODD-DOTOQJQBSA-N 1 0 314.429 3.781 20 10 DHCDRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183512902 1034393492 /nfs/dbraw/zinc/39/34/92/1034393492.db2.gz ZJBNOQFXDPKUKP-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183597733 1034401651 /nfs/dbraw/zinc/40/16/51/1034401651.db2.gz SJCWTXLBFZQNTB-WMLDXEAASA-N 1 0 313.397 3.737 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nc(C)cs1 ZINC000184392830 1034470126 /nfs/dbraw/zinc/47/01/26/1034470126.db2.gz XBPLDCURFYWQRV-CQSZACIVSA-N 1 0 322.405 3.740 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccc(C)cc1O ZINC000794797966 1034470340 /nfs/dbraw/zinc/47/03/40/1034470340.db2.gz RMYMIAJTEJIMFV-ROUUACIJSA-N 1 0 304.478 3.862 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccc(C)cc1O ZINC000794797969 1034470674 /nfs/dbraw/zinc/47/06/74/1034470674.db2.gz RMYMIAJTEJIMFV-ZWKOTPCHSA-N 1 0 304.478 3.862 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(C)cc1O ZINC000794801895 1034472406 /nfs/dbraw/zinc/47/24/06/1034472406.db2.gz LMRQCWHTWHIANJ-MRXNPFEDSA-N 1 0 301.434 3.794 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(C)cc1O ZINC000794794328 1034475290 /nfs/dbraw/zinc/47/52/90/1034475290.db2.gz LWUSTEPWQNWBHI-ZBFHGGJFSA-N 1 0 313.397 3.581 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794805554 1034490544 /nfs/dbraw/zinc/49/05/44/1034490544.db2.gz XEUYIGMGNXGYHW-SCLBCKFNSA-N 1 0 315.461 3.723 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(C)cc1O ZINC000794805496 1034490746 /nfs/dbraw/zinc/49/07/46/1034490746.db2.gz XWLIJHUVASPEOC-AWEZNQCLSA-N 1 0 301.415 3.651 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000184691613 1034492057 /nfs/dbraw/zinc/49/20/57/1034492057.db2.gz LOUWZSAKHKQYAJ-NSHDSACASA-N 1 0 321.804 3.953 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000184708768 1034496891 /nfs/dbraw/zinc/49/68/91/1034496891.db2.gz CMCYFMOPXHGZEK-UHFFFAOYSA-N 1 0 321.779 3.972 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1cccnc1 ZINC000184883256 1034507843 /nfs/dbraw/zinc/50/78/43/1034507843.db2.gz VNNVIFCCXCKJTN-GHMZBOCLSA-N 1 0 321.218 3.962 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Br)cc1O ZINC000184883238 1034507914 /nfs/dbraw/zinc/50/79/14/1034507914.db2.gz VNNVIFCCXCKJTN-WDEREUQCSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000185046027 1034524411 /nfs/dbraw/zinc/52/44/11/1034524411.db2.gz KHQYHTNXAXGPTF-CQSZACIVSA-N 1 0 300.402 3.734 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccc(C)cc1O ZINC000794817602 1034527152 /nfs/dbraw/zinc/52/71/52/1034527152.db2.gz UJCGWNJVZIMIOS-DLBZAZTESA-N 1 0 315.461 3.915 20 10 DHCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185136388 1034529632 /nfs/dbraw/zinc/52/96/32/1034529632.db2.gz FFLVTWYOBUWKGA-LLVKDONJSA-N 1 0 300.402 3.727 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000185208135 1034535552 /nfs/dbraw/zinc/53/55/52/1034535552.db2.gz CSYZRRCDSUXMPI-QGZVFWFLSA-N 1 0 311.429 3.628 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216381 1034535691 /nfs/dbraw/zinc/53/56/91/1034535691.db2.gz FBKYOATUHIFXIS-APPDUMDISA-N 1 0 301.361 3.878 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C)cc1O ZINC000794816797 1034537153 /nfs/dbraw/zinc/53/71/53/1034537153.db2.gz KQKZIYHCLKEZSX-PKOBYXMFSA-N 1 0 313.441 3.735 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C)cc1O ZINC000794819682 1034543597 /nfs/dbraw/zinc/54/35/97/1034543597.db2.gz XHKFVMIBIXSLMA-ICSRJNTNSA-N 1 0 311.425 3.575 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1C ZINC000794825308 1034547864 /nfs/dbraw/zinc/54/78/64/1034547864.db2.gz MGLJIKGNPSEQDW-TZMCWYRMSA-N 1 0 322.449 3.573 20 10 DHCDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C)cc1O ZINC000794829993 1034547956 /nfs/dbraw/zinc/54/79/56/1034547956.db2.gz XAGRYTVMQSRASV-LBPRGKRZSA-N 1 0 323.330 3.658 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185513577 1034554075 /nfs/dbraw/zinc/55/40/75/1034554075.db2.gz UDNPZUUDBMHYJG-KPZWWZAWSA-N 1 0 317.454 3.717 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185528772 1034554971 /nfs/dbraw/zinc/55/49/71/1034554971.db2.gz HFSOWCLSQDHZDN-MEBBXXQBSA-N 1 0 311.834 3.665 20 10 DHCDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1O ZINC000185532966 1034557520 /nfs/dbraw/zinc/55/75/20/1034557520.db2.gz BESNNKIMONORGB-SUMWQHHRSA-N 1 0 303.377 3.696 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000185548807 1034557559 /nfs/dbraw/zinc/55/75/59/1034557559.db2.gz WMCKMBWKRMROBE-XHDPSFHLSA-N 1 0 307.365 3.725 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000120461285 1034566186 /nfs/dbraw/zinc/56/61/86/1034566186.db2.gz DAZLZBRDJPLKGF-ACJLOTCBSA-N 1 0 318.848 3.790 20 10 DHCDRO Oc1ccccc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000185714667 1034568725 /nfs/dbraw/zinc/56/87/25/1034568725.db2.gz QLKBBFPYAXNYSK-UHFFFAOYSA-N 1 0 311.425 3.869 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1O ZINC000186010631 1034592286 /nfs/dbraw/zinc/59/22/86/1034592286.db2.gz ZOJGSVCXVXHYAS-MEBBXXQBSA-N 1 0 305.324 3.845 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794836064 1034592380 /nfs/dbraw/zinc/59/23/80/1034592380.db2.gz RTUXABDDCJCAED-QFBILLFUSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1 ZINC000186040930 1034593969 /nfs/dbraw/zinc/59/39/69/1034593969.db2.gz IWTIEZFFTPMRJJ-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000186322525 1034618394 /nfs/dbraw/zinc/61/83/94/1034618394.db2.gz XXXFQEUHKZESLE-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532519 1034638300 /nfs/dbraw/zinc/63/83/00/1034638300.db2.gz STYNFEHZFOXTNF-DYVFJYSZSA-N 1 0 315.413 3.638 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518254 1034638630 /nfs/dbraw/zinc/63/86/30/1034638630.db2.gz UGACFSIQHDCTFH-SOUVJXGZSA-N 1 0 320.452 3.835 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccco2)c1O ZINC000186913823 1034672756 /nfs/dbraw/zinc/67/27/56/1034672756.db2.gz NDKXYWAQVFZBSJ-SNVBAGLBSA-N 1 0 310.191 3.907 20 10 DHCDRO CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187676573 1034723606 /nfs/dbraw/zinc/72/36/06/1034723606.db2.gz KYLTZKJSLZSMRD-GFCCVEGCSA-N 1 0 312.404 3.586 20 10 DHCDRO CCSc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)ccn1 ZINC000187793909 1034734477 /nfs/dbraw/zinc/73/44/77/1034734477.db2.gz HWOOZWRCAUQJNH-GFCCVEGCSA-N 1 0 318.442 3.759 20 10 DHCDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000192923519 1034822895 /nfs/dbraw/zinc/82/28/95/1034822895.db2.gz VUWMKVZMYUXZOA-HNNXBMFYSA-N 1 0 308.441 3.629 20 10 DHCDRO CC(C)CCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001177333406 1035364886 /nfs/dbraw/zinc/36/48/86/1035364886.db2.gz BNKZJBAEOPJFKD-IYBDPMFKSA-N 1 0 322.468 3.965 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)COc2ccccc2F)cc1C ZINC001177464932 1035370116 /nfs/dbraw/zinc/37/01/16/1035370116.db2.gz YNRAZYMLIDAIGE-CQSZACIVSA-N 1 0 303.377 3.700 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC001177483601 1035372158 /nfs/dbraw/zinc/37/21/58/1035372158.db2.gz ZGKGTPNTJUAMKO-LLVKDONJSA-N 1 0 300.368 3.907 20 10 DHCDRO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001177483412 1035372404 /nfs/dbraw/zinc/37/24/04/1035372404.db2.gz QSUXQYLIJAWVKW-PKOBYXMFSA-N 1 0 316.489 3.829 20 10 DHCDRO COCc1ccc(C[NH2+]CCCSc2nccs2)cc1 ZINC001177904560 1035398029 /nfs/dbraw/zinc/39/80/29/1035398029.db2.gz KHQDZROAGWTFMB-UHFFFAOYSA-N 1 0 308.472 3.562 20 10 DHCDRO Cc1nc(CC[NH2+]Cc2c(C)c3ccccc3n2C)sc1C ZINC001177990753 1035405759 /nfs/dbraw/zinc/40/57/59/1035405759.db2.gz CJVFGSBPBOFZOR-UHFFFAOYSA-N 1 0 313.470 3.892 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@]2(C)CCCS2)ccc1OC ZINC001178161343 1035411638 /nfs/dbraw/zinc/41/16/38/1035411638.db2.gz AMLPOGKQHKTLBK-QGZVFWFLSA-N 1 0 309.475 3.607 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001178998299 1035460307 /nfs/dbraw/zinc/46/03/07/1035460307.db2.gz IVLVYJDZVVJSDE-GLCUZYPYSA-N 1 0 310.416 3.993 20 10 DHCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179082403 1035465023 /nfs/dbraw/zinc/46/50/23/1035465023.db2.gz YICSWRDDOUIDQX-SUMWQHHRSA-N 1 0 323.477 3.585 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000773809309 1035471314 /nfs/dbraw/zinc/47/13/14/1035471314.db2.gz AYPRYXVMWJUDKD-UHFFFAOYSA-N 1 0 324.424 3.650 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000905006649 1035475453 /nfs/dbraw/zinc/47/54/53/1035475453.db2.gz QEVZOVDMTZUCJN-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCCO1 ZINC001179365123 1035475855 /nfs/dbraw/zinc/47/58/55/1035475855.db2.gz FWDFFRFMXIQLFQ-GOSISDBHSA-N 1 0 303.446 3.697 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1F ZINC001179506555 1035481958 /nfs/dbraw/zinc/48/19/58/1035481958.db2.gz AADGIUFKXWJCOE-JTDSTZFVSA-N 1 0 320.452 3.719 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001179717495 1035494170 /nfs/dbraw/zinc/49/41/70/1035494170.db2.gz UDQYTCLLRKUPNW-LIXSYLKWSA-N 1 0 314.473 3.847 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2OCc3ccccc32)cc1 ZINC001179800561 1035504726 /nfs/dbraw/zinc/50/47/26/1035504726.db2.gz UJKZCEULUUCRHR-HXUWFJFHSA-N 1 0 310.441 3.894 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000773831236 1035508206 /nfs/dbraw/zinc/50/82/06/1035508206.db2.gz IGUKHHFVHHPJAX-SFHVURJKSA-N 1 0 318.848 3.619 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC001180430598 1035669926 /nfs/dbraw/zinc/66/99/26/1035669926.db2.gz OXGYBJXYIJKICO-AEFFLSMTSA-N 1 0 305.462 3.745 20 10 DHCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)CC)cc1)C(C)C ZINC001193684429 1035702613 /nfs/dbraw/zinc/70/26/13/1035702613.db2.gz APQCELBYHFHKCT-LJQANCHMSA-N 1 0 320.477 3.600 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000773862462 1035704579 /nfs/dbraw/zinc/70/45/79/1035704579.db2.gz YVRZWMVPQHFKQR-OAQYLSRUSA-N 1 0 322.452 3.774 20 10 DHCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)CC)cc1)C(C)C ZINC001193684428 1035704676 /nfs/dbraw/zinc/70/46/76/1035704676.db2.gz APQCELBYHFHKCT-IBGZPJMESA-N 1 0 320.477 3.600 20 10 DHCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001204278877 1035740689 /nfs/dbraw/zinc/74/06/89/1035740689.db2.gz LMJOHLNKWCYUEA-CYBMUJFWSA-N 1 0 303.789 3.741 20 10 DHCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001181361304 1035899799 /nfs/dbraw/zinc/89/97/99/1035899799.db2.gz OKTUSLWWOKLLGX-QGZVFWFLSA-N 1 0 319.832 3.895 20 10 DHCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CSc3ccccc32)c(O)c1 ZINC001181973169 1036077383 /nfs/dbraw/zinc/07/73/83/1036077383.db2.gz XAJSGURXXBZNST-CYBMUJFWSA-N 1 0 315.438 3.688 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC001182109121 1036098282 /nfs/dbraw/zinc/09/82/82/1036098282.db2.gz JDNZUQFWVCNVLM-IBGZPJMESA-N 1 0 313.441 3.551 20 10 DHCDRO Cc1ccc(CNc2ccc(OCC[NH+](C)C)c(C)c2)c(O)c1 ZINC001182261046 1036167187 /nfs/dbraw/zinc/16/71/87/1036167187.db2.gz IKJXLDNJVRQBGC-UHFFFAOYSA-N 1 0 314.429 3.562 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000774135983 1036173918 /nfs/dbraw/zinc/17/39/18/1036173918.db2.gz DQGJFPWNNILMHP-GJYPPUQNSA-N 1 0 316.489 3.999 20 10 DHCDRO CCCC[C@H](COC)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001182424074 1036275872 /nfs/dbraw/zinc/27/58/72/1036275872.db2.gz NOMHOMPZKAIFQI-FUHWJXTLSA-N 1 0 306.494 3.787 20 10 DHCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001182424194 1036276725 /nfs/dbraw/zinc/27/67/25/1036276725.db2.gz QJHSJSXBPSKLQQ-AYOQOUSVSA-N 1 0 316.489 3.539 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000775664559 1036283879 /nfs/dbraw/zinc/28/38/79/1036283879.db2.gz YBYWADATJONXMY-KRWDZBQOSA-N 1 0 315.388 3.747 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000774400153 1036319095 /nfs/dbraw/zinc/31/90/95/1036319095.db2.gz UENHCPWMIDNVKR-JJMVLAAESA-N 1 0 319.351 3.542 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc32)cc1C ZINC000914796221 1036344447 /nfs/dbraw/zinc/34/44/47/1036344447.db2.gz YNRLEPSFQIBVEQ-MRXNPFEDSA-N 1 0 310.441 3.544 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)CC[C@H]2C)c1O ZINC000775674654 1036383399 /nfs/dbraw/zinc/38/33/99/1036383399.db2.gz HRAJVXMKUUDQPD-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO COc1cc(C)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC001182666101 1036412914 /nfs/dbraw/zinc/41/29/14/1036412914.db2.gz LGQMUHFFPJNECY-NSHDSACASA-N 1 0 318.244 3.773 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(-c3ccncc3)s2)c1 ZINC001182958428 1036487275 /nfs/dbraw/zinc/48/72/75/1036487275.db2.gz ADRRMAYEAGQWGR-UHFFFAOYSA-N 1 0 311.410 3.509 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1Cl ZINC001182942408 1036487441 /nfs/dbraw/zinc/48/74/41/1036487441.db2.gz UVVPTAPLHYLKEO-KRWDZBQOSA-N 1 0 311.853 3.775 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(C)ccc2C)cc1OC ZINC000762069361 1036499593 /nfs/dbraw/zinc/49/95/93/1036499593.db2.gz SKLOWTNYZZEFOS-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c1O ZINC000775709140 1036505910 /nfs/dbraw/zinc/50/59/10/1036505910.db2.gz QTEBYNDNNXCUPR-LJQANCHMSA-N 1 0 310.441 3.801 20 10 DHCDRO Cc1cc(CC[NH2+]CCC[C@H]2CCO2)c(C)n1-c1ccccc1 ZINC001183179830 1036535249 /nfs/dbraw/zinc/53/52/49/1036535249.db2.gz IZYAIAVZDAZXSK-FQEVSTJZSA-N 1 0 312.457 3.795 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(Cl)cc1O)[C@@H](O)c1ccccc1 ZINC001183498502 1036609018 /nfs/dbraw/zinc/60/90/18/1036609018.db2.gz GGGRWKNAYPMUII-INIZCTEOSA-N 1 0 305.805 3.647 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1 ZINC001197004188 1036666859 /nfs/dbraw/zinc/66/68/59/1036666859.db2.gz PJRNHIWVKCMSCA-NWDGAFQWSA-N 1 0 318.804 3.723 20 10 DHCDRO [O-]c1cc(F)c(F)cc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001205801906 1036695989 /nfs/dbraw/zinc/69/59/89/1036695989.db2.gz AMHHWQZMGDWWLV-UHFFFAOYSA-N 1 0 307.315 3.674 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC001183863610 1036699067 /nfs/dbraw/zinc/69/90/67/1036699067.db2.gz FFUPQBSRCFHFRY-UHFFFAOYSA-N 1 0 324.472 3.533 20 10 DHCDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001183909343 1036704687 /nfs/dbraw/zinc/70/46/87/1036704687.db2.gz NCZLVIAICLXWLW-HNNXBMFYSA-N 1 0 320.477 3.519 20 10 DHCDRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184217887 1036771040 /nfs/dbraw/zinc/77/10/40/1036771040.db2.gz JTVXKXKFZXTXCY-UZLBHIALSA-N 1 0 317.521 3.914 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1)OCO2 ZINC000762468866 1036775668 /nfs/dbraw/zinc/77/56/68/1036775668.db2.gz XRPGSZFYVGRUAH-MRXNPFEDSA-N 1 0 311.381 3.848 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000762503126 1036799692 /nfs/dbraw/zinc/79/96/92/1036799692.db2.gz JBYZVZGACYECJF-FOIQADDNSA-N 1 0 312.457 3.917 20 10 DHCDRO CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000762792810 1036946459 /nfs/dbraw/zinc/94/64/59/1036946459.db2.gz AASZMDPXYINQNS-UHFFFAOYSA-N 1 0 307.434 3.860 20 10 DHCDRO C[C@@H](NCc1nc2cc(F)ccc2o1)c1ccc(N(C)C)cc1 ZINC000775832723 1036987114 /nfs/dbraw/zinc/98/71/14/1036987114.db2.gz AULRYMHXWDBMJF-GFCCVEGCSA-N 1 0 313.376 3.884 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775837029 1036991771 /nfs/dbraw/zinc/99/17/71/1036991771.db2.gz QMTAHPFSIBLXRC-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836948 1036993106 /nfs/dbraw/zinc/99/31/06/1036993106.db2.gz POFJIQFJWWIDKM-AWEZNQCLSA-N 1 0 312.413 3.529 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775838653 1036994777 /nfs/dbraw/zinc/99/47/77/1036994777.db2.gz ZRBJQIYTMSSTSC-GFCCVEGCSA-N 1 0 317.364 3.651 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000237362884 1037004756 /nfs/dbraw/zinc/00/47/56/1037004756.db2.gz VSHMAOZYKZWPRM-HNNXBMFYSA-N 1 0 319.401 3.867 20 10 DHCDRO COc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)ccn1 ZINC000762926958 1037079578 /nfs/dbraw/zinc/07/95/78/1037079578.db2.gz YGPWWBJMHTVJMN-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199274906 1037221585 /nfs/dbraw/zinc/22/15/85/1037221585.db2.gz AADVYFXWKXAQNI-DDQTVLHMSA-N 1 0 316.489 3.951 20 10 DHCDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775982011 1037279542 /nfs/dbraw/zinc/27/95/42/1037279542.db2.gz XHMOYFRNSWPGPB-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1cc(CC[NH2+][C@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000761573058 1037378010 /nfs/dbraw/zinc/37/80/10/1037378010.db2.gz RRHKULFRSLEZQF-KRWDZBQOSA-N 1 0 300.471 3.732 20 10 DHCDRO CCOCc1cc(C[NH2+]CCc2cccc(C)c2)ccc1OC ZINC001199971670 1037391983 /nfs/dbraw/zinc/39/19/83/1037391983.db2.gz DCXVPAFGWVDUGJ-UHFFFAOYSA-N 1 0 313.441 3.872 20 10 DHCDRO CCO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000775028268 1037433717 /nfs/dbraw/zinc/43/37/17/1037433717.db2.gz OSTLASLANHJSEU-LJQANCHMSA-N 1 0 316.420 3.759 20 10 DHCDRO CO[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C ZINC000784668951 1037458869 /nfs/dbraw/zinc/45/88/69/1037458869.db2.gz WXZRFDARWQCJJI-LPHOPBHVSA-N 1 0 302.462 3.534 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C12CCCCC2 ZINC000776178025 1037653419 /nfs/dbraw/zinc/65/34/19/1037653419.db2.gz YKBKVLFRIQNTPJ-IRXDYDNUSA-N 1 0 319.445 3.618 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776167625 1037670104 /nfs/dbraw/zinc/67/01/04/1037670104.db2.gz NEQYLEWBAUCSSY-QZTJIDSGSA-N 1 0 304.478 3.590 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000775136791 1037689611 /nfs/dbraw/zinc/68/96/11/1037689611.db2.gz LTUQUKXKPGRKRN-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1O ZINC000153881291 1037703153 /nfs/dbraw/zinc/70/31/53/1037703153.db2.gz REJIHLXTFVUHOQ-UHFFFAOYSA-N 1 0 306.749 3.586 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)ccc1OC ZINC001203682737 1037907397 /nfs/dbraw/zinc/90/73/97/1037907397.db2.gz MYAQAHVTUVZMGB-PLYYQAHHSA-N 1 0 303.446 3.613 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000776222457 1037924023 /nfs/dbraw/zinc/92/40/23/1037924023.db2.gz LUNGZVFXJYJBNQ-SFHVURJKSA-N 1 0 315.438 3.521 20 10 DHCDRO CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000044517525 1037935875 /nfs/dbraw/zinc/93/58/75/1037935875.db2.gz DAJFPGDIICNOQU-UHFFFAOYSA-N 1 0 317.260 3.521 20 10 DHCDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001201919514 1037940073 /nfs/dbraw/zinc/94/00/73/1037940073.db2.gz DTWKGFGVEABSGC-AWEZNQCLSA-N 1 0 315.486 3.945 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@@H](C)CC2CCCCC2)cc1OC ZINC000775206889 1038009976 /nfs/dbraw/zinc/00/99/76/1038009976.db2.gz RLLWSSBJMDXKFE-ZDUSSCGKSA-N 1 0 307.434 3.858 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361809 1038272767 /nfs/dbraw/zinc/27/27/67/1038272767.db2.gz FWFDEMPJFFQSSS-OAHLLOKOSA-N 1 0 320.440 3.994 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000775365148 1038274927 /nfs/dbraw/zinc/27/49/27/1038274927.db2.gz UUMCYHTWWQZTNB-HNNXBMFYSA-N 1 0 320.440 3.994 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cc(C)cc(C)c2)c1 ZINC000775369413 1038283303 /nfs/dbraw/zinc/28/33/03/1038283303.db2.gz BKMAFBYPWODSAP-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775373605 1038295145 /nfs/dbraw/zinc/29/51/45/1038295145.db2.gz VAIQIXHGDKXYFG-KBXCAEBGSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O ZINC000775488558 1038561309 /nfs/dbraw/zinc/56/13/09/1038561309.db2.gz IXUPVSHEZIDLJC-RYQLBKOJSA-N 1 0 317.816 3.745 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1OC)c1cc(Cl)ccc1O ZINC000775491177 1038561653 /nfs/dbraw/zinc/56/16/53/1038561653.db2.gz BJSKARFYOGKKQI-CQSZACIVSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775489712 1038564716 /nfs/dbraw/zinc/56/47/16/1038564716.db2.gz QRGDYGBGNZXMDH-RDJZCZTQSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1O ZINC000775498090 1038581305 /nfs/dbraw/zinc/58/13/05/1038581305.db2.gz HBXBDXLEPMPPLJ-MRXNPFEDSA-N 1 0 300.402 3.654 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000775522199 1038624251 /nfs/dbraw/zinc/62/42/51/1038624251.db2.gz MAEOBEUMVFLYAI-GOEBONIOSA-N 1 0 313.397 3.663 20 10 DHCDRO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000775523060 1038630617 /nfs/dbraw/zinc/63/06/17/1038630617.db2.gz FJPCDWMOGPLXPJ-AWEZNQCLSA-N 1 0 313.376 3.659 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775522631 1038631967 /nfs/dbraw/zinc/63/19/67/1038631967.db2.gz WIXXXSZYAFOYIZ-BMIGLBTASA-N 1 0 307.825 3.749 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775536663 1038678005 /nfs/dbraw/zinc/67/80/05/1038678005.db2.gz MQPDUMZDZMIYCK-CMPLNLGQSA-N 1 0 311.731 3.664 20 10 DHCDRO CC[C@H]([NH2+]CCNc1cccc(C)n1)c1cc(Cl)ccc1O ZINC000775528010 1038646039 /nfs/dbraw/zinc/64/60/39/1038646039.db2.gz XIDRRWGPAPCNKW-HNNXBMFYSA-N 1 0 319.836 3.902 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000775531454 1038671008 /nfs/dbraw/zinc/67/10/08/1038671008.db2.gz DGYXJTBLDXYTER-KRWDZBQOSA-N 1 0 319.832 3.821 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc(F)ccc1F ZINC000170779215 1038960078 /nfs/dbraw/zinc/96/00/78/1038960078.db2.gz CSFWUOAQZMSFHY-GOSISDBHSA-N 1 0 321.367 3.616 20 10 DHCDRO CCC(CC)(C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)OC ZINC000760884388 1038961508 /nfs/dbraw/zinc/96/15/08/1038961508.db2.gz QRXHELZFDIOJQH-WCQYABFASA-N 1 0 323.408 3.649 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000157652293 1039101658 /nfs/dbraw/zinc/10/16/58/1039101658.db2.gz CLJKIZLBPRNXQL-MOPGFXCFSA-N 1 0 316.420 3.666 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]CCc1cccs1 ZINC000227434634 1040257594 /nfs/dbraw/zinc/25/75/94/1040257594.db2.gz XMIKZOKKCPFLCW-UHFFFAOYSA-N 1 0 312.232 3.549 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000174375204 1040624443 /nfs/dbraw/zinc/62/44/43/1040624443.db2.gz FLWQGPPRSGVGFZ-OAHLLOKOSA-N 1 0 312.413 3.631 20 10 DHCDRO C[C@H](Cc1ccsc1)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223831 1040792446 /nfs/dbraw/zinc/79/24/46/1040792446.db2.gz SBSRRRCLAAAVMF-OAHLLOKOSA-N 1 0 318.486 3.756 20 10 DHCDRO CN(Cc1cccc2cc[nH]c21)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223236 1040799595 /nfs/dbraw/zinc/79/95/95/1040799595.db2.gz NXSJVCSLWAKHRU-UHFFFAOYSA-N 1 0 323.440 3.745 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2C)c1O ZINC000228668747 1041046031 /nfs/dbraw/zinc/04/60/31/1041046031.db2.gz XUEAVVJSHAHAPZ-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO C[N@H+](CCc1ccncc1)Cc1ccc(N2CCCCC2)cc1 ZINC000078681628 191910531 /nfs/dbraw/zinc/91/05/31/191910531.db2.gz SJWLIXSDRYJPFS-UHFFFAOYSA-N 1 0 309.457 3.746 20 10 DHCDRO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091956795 193132734 /nfs/dbraw/zinc/13/27/34/193132734.db2.gz SAWUMNZPGXEBCN-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1O ZINC000021810619 182292262 /nfs/dbraw/zinc/29/22/62/182292262.db2.gz RONNXXCMUDOCAN-GJZGRUSLSA-N 1 0 304.459 3.797 20 10 DHCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271514335 129926709 /nfs/dbraw/zinc/92/67/09/129926709.db2.gz NPKCERUFTYVCHO-IAGOWNOFSA-N 1 0 304.478 3.736 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](CCOC)c2ccco2)c(O)c1 ZINC000272615059 130047234 /nfs/dbraw/zinc/04/72/34/130047234.db2.gz VDUMHWZYTKWZIG-INIZCTEOSA-N 1 0 319.401 3.641 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000273365948 130112168 /nfs/dbraw/zinc/11/21/68/130112168.db2.gz FCDGJBMAJHVBQI-QMTHXVAHSA-N 1 0 305.809 3.507 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1OC ZINC000273384173 130114285 /nfs/dbraw/zinc/11/42/85/130114285.db2.gz JBJKJVZKUNUDKH-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491835 130127588 /nfs/dbraw/zinc/12/75/88/130127588.db2.gz NKXPKYACSRHRPX-IEBWSBKVSA-N 1 0 315.388 3.883 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000273491769 130127998 /nfs/dbraw/zinc/12/79/98/130127998.db2.gz OJGUBLZLUGGBBD-MEBBXXQBSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273503920 130128986 /nfs/dbraw/zinc/12/89/86/130128986.db2.gz QSDVWZPXCLZPMF-ALLJEULLSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc(F)ccc1O ZINC000273496209 130129316 /nfs/dbraw/zinc/12/93/16/130129316.db2.gz PFCAJDCJARFCSW-WNDFPBNNSA-N 1 0 321.417 3.681 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cc(F)ccc1O ZINC000273496203 130129713 /nfs/dbraw/zinc/12/97/13/130129713.db2.gz PFCAJDCJARFCSW-DRONIGIMSA-N 1 0 321.417 3.681 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000273506823 130130458 /nfs/dbraw/zinc/13/04/58/130130458.db2.gz RBTWRSOITUUTSX-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000273532142 130133940 /nfs/dbraw/zinc/13/39/40/130133940.db2.gz WQSIJIBVARVPII-CQSZACIVSA-N 1 0 313.397 3.713 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CC2)c1O ZINC000273750195 130162246 /nfs/dbraw/zinc/16/22/46/130162246.db2.gz NMGPYLNLERUOJJ-UHFFFAOYSA-N 1 0 303.789 3.833 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O ZINC000274941682 130276014 /nfs/dbraw/zinc/27/60/14/130276014.db2.gz SZQLSQMNOLJBOP-SUMWQHHRSA-N 1 0 324.424 3.713 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccn1 ZINC000275064870 130289155 /nfs/dbraw/zinc/28/91/55/130289155.db2.gz RQGSPHLDXGMTLI-UHFFFAOYSA-N 1 0 308.834 3.842 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000281147245 130839781 /nfs/dbraw/zinc/83/97/81/130839781.db2.gz OULOKPHMFPCCGY-CABCVRRESA-N 1 0 324.415 3.609 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1 ZINC000283998443 131039722 /nfs/dbraw/zinc/03/97/22/131039722.db2.gz HRFZVEXXOVWRMW-HNNXBMFYSA-N 1 0 309.413 3.550 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000284376195 131075673 /nfs/dbraw/zinc/07/56/73/131075673.db2.gz NZZKALLZVXNLMT-LBPRGKRZSA-N 1 0 321.371 3.600 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c(O)c1 ZINC000284872462 131118860 /nfs/dbraw/zinc/11/88/60/131118860.db2.gz AYWIPXKOSZPOQI-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccccc1O ZINC000286870087 131253704 /nfs/dbraw/zinc/25/37/04/131253704.db2.gz BRZBVGAOPADQJK-BLLLJJGKSA-N 1 0 305.805 3.820 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CSC)cc2)c1 ZINC000289186291 131364234 /nfs/dbraw/zinc/36/42/34/131364234.db2.gz AOXBFGYYWZQDJD-UHFFFAOYSA-N 1 0 303.427 3.554 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000290354899 131480087 /nfs/dbraw/zinc/48/00/87/131480087.db2.gz QKBZXDOSYZHSCV-PRXAMGSTSA-N 1 0 305.805 3.818 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000291912125 131608998 /nfs/dbraw/zinc/60/89/98/131608998.db2.gz MYUGXKHSPFZCGQ-CYBMUJFWSA-N 1 0 301.434 3.852 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000293922969 131783827 /nfs/dbraw/zinc/78/38/27/131783827.db2.gz MSLUFJATZYZXNV-SAZUREKKSA-N 1 0 301.361 3.576 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000296238718 131950799 /nfs/dbraw/zinc/95/07/99/131950799.db2.gz ASQBCTCDADRXHO-VXGBXAGGSA-N 1 0 305.340 3.709 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000297386597 132013282 /nfs/dbraw/zinc/01/32/82/132013282.db2.gz RKXNCHIWIZFMHW-GXSJLCMTSA-N 1 0 309.303 3.539 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000297632013 132026419 /nfs/dbraw/zinc/02/64/19/132026419.db2.gz JJSQKGZVQMDNQV-HNNXBMFYSA-N 1 0 301.361 3.707 20 10 DHCDRO C[C@@H](c1ccccc1)[N@H+](CCc1cn[nH]c1)Cc1ccccc1O ZINC000298553886 132067597 /nfs/dbraw/zinc/06/75/97/132067597.db2.gz VBSIRRVSRIRJOH-INIZCTEOSA-N 1 0 321.424 3.921 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000119638109 132134609 /nfs/dbraw/zinc/13/46/09/132134609.db2.gz ZPZAFFGSRQISAR-QWHCGFSZSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430205 132156117 /nfs/dbraw/zinc/15/61/17/132156117.db2.gz JTMQLBTUHLVZSC-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c1O ZINC000529568616 331612230 /nfs/dbraw/zinc/61/22/30/331612230.db2.gz TVWCLLAFCXHHJQ-HNNXBMFYSA-N 1 0 321.779 3.970 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(F)ccc1O ZINC000176981157 332966481 /nfs/dbraw/zinc/96/64/81/332966481.db2.gz AFUDNAHMVWUAAY-BBRMVZONSA-N 1 0 318.392 3.612 20 10 DHCDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)CCC1 ZINC000293846326 335115196 /nfs/dbraw/zinc/11/51/96/335115196.db2.gz HMFHEUOAIRJDIN-FQEVSTJZSA-N 1 0 323.436 3.615 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294031539 335117131 /nfs/dbraw/zinc/11/71/31/335117131.db2.gz VQURTXYLTXLISG-GOSISDBHSA-N 1 0 312.413 3.769 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000185398008 333208122 /nfs/dbraw/zinc/20/81/22/333208122.db2.gz OTYSMXODXNETIH-AWEZNQCLSA-N 1 0 300.402 3.735 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)C(F)F ZINC000295048385 335130106 /nfs/dbraw/zinc/13/01/06/335130106.db2.gz NHORGQBVLWRPBT-RDJZCZTQSA-N 1 0 321.367 3.553 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000119860727 333261126 /nfs/dbraw/zinc/26/11/26/333261126.db2.gz UTRVGQWRZWGVKW-OAHLLOKOSA-N 1 0 303.494 3.666 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295973587 335139108 /nfs/dbraw/zinc/13/91/08/335139108.db2.gz JLUSHRHMTHNTDU-KRWDZBQOSA-N 1 0 319.470 3.920 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296182074 335140462 /nfs/dbraw/zinc/14/04/62/335140462.db2.gz XWQNENVHMRJBOX-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCCCO)cc1 ZINC000296630711 335145222 /nfs/dbraw/zinc/14/52/22/335145222.db2.gz BUESCOCJCHOOFY-UHFFFAOYSA-N 1 0 318.486 3.637 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000296546257 335146304 /nfs/dbraw/zinc/14/63/04/335146304.db2.gz REVUPAMSWXYLFW-JKSUJKDBSA-N 1 0 304.478 3.877 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000297250610 335152230 /nfs/dbraw/zinc/15/22/30/335152230.db2.gz JGNZJOXEMSSCPD-WDEREUQCSA-N 1 0 304.321 3.851 20 10 DHCDRO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271362385 334021386 /nfs/dbraw/zinc/02/13/86/334021386.db2.gz NPNMQTASPHGNMK-GOEBONIOSA-N 1 0 303.427 3.542 20 10 DHCDRO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)[nH]1 ZINC000273466274 334047576 /nfs/dbraw/zinc/04/75/76/334047576.db2.gz IWYFDHZBBPMVQM-NEPJUHHUSA-N 1 0 310.401 3.638 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc2ccccc2c1O ZINC000278983487 334104563 /nfs/dbraw/zinc/10/45/63/334104563.db2.gz PCWJDWKURIMRIA-CABCVRRESA-N 1 0 321.424 3.655 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(C)cc1O ZINC000280200716 334115247 /nfs/dbraw/zinc/11/52/47/334115247.db2.gz SSWJGDYODKKQEA-KRWDZBQOSA-N 1 0 309.413 3.898 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000280998374 334122142 /nfs/dbraw/zinc/12/21/42/334122142.db2.gz VTFOSWIUEGDHLU-UHFFFAOYSA-N 1 0 324.346 3.767 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCCc2ncccc2C)c(O)c1 ZINC000295081633 334217922 /nfs/dbraw/zinc/21/79/22/334217922.db2.gz SBGSTOOFSZYLNJ-UHFFFAOYSA-N 1 0 314.429 3.607 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000355124567 336495714 /nfs/dbraw/zinc/49/57/14/336495714.db2.gz OLGRUEUVYYRZPG-UHFFFAOYSA-N 1 0 320.396 3.760 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000360888938 336725906 /nfs/dbraw/zinc/72/59/06/336725906.db2.gz QLIRIYLJGODZKY-APPDUMDISA-N 1 0 317.360 3.542 20 10 DHCDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(F)ccc1O ZINC000367705125 336828336 /nfs/dbraw/zinc/82/83/36/336828336.db2.gz GRNLMXSCWQFZMT-CYBMUJFWSA-N 1 0 300.377 3.699 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000371869300 336915229 /nfs/dbraw/zinc/91/52/29/336915229.db2.gz GCHYDGJDBBQCNR-MEDUHNTESA-N 1 0 317.360 3.714 20 10 DHCDRO CCCn1nccc1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000374371424 336988357 /nfs/dbraw/zinc/98/83/57/336988357.db2.gz KJLDYQTXMQTJEU-UHFFFAOYSA-N 1 0 313.445 3.687 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000374710128 336995613 /nfs/dbraw/zinc/99/56/13/336995613.db2.gz BUYCRSQPANTYCH-SOVGHPHASA-N 1 0 314.404 3.627 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)n1 ZINC000375236805 337006191 /nfs/dbraw/zinc/00/61/91/337006191.db2.gz JJNAPNPJQBCEKI-JKDOVBDQSA-N 1 0 319.380 3.600 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450755 337011270 /nfs/dbraw/zinc/01/12/70/337011270.db2.gz DEHSVIHZBGBWNE-HOCLYGCPSA-N 1 0 313.445 3.686 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1O ZINC000375531172 337012973 /nfs/dbraw/zinc/01/29/73/337012973.db2.gz ZPMLVTZMZIMWRM-LMMKCTJWSA-N 1 0 303.446 3.606 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000377348173 337050916 /nfs/dbraw/zinc/05/09/16/337050916.db2.gz WJFZXPBRMUBLRG-GOEBONIOSA-N 1 0 313.445 3.686 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377641556 337057112 /nfs/dbraw/zinc/05/71/12/337057112.db2.gz AVBUBJAKGIZWHX-BXUZGUMPSA-N 1 0 304.415 3.755 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377835783 337062190 /nfs/dbraw/zinc/06/21/90/337062190.db2.gz WLVGGUYVJYCQJA-HRCADAONSA-N 1 0 319.445 3.600 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000377869625 337063095 /nfs/dbraw/zinc/06/30/95/337063095.db2.gz PYPQBBGZXFFSEP-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1C ZINC000378650576 337077692 /nfs/dbraw/zinc/07/76/92/337077692.db2.gz PRAJBEZLGOLSSG-HXUWFJFHSA-N 1 0 321.424 3.622 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3ncc(C)s3)C2)c1O ZINC000360075871 337084905 /nfs/dbraw/zinc/08/49/05/337084905.db2.gz NXZMXCXAADRUCO-AWEZNQCLSA-N 1 0 318.442 3.545 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179556292 337170303 /nfs/dbraw/zinc/17/03/03/337170303.db2.gz KBAMQOUQGQNLDH-OAHLLOKOSA-N 1 0 308.381 3.913 20 10 DHCDRO COc1cc(Cl)cc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000184685577 337199844 /nfs/dbraw/zinc/19/98/44/337199844.db2.gz AJGVPADTXXYBRB-ZDUSSCGKSA-N 1 0 321.808 3.505 20 10 DHCDRO Oc1ccccc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482389 337386748 /nfs/dbraw/zinc/38/67/48/337386748.db2.gz ZVBYANTUECKOIN-UHFFFAOYSA-N 1 0 312.344 3.519 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c1 ZINC000248517124 337564269 /nfs/dbraw/zinc/56/42/69/337564269.db2.gz PCJAHJLJCNAIQF-OGHNNQOOSA-N 1 0 313.397 3.616 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc2ccccc2c1O ZINC000248486369 337565639 /nfs/dbraw/zinc/56/56/39/337565639.db2.gz FPOQNONDJVNYHX-SVIJTADQSA-N 1 0 319.404 3.854 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000527929221 337776274 /nfs/dbraw/zinc/77/62/74/337776274.db2.gz PGKGPNSIJVALBF-CABCVRRESA-N 1 0 303.446 3.738 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000237362823 340670481 /nfs/dbraw/zinc/67/04/81/340670481.db2.gz XVWIJRHHHHDYMC-LJQANCHMSA-N 1 0 309.365 3.873 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000185548117 517849316 /nfs/dbraw/zinc/84/93/16/517849316.db2.gz LCDQWQPRTYHNLP-BLLLJJGKSA-N 1 0 319.401 3.595 20 10 DHCDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183394449 519521254 /nfs/dbraw/zinc/52/12/54/519521254.db2.gz VQLBYAAVNJXYAO-AWEZNQCLSA-N 1 0 312.413 3.838 20 10 DHCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000181921363 519733125 /nfs/dbraw/zinc/73/31/25/519733125.db2.gz HYGNCGDTWKYKLA-CQSZACIVSA-N 1 0 311.429 3.562 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC000180888611 522209784 /nfs/dbraw/zinc/20/97/84/522209784.db2.gz NTMKXEQFKMZUIX-UHFFFAOYSA-N 1 0 313.445 3.615 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1O ZINC000366418502 522613576 /nfs/dbraw/zinc/61/35/76/522613576.db2.gz NAZSBQYDJGJFIG-YOEHRIQHSA-N 1 0 324.424 3.867 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317428 522716177 /nfs/dbraw/zinc/71/61/77/522716177.db2.gz KNMVURVDZIIFLV-LSDHHAIUSA-N 1 0 314.433 3.683 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(N(C)C)cc1 ZINC000177960627 522740803 /nfs/dbraw/zinc/74/08/03/522740803.db2.gz YZMDVGUZDUOQOD-ACJLOTCBSA-N 1 0 300.450 3.596 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1O ZINC000364909078 522753958 /nfs/dbraw/zinc/75/39/58/522753958.db2.gz RZRWVOBEXSOSHD-ROUUACIJSA-N 1 0 324.424 3.931 20 10 DHCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccccc1O ZINC000365160152 522763163 /nfs/dbraw/zinc/76/31/63/522763163.db2.gz WMXJGTBOZQFDQY-MOXGXCLJSA-N 1 0 311.425 3.729 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000159840849 522773665 /nfs/dbraw/zinc/77/36/65/522773665.db2.gz MQZDMPUEMJFHBL-CQSZACIVSA-N 1 0 319.426 3.808 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1O ZINC000156869801 522820427 /nfs/dbraw/zinc/82/04/27/522820427.db2.gz BSAXQIKKQLFULX-MJGOQNOKSA-N 1 0 311.425 3.947 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000156231447 522853948 /nfs/dbraw/zinc/85/39/48/522853948.db2.gz VUESBMJBWKSLIM-XJKSGUPXSA-N 1 0 310.397 3.559 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1 ZINC000189926462 524740832 /nfs/dbraw/zinc/74/08/32/524740832.db2.gz ICIAOUXVGGTKOQ-OAHLLOKOSA-N 1 0 304.415 3.503 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(C)c1O ZINC000264967237 524762210 /nfs/dbraw/zinc/76/22/10/524762210.db2.gz PSPKCWKAILPRCI-UHFFFAOYSA-N 1 0 302.393 3.504 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000129901932 524855227 /nfs/dbraw/zinc/85/52/27/524855227.db2.gz GBCBRKOHUUHCCL-SJCJKPOMSA-N 1 0 305.805 3.647 20 10 DHCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000133538599 525371437 /nfs/dbraw/zinc/37/14/37/525371437.db2.gz FNMRYNWCSNJAKX-KRWDZBQOSA-N 1 0 309.457 3.965 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091669 525742467 /nfs/dbraw/zinc/74/24/67/525742467.db2.gz PSIOSHHKCDUGGU-JKSUJKDBSA-N 1 0 314.429 3.836 20 10 DHCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179900028 526789239 /nfs/dbraw/zinc/78/92/39/526789239.db2.gz SBJZHIKWMHZQEM-UHFFFAOYSA-N 1 0 313.372 3.626 20 10 DHCDRO CCSc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289416014 535742059 /nfs/dbraw/zinc/74/20/59/535742059.db2.gz INEPDWRDVMKTFT-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(OC)c(OC)c1 ZINC000289313224 535918804 /nfs/dbraw/zinc/91/88/04/535918804.db2.gz DXUNLGBDXBCCOQ-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000273367191 536732962 /nfs/dbraw/zinc/73/29/62/536732962.db2.gz FFMXASKPDGBQAK-OAHLLOKOSA-N 1 0 315.413 3.577 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000154916222 1013084457 /nfs/dbraw/zinc/08/44/57/1013084457.db2.gz ZIMLTHLOCFBOOX-RDTXWAMCSA-N 1 0 322.412 3.775 20 10 DHCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237140071 1013149710 /nfs/dbraw/zinc/14/97/10/1013149710.db2.gz CBUIIOYXAPRCQF-UHFFFAOYSA-N 1 0 312.457 3.872 20 10 DHCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000296044742 1013196725 /nfs/dbraw/zinc/19/67/25/1013196725.db2.gz UQFXMSQMVZVBOH-KGLIPLIRSA-N 1 0 313.445 3.899 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccccc1O ZINC000155118105 1013221217 /nfs/dbraw/zinc/22/12/17/1013221217.db2.gz VTVAKKHBDFWJJG-GOSISDBHSA-N 1 0 315.413 3.658 20 10 DHCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])o1 ZINC000894474725 1013383357 /nfs/dbraw/zinc/38/33/57/1013383357.db2.gz DZZCZIVRVZJTNF-OAHLLOKOSA-N 1 0 323.339 3.747 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000894491207 1013388112 /nfs/dbraw/zinc/38/81/12/1013388112.db2.gz LESNXOYQGBYNSA-WCQYABFASA-N 1 0 317.351 3.872 20 10 DHCDRO CN(Cc1ccc(F)cc1)Cc1c(O)cccc1Br ZINC001140098506 1013430394 /nfs/dbraw/zinc/43/03/94/1013430394.db2.gz CGXLNNOPRHJDLF-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO CCCC[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CC[NH2+]1 ZINC001236141724 1021668293 /nfs/dbraw/zinc/66/82/93/1021668293.db2.gz KWQJGHFJULCNEY-NSHDSACASA-N 1 0 317.260 3.663 20 10 DHCDRO CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796675373 1013935146 /nfs/dbraw/zinc/93/51/46/1013935146.db2.gz NSBONVLRJQIRBS-KRWDZBQOSA-N 1 0 308.441 3.694 20 10 DHCDRO CN(CCC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000083551375 1013985779 /nfs/dbraw/zinc/98/57/79/1013985779.db2.gz LASFINYJADTTND-UHFFFAOYSA-N 1 0 304.821 3.662 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000070976152 1014080052 /nfs/dbraw/zinc/08/00/52/1014080052.db2.gz GXRDQLUDFPVHCQ-SFHVURJKSA-N 1 0 315.388 3.713 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000237205062 1014370078 /nfs/dbraw/zinc/37/00/78/1014370078.db2.gz NGFWVYWNSNJXEG-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007555 1014433054 /nfs/dbraw/zinc/43/30/54/1014433054.db2.gz AWTPYQNQFJFCAT-XEMDLRDOSA-N 1 0 324.468 3.923 20 10 DHCDRO CC(F)(F)C(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000696595336 1014454974 /nfs/dbraw/zinc/45/49/74/1014454974.db2.gz PEKLUZQICLDLNA-UHFFFAOYSA-N 1 0 322.193 3.926 20 10 DHCDRO COc1ccc(C[N@@H+]2CC3(CC=CC3)[C@@H]2C(C)C)c(O)c1OC ZINC000895121199 1014471832 /nfs/dbraw/zinc/47/18/32/1014471832.db2.gz JRTHEIFJMPFEPS-SFHVURJKSA-N 1 0 317.429 3.586 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000307879911 1014625154 /nfs/dbraw/zinc/62/51/54/1014625154.db2.gz NPKLWWXCBCKVJJ-UHFFFAOYSA-N 1 0 320.177 3.632 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cccc(O)c1 ZINC000706835665 1014628413 /nfs/dbraw/zinc/62/84/13/1014628413.db2.gz JNAAMHTYXQMUOD-SNVBAGLBSA-N 1 0 322.202 3.711 20 10 DHCDRO CCC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000728063316 1014684610 /nfs/dbraw/zinc/68/46/10/1014684610.db2.gz IHIFGTSCXCWXRS-UHFFFAOYSA-N 1 0 305.422 3.863 20 10 DHCDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000834841119 1014792963 /nfs/dbraw/zinc/79/29/63/1014792963.db2.gz PMACXCQOHLYGHD-ZYHUDNBSSA-N 1 0 316.239 3.620 20 10 DHCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000834841118 1014793634 /nfs/dbraw/zinc/79/36/34/1014793634.db2.gz PMACXCQOHLYGHD-PWSUYJOCSA-N 1 0 316.239 3.620 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CF)CCOCC2)c1O ZINC000834883053 1014943000 /nfs/dbraw/zinc/94/30/00/1014943000.db2.gz HDBGNKRNUVNNBJ-GFCCVEGCSA-N 1 0 315.816 3.771 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCCc3sccc3C2)c1O ZINC000754726174 1015115660 /nfs/dbraw/zinc/11/56/60/1015115660.db2.gz FTKMSZMBRCXFKN-UHFFFAOYSA-N 1 0 303.427 3.719 20 10 DHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896198678 1015497429 /nfs/dbraw/zinc/49/74/29/1015497429.db2.gz ROVNUQICQBSGKD-UHFFFAOYSA-N 1 0 317.820 3.517 20 10 DHCDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000783535155 1015498185 /nfs/dbraw/zinc/49/81/85/1015498185.db2.gz KNRUEKKRTQSQMC-ULQDDVLXSA-N 1 0 304.478 3.877 20 10 DHCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)cc1O ZINC001140464355 1015503112 /nfs/dbraw/zinc/50/31/12/1015503112.db2.gz MMALTBNVCVIXJM-GORDUTHDSA-N 1 0 302.805 3.976 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896224881 1015510061 /nfs/dbraw/zinc/51/00/61/1015510061.db2.gz PUGUYICSPHQWOD-CYBMUJFWSA-N 1 0 303.299 3.567 20 10 DHCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178345787 1015653508 /nfs/dbraw/zinc/65/35/08/1015653508.db2.gz XROGYHAZTVYSOH-LPHOPBHVSA-N 1 0 304.478 3.735 20 10 DHCDRO CCC[N@H+](CCSc1ccncc1)Cc1ccccc1O ZINC001167522275 1016296288 /nfs/dbraw/zinc/29/62/88/1016296288.db2.gz XCYAQGZAMJNRBO-UHFFFAOYSA-N 1 0 302.443 3.792 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000184835056 1016389618 /nfs/dbraw/zinc/38/96/18/1016389618.db2.gz IWAHDZNWYUXVQV-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)c(O)c1 ZINC000184987060 1016480448 /nfs/dbraw/zinc/48/04/48/1016480448.db2.gz IGSATQTYYFZQNB-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000185079987 1016546088 /nfs/dbraw/zinc/54/60/88/1016546088.db2.gz CICFSMUKIDNVMH-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000185080039 1016547140 /nfs/dbraw/zinc/54/71/40/1016547140.db2.gz CICFSMUKIDNVMH-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC000185165493 1016689515 /nfs/dbraw/zinc/68/95/15/1016689515.db2.gz MMTKAODPCWMXAK-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1O ZINC000848551152 1016875691 /nfs/dbraw/zinc/87/56/91/1016875691.db2.gz FGMWPUQGBLTPGC-BDAKNGLRSA-N 1 0 320.202 3.562 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185370309 1016883674 /nfs/dbraw/zinc/88/36/74/1016883674.db2.gz VZOSCJCTCZNXGF-YJBOKZPZSA-N 1 0 321.420 3.800 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cc(F)ccc1O ZINC000840775492 1016954162 /nfs/dbraw/zinc/95/41/62/1016954162.db2.gz PWWPZTORNKUMPF-UONOGXRCSA-N 1 0 302.393 3.988 20 10 DHCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2c(C)c3ccccc3n2C)CCO1 ZINC000475189050 1017042478 /nfs/dbraw/zinc/04/24/78/1017042478.db2.gz CZOQMWKXWLWYPV-JKSUJKDBSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)c1O ZINC000362042824 1032207624 /nfs/dbraw/zinc/20/76/24/1032207624.db2.gz CQDCLZWJEINAIH-KRWDZBQOSA-N 1 0 313.445 3.685 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1C ZINC000294945946 1032221407 /nfs/dbraw/zinc/22/14/07/1032221407.db2.gz CQAMYYOUBFZTAP-UHFFFAOYSA-N 1 0 310.319 3.707 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772976545 1032238549 /nfs/dbraw/zinc/23/85/49/1032238549.db2.gz LZCJOAIUMXROKW-UONOGXRCSA-N 1 0 322.880 3.873 20 10 DHCDRO CSCc1cnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000295040845 1032255096 /nfs/dbraw/zinc/25/50/96/1032255096.db2.gz YJCJKVUXHSGMKH-UHFFFAOYSA-N 1 0 321.515 3.704 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)c(O)c1 ZINC000877493652 1033322396 /nfs/dbraw/zinc/32/23/96/1033322396.db2.gz NMDUJGZIXYPOKN-TUKIKUTGSA-N 1 0 303.427 3.744 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000192837677 1017073144 /nfs/dbraw/zinc/07/31/44/1017073144.db2.gz KYQMAFKEMAHFKX-KGLIPLIRSA-N 1 0 315.413 3.778 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2c(C)cccn12 ZINC000475199440 1017076729 /nfs/dbraw/zinc/07/67/29/1017076729.db2.gz VFVJHWQKNMIVSM-UHFFFAOYSA-N 1 0 318.424 3.733 20 10 DHCDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)CC(C)C)CC2)cc1 ZINC001168331506 1032322499 /nfs/dbraw/zinc/32/24/99/1032322499.db2.gz IZGLHUCOSVYPIH-KRWDZBQOSA-N 1 0 304.478 3.890 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c1 ZINC000185647302 1017080778 /nfs/dbraw/zinc/08/07/78/1017080778.db2.gz KFJNDRKPUSBQPS-OAHLLOKOSA-N 1 0 316.420 3.622 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1O ZINC001171345631 1032507567 /nfs/dbraw/zinc/50/75/67/1032507567.db2.gz LSOMURQLJQKYOT-BXUZGUMPSA-N 1 0 303.352 3.879 20 10 DHCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000808709440 1032516213 /nfs/dbraw/zinc/51/62/13/1032516213.db2.gz BDSJCDCJYVHRRH-LDYMZIIASA-N 1 0 311.731 3.582 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1N(C)C ZINC000772999522 1032519348 /nfs/dbraw/zinc/51/93/48/1032519348.db2.gz LRNHXYTZQMRRGH-CQSZACIVSA-N 1 0 312.413 3.641 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773030299 1032534251 /nfs/dbraw/zinc/53/42/51/1032534251.db2.gz MZGIJDQNBGZXMW-HIFRSBDPSA-N 1 0 308.466 3.972 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773033921 1032535167 /nfs/dbraw/zinc/53/51/67/1032535167.db2.gz BQYDUGULQAKFBK-CRAIPNDOSA-N 1 0 304.478 3.999 20 10 DHCDRO CC[C@H]([NH2+]CCNc1cccc(C)n1)c1ccc(N(C)C)cc1 ZINC000773043184 1032536696 /nfs/dbraw/zinc/53/66/96/1032536696.db2.gz MAJOPVUQEKYWBO-SFHVURJKSA-N 1 0 312.461 3.609 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000773104441 1032559270 /nfs/dbraw/zinc/55/92/70/1032559270.db2.gz SGFYYDVGNKGFMF-IIBYNOLFSA-N 1 0 324.468 3.627 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000773104437 1032559656 /nfs/dbraw/zinc/55/96/56/1032559656.db2.gz SGFYYDVGNKGFMF-HRAATJIYSA-N 1 0 324.468 3.627 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1F ZINC000799736361 1012495733 /nfs/dbraw/zinc/49/57/33/1012495733.db2.gz OZELKHKMNBIDPZ-HOCLYGCPSA-N 1 0 308.441 3.671 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000037141560 1012839289 /nfs/dbraw/zinc/83/92/89/1012839289.db2.gz CBFFRGUCUONZRQ-NEPJUHHUSA-N 1 0 303.324 3.612 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1OC ZINC001143563015 1012840796 /nfs/dbraw/zinc/84/07/96/1012840796.db2.gz ILCKYUWSSRGPJI-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1C ZINC000773256188 1032661315 /nfs/dbraw/zinc/66/13/15/1032661315.db2.gz BFYJGAWEQRCGSU-SJORKVTESA-N 1 0 303.446 3.648 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)CCOc2ccccc2C)c1O ZINC000748090716 1013037132 /nfs/dbraw/zinc/03/71/32/1013037132.db2.gz WASLUSGRXQMQMC-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000192854312 1017123791 /nfs/dbraw/zinc/12/37/91/1017123791.db2.gz WQLZIKDSAHWXMR-CHWSQXEVSA-N 1 0 309.413 3.999 20 10 DHCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000840846137 1017181370 /nfs/dbraw/zinc/18/13/70/1017181370.db2.gz HYUCWZBCHROLGP-KPOBHBOGSA-N 1 0 310.441 3.716 20 10 DHCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840848193 1017183095 /nfs/dbraw/zinc/18/30/95/1017183095.db2.gz SFCFAZBUCQBAJT-DJKXOVBDSA-N 1 0 311.425 3.972 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1O ZINC000192916494 1017226674 /nfs/dbraw/zinc/22/66/74/1017226674.db2.gz MPIHYGWXOUNNGR-SJORKVTESA-N 1 0 314.429 3.863 20 10 DHCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000897298535 1017341957 /nfs/dbraw/zinc/34/19/57/1017341957.db2.gz ATLBEZHAXAILCB-AWEZNQCLSA-N 1 0 302.443 3.530 20 10 DHCDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184863574 1017424186 /nfs/dbraw/zinc/42/41/86/1017424186.db2.gz BSKZPSSTSOUYDC-NSHDSACASA-N 1 0 316.239 3.620 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921528 1017484152 /nfs/dbraw/zinc/48/41/52/1017484152.db2.gz VEVKZOLFICSJRA-KGLIPLIRSA-N 1 0 309.837 3.603 20 10 DHCDRO Fc1cc2c(cc1F)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001171454588 1032714915 /nfs/dbraw/zinc/71/49/15/1032714915.db2.gz VDCMLQKVWFQQRF-MRXNPFEDSA-N 1 0 315.363 3.547 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(F)ccc1O ZINC000186138543 1017910854 /nfs/dbraw/zinc/91/08/54/1017910854.db2.gz YPXYDWOSMMAITL-GFCCVEGCSA-N 1 0 303.381 3.694 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161495249 1017966511 /nfs/dbraw/zinc/96/65/11/1017966511.db2.gz KNYOFRFLLGYOBG-QUCCMNQESA-N 1 0 312.457 3.569 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010825 1032741629 /nfs/dbraw/zinc/74/16/29/1032741629.db2.gz NFHWCLDIXPOUPV-SFHVURJKSA-N 1 0 324.424 3.708 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)CCC2 ZINC000764123735 1018166780 /nfs/dbraw/zinc/16/67/80/1018166780.db2.gz IPGDVKXCYPGAEK-UHFFFAOYSA-N 1 0 314.454 3.897 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2(COC)CC2)cc1F ZINC000842728919 1018187863 /nfs/dbraw/zinc/18/78/63/1018187863.db2.gz LWTDPUIODMPKFO-UHFFFAOYSA-N 1 0 308.441 3.578 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCc3ccccc3C)CC2)cc1 ZINC000764598930 1018328702 /nfs/dbraw/zinc/32/87/02/1018328702.db2.gz LEUAMTABXOEIAY-UHFFFAOYSA-N 1 0 324.468 3.805 20 10 DHCDRO CCN1CCC([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000125205867 1032760411 /nfs/dbraw/zinc/76/04/11/1032760411.db2.gz LOTIKDTVHFUMSM-UHFFFAOYSA-N 1 0 315.505 3.593 20 10 DHCDRO CC(C)[N@H+](CCCc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000764955756 1018436942 /nfs/dbraw/zinc/43/69/42/1018436942.db2.gz YVUMRBLESZDNNY-UHFFFAOYSA-N 1 0 311.473 3.991 20 10 DHCDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000765099784 1018475797 /nfs/dbraw/zinc/47/57/97/1018475797.db2.gz KEWGZLSTKRQTLS-OLZOCXBDSA-N 1 0 311.381 3.901 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765126133 1018482890 /nfs/dbraw/zinc/48/28/90/1018482890.db2.gz IMWHAWRMLCQAKT-QWQRMKEZSA-N 1 0 320.452 3.718 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCCC13CCCC3)OCO2 ZINC000320731534 1018495041 /nfs/dbraw/zinc/49/50/41/1018495041.db2.gz RZCCZZHDXLTLIV-QGZVFWFLSA-N 1 0 303.402 3.714 20 10 DHCDRO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1O ZINC000157022746 1018578983 /nfs/dbraw/zinc/57/89/83/1018578983.db2.gz KOXFCQBMQTWMFS-KRWDZBQOSA-N 1 0 312.413 3.913 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278388046 1018646954 /nfs/dbraw/zinc/64/69/54/1018646954.db2.gz AARTWGOHUAUUGK-APPDUMDISA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000765328368 1018756808 /nfs/dbraw/zinc/75/68/08/1018756808.db2.gz FHHDVVPJPOMHMF-CABCVRRESA-N 1 0 316.470 3.997 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCc2occc21 ZINC000706828468 1018763046 /nfs/dbraw/zinc/76/30/46/1018763046.db2.gz FCKVIBZDEMQOAM-CYBMUJFWSA-N 1 0 322.202 3.915 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 ZINC000921519577 1018814550 /nfs/dbraw/zinc/81/45/50/1018814550.db2.gz IPAVXVNWTSNSOL-CYBMUJFWSA-N 1 0 311.381 3.591 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000765934252 1018883002 /nfs/dbraw/zinc/88/30/02/1018883002.db2.gz GJRHAIOBUUSGEY-ZDUSSCGKSA-N 1 0 304.384 3.924 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000858180067 1032792144 /nfs/dbraw/zinc/79/21/44/1032792144.db2.gz ZXYFSGZZQSWNAU-AWEZNQCLSA-N 1 0 317.864 3.830 20 10 DHCDRO COc1cccc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CC2)c1 ZINC000921838027 1018933013 /nfs/dbraw/zinc/93/30/13/1018933013.db2.gz MKGHMTBIMGGWDK-UHFFFAOYSA-N 1 0 309.409 3.799 20 10 DHCDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOc2ccccc21 ZINC000923027063 1018991440 /nfs/dbraw/zinc/99/14/40/1018991440.db2.gz XDZNKQGOZQBTKN-QGZVFWFLSA-N 1 0 303.789 3.833 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000785458454 1019208934 /nfs/dbraw/zinc/20/89/34/1019208934.db2.gz BBHWRZYRQFUSPS-QGZVFWFLSA-N 1 0 304.503 3.766 20 10 DHCDRO CCn1cncc1C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858292749 1032831876 /nfs/dbraw/zinc/83/18/76/1032831876.db2.gz DWJDOZMWSZSKRX-UHFFFAOYSA-N 1 0 322.456 3.909 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1C ZINC000091958197 1019495505 /nfs/dbraw/zinc/49/55/05/1019495505.db2.gz ICOFHCCFGSXIAV-AEFFLSMTSA-N 1 0 315.413 3.690 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000728593380 1019707573 /nfs/dbraw/zinc/70/75/73/1019707573.db2.gz PWZFSBOTHQBBMG-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727429372 1019713505 /nfs/dbraw/zinc/71/35/05/1019713505.db2.gz JRSRSKVXTWJAGM-YCRPNKLZSA-N 1 0 323.436 3.843 20 10 DHCDRO CCCC[C@H](CC)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727463173 1019716501 /nfs/dbraw/zinc/71/65/01/1019716501.db2.gz FAOYXWSTOYDHBJ-INIZCTEOSA-N 1 0 322.468 3.968 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc2ccccc2c1O ZINC000186515266 1019768937 /nfs/dbraw/zinc/76/89/37/1019768937.db2.gz JIVPECIXNQQHQS-SUMWQHHRSA-N 1 0 311.381 3.913 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc2c1OCCO2 ZINC000727830553 1019816946 /nfs/dbraw/zinc/81/69/46/1019816946.db2.gz BKUFLUVBPWYFLS-UHFFFAOYSA-N 1 0 313.397 3.576 20 10 DHCDRO CCC[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1O ZINC000727831242 1019818114 /nfs/dbraw/zinc/81/81/14/1019818114.db2.gz QELUOYQUTHCRPW-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH]c(=O)c3ccccc23)c1 ZINC001168713066 1019878069 /nfs/dbraw/zinc/87/80/69/1019878069.db2.gz TWXNFWOFKHDFQG-GFCCVEGCSA-N 1 0 324.380 3.505 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)c(O)c1 ZINC000186199349 1019879626 /nfs/dbraw/zinc/87/96/26/1019879626.db2.gz TXDCQJQAQBWJSA-GFCCVEGCSA-N 1 0 322.355 3.590 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922215701 1019893021 /nfs/dbraw/zinc/89/30/21/1019893021.db2.gz FAGYJTWGBHNTOR-ZDUSSCGKSA-N 1 0 313.397 3.577 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1O ZINC000309647228 1019923391 /nfs/dbraw/zinc/92/33/91/1019923391.db2.gz DDHQLKZRCXHFQF-TXPKVOOTSA-N 1 0 310.441 3.706 20 10 DHCDRO CC[N@H+](Cc1ccccc1O)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171760093 1032862820 /nfs/dbraw/zinc/86/28/20/1032862820.db2.gz QMRYLPUTXQHILR-XLIONFOSSA-N 1 0 324.468 3.877 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(Cl)nc2)C2CC2)cc1 ZINC000731752012 1020146514 /nfs/dbraw/zinc/14/65/14/1020146514.db2.gz KVLRXLDWUHZQOH-UHFFFAOYSA-N 1 0 315.848 3.966 20 10 DHCDRO c1ccc2c(NCc3ccc(N4CCCC4)cc3)cc[nH+]c2c1 ZINC000731968508 1020183263 /nfs/dbraw/zinc/18/32/63/1020183263.db2.gz CHPUBCZXERTSNH-UHFFFAOYSA-N 1 0 303.409 3.869 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000765781712 1020194195 /nfs/dbraw/zinc/19/41/95/1020194195.db2.gz PJGRUDSEWDSRNV-AEFFLSMTSA-N 1 0 313.489 3.564 20 10 DHCDRO C[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1ccccc1O ZINC000732202712 1020211210 /nfs/dbraw/zinc/21/12/10/1020211210.db2.gz DQACZMMWBCARRD-UHFFFAOYSA-N 1 0 313.441 3.610 20 10 DHCDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000186569431 1020229055 /nfs/dbraw/zinc/22/90/55/1020229055.db2.gz AAXQVBQEAIEZGV-JSGCOSHPSA-N 1 0 303.475 3.972 20 10 DHCDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000765806757 1020282547 /nfs/dbraw/zinc/28/25/47/1020282547.db2.gz ZPIDFOYHYHIFTB-QWHCGFSZSA-N 1 0 314.520 3.807 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)ccc1OC ZINC000922842526 1020299464 /nfs/dbraw/zinc/29/94/64/1020299464.db2.gz MUFNLQWGULAGHP-XJKSGUPXSA-N 1 0 309.475 3.605 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCS1 ZINC000922842500 1020299635 /nfs/dbraw/zinc/29/96/35/1020299635.db2.gz MLKNNBXHAQTEPW-JOYOIKCWSA-N 1 0 316.264 3.528 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccc(Cl)cc1 ZINC000733323301 1020370311 /nfs/dbraw/zinc/37/03/11/1020370311.db2.gz SXCBJQLCVLKUPS-UHFFFAOYSA-N 1 0 312.196 3.868 20 10 DHCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)c1ccccc1 ZINC000733324538 1020372266 /nfs/dbraw/zinc/37/22/66/1020372266.db2.gz JDMAYBKRMPPKPU-ZDUSSCGKSA-N 1 0 304.821 3.660 20 10 DHCDRO Cc1cccc(C)c1OCC[NH2+]Cc1c(O)cccc1Cl ZINC000733325054 1020372469 /nfs/dbraw/zinc/37/24/69/1020372469.db2.gz UKPDFADIQCVGKW-UHFFFAOYSA-N 1 0 305.805 3.831 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000733331787 1020376064 /nfs/dbraw/zinc/37/60/64/1020376064.db2.gz IAUZSPYGQHNSHM-UHFFFAOYSA-N 1 0 322.861 3.713 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171810821 1032896713 /nfs/dbraw/zinc/89/67/13/1032896713.db2.gz VYALFXSQVRONDZ-GOSISDBHSA-N 1 0 312.432 3.881 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000179568251 1020410300 /nfs/dbraw/zinc/41/03/00/1020410300.db2.gz NAOGQGXKGFMHPG-MRXNPFEDSA-N 1 0 311.381 3.501 20 10 DHCDRO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000733790216 1020446295 /nfs/dbraw/zinc/44/62/95/1020446295.db2.gz HMQBKGKWVSHHAX-INIZCTEOSA-N 1 0 321.461 3.642 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C)C2CCCC2)c1O ZINC000179796853 1020449744 /nfs/dbraw/zinc/44/97/44/1020449744.db2.gz OKZZWJBNNSWARS-UHFFFAOYSA-N 1 0 314.223 3.538 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c(O)c1OC ZINC000892485880 1020502289 /nfs/dbraw/zinc/50/22/89/1020502289.db2.gz OLCXJOUYXRXEJP-QGZVFWFLSA-N 1 0 313.397 3.650 20 10 DHCDRO CCC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000378815588 1020520849 /nfs/dbraw/zinc/52/08/49/1020520849.db2.gz BOYOIDUSANIHRJ-LJQANCHMSA-N 1 0 302.462 3.726 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1OC ZINC000378879461 1020523739 /nfs/dbraw/zinc/52/37/39/1020523739.db2.gz FCTFQCZMGOAWIA-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765873827 1020535319 /nfs/dbraw/zinc/53/53/19/1020535319.db2.gz WVYRQIUHUQSEHB-DOTOQJQBSA-N 1 0 310.441 3.970 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765877001 1020539350 /nfs/dbraw/zinc/53/93/50/1020539350.db2.gz MLCOZAUTGTWIRU-IIBYNOLFSA-N 1 0 324.468 3.627 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766043575 1020564038 /nfs/dbraw/zinc/56/40/38/1020564038.db2.gz MURBXFJYSAGMAF-FZKQIMNGSA-N 1 0 310.445 3.579 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000734161447 1020570214 /nfs/dbraw/zinc/57/02/14/1020570214.db2.gz RRSBXBKDUVPBSX-NRFANRHFSA-N 1 0 324.468 3.574 20 10 DHCDRO Cc1c(O)ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1O ZINC001140741986 1020573887 /nfs/dbraw/zinc/57/38/87/1020573887.db2.gz GHDDMOFINLOJLW-UHFFFAOYSA-N 1 0 303.789 3.618 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1O ZINC001116648556 1020601984 /nfs/dbraw/zinc/60/19/84/1020601984.db2.gz YIHLKMCIMQUOBD-BONVTDFDSA-N 1 0 307.825 3.889 20 10 DHCDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000858485436 1032913490 /nfs/dbraw/zinc/91/34/90/1032913490.db2.gz MXVVMZSLARJNFS-HOCLYGCPSA-N 1 0 301.430 3.993 20 10 DHCDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2O)nc1 ZINC000858488121 1032915634 /nfs/dbraw/zinc/91/56/34/1032915634.db2.gz NWNNGHTYOKAIDE-ZDUSSCGKSA-N 1 0 302.393 3.863 20 10 DHCDRO C[C@@H]([NH2+][C@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411272 1020695263 /nfs/dbraw/zinc/69/52/63/1020695263.db2.gz NMAVBTNOBQKMCG-RNCFNFMXSA-N 1 0 307.752 3.969 20 10 DHCDRO CCc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000735364618 1020722417 /nfs/dbraw/zinc/72/24/17/1020722417.db2.gz VXFODMKIDMCUEU-UHFFFAOYSA-N 1 0 324.468 3.718 20 10 DHCDRO CCc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000738160313 1020861897 /nfs/dbraw/zinc/86/18/97/1020861897.db2.gz IKTLCBQNIGZJHV-AWEZNQCLSA-N 1 0 305.462 3.863 20 10 DHCDRO CC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)N1CCCC1 ZINC000740000421 1020922672 /nfs/dbraw/zinc/92/26/72/1020922672.db2.gz CBTQAPITPKCSCE-KRWDZBQOSA-N 1 0 321.484 3.636 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000740005403 1020922928 /nfs/dbraw/zinc/92/29/28/1020922928.db2.gz BJENPSXVOOAVSD-KUHUBIRLSA-N 1 0 322.468 3.559 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)N2CCCCC2)cc1F ZINC000740004248 1020923754 /nfs/dbraw/zinc/92/37/54/1020923754.db2.gz LSQWCVKNTDZKLH-INIZCTEOSA-N 1 0 321.484 3.636 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1(C)C ZINC000740861864 1020956380 /nfs/dbraw/zinc/95/63/80/1020956380.db2.gz SCXPEBSMSXWPHS-MSOLQXFVSA-N 1 0 314.429 3.576 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCO[C@@H]21 ZINC000741255129 1020994340 /nfs/dbraw/zinc/99/43/40/1020994340.db2.gz GCCDRMGVOVAKLE-RLLQIKCJSA-N 1 0 323.436 3.962 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c(O)c1C ZINC000926962745 1032950283 /nfs/dbraw/zinc/95/02/83/1032950283.db2.gz LWGVUWGFHLNLKX-OCCSQVGLSA-N 1 0 318.383 3.542 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000741752614 1021048542 /nfs/dbraw/zinc/04/85/42/1021048542.db2.gz COKCRKQMNAZCOO-UHFFFAOYSA-N 1 0 312.413 3.503 20 10 DHCDRO CCC[N@H+](Cc1cnc(OC)c(Cl)c1)Cc1ccccc1O ZINC000751996308 1021100991 /nfs/dbraw/zinc/10/09/91/1021100991.db2.gz CYHUKXIIDBCFQD-UHFFFAOYSA-N 1 0 320.820 3.861 20 10 DHCDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742382909 1021109736 /nfs/dbraw/zinc/10/97/36/1021109736.db2.gz MQDNBRFOJREDSV-MAUKXSAKSA-N 1 0 320.452 3.721 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000742377101 1021114808 /nfs/dbraw/zinc/11/48/08/1021114808.db2.gz MODURPVWYNWYRO-AEFFLSMTSA-N 1 0 312.457 3.917 20 10 DHCDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000742377615 1021115449 /nfs/dbraw/zinc/11/54/49/1021115449.db2.gz ORIWZORTCRRJEG-GOSISDBHSA-N 1 0 317.816 3.752 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000742376797 1021115638 /nfs/dbraw/zinc/11/56/38/1021115638.db2.gz HOVJLLUXFMOMKR-OTWHNJEPSA-N 1 0 316.489 3.826 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000756033467 1021189574 /nfs/dbraw/zinc/18/95/74/1021189574.db2.gz MNGKSKQFIJDVBE-WSVYEEACSA-N 1 0 323.845 3.634 20 10 DHCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001202457548 1021262949 /nfs/dbraw/zinc/26/29/49/1021262949.db2.gz RJTQRWPCMWLMKE-DLBZAZTESA-N 1 0 320.452 3.578 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)CCC2 ZINC000917484900 1021274664 /nfs/dbraw/zinc/27/46/64/1021274664.db2.gz KALXQORGNLAGQD-UHFFFAOYSA-N 1 0 322.452 3.593 20 10 DHCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000743394075 1021281904 /nfs/dbraw/zinc/28/19/04/1021281904.db2.gz CINLEZHZRJXFSH-QGZVFWFLSA-N 1 0 304.478 3.740 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000743377544 1021284592 /nfs/dbraw/zinc/28/45/92/1021284592.db2.gz PSGHADVZFIUKBH-BETUJISGSA-N 1 0 317.454 3.880 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1C ZINC000743408855 1021289475 /nfs/dbraw/zinc/28/94/75/1021289475.db2.gz OZLQBUBXEKDNAR-APWZRJJASA-N 1 0 311.425 3.971 20 10 DHCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000743500374 1021305702 /nfs/dbraw/zinc/30/57/02/1021305702.db2.gz ZCRAOBZXPKZSKJ-DNVCBOLYSA-N 1 0 313.441 3.946 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2OC(F)F)cc1 ZINC000850011962 1021395017 /nfs/dbraw/zinc/39/50/17/1021395017.db2.gz YQGHHSQTRYWFFQ-UHFFFAOYSA-N 1 0 324.346 3.783 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000166312732 1021399667 /nfs/dbraw/zinc/39/96/67/1021399667.db2.gz ZLESAMJRHKCUGM-UZLBHIALSA-N 1 0 315.505 3.668 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1C ZINC000756078570 1021418365 /nfs/dbraw/zinc/41/83/65/1021418365.db2.gz MVKLYVDBMMRRNB-GXTWGEPZSA-N 1 0 322.449 3.573 20 10 DHCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850095825 1021418810 /nfs/dbraw/zinc/41/88/10/1021418810.db2.gz MFXUIVSOFPNVRM-UHFFFAOYSA-N 1 0 324.472 3.578 20 10 DHCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850167542 1021430522 /nfs/dbraw/zinc/43/05/22/1021430522.db2.gz DXGRJTMHAOFFET-DZGCQCFKSA-N 1 0 323.477 3.585 20 10 DHCDRO COc1cc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850233991 1021449455 /nfs/dbraw/zinc/44/94/55/1021449455.db2.gz NXWPKLLAPOJCBT-CHWSQXEVSA-N 1 0 321.461 3.744 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850237065 1021451942 /nfs/dbraw/zinc/45/19/42/1021451942.db2.gz XHRBPEFGFWAKOZ-SUMWQHHRSA-N 1 0 321.461 3.603 20 10 DHCDRO COCc1csc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000850252627 1021456314 /nfs/dbraw/zinc/45/63/14/1021456314.db2.gz URYSHLMYPXLBDJ-ZDUSSCGKSA-N 1 0 304.459 3.811 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CSC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295106 1021467773 /nfs/dbraw/zinc/46/77/73/1021467773.db2.gz RZTAEAYQVPTJGR-NHYWBVRUSA-N 1 0 309.475 3.539 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCS[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850340663 1021478626 /nfs/dbraw/zinc/47/86/26/1021478626.db2.gz YGXIADWKHPYFBI-ABAIWWIYSA-N 1 0 309.475 3.682 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850340664 1021478663 /nfs/dbraw/zinc/47/86/63/1021478663.db2.gz YGXIADWKHPYFBI-IAQYHMDHSA-N 1 0 309.475 3.682 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2C)c1O ZINC000850350216 1021484078 /nfs/dbraw/zinc/48/40/78/1021484078.db2.gz QJCGWRJEOJPITI-ZDUSSCGKSA-N 1 0 303.377 3.569 20 10 DHCDRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000850386820 1021502992 /nfs/dbraw/zinc/50/29/92/1021502992.db2.gz SPYPBAWAROTXPY-QFBILLFUSA-N 1 0 308.425 3.518 20 10 DHCDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(N2CCCCC2)cc1 ZINC000182148720 1021505922 /nfs/dbraw/zinc/50/59/22/1021505922.db2.gz SLDKNSFRTYVKDG-QGZVFWFLSA-N 1 0 304.478 3.880 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394744 1021507194 /nfs/dbraw/zinc/50/71/94/1021507194.db2.gz BQVLHJMBHZWGKK-UXHICEINSA-N 1 0 313.441 3.851 20 10 DHCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406066 1021513872 /nfs/dbraw/zinc/51/38/72/1021513872.db2.gz QACAWQDAUQGYNU-SJLPKXTDSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406446 1021514216 /nfs/dbraw/zinc/51/42/16/1021514216.db2.gz GXJZQRPNPRTEOB-SJLPKXTDSA-N 1 0 316.489 3.564 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000850429746 1021525571 /nfs/dbraw/zinc/52/55/71/1021525571.db2.gz IREWTRQOECROSV-HNNXBMFYSA-N 1 0 320.502 3.539 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2c(c1)CCCO2 ZINC000850431000 1021528833 /nfs/dbraw/zinc/52/88/33/1021528833.db2.gz XUXFOFPTXTYDMO-AWEZNQCLSA-N 1 0 309.409 3.797 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3csc(C)c3)C2)cc1 ZINC000850485619 1021558669 /nfs/dbraw/zinc/55/86/69/1021558669.db2.gz ACOOSOQVBFSZMV-GDBMZVCRSA-N 1 0 316.470 3.995 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490271 1021561545 /nfs/dbraw/zinc/56/15/45/1021561545.db2.gz YSODKEYFYGQFQX-KSSFIOAISA-N 1 0 320.452 3.628 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3sccc3C)C2)cc1 ZINC000850487062 1021561689 /nfs/dbraw/zinc/56/16/89/1021561689.db2.gz DYXXZXOLKSFRID-LSDHHAIUSA-N 1 0 316.470 3.995 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccnc3ccccc23)c1 ZINC000850505337 1021566349 /nfs/dbraw/zinc/56/63/49/1021566349.db2.gz BEFGGZTYVAWCMK-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1ccccc1O ZINC000850505072 1021566670 /nfs/dbraw/zinc/56/66/70/1021566670.db2.gz MASSLVQLYXSRLE-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccccc1O ZINC000850515296 1021573660 /nfs/dbraw/zinc/57/36/60/1021573660.db2.gz VYFVWGNZPLIQFB-MSOLQXFVSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)cc1O ZINC000850525129 1021577555 /nfs/dbraw/zinc/57/75/55/1021577555.db2.gz GVKLUSMOWZXULJ-FGDXXIHYSA-N 1 0 303.789 3.875 20 10 DHCDRO CCCSC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728881 1021581073 /nfs/dbraw/zinc/58/10/73/1021581073.db2.gz GKZIMMKZUQQALY-HOTGVXAUSA-N 1 0 322.518 3.706 20 10 DHCDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)ccc1O ZINC000850531098 1021585082 /nfs/dbraw/zinc/58/50/82/1021585082.db2.gz AKTVYSYKGZTUBH-FZQKWOKYSA-N 1 0 317.763 3.511 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000850531192 1021585325 /nfs/dbraw/zinc/58/53/25/1021585325.db2.gz GXKNBONSBCWDQN-DZKIICNBSA-N 1 0 313.397 3.661 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000850531538 1021585945 /nfs/dbraw/zinc/58/59/45/1021585945.db2.gz LHKKQOKNZNQSGP-NJAFHUGGSA-N 1 0 311.425 3.924 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535912 1021589268 /nfs/dbraw/zinc/58/92/68/1021589268.db2.gz DRLQXSUVLOJHBY-PRHODGIISA-N 1 0 320.177 3.851 20 10 DHCDRO C[C@@H]([NH2+]CC1SCCS1)c1cc2c(cc1O)CCCC2 ZINC000850559743 1021603500 /nfs/dbraw/zinc/60/35/00/1021603500.db2.gz FTDSZSVAKDIBCJ-LLVKDONJSA-N 1 0 309.500 3.728 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379630256 1021611054 /nfs/dbraw/zinc/61/10/54/1021611054.db2.gz PIEVLRYFWVMHRK-FXAWDEMLSA-N 1 0 324.468 3.843 20 10 DHCDRO CCCC[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567222 1021610976 /nfs/dbraw/zinc/61/09/76/1021610976.db2.gz YLSZJUKZAHGGFG-KRWDZBQOSA-N 1 0 304.478 3.706 20 10 DHCDRO C[C@H]([NH2+]CCC1SCCS1)c1ccc(Cl)cc1O ZINC000850569050 1021611026 /nfs/dbraw/zinc/61/10/26/1021611026.db2.gz RQDHMHNXNLFCFA-VIFPVBQESA-N 1 0 303.880 3.892 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1O ZINC000850573096 1021616032 /nfs/dbraw/zinc/61/60/32/1021616032.db2.gz JFJUWLOJOCZFQG-ZJNRKIDTSA-N 1 0 319.832 3.861 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850583552 1021622477 /nfs/dbraw/zinc/62/24/77/1021622477.db2.gz LJSDXZVJSMFDGM-NCPSFGDWSA-N 1 0 315.388 3.791 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000182446666 1021655759 /nfs/dbraw/zinc/65/57/59/1021655759.db2.gz STZZRELZKINYMN-SUNYJGFJSA-N 1 0 307.434 3.647 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1c(C)noc1C ZINC000182459694 1021663653 /nfs/dbraw/zinc/66/36/53/1021663653.db2.gz SLEBESGPOWFQPR-OAHLLOKOSA-N 1 0 320.364 3.580 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000776498576 1021678029 /nfs/dbraw/zinc/67/80/29/1021678029.db2.gz OGJLXNVWECNNGR-UGSOOPFHSA-N 1 0 303.377 3.706 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000328128946 1021691868 /nfs/dbraw/zinc/69/18/68/1021691868.db2.gz NOEHZFBWUDISAM-GOSISDBHSA-N 1 0 310.441 3.626 20 10 DHCDRO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237123492 1021703673 /nfs/dbraw/zinc/70/36/73/1021703673.db2.gz IXJUEMASQCRDRH-DTORHVGOSA-N 1 0 305.727 3.662 20 10 DHCDRO Oc1ccccc1C[N@H+](CCc1cccs1)C[C@@H]1CCCO1 ZINC000109761868 1021744499 /nfs/dbraw/zinc/74/44/99/1021744499.db2.gz ZKGONFFMDRHMQU-INIZCTEOSA-N 1 0 317.454 3.677 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c(O)c1OC ZINC000893098584 1021921365 /nfs/dbraw/zinc/92/13/65/1021921365.db2.gz BJSULFCOAPAYHE-ZIAGYGMSSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c(O)c1OC ZINC000893098581 1021921756 /nfs/dbraw/zinc/92/17/56/1021921756.db2.gz BJSULFCOAPAYHE-KBPBESRZSA-N 1 0 315.413 3.691 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1 ZINC000851722615 1021973157 /nfs/dbraw/zinc/97/31/57/1021973157.db2.gz YBYBRRQRPINXFF-UHFFFAOYSA-N 1 0 320.440 3.718 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000070976069 1021995163 /nfs/dbraw/zinc/99/51/63/1021995163.db2.gz OPBLRBKIZABCHM-KRWDZBQOSA-N 1 0 315.388 3.713 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)cc1 ZINC000155180383 1022037701 /nfs/dbraw/zinc/03/77/01/1022037701.db2.gz OHHKAFUDHXGEMT-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C1CCOCC1 ZINC000766385756 1022085276 /nfs/dbraw/zinc/08/52/76/1022085276.db2.gz AGTJOMSAPMOPTO-BEFAXECRSA-N 1 0 304.478 3.999 20 10 DHCDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000766377888 1022086808 /nfs/dbraw/zinc/08/68/08/1022086808.db2.gz NCDCCZHPIHJVNN-CQSZACIVSA-N 1 0 308.429 3.788 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccc1O ZINC000183428008 1022142310 /nfs/dbraw/zinc/14/23/10/1022142310.db2.gz VIAGDPCWJRGFGE-HNNXBMFYSA-N 1 0 311.429 3.628 20 10 DHCDRO CCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000766525733 1022169442 /nfs/dbraw/zinc/16/94/42/1022169442.db2.gz AYSLAQWZYZVWTE-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO CCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000766525736 1022169802 /nfs/dbraw/zinc/16/98/02/1022169802.db2.gz AYSLAQWZYZVWTE-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c2ccccc2n1 ZINC000183534339 1022173914 /nfs/dbraw/zinc/17/39/14/1022173914.db2.gz JWMLPHQOZIADMI-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO O=C(C=C1CC[NH2+]CC1)N(Cc1ccsc1)c1ccccc1 ZINC000852831357 1022181706 /nfs/dbraw/zinc/18/17/06/1022181706.db2.gz SFLPSZOSSMSMJN-UHFFFAOYSA-N 1 0 312.438 3.591 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000920956513 1022193465 /nfs/dbraw/zinc/19/34/65/1022193465.db2.gz HFCUBISTXWDVDY-ZDUSSCGKSA-N 1 0 301.261 3.816 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(-c2ncco2)cc1F ZINC001167733762 1022198083 /nfs/dbraw/zinc/19/80/83/1022198083.db2.gz COIXROGTBQQYIA-UHFFFAOYSA-N 1 0 312.344 3.818 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000183632361 1022217054 /nfs/dbraw/zinc/21/70/54/1022217054.db2.gz CGRMPTNELBODLR-LSDHHAIUSA-N 1 0 314.404 3.851 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cnccc1C(F)(F)F)CC2 ZINC000853242101 1022242900 /nfs/dbraw/zinc/24/29/00/1022242900.db2.gz VVVJTNZBEKJBJO-CYBMUJFWSA-N 1 0 308.303 3.583 20 10 DHCDRO COc1cc(C)cc(C[NH+]2CCC(c3ccco3)CC2)c1O ZINC000853526885 1022285943 /nfs/dbraw/zinc/28/59/43/1022285943.db2.gz BHGFLIXHPNBCAP-UHFFFAOYSA-N 1 0 301.386 3.682 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000182466826 1022290835 /nfs/dbraw/zinc/29/08/35/1022290835.db2.gz GPFLIOYEPKMWHL-APPDUMDISA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631259 1022301176 /nfs/dbraw/zinc/30/11/76/1022301176.db2.gz UQQOLVZOYMFBEF-KZULUSFZSA-N 1 0 321.367 3.790 20 10 DHCDRO CCN1CCC([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001169244274 1022322461 /nfs/dbraw/zinc/32/24/61/1022322461.db2.gz LBAAEIFFWPFMQD-LJQANCHMSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC001169340915 1022360717 /nfs/dbraw/zinc/36/07/17/1022360717.db2.gz BYPZEHLJPUVNBU-FQEVSTJZSA-N 1 0 316.489 3.986 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000877827545 1033475466 /nfs/dbraw/zinc/47/54/66/1033475466.db2.gz AMWYPSJMUDGMEI-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)ccc1O ZINC000185233962 1022468759 /nfs/dbraw/zinc/46/87/59/1022468759.db2.gz ATYBQXCSXNGXAH-CYBMUJFWSA-N 1 0 314.404 3.765 20 10 DHCDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000179562952 1022471378 /nfs/dbraw/zinc/47/13/78/1022471378.db2.gz SZXPNGIFCJKYSS-UHFFFAOYSA-N 1 0 300.358 3.711 20 10 DHCDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237717898 1022506621 /nfs/dbraw/zinc/50/66/21/1022506621.db2.gz WHPNQTCNMJBESJ-UHFFFAOYSA-N 1 0 306.409 3.744 20 10 DHCDRO CC1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179718340 1022516381 /nfs/dbraw/zinc/51/63/81/1022516381.db2.gz IKHVJLAOYNVFRH-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Br ZINC001237678302 1022520773 /nfs/dbraw/zinc/52/07/73/1022520773.db2.gz XXXWNIPHGOISAH-TXEJJXNPSA-N 1 0 310.235 3.695 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000186009448 1022541074 /nfs/dbraw/zinc/54/10/74/1022541074.db2.gz DJCJOLDBFWMPHX-MEDUHNTESA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cc(Br)cc(C[N@@H+]2CCCC2(C)C)c1O ZINC000179817674 1022550304 /nfs/dbraw/zinc/55/03/04/1022550304.db2.gz XIQJCGYOJBQGGA-UHFFFAOYSA-N 1 0 314.223 3.538 20 10 DHCDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)CCO4)c21 ZINC000237832235 1022555264 /nfs/dbraw/zinc/55/52/64/1022555264.db2.gz NMMXZSVVZUAJHX-UHFFFAOYSA-N 1 0 306.409 3.744 20 10 DHCDRO Cc1cccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)c[nH]c21 ZINC000237839281 1022561638 /nfs/dbraw/zinc/56/16/38/1022561638.db2.gz UGKBHFCBSMQIRU-UHFFFAOYSA-N 1 0 306.409 3.744 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000179889349 1022575675 /nfs/dbraw/zinc/57/56/75/1022575675.db2.gz QIGGWQTXCCUYGW-HNNXBMFYSA-N 1 0 321.417 3.774 20 10 DHCDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccccc1O ZINC000237895993 1022598573 /nfs/dbraw/zinc/59/85/73/1022598573.db2.gz IDLDVONZLZKBMJ-UHFFFAOYSA-N 1 0 321.424 3.609 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000113320226 1022628558 /nfs/dbraw/zinc/62/85/58/1022628558.db2.gz WHJKWEBHGQKORU-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068478566 1022651732 /nfs/dbraw/zinc/65/17/32/1022651732.db2.gz IILXSONVADHZDC-QGZVFWFLSA-N 1 0 324.468 3.936 20 10 DHCDRO COC1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCC1 ZINC000180195870 1022658422 /nfs/dbraw/zinc/65/84/22/1022658422.db2.gz MGLZSEQXGFLSCM-INIZCTEOSA-N 1 0 302.462 3.897 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCS1 ZINC000691440207 1022692761 /nfs/dbraw/zinc/69/27/61/1022692761.db2.gz OCUJOKMTMQEAGX-CYBMUJFWSA-N 1 0 316.264 3.530 20 10 DHCDRO Cc1nc(CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cs1 ZINC000767347526 1022694234 /nfs/dbraw/zinc/69/42/34/1022694234.db2.gz AENSMFGHDACSLV-UHFFFAOYSA-N 1 0 317.502 3.971 20 10 DHCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2ccccc2c1O ZINC000367439526 1022717400 /nfs/dbraw/zinc/71/74/00/1022717400.db2.gz VGFLSQZFZBERCD-AWEZNQCLSA-N 1 0 321.424 3.929 20 10 DHCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000113923853 1022755174 /nfs/dbraw/zinc/75/51/74/1022755174.db2.gz YHYYIMLBVHLISV-CQSZACIVSA-N 1 0 321.461 3.644 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(OC(F)F)c1 ZINC000742373881 1022825648 /nfs/dbraw/zinc/82/56/48/1022825648.db2.gz SZIIWMFMMKDWCW-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000114506281 1022841847 /nfs/dbraw/zinc/84/18/47/1022841847.db2.gz OAYADBXRFJFCLF-UHFFFAOYSA-N 1 0 309.365 3.951 20 10 DHCDRO Cc1occc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000092438678 1022843054 /nfs/dbraw/zinc/84/30/54/1022843054.db2.gz COKPRSDSJXDAEU-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876545744 1033085876 /nfs/dbraw/zinc/08/58/76/1033085876.db2.gz NEWNHTWANLRIRV-QGZVFWFLSA-N 1 0 324.468 3.841 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000768200360 1022912757 /nfs/dbraw/zinc/91/27/57/1022912757.db2.gz NAAGSUGHJQLPRI-UHFFFAOYSA-N 1 0 320.383 3.671 20 10 DHCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000768209018 1022915133 /nfs/dbraw/zinc/91/51/33/1022915133.db2.gz XAUKCPAYIAQQQF-UHFFFAOYSA-N 1 0 324.468 3.772 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCCC1 ZINC000876563219 1033091667 /nfs/dbraw/zinc/09/16/67/1033091667.db2.gz ZTLTWUFBYCECLD-UHFFFAOYSA-N 1 0 316.489 3.660 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000876558117 1033091793 /nfs/dbraw/zinc/09/17/93/1033091793.db2.gz IIOUENLSLVRBOG-FQEVSTJZSA-N 1 0 311.425 3.646 20 10 DHCDRO CC1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768196562 1022924057 /nfs/dbraw/zinc/92/40/57/1022924057.db2.gz DXJYAQWDYZEVOB-UHFFFAOYSA-N 1 0 320.452 3.673 20 10 DHCDRO CCOc1cccc(C[N@H+](C)CCOc2ccccc2C)c1O ZINC000768212388 1022924643 /nfs/dbraw/zinc/92/46/43/1022924643.db2.gz HSZBBIYIVYIIGZ-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO CCOc1ccc(C[N@H+](CCOC)Cc2cccs2)c(O)c1 ZINC000768197680 1022926179 /nfs/dbraw/zinc/92/61/79/1022926179.db2.gz LUCKESXEGYOPKK-UHFFFAOYSA-N 1 0 321.442 3.501 20 10 DHCDRO CC(C)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768257126 1022936584 /nfs/dbraw/zinc/93/65/84/1022936584.db2.gz GZAVSQQNXWXCAH-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000768296655 1022942364 /nfs/dbraw/zinc/94/23/64/1022942364.db2.gz YAMLUPNMOAAXFC-SLFFLAALSA-N 1 0 316.489 3.999 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000768296657 1022943411 /nfs/dbraw/zinc/94/34/11/1022943411.db2.gz YAMLUPNMOAAXFC-XUVXKRRUSA-N 1 0 316.489 3.999 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC000768363850 1022953213 /nfs/dbraw/zinc/95/32/13/1022953213.db2.gz DRXLCKVBZBHTAB-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO CC(C)CC[NH+](CCC(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442433 1022967411 /nfs/dbraw/zinc/96/74/11/1022967411.db2.gz WBEIDTYWDWIWAM-GOSISDBHSA-N 1 0 321.461 3.712 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC(C3CCCC3)CC2)cc1OC ZINC000768465352 1022973750 /nfs/dbraw/zinc/97/37/50/1022973750.db2.gz HJDNWZVIIFQEPV-UHFFFAOYSA-N 1 0 319.445 3.812 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCSC(CC)(CC)C2)c1O ZINC000768529267 1022980759 /nfs/dbraw/zinc/98/07/59/1022980759.db2.gz RQUUMRQNEZVMCG-UHFFFAOYSA-N 1 0 309.475 3.899 20 10 DHCDRO COCC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000768541273 1022985830 /nfs/dbraw/zinc/98/58/30/1022985830.db2.gz MGTJVICNUMHIME-CQSZACIVSA-N 1 0 311.853 3.993 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278831198 1022992955 /nfs/dbraw/zinc/99/29/55/1022992955.db2.gz UARREXZZHFUZLW-RVBZMBCESA-N 1 0 304.217 3.775 20 10 DHCDRO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000123431594 1023039878 /nfs/dbraw/zinc/03/98/78/1023039878.db2.gz ACAHWLDEMUNSME-SFHVURJKSA-N 1 0 324.468 3.807 20 10 DHCDRO Cc1ccc(O)c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000768913742 1023055766 /nfs/dbraw/zinc/05/57/66/1023055766.db2.gz RRJUDGHKXRLONK-BQFCYCMXSA-N 1 0 302.462 3.538 20 10 DHCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000319392094 1023058823 /nfs/dbraw/zinc/05/88/23/1023058823.db2.gz CBPCKTFHCVTHON-UHFFFAOYSA-N 1 0 302.462 3.583 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(O)c1 ZINC000769106452 1023084527 /nfs/dbraw/zinc/08/45/27/1023084527.db2.gz TXUMWXJCZXAGMQ-GOSISDBHSA-N 1 0 313.397 3.834 20 10 DHCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000769103829 1023092174 /nfs/dbraw/zinc/09/21/74/1023092174.db2.gz CNOCGQKZJUFWPL-APWZRJJASA-N 1 0 302.462 3.676 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)C(C)C ZINC000769155874 1023092820 /nfs/dbraw/zinc/09/28/20/1023092820.db2.gz YZZGPFGPWXCHJG-OAHLLOKOSA-N 1 0 308.441 3.529 20 10 DHCDRO CCC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1O ZINC000769201308 1023101871 /nfs/dbraw/zinc/10/18/71/1023101871.db2.gz RPTCDAWSRQSWJH-UHFFFAOYSA-N 1 0 309.413 3.691 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000769218869 1023103042 /nfs/dbraw/zinc/10/30/42/1023103042.db2.gz UXLNCDQZWQELSF-UHFFFAOYSA-N 1 0 319.445 3.715 20 10 DHCDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769339493 1023128353 /nfs/dbraw/zinc/12/83/53/1023128353.db2.gz QIOKKLRYCFCTCB-DLBZAZTESA-N 1 0 316.489 3.922 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000769340754 1023128643 /nfs/dbraw/zinc/12/86/43/1023128643.db2.gz XUITVVNUUDVOBN-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1O ZINC000769339374 1023129474 /nfs/dbraw/zinc/12/94/74/1023129474.db2.gz WCXAIZRNBAMKCE-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)CC1 ZINC000769384287 1023137651 /nfs/dbraw/zinc/13/76/51/1023137651.db2.gz NETDYFNEWBWBRW-MRXNPFEDSA-N 1 0 307.434 3.572 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCCc3sccc3C2)c(O)c1 ZINC000769382927 1023137866 /nfs/dbraw/zinc/13/78/66/1023137866.db2.gz YWMUBTSCHLKSTE-UHFFFAOYSA-N 1 0 303.427 3.801 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000769390308 1023138936 /nfs/dbraw/zinc/13/89/36/1023138936.db2.gz UOGNKVQMGAQEMW-LBPRGKRZSA-N 1 0 305.805 3.814 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1 ZINC000769399825 1023139398 /nfs/dbraw/zinc/13/93/98/1023139398.db2.gz USOSYPJCNGUZEX-SFHVURJKSA-N 1 0 304.478 3.781 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1 ZINC000769399823 1023140025 /nfs/dbraw/zinc/14/00/25/1023140025.db2.gz USOSYPJCNGUZEX-GOSISDBHSA-N 1 0 304.478 3.781 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000769427001 1023146608 /nfs/dbraw/zinc/14/66/08/1023146608.db2.gz XJPSIVGZKQFYQO-OAHLLOKOSA-N 1 0 315.388 3.605 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCc3ccccc3C2)c1O ZINC000769428452 1023147397 /nfs/dbraw/zinc/14/73/97/1023147397.db2.gz RTVUPEKSVJVEJN-SFHVURJKSA-N 1 0 311.425 3.780 20 10 DHCDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000194044049 1023149476 /nfs/dbraw/zinc/14/94/76/1023149476.db2.gz BVNCBADEBBDLPS-AWEZNQCLSA-N 1 0 312.404 3.957 20 10 DHCDRO CCC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451817 1023156072 /nfs/dbraw/zinc/15/60/72/1023156072.db2.gz OILFOFOIQKULRQ-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1 ZINC000769456541 1023158065 /nfs/dbraw/zinc/15/80/65/1023158065.db2.gz KYOJICBBUHTEQZ-IBGZPJMESA-N 1 0 313.441 3.720 20 10 DHCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769471644 1023163749 /nfs/dbraw/zinc/16/37/49/1023163749.db2.gz WXBWJRMFSIDTEK-NXHRZFHOSA-N 1 0 303.446 3.726 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769476199 1023164678 /nfs/dbraw/zinc/16/46/78/1023164678.db2.gz XGPFVDWQJAFVCE-JXFKEZNVSA-N 1 0 311.425 3.971 20 10 DHCDRO Fc1cc(C[NH+]2C3CCCC2CCC3)ccc1N1CCOCC1 ZINC000769498070 1023165982 /nfs/dbraw/zinc/16/59/82/1023165982.db2.gz DQQAVMYLHZOYIE-UHFFFAOYSA-N 1 0 318.436 3.569 20 10 DHCDRO Oc1cccc(Cl)c1CN1CCOC[C@@H]1c1ccccc1 ZINC000769504331 1023168402 /nfs/dbraw/zinc/16/84/02/1023168402.db2.gz UHUHTUMGZMQBFK-MRXNPFEDSA-N 1 0 303.789 3.619 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000769514277 1023171280 /nfs/dbraw/zinc/17/12/80/1023171280.db2.gz IJYGEJDXUGWMCQ-IAGOWNOFSA-N 1 0 320.452 3.530 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769513562 1023171879 /nfs/dbraw/zinc/17/18/79/1023171879.db2.gz BQWFNCJLJWPRGI-MOPGFXCFSA-N 1 0 323.436 3.918 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000769514279 1023171902 /nfs/dbraw/zinc/17/19/02/1023171902.db2.gz IJYGEJDXUGWMCQ-IRXDYDNUSA-N 1 0 320.452 3.530 20 10 DHCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000769874494 1023237540 /nfs/dbraw/zinc/23/75/40/1023237540.db2.gz OIKOYDBEXYAEGM-CYBMUJFWSA-N 1 0 313.445 3.779 20 10 DHCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000769968155 1023247390 /nfs/dbraw/zinc/24/73/90/1023247390.db2.gz MVMBENPPCWKDJG-CYBMUJFWSA-N 1 0 304.459 3.982 20 10 DHCDRO COc1ccc(N2CC[NH+](Cc3sccc3C)CC2)cc1F ZINC000770304918 1023294721 /nfs/dbraw/zinc/29/47/21/1023294721.db2.gz FCTQGSHXYZPYCT-UHFFFAOYSA-N 1 0 320.433 3.526 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)CCOCc2ccccc2)cc1F ZINC000770305063 1023295183 /nfs/dbraw/zinc/29/51/83/1023295183.db2.gz IAFYECXREVOCAW-UHFFFAOYSA-N 1 0 316.420 3.540 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000770506118 1023316458 /nfs/dbraw/zinc/31/64/58/1023316458.db2.gz TVRXDGVIEUBHED-UHFFFAOYSA-N 1 0 318.214 3.713 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000770746741 1023347105 /nfs/dbraw/zinc/34/71/05/1023347105.db2.gz OBFLQQHRSYCNMP-LIRRHRJNSA-N 1 0 316.420 3.758 20 10 DHCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825892231 1033125550 /nfs/dbraw/zinc/12/55/50/1033125550.db2.gz BJDKXFMRPMUHLK-UHFFFAOYSA-N 1 0 308.809 3.984 20 10 DHCDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876726226 1033128974 /nfs/dbraw/zinc/12/89/74/1033128974.db2.gz WMLPXSREZZKXIB-SFHVURJKSA-N 1 0 316.489 3.516 20 10 DHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)cc1 ZINC000771933502 1023490023 /nfs/dbraw/zinc/49/00/23/1023490023.db2.gz KLFMUWLCVYBGRW-KRWDZBQOSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1ccc(N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000771940496 1023490477 /nfs/dbraw/zinc/49/04/77/1023490477.db2.gz TZKCVVVABJRNKZ-UHFFFAOYSA-N 1 0 310.441 3.721 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(O)c1 ZINC000876778662 1033140426 /nfs/dbraw/zinc/14/04/26/1033140426.db2.gz LKAANDZDTMGVCG-DYVFJYSZSA-N 1 0 303.427 3.724 20 10 DHCDRO CCC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876773053 1033140478 /nfs/dbraw/zinc/14/04/78/1033140478.db2.gz VJDVPDASXGJRBF-KRWDZBQOSA-N 1 0 316.489 3.660 20 10 DHCDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000785557662 1023590761 /nfs/dbraw/zinc/59/07/61/1023590761.db2.gz AHTWVSMWADWWKB-IERDGZPVSA-N 1 0 324.468 3.711 20 10 DHCDRO COc1cccc(C[NH2+]CCCOc2cccc(C)c2C)c1O ZINC000785579807 1023595625 /nfs/dbraw/zinc/59/56/25/1023595625.db2.gz YXGFUJFGHDZIGF-UHFFFAOYSA-N 1 0 315.413 3.576 20 10 DHCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000876804187 1033147145 /nfs/dbraw/zinc/14/71/45/1033147145.db2.gz NJHKSAXROSNMEX-DOTOQJQBSA-N 1 0 317.454 3.850 20 10 DHCDRO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000785989652 1023648632 /nfs/dbraw/zinc/64/86/32/1023648632.db2.gz WTTBIXSDUYDOLG-AUUYWEPGSA-N 1 0 316.420 3.621 20 10 DHCDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000785989655 1023648732 /nfs/dbraw/zinc/64/87/32/1023648732.db2.gz WTTBIXSDUYDOLG-LIRRHRJNSA-N 1 0 316.420 3.621 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000786915075 1023736616 /nfs/dbraw/zinc/73/66/16/1023736616.db2.gz DMVHCBBZLZOMAW-MAUKXSAKSA-N 1 0 310.441 3.797 20 10 DHCDRO CCOC(CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)OCC ZINC000786970458 1023742219 /nfs/dbraw/zinc/74/22/19/1023742219.db2.gz MFNVDIJRSGHNBJ-AWEZNQCLSA-N 1 0 321.461 3.711 20 10 DHCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCCO1)Cc1ccco1 ZINC000787261985 1023777635 /nfs/dbraw/zinc/77/76/35/1023777635.db2.gz YDNABYUSESVSDH-MRXNPFEDSA-N 1 0 301.386 3.557 20 10 DHCDRO CCCC[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000236759646 1023808893 /nfs/dbraw/zinc/80/88/93/1023808893.db2.gz HOXDTSNBTFFNAT-UHFFFAOYSA-N 1 0 317.521 3.887 20 10 DHCDRO CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788504154 1023896803 /nfs/dbraw/zinc/89/68/03/1023896803.db2.gz BKSUFHVXANCENJ-LBPRGKRZSA-N 1 0 318.383 3.792 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1O ZINC000788532175 1023906712 /nfs/dbraw/zinc/90/67/12/1023906712.db2.gz NGKZEGROXHGURQ-UHFFFAOYSA-N 1 0 313.731 3.622 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000788529482 1023906992 /nfs/dbraw/zinc/90/69/92/1023906992.db2.gz NCIXMJVPDLDTHJ-UHFFFAOYSA-N 1 0 316.489 3.565 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1F ZINC000788594926 1023911148 /nfs/dbraw/zinc/91/11/48/1023911148.db2.gz YBFUPVOBSOECHF-ZDUSSCGKSA-N 1 0 317.408 3.623 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000788687628 1023919848 /nfs/dbraw/zinc/91/98/48/1023919848.db2.gz RLUJXQGYMXXVRD-AUUYWEPGSA-N 1 0 317.404 3.706 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788795567 1023934556 /nfs/dbraw/zinc/93/45/56/1023934556.db2.gz AHFMNZFUKYNODB-AWEZNQCLSA-N 1 0 314.385 3.811 20 10 DHCDRO Cc1nccn1CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278858151 1023968374 /nfs/dbraw/zinc/96/83/74/1023968374.db2.gz WBXNAEQCHZLIKR-SECBINFHSA-N 1 0 314.216 3.555 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1c(C)cccc1O ZINC000876892162 1033176909 /nfs/dbraw/zinc/17/69/09/1033176909.db2.gz LNAXKGXGWYKMSV-UHFFFAOYSA-N 1 0 309.413 3.539 20 10 DHCDRO CCC[NH+]1CCC(NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000236779005 1024040887 /nfs/dbraw/zinc/04/08/87/1024040887.db2.gz OOXNDGTVFXLMKN-UHFFFAOYSA-N 1 0 321.484 3.636 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000789386795 1024055688 /nfs/dbraw/zinc/05/56/88/1024055688.db2.gz HEWLHRXAFVFUCJ-YWZLYKJASA-N 1 0 312.457 3.699 20 10 DHCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905960 1033181780 /nfs/dbraw/zinc/18/17/80/1033181780.db2.gz NRYMJALFKQVNSO-LHSJRXKWSA-N 1 0 312.394 3.565 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000789511422 1024107012 /nfs/dbraw/zinc/10/70/12/1024107012.db2.gz ZYLJHFPHQDIIAI-NVXWUHKLSA-N 1 0 319.445 3.539 20 10 DHCDRO COc1cc(C[NH+]2CCC(CC(F)(F)F)CC2)c(O)cc1C ZINC000789531001 1024108367 /nfs/dbraw/zinc/10/83/67/1024108367.db2.gz QVFRYNSOVNXDJC-UHFFFAOYSA-N 1 0 317.351 3.874 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)c1 ZINC000789589280 1024119947 /nfs/dbraw/zinc/11/99/47/1024119947.db2.gz KLYPXAUVTOHXLC-OAHLLOKOSA-N 1 0 314.404 3.550 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000130048046 1024126702 /nfs/dbraw/zinc/12/67/02/1024126702.db2.gz HUPKEJNBJRIXTB-QGZVFWFLSA-N 1 0 302.462 3.534 20 10 DHCDRO Oc1c(F)cc(F)cc1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000882907052 1024166763 /nfs/dbraw/zinc/16/67/63/1024166763.db2.gz JMYPBNLDUGATPP-UHFFFAOYSA-N 1 0 318.367 3.878 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000268844107 1024177537 /nfs/dbraw/zinc/17/75/37/1024177537.db2.gz VAAMNXXJLAZMBW-KBXCAEBGSA-N 1 0 312.461 3.604 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000268890542 1024189346 /nfs/dbraw/zinc/18/93/46/1024189346.db2.gz NXMMQDRHBXKIKA-IPELMVKDSA-N 1 0 302.462 3.631 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000130692228 1024202209 /nfs/dbraw/zinc/20/22/09/1024202209.db2.gz OHGXBOZEBFNUPW-PMACEKPBSA-N 1 0 312.457 3.835 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697826763 1033194183 /nfs/dbraw/zinc/19/41/83/1033194183.db2.gz XYYHVUYVBCGOQZ-UONOGXRCSA-N 1 0 322.449 3.512 20 10 DHCDRO CSC(C)(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986732 1033196755 /nfs/dbraw/zinc/19/67/55/1033196755.db2.gz JVLCRXMUGXDGGP-OAHLLOKOSA-N 1 0 322.518 3.706 20 10 DHCDRO Cc1ccc(C[NH+](C)C)cc1NCc1cc(F)cc(F)c1O ZINC000883069214 1024229444 /nfs/dbraw/zinc/22/94/44/1024229444.db2.gz ZGJSWWYMKJQTGC-UHFFFAOYSA-N 1 0 306.356 3.653 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000131003269 1024245514 /nfs/dbraw/zinc/24/55/14/1024245514.db2.gz PRWGOIHYRDLQNF-KSFYIVLOSA-N 1 0 324.534 3.512 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1 ZINC000876978637 1033196672 /nfs/dbraw/zinc/19/66/72/1033196672.db2.gz MQJPCJQGZWRIJD-OALUTQOASA-N 1 0 315.388 3.850 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1C(C)C ZINC000131067153 1024253856 /nfs/dbraw/zinc/25/38/56/1024253856.db2.gz SGCQIFFZNDCNQC-FUHWJXTLSA-N 1 0 321.486 3.530 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790416249 1024297933 /nfs/dbraw/zinc/29/79/33/1024297933.db2.gz OSCKWQUITHEBMF-MRXNPFEDSA-N 1 0 321.461 3.642 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790499491 1024307559 /nfs/dbraw/zinc/30/75/59/1024307559.db2.gz XJWYOZLQAOKSLQ-CRAIPNDOSA-N 1 0 303.494 3.524 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)cc1C ZINC000314856910 1024386831 /nfs/dbraw/zinc/38/68/31/1024386831.db2.gz DAGSWWADEAYDCK-HNAYVOBHSA-N 1 0 304.478 3.604 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1C ZINC000314856908 1024388407 /nfs/dbraw/zinc/38/84/07/1024388407.db2.gz DAGSWWADEAYDCK-DNVCBOLYSA-N 1 0 304.478 3.604 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000883352680 1024396726 /nfs/dbraw/zinc/39/67/26/1024396726.db2.gz GHWGTHDTNHYOGM-MYZSUADSSA-N 1 0 307.409 3.874 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)ccc1OC ZINC000883352882 1024396810 /nfs/dbraw/zinc/39/68/10/1024396810.db2.gz JURWFDGCWPHEIU-SJLPKXTDSA-N 1 0 321.461 3.527 20 10 DHCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000883354015 1024399025 /nfs/dbraw/zinc/39/90/25/1024399025.db2.gz IZVAOYFMTUZBMD-RJGJNRFASA-N 1 0 302.462 3.561 20 10 DHCDRO C[NH+](C)CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000790966514 1024408805 /nfs/dbraw/zinc/40/88/05/1024408805.db2.gz VHLBJXYHMMDRKA-CQSZACIVSA-N 1 0 316.848 3.641 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2O ZINC000883381234 1024413248 /nfs/dbraw/zinc/41/32/48/1024413248.db2.gz JHYXXEFIORAZBB-BXUZGUMPSA-N 1 0 305.393 3.628 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883382220 1024414971 /nfs/dbraw/zinc/41/49/71/1024414971.db2.gz BRHQARAKWBTGQW-DOTOQJQBSA-N 1 0 301.361 3.516 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392022 1024425695 /nfs/dbraw/zinc/42/56/95/1024425695.db2.gz YKEQPSMXFPGHDL-UHFFFAOYSA-N 1 0 314.473 3.726 20 10 DHCDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000777122031 1033210790 /nfs/dbraw/zinc/21/07/90/1033210790.db2.gz RJAJHHUUXRQBPD-INIZCTEOSA-N 1 0 302.462 3.897 20 10 DHCDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000877024914 1033211135 /nfs/dbraw/zinc/21/11/35/1033211135.db2.gz SIFBQVGYIJLTJZ-UHFFFAOYSA-N 1 0 316.489 3.828 20 10 DHCDRO Oc1cc2c(cc1C[N@H+](Cc1ccco1)C1CCCC1)OCO2 ZINC000132204029 1024461825 /nfs/dbraw/zinc/46/18/25/1024461825.db2.gz XYUYYWSUFCBOBN-UHFFFAOYSA-N 1 0 315.369 3.659 20 10 DHCDRO CC(C)n1cc([C@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000132297680 1024468445 /nfs/dbraw/zinc/46/84/45/1024468445.db2.gz GITDDPBHIGTYAP-LBPRGKRZSA-N 1 0 310.492 3.754 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791475426 1024508567 /nfs/dbraw/zinc/50/85/67/1024508567.db2.gz OVDUKDOULMXKLD-HXUWFJFHSA-N 1 0 321.420 3.581 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3occc32)c(O)c1 ZINC000101591830 1024516611 /nfs/dbraw/zinc/51/66/11/1024516611.db2.gz CEJCBWRGNIRFRZ-INIZCTEOSA-N 1 0 301.386 3.941 20 10 DHCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000271515593 1024527855 /nfs/dbraw/zinc/52/78/55/1024527855.db2.gz UAGCGJVUVBVBJT-IRXDYDNUSA-N 1 0 312.461 3.613 20 10 DHCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000271604008 1024550746 /nfs/dbraw/zinc/55/07/46/1024550746.db2.gz YXMJWBQWYNKUKJ-KUHUBIRLSA-N 1 0 315.413 3.575 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000760160449 1024679190 /nfs/dbraw/zinc/67/91/90/1024679190.db2.gz RVXODUIGFUCMRJ-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO CC[C@@H]([NH2+]CCCCF)c1cc(Br)ccc1O ZINC000310213140 1024785621 /nfs/dbraw/zinc/78/56/21/1024785621.db2.gz DPTMZVQJBVYDPS-GFCCVEGCSA-N 1 0 304.203 3.945 20 10 DHCDRO Oc1cccc(Br)c1CN1CC(CC(F)(F)F)C1 ZINC000862389160 1024789887 /nfs/dbraw/zinc/78/98/87/1024789887.db2.gz GTLSUJHORUQSCJ-UHFFFAOYSA-N 1 0 324.140 3.539 20 10 DHCDRO c1cc(CNC2CC[NH+](C3CCCCC3)CC2)cc2c1OCC2 ZINC000747100875 1024869108 /nfs/dbraw/zinc/86/91/08/1024869108.db2.gz WZBFJVGLLCPICW-UHFFFAOYSA-N 1 0 314.473 3.508 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccncc2)c(C(F)(F)F)c1 ZINC000793076252 1024878724 /nfs/dbraw/zinc/87/87/24/1024878724.db2.gz MZPUPBLGFMSMGC-UHFFFAOYSA-N 1 0 323.362 3.798 20 10 DHCDRO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000747100150 1024885322 /nfs/dbraw/zinc/88/53/22/1024885322.db2.gz ATBZFDDEIGVCHB-MRXNPFEDSA-N 1 0 302.462 3.582 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC000321431478 1024893678 /nfs/dbraw/zinc/89/36/78/1024893678.db2.gz LTJUELUORYQVEE-OAHLLOKOSA-N 1 0 313.372 3.723 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000793230080 1024942648 /nfs/dbraw/zinc/94/26/48/1024942648.db2.gz DXPOFWQOCXJKTC-GXFFZTMASA-N 1 0 303.324 3.564 20 10 DHCDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1O ZINC000793233877 1024948288 /nfs/dbraw/zinc/94/82/88/1024948288.db2.gz WCFPUOGWJLSKCG-IBGZPJMESA-N 1 0 313.441 3.828 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000793235293 1024950923 /nfs/dbraw/zinc/95/09/23/1024950923.db2.gz FREIZOXKHOLWBV-VQTJNVASSA-N 1 0 312.457 3.745 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC000793267616 1024967560 /nfs/dbraw/zinc/96/75/60/1024967560.db2.gz CVCSHRXWFWPTAE-RHSMWYFYSA-N 1 0 315.388 3.966 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000793355277 1024998770 /nfs/dbraw/zinc/99/87/70/1024998770.db2.gz BWAIZSSQLMGSER-INIZCTEOSA-N 1 0 320.452 3.673 20 10 DHCDRO CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793387243 1025029711 /nfs/dbraw/zinc/02/97/11/1025029711.db2.gz AZJJVSBUDUNJKT-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)CCCC4)C[C@H]1C2(F)F ZINC000793517215 1025068522 /nfs/dbraw/zinc/06/85/22/1025068522.db2.gz FIWHCEJRASWKRX-SJORKVTESA-N 1 0 307.384 3.748 20 10 DHCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000793564187 1025104674 /nfs/dbraw/zinc/10/46/74/1025104674.db2.gz JRPUOGIMTPMMPQ-OAHLLOKOSA-N 1 0 320.452 3.772 20 10 DHCDRO CC[C@H](CO)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000302222122 1033274771 /nfs/dbraw/zinc/27/47/71/1033274771.db2.gz MMODTPMGQBLXGE-LJQANCHMSA-N 1 0 312.457 3.574 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885940674 1025412967 /nfs/dbraw/zinc/41/29/67/1025412967.db2.gz OWEZCRFPMYDJHP-ICSRJNTNSA-N 1 0 314.473 3.535 20 10 DHCDRO CO[C@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)CC1 ZINC000885992137 1025431658 /nfs/dbraw/zinc/43/16/58/1025431658.db2.gz AVGOOKGJAQKWLP-OLZOCXBDSA-N 1 0 300.493 3.563 20 10 DHCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1C ZINC001203429094 1025787444 /nfs/dbraw/zinc/78/74/44/1025787444.db2.gz WBSJNQQOPILVSD-GOSISDBHSA-N 1 0 305.462 3.815 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000806172151 1025798394 /nfs/dbraw/zinc/79/83/94/1025798394.db2.gz GRMWZBGATQLALW-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000691527935 1025807148 /nfs/dbraw/zinc/80/71/48/1025807148.db2.gz VNYUFNPOMPMKNN-SFHVURJKSA-N 1 0 324.468 3.566 20 10 DHCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806169104 1025825384 /nfs/dbraw/zinc/82/53/84/1025825384.db2.gz IGQRCWAEGNLXPZ-AEFFLSMTSA-N 1 0 304.478 3.592 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000729685910 1026030051 /nfs/dbraw/zinc/03/00/51/1026030051.db2.gz VLIVVTTYNTYMAI-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746300 1026033800 /nfs/dbraw/zinc/03/38/00/1026033800.db2.gz XUVROCXAAGXUQT-CYBMUJFWSA-N 1 0 310.869 3.817 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245711977 1026151933 /nfs/dbraw/zinc/15/19/33/1026151933.db2.gz GDUHADOYZBSRBI-ICSRJNTNSA-N 1 0 314.473 3.678 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000290002526 1026275158 /nfs/dbraw/zinc/27/51/58/1026275158.db2.gz ZGTJZACMTGJANR-FZKQIMNGSA-N 1 0 317.454 3.901 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C ZINC000808437272 1026286576 /nfs/dbraw/zinc/28/65/76/1026286576.db2.gz KMPWSZVNVYIUPR-FXAWDEMLSA-N 1 0 324.468 3.762 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000808451484 1026292420 /nfs/dbraw/zinc/29/24/20/1026292420.db2.gz QEOUPSQTWXFEOT-KRWDZBQOSA-N 1 0 310.441 3.799 20 10 DHCDRO COCC(C)(C)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808428764 1026298829 /nfs/dbraw/zinc/29/88/29/1026298829.db2.gz OODUAFWLTNZPHE-UHFFFAOYSA-N 1 0 303.805 3.727 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000237079015 1026304662 /nfs/dbraw/zinc/30/46/62/1026304662.db2.gz CSEVONUDGSJASR-UHFFFAOYSA-N 1 0 324.380 3.736 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000178853576 1026324300 /nfs/dbraw/zinc/32/43/00/1026324300.db2.gz DGHDJIBGWZOXHK-UHFFFAOYSA-N 1 0 300.358 3.549 20 10 DHCDRO CC(C)(C)c1cc(O)c(CN2CCCC[C@H]2C[NH3+])cc1Cl ZINC001204933508 1026348559 /nfs/dbraw/zinc/34/85/59/1026348559.db2.gz VBERCOUCPUZPQK-ZDUSSCGKSA-N 1 0 310.869 3.656 20 10 DHCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808688907 1026349326 /nfs/dbraw/zinc/34/93/26/1026349326.db2.gz WYZVDAPJCGRNAO-JTQLQIEISA-N 1 0 307.825 3.555 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808675698 1026352910 /nfs/dbraw/zinc/35/29/10/1026352910.db2.gz PTNJVTIXWSUHQB-LBPRGKRZSA-N 1 0 320.820 3.999 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c1O ZINC000808672156 1026353575 /nfs/dbraw/zinc/35/35/75/1026353575.db2.gz FJYRLOXRLLNOJE-LRDDRELGSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000808707086 1026357299 /nfs/dbraw/zinc/35/72/99/1026357299.db2.gz ZZCUTRSCDJDZNA-QMTHXVAHSA-N 1 0 305.809 3.805 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cncc(OC)c2)cc1 ZINC000808705910 1026358539 /nfs/dbraw/zinc/35/85/39/1026358539.db2.gz BATUJFYPARFTCZ-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1O ZINC000808707007 1026358597 /nfs/dbraw/zinc/35/85/97/1026358597.db2.gz YQNIZRDWSAKZQA-LRDDRELGSA-N 1 0 311.853 3.946 20 10 DHCDRO Cc1cccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000808717355 1026364617 /nfs/dbraw/zinc/36/46/17/1026364617.db2.gz CQXNUCNIAMBAMH-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000808702487 1026375419 /nfs/dbraw/zinc/37/54/19/1026375419.db2.gz XOCALRACENXIMB-OBJOEFQTSA-N 1 0 308.853 3.630 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000808702408 1026375868 /nfs/dbraw/zinc/37/58/68/1026375868.db2.gz GXSYOZCLKLYLHE-ZCDTZLGTSA-N 1 0 309.837 3.962 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2c(F)cccc2Cl)c1O ZINC000894209914 1026419034 /nfs/dbraw/zinc/41/90/34/1026419034.db2.gz AITLVLPZYVINFI-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(C)cc1O ZINC000279997912 1026570903 /nfs/dbraw/zinc/57/09/03/1026570903.db2.gz FRSMGNXRPXWDOA-WMLDXEAASA-N 1 0 301.434 3.583 20 10 DHCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700203 1026586841 /nfs/dbraw/zinc/58/68/41/1026586841.db2.gz ACNVTONEKXUGKH-RYUDHWBXSA-N 1 0 315.816 3.700 20 10 DHCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809702934 1026599692 /nfs/dbraw/zinc/59/96/92/1026599692.db2.gz KQAOZNGMESEDCY-IINYFYTJSA-N 1 0 318.408 3.613 20 10 DHCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000809704257 1026600098 /nfs/dbraw/zinc/60/00/98/1026600098.db2.gz XNVUKBJSMQKDDY-UHFFFAOYSA-N 1 0 303.789 3.749 20 10 DHCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000809766978 1026606367 /nfs/dbraw/zinc/60/63/67/1026606367.db2.gz CTFBHLKHHQHSHH-LBPRGKRZSA-N 1 0 303.855 3.628 20 10 DHCDRO COc1cccc(C[NH2+]CCCc2c(F)cccc2Cl)c1O ZINC000809740150 1026610756 /nfs/dbraw/zinc/61/07/56/1026610756.db2.gz NBZIFXXJGKORDN-UHFFFAOYSA-N 1 0 323.795 3.916 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc(F)cc2F)c1O ZINC000809739891 1026611585 /nfs/dbraw/zinc/61/15/85/1026611585.db2.gz GBHUYNXFLOYORF-GFCCVEGCSA-N 1 0 321.367 3.790 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233240 1026618242 /nfs/dbraw/zinc/61/82/42/1026618242.db2.gz VJKQBTDPXAJNEY-OCCSQVGLSA-N 1 0 302.422 3.744 20 10 DHCDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809765520 1026619712 /nfs/dbraw/zinc/61/97/12/1026619712.db2.gz NSEGANLEUGTAJA-OXJNMPFZSA-N 1 0 324.468 3.831 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000809763743 1026619889 /nfs/dbraw/zinc/61/98/89/1026619889.db2.gz QOBQYAUYOBBDJH-UHFFFAOYSA-N 1 0 302.805 3.914 20 10 DHCDRO CCCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000809764676 1026620209 /nfs/dbraw/zinc/62/02/09/1026620209.db2.gz GPXBJCQGESIGSI-OAHLLOKOSA-N 1 0 307.434 3.858 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1cccnc1 ZINC000809765318 1026620467 /nfs/dbraw/zinc/62/04/67/1026620467.db2.gz MQIYIUUUNVYKIR-AWEZNQCLSA-N 1 0 301.409 3.870 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000809763799 1026620601 /nfs/dbraw/zinc/62/06/01/1026620601.db2.gz RKXFKSPSMODISK-UHFFFAOYSA-N 1 0 302.805 3.914 20 10 DHCDRO Cc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000809935904 1026641399 /nfs/dbraw/zinc/64/13/99/1026641399.db2.gz ODGUJNBCWIIATF-UHFFFAOYSA-N 1 0 301.434 3.768 20 10 DHCDRO CCCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000768241637 1026683832 /nfs/dbraw/zinc/68/38/32/1026683832.db2.gz ZTPWHRHUDWTFRE-UHFFFAOYSA-N 1 0 304.478 3.661 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810213533 1026707797 /nfs/dbraw/zinc/70/77/97/1026707797.db2.gz USEMPLHMTOFFLS-JSGCOSHPSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810215458 1026709545 /nfs/dbraw/zinc/70/95/45/1026709545.db2.gz FVFCYDKGSDJBHZ-GXFFZTMASA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810218933 1026709979 /nfs/dbraw/zinc/70/99/79/1026709979.db2.gz MAWXEOIHDSLGOQ-ZDUSSCGKSA-N 1 0 313.323 3.683 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1O ZINC000810215605 1026710192 /nfs/dbraw/zinc/71/01/92/1026710192.db2.gz HXSYCTBGUCNZHP-ZDUSSCGKSA-N 1 0 314.307 3.948 20 10 DHCDRO CCOCCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810207218 1026718546 /nfs/dbraw/zinc/71/85/46/1026718546.db2.gz GADFKRDHFQRVTI-ZDUSSCGKSA-N 1 0 305.340 3.878 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810210800 1026719213 /nfs/dbraw/zinc/71/92/13/1026719213.db2.gz DVXQVJVXCTUTTJ-RISCZKNCSA-N 1 0 317.351 3.878 20 10 DHCDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000810260042 1026720674 /nfs/dbraw/zinc/72/06/74/1026720674.db2.gz CHVLRRBIFXTXIC-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238206 1026725706 /nfs/dbraw/zinc/72/57/06/1026725706.db2.gz OFDBFBRTSDNVLF-LEWSCRJBSA-N 1 0 317.351 3.877 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1 ZINC000271855765 1027165416 /nfs/dbraw/zinc/16/54/16/1027165416.db2.gz JGCDUDSWPMLYLW-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1C ZINC001170668392 1027213604 /nfs/dbraw/zinc/21/36/04/1027213604.db2.gz HKYBYSQCAYCBOP-MRXNPFEDSA-N 1 0 317.379 3.929 20 10 DHCDRO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@H](C)OC ZINC000812303629 1027239981 /nfs/dbraw/zinc/23/99/81/1027239981.db2.gz QSNANJDTQDVIBZ-ZDUSSCGKSA-N 1 0 309.450 3.555 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894269428 1027246126 /nfs/dbraw/zinc/24/61/26/1027246126.db2.gz NIEDRKNOMMRYIC-KRWDZBQOSA-N 1 0 320.458 3.889 20 10 DHCDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Cl)ccc1O ZINC000812736975 1027381736 /nfs/dbraw/zinc/38/17/36/1027381736.db2.gz KUSPYUKRVDXSHO-NSHDSACASA-N 1 0 319.836 3.509 20 10 DHCDRO CO[C@@](C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000812772425 1027397307 /nfs/dbraw/zinc/39/73/07/1027397307.db2.gz DPODVAARKSIIGS-FQEVSTJZSA-N 1 0 311.425 3.964 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000812840010 1027439568 /nfs/dbraw/zinc/43/95/68/1027439568.db2.gz FHERIZOHDBNQJE-XUVXKRRUSA-N 1 0 316.489 3.658 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854098 1027452470 /nfs/dbraw/zinc/45/24/70/1027452470.db2.gz VJUWEMPMEWVSBV-JXFKEZNVSA-N 1 0 312.457 3.697 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CC2 ZINC000295917592 1027491338 /nfs/dbraw/zinc/49/13/38/1027491338.db2.gz JPLRRMZKJHTJPV-QGZVFWFLSA-N 1 0 323.440 3.555 20 10 DHCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000747832509 1027495857 /nfs/dbraw/zinc/49/58/57/1027495857.db2.gz NQNCKWNHPGGBAL-UHFFFAOYSA-N 1 0 319.445 3.564 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000813332073 1027608729 /nfs/dbraw/zinc/60/87/29/1027608729.db2.gz ZOJKSBFHNSWBFE-SECBINFHSA-N 1 0 311.303 3.669 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000813331777 1027609219 /nfs/dbraw/zinc/60/92/19/1027609219.db2.gz USNNRPNFEBXRHF-OWNNVSBGSA-N 1 0 313.397 3.773 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCc3ccccc32)c1 ZINC000319757190 1027609574 /nfs/dbraw/zinc/60/95/74/1027609574.db2.gz VKNLZRPCHABJAC-INIZCTEOSA-N 1 0 310.441 3.804 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c(O)c1 ZINC000296576513 1027674555 /nfs/dbraw/zinc/67/45/55/1027674555.db2.gz TZQFKQLATOOAGS-ZSZQSSIHSA-N 1 0 312.413 3.667 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)C(C)C)cc2)CC1 ZINC000296662450 1027702596 /nfs/dbraw/zinc/70/25/96/1027702596.db2.gz YNXJJNHYSDGGLD-INIZCTEOSA-N 1 0 304.478 3.778 20 10 DHCDRO COCC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000813790302 1027714243 /nfs/dbraw/zinc/71/42/43/1027714243.db2.gz MCBWUJGBSKEFMG-UHFFFAOYSA-N 1 0 318.383 3.534 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1O ZINC000778989311 1027723954 /nfs/dbraw/zinc/72/39/54/1027723954.db2.gz UWDQCIDJMDHPGH-UHFFFAOYSA-N 1 0 302.393 3.619 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000159129522 1027731959 /nfs/dbraw/zinc/73/19/59/1027731959.db2.gz UIGZMFDFYJRLGT-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000778996876 1027740179 /nfs/dbraw/zinc/74/01/79/1027740179.db2.gz UYTZBWACOZJKDV-AEFFLSMTSA-N 1 0 304.478 3.778 20 10 DHCDRO Cc1ccc(OC2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000778996955 1027740761 /nfs/dbraw/zinc/74/07/61/1027740761.db2.gz XKTGXCCHBMYBRC-UHFFFAOYSA-N 1 0 315.388 3.883 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000778996877 1027741700 /nfs/dbraw/zinc/74/17/00/1027741700.db2.gz UYTZBWACOZJKDV-FUHWJXTLSA-N 1 0 304.478 3.778 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000296819170 1027742678 /nfs/dbraw/zinc/74/26/78/1027742678.db2.gz QULBXZUOJJAOFO-HDICACEKSA-N 1 0 314.473 3.534 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+](C)C ZINC000813877311 1027748376 /nfs/dbraw/zinc/74/83/76/1027748376.db2.gz RNHBWUDSOFSEFW-UWVGGRQHSA-N 1 0 305.249 3.547 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000779002753 1027750687 /nfs/dbraw/zinc/75/06/87/1027750687.db2.gz NUQBYWDSJGHHKI-MJGOQNOKSA-N 1 0 315.388 3.619 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001453 1027751946 /nfs/dbraw/zinc/75/19/46/1027751946.db2.gz DZVRXESVPUHIBI-UYAOXDASSA-N 1 0 311.425 3.992 20 10 DHCDRO CCc1nc([C@@H]2CCC[N@@H+]([C@@H](CC)c3ccccc3O)C2)no1 ZINC000364624508 1027858866 /nfs/dbraw/zinc/85/88/66/1027858866.db2.gz SYFKONWGEGQECP-HIFRSBDPSA-N 1 0 315.417 3.668 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000814172459 1027911807 /nfs/dbraw/zinc/91/18/07/1027911807.db2.gz OINIRUVXMCNFPA-UHFFFAOYSA-N 1 0 310.235 3.777 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000527946280 1027980537 /nfs/dbraw/zinc/98/05/37/1027980537.db2.gz HMNNARITWPBUNS-WBVHZDCISA-N 1 0 302.462 3.758 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000814301586 1028003380 /nfs/dbraw/zinc/00/33/80/1028003380.db2.gz XWEYKJAWVQVQQC-CZIWCDLHSA-N 1 0 315.388 3.966 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001097 1028027576 /nfs/dbraw/zinc/02/75/76/1028027576.db2.gz KZZUDHQNXNVADH-WBVHZDCISA-N 1 0 302.462 3.677 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1O ZINC000528007322 1028035802 /nfs/dbraw/zinc/03/58/02/1028035802.db2.gz ZCSSLJZMFDYFAQ-ROUUACIJSA-N 1 0 324.424 3.568 20 10 DHCDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000008186368 1028051619 /nfs/dbraw/zinc/05/16/19/1028051619.db2.gz MDVFXMFDOASGIT-ZDUSSCGKSA-N 1 0 317.410 3.692 20 10 DHCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+][C@@H](C)c1ccccc1O ZINC000366496676 1028088141 /nfs/dbraw/zinc/08/81/41/1028088141.db2.gz YJPZUEMBVCZQNE-AAEUAGOBSA-N 1 0 302.443 3.928 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366544074 1028098102 /nfs/dbraw/zinc/09/81/02/1028098102.db2.gz KNYCBRCAZHLMCY-FZKQIMNGSA-N 1 0 312.413 3.940 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1C ZINC000779083363 1028202618 /nfs/dbraw/zinc/20/26/18/1028202618.db2.gz LBOFDBBOAPKSGU-JXFKEZNVSA-N 1 0 313.441 3.957 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000367574736 1028207685 /nfs/dbraw/zinc/20/76/85/1028207685.db2.gz IVSJGZZWEMSXLH-FHGNATFXSA-N 1 0 317.360 3.713 20 10 DHCDRO CCc1noc(C)c1C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368035083 1028282570 /nfs/dbraw/zinc/28/25/70/1028282570.db2.gz LUJZGLSISYIOIZ-UHFFFAOYSA-N 1 0 311.429 3.511 20 10 DHCDRO CN(C)c1ccc(C2=CCN(Cc3ncc(C4CC4)o3)C2)cc1 ZINC000368040587 1028288961 /nfs/dbraw/zinc/28/89/61/1028288961.db2.gz ZAQYXIBHAGMRHJ-UHFFFAOYSA-N 1 0 309.413 3.517 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000368325855 1028336440 /nfs/dbraw/zinc/33/64/40/1028336440.db2.gz CUODSXNLSOABJC-BBRMVZONSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1cc(C[NH+]2CCC(Cc3cccnc3)CC2)ccc1N(C)C ZINC000815078497 1028352029 /nfs/dbraw/zinc/35/20/29/1028352029.db2.gz AKEKZZZHUKHHJY-UHFFFAOYSA-N 1 0 323.484 3.911 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1N(C)C ZINC000815112397 1028359259 /nfs/dbraw/zinc/35/92/59/1028359259.db2.gz PXXJOLANCHRAAA-CTNGQTDRSA-N 1 0 323.484 3.596 20 10 DHCDRO Cc1sccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815119137 1028367329 /nfs/dbraw/zinc/36/73/29/1028367329.db2.gz QCODCSRYOONHTR-CQSZACIVSA-N 1 0 316.470 3.744 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2(OC)CCC2)cc1F ZINC000815145796 1028398297 /nfs/dbraw/zinc/39/82/97/1028398297.db2.gz FEVIQZDHNWEHSV-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815142156 1028398315 /nfs/dbraw/zinc/39/83/15/1028398315.db2.gz OFKZVJYLURTGGX-UHFFFAOYSA-N 1 0 307.340 3.802 20 10 DHCDRO CCOCc1cc(C[NH2+]CC2(OCC)CCCC2)ccc1OC ZINC000815149088 1028401303 /nfs/dbraw/zinc/40/13/03/1028401303.db2.gz YYMGTQCIEULNEC-UHFFFAOYSA-N 1 0 321.461 3.671 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2(COC)CCC2)cc1F ZINC000815148209 1028402904 /nfs/dbraw/zinc/40/29/04/1028402904.db2.gz OLYVAJZJIKHBLP-UHFFFAOYSA-N 1 0 322.468 3.968 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cncc(F)c2)cc1 ZINC000779147916 1028431835 /nfs/dbraw/zinc/43/18/35/1028431835.db2.gz RLCWSKPBPCKSFB-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1OC ZINC000160134858 1028462778 /nfs/dbraw/zinc/46/27/78/1028462778.db2.gz UKRZLRKLWHCDDI-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000188857246 1028534449 /nfs/dbraw/zinc/53/44/49/1028534449.db2.gz YJQLRGZMQZPNPL-IEBWSBKVSA-N 1 0 304.478 3.564 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1c(F)cccc1F ZINC000075829126 1028539071 /nfs/dbraw/zinc/53/90/71/1028539071.db2.gz RHMXYRIZYKKHAB-QGZVFWFLSA-N 1 0 321.367 3.616 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c(O)c1 ZINC000815557773 1028542370 /nfs/dbraw/zinc/54/23/70/1028542370.db2.gz DDBKHWXFTIGHJO-SJORKVTESA-N 1 0 304.478 3.780 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815578921 1028551741 /nfs/dbraw/zinc/55/17/41/1028551741.db2.gz ABFVUTAZPPZOPM-PKOBYXMFSA-N 1 0 313.441 3.817 20 10 DHCDRO CC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577463 1028551995 /nfs/dbraw/zinc/55/19/95/1028551995.db2.gz QVMNSCKOXNGSRG-AZUAARDMSA-N 1 0 313.441 3.817 20 10 DHCDRO CC(C)[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815580576 1028554210 /nfs/dbraw/zinc/55/42/10/1028554210.db2.gz MRMGHWZHVNZWDG-UYAOXDASSA-N 1 0 313.441 3.673 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815589412 1028559111 /nfs/dbraw/zinc/55/91/11/1028559111.db2.gz RLDYFLLTSICANP-PKOBYXMFSA-N 1 0 313.441 3.817 20 10 DHCDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815601594 1028559969 /nfs/dbraw/zinc/55/99/69/1028559969.db2.gz ZNFZCDKVZGWHCO-OAHLLOKOSA-N 1 0 315.461 3.643 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1cccn1 ZINC000815591141 1028560078 /nfs/dbraw/zinc/56/00/78/1028560078.db2.gz YJOQBVRQTHAGFU-IBGZPJMESA-N 1 0 321.424 3.552 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000815617536 1028571289 /nfs/dbraw/zinc/57/12/89/1028571289.db2.gz PHZFZPJQSRUTLV-KGLIPLIRSA-N 1 0 322.449 3.573 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c(O)c1 ZINC000815616899 1028572960 /nfs/dbraw/zinc/57/29/60/1028572960.db2.gz AWDYSUXBRUZBAM-JVPBZIDWSA-N 1 0 303.446 3.865 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccc3)C2)cc1 ZINC000076360802 1028588574 /nfs/dbraw/zinc/58/85/74/1028588574.db2.gz CYRKHMSVYZUNIF-IRXDYDNUSA-N 1 0 310.441 3.872 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c(O)c1 ZINC000815648077 1028591425 /nfs/dbraw/zinc/59/14/25/1028591425.db2.gz DCEHXJZEGNQZCS-WBVHZDCISA-N 1 0 305.462 3.848 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)c2c1c(F)ccc2O ZINC000815648524 1028591579 /nfs/dbraw/zinc/59/15/79/1028591579.db2.gz PLNXUDDVRPFVCK-XNRPHZJLSA-N 1 0 321.436 3.858 20 10 DHCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000815651148 1028595030 /nfs/dbraw/zinc/59/50/30/1028595030.db2.gz LKMHKSJIIXAPIX-IFXJQAMLSA-N 1 0 320.452 3.892 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)c3cccs3)CC2)c1 ZINC000371421377 1028709484 /nfs/dbraw/zinc/70/94/84/1028709484.db2.gz RVFDWPKMYIDRSS-UHFFFAOYSA-N 1 0 315.438 3.857 20 10 DHCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000371869746 1028771454 /nfs/dbraw/zinc/77/14/54/1028771454.db2.gz KEOUWNQXRLDQCK-CXAGYDPISA-N 1 0 313.397 3.884 20 10 DHCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000077468310 1028889677 /nfs/dbraw/zinc/88/96/77/1028889677.db2.gz VTNCJUHUAXTHRF-OAQYLSRUSA-N 1 0 324.468 3.890 20 10 DHCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816494403 1028897555 /nfs/dbraw/zinc/89/75/55/1028897555.db2.gz JWQQYALKTMEKDE-MRXNPFEDSA-N 1 0 321.424 3.659 20 10 DHCDRO C[C@@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ccccc1O ZINC000372927004 1028924905 /nfs/dbraw/zinc/92/49/05/1028924905.db2.gz KHZKTXAZLZXQEW-KBPBESRZSA-N 1 0 323.396 3.724 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816537730 1028927493 /nfs/dbraw/zinc/92/74/93/1028927493.db2.gz PTYXIWVHNKUDKH-IBGZPJMESA-N 1 0 307.393 3.677 20 10 DHCDRO CN(C)c1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816548125 1028928463 /nfs/dbraw/zinc/92/84/63/1028928463.db2.gz VWTRXFBQRIIYDJ-UHFFFAOYSA-N 1 0 306.409 3.901 20 10 DHCDRO Oc1ccc(CCC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816550720 1028931962 /nfs/dbraw/zinc/93/19/62/1028931962.db2.gz ZTGTXGKEPJVFDU-UHFFFAOYSA-N 1 0 307.393 3.973 20 10 DHCDRO Oc1c(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816586144 1028935196 /nfs/dbraw/zinc/93/51/96/1028935196.db2.gz BARKJWKBFVTLIW-LJQANCHMSA-N 1 0 311.425 3.936 20 10 DHCDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc2c(cc1O)OCO2 ZINC000190390269 1028939973 /nfs/dbraw/zinc/93/99/73/1028939973.db2.gz VOEAOVCFFBBICW-UHFFFAOYSA-N 1 0 324.380 3.624 20 10 DHCDRO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816561308 1028944750 /nfs/dbraw/zinc/94/47/50/1028944750.db2.gz SLSHARYZYYOXEL-LBPRGKRZSA-N 1 0 316.848 3.785 20 10 DHCDRO Oc1c(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816568091 1028947516 /nfs/dbraw/zinc/94/75/16/1028947516.db2.gz WPWDVPFVQBDETR-GOSISDBHSA-N 1 0 311.425 3.794 20 10 DHCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)[C@H]1[C@H]1CCCO1 ZINC000816614084 1028962456 /nfs/dbraw/zinc/96/24/56/1028962456.db2.gz MIFPCLDBJVDPMG-MJGOQNOKSA-N 1 0 311.425 3.935 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000816642593 1028969481 /nfs/dbraw/zinc/96/94/81/1028969481.db2.gz DYSZZHWLOJBZBZ-HNNXBMFYSA-N 1 0 317.351 3.632 20 10 DHCDRO [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COc2cccc(F)c21 ZINC000373620994 1029096278 /nfs/dbraw/zinc/09/62/78/1029096278.db2.gz ARMBDJAVMDXGPE-LLVKDONJSA-N 1 0 311.715 3.547 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413886 1029151958 /nfs/dbraw/zinc/15/19/58/1029151958.db2.gz CIJNRCAIVUMORG-UHFFFAOYSA-N 1 0 311.425 3.844 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817410438 1029152336 /nfs/dbraw/zinc/15/23/36/1029152336.db2.gz MJKNOYAUTLMDRZ-INIZCTEOSA-N 1 0 304.503 3.684 20 10 DHCDRO CC[C@H]([NH2+]CC(CC)(CC)CCO)c1ccc(N(C)C)cc1 ZINC000155355672 1029227404 /nfs/dbraw/zinc/22/74/04/1029227404.db2.gz CPLUDUMJPIGBBJ-SFHVURJKSA-N 1 0 306.494 3.982 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817934792 1029277972 /nfs/dbraw/zinc/27/79/72/1029277972.db2.gz PGJKFTNIYQMKRX-JHVJFLLYSA-N 1 0 323.484 3.726 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817938781 1029279850 /nfs/dbraw/zinc/27/98/50/1029279850.db2.gz SIIWKQFJUXCEKF-BXUZGUMPSA-N 1 0 323.893 3.818 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000817938629 1029282569 /nfs/dbraw/zinc/28/25/69/1029282569.db2.gz OPXQOPVOYHPBRW-QVKFZJNVSA-N 1 0 323.484 3.592 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817939501 1029282608 /nfs/dbraw/zinc/28/26/08/1029282608.db2.gz BXAWYCGDTJCNOE-JSNMRZPZSA-N 1 0 309.457 3.591 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000817938050 1029284158 /nfs/dbraw/zinc/28/41/58/1029284158.db2.gz CKTWTVSTCDOSLU-OXJNMPFZSA-N 1 0 311.473 3.720 20 10 DHCDRO CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942765 1029285227 /nfs/dbraw/zinc/28/52/27/1029285227.db2.gz DQAQHCTURDWERZ-GFCCVEGCSA-N 1 0 305.249 3.739 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945484 1029288423 /nfs/dbraw/zinc/28/84/23/1029288423.db2.gz DRWCCNKLWUYCLH-ZWNOBZJWSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817948381 1029290837 /nfs/dbraw/zinc/29/08/37/1029290837.db2.gz ZDQKPSIZNFFYRF-GARJFASQSA-N 1 0 317.260 3.738 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817948380 1029292275 /nfs/dbraw/zinc/29/22/75/1029292275.db2.gz ZDQKPSIZNFFYRF-DCAQKATOSA-N 1 0 317.260 3.738 20 10 DHCDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951938 1029292944 /nfs/dbraw/zinc/29/29/44/1029292944.db2.gz BQGKLYUTBFJOPV-SNVBAGLBSA-N 1 0 305.249 3.738 20 10 DHCDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955832 1029294056 /nfs/dbraw/zinc/29/40/56/1029294056.db2.gz ISRAGCFHXWWSOT-OAHLLOKOSA-N 1 0 320.440 3.656 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(Br)c1 ZINC000817955412 1029294188 /nfs/dbraw/zinc/29/41/88/1029294188.db2.gz AEQTZMLWBDDRRA-GFCCVEGCSA-N 1 0 319.246 3.925 20 10 DHCDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000817952276 1029294965 /nfs/dbraw/zinc/29/49/65/1029294965.db2.gz DGVBHLFYZITFNF-QZTJIDSGSA-N 1 0 310.441 3.793 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000817956914 1029296678 /nfs/dbraw/zinc/29/66/78/1029296678.db2.gz FUGPUZNHIZKJSD-LJQANCHMSA-N 1 0 310.441 3.877 20 10 DHCDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817956336 1029297404 /nfs/dbraw/zinc/29/74/04/1029297404.db2.gz WPOATODPOMBXHX-IBGZPJMESA-N 1 0 310.441 3.932 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817966413 1029304966 /nfs/dbraw/zinc/30/49/66/1029304966.db2.gz NGWZLEPMHFMAGO-BMIGLBTASA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817968619 1029308938 /nfs/dbraw/zinc/30/89/38/1029308938.db2.gz UVIGGEXXKXBWDM-CQSZACIVSA-N 1 0 315.244 3.659 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976384 1029314611 /nfs/dbraw/zinc/31/46/11/1029314611.db2.gz KXSBHLCGUYARBT-ZJUUUORDSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817979398 1029318150 /nfs/dbraw/zinc/31/81/50/1029318150.db2.gz AQUGCAUMPXWXAI-WDEREUQCSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CCC3CC3)C2)cc1 ZINC000818341946 1029372258 /nfs/dbraw/zinc/37/22/58/1029372258.db2.gz JKDRSPONTSILFL-DOTOQJQBSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C(C)C)C3CC3)C2)cc1 ZINC000818342606 1029374312 /nfs/dbraw/zinc/37/43/12/1029374312.db2.gz SRDJFJOFPZLPIH-BEFAXECRSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC3(C)C)C2)cc1 ZINC000818345258 1029374899 /nfs/dbraw/zinc/37/48/99/1029374899.db2.gz SOHZNFWTVJCUNE-CRAIPNDOSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000320829302 1029427904 /nfs/dbraw/zinc/42/79/04/1029427904.db2.gz FXGPLWVRCXEHAC-IAQYHMDHSA-N 1 0 301.361 3.878 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290187394 1029938882 /nfs/dbraw/zinc/93/88/82/1029938882.db2.gz OHSHIMTUQMIFBP-HNNXBMFYSA-N 1 0 309.768 3.662 20 10 DHCDRO CC[C@@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000865659856 1029965411 /nfs/dbraw/zinc/96/54/11/1029965411.db2.gz GLSDCTSMGPGILN-GOSISDBHSA-N 1 0 317.360 3.675 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000120686647 1029979324 /nfs/dbraw/zinc/97/93/24/1029979324.db2.gz UOSUQCNUCBDMOW-GQIGUUNPSA-N 1 0 312.457 3.915 20 10 DHCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924646523 1030149790 /nfs/dbraw/zinc/14/97/90/1030149790.db2.gz BVMKNVUEIMSKDI-UYAOXDASSA-N 1 0 316.489 3.708 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000924648262 1030150410 /nfs/dbraw/zinc/15/04/10/1030150410.db2.gz LNORIDILLSWGBZ-MRXNPFEDSA-N 1 0 324.472 3.670 20 10 DHCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000924650426 1030151893 /nfs/dbraw/zinc/15/18/93/1030151893.db2.gz YDWCBJFCIHHNAS-OAHLLOKOSA-N 1 0 311.429 3.541 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccn2)cc1 ZINC000924711118 1030168072 /nfs/dbraw/zinc/16/80/72/1030168072.db2.gz QOWPVJZQKMUDPG-HNNXBMFYSA-N 1 0 313.445 3.787 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4ncccc43)ccc21 ZINC000866248888 1030178291 /nfs/dbraw/zinc/17/82/91/1030178291.db2.gz UAYCDXVLKIZFTF-LJQANCHMSA-N 1 0 307.441 3.631 20 10 DHCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000777541899 1030250633 /nfs/dbraw/zinc/25/06/33/1030250633.db2.gz SDOQWYRCJDEWLF-UHFFFAOYSA-N 1 0 304.478 3.660 20 10 DHCDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1cccc(OC)n1 ZINC000925104187 1030274843 /nfs/dbraw/zinc/27/48/43/1030274843.db2.gz WFMYBVKXHMCJJE-GFCCVEGCSA-N 1 0 323.487 3.770 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C ZINC000291011993 1030288211 /nfs/dbraw/zinc/28/82/11/1030288211.db2.gz WXKDBDPPGYYPJR-QZTJIDSGSA-N 1 0 301.430 3.543 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)CCCC2 ZINC000777547531 1030294753 /nfs/dbraw/zinc/29/47/53/1030294753.db2.gz CLPMQWGOFSAIAF-IBGZPJMESA-N 1 0 315.457 3.662 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1O ZINC000866477780 1030312699 /nfs/dbraw/zinc/31/26/99/1030312699.db2.gz BSFWYOSIGVAOOB-GFCCVEGCSA-N 1 0 317.816 3.969 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000866480391 1030318307 /nfs/dbraw/zinc/31/83/07/1030318307.db2.gz CREKPGFZOIHLBV-KSSFIOAISA-N 1 0 319.445 3.791 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485257 1030322641 /nfs/dbraw/zinc/32/26/41/1030322641.db2.gz HSLVNMAOPMAACQ-HZMBPMFUSA-N 1 0 310.353 3.577 20 10 DHCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823619419 1030341460 /nfs/dbraw/zinc/34/14/60/1030341460.db2.gz GARAADUWHAPLGM-GOSISDBHSA-N 1 0 318.486 3.635 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000866541375 1030362045 /nfs/dbraw/zinc/36/20/45/1030362045.db2.gz ZUKWVQFRZMWRIR-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000823737533 1030376561 /nfs/dbraw/zinc/37/65/61/1030376561.db2.gz ZATDAIZUUOXCQJ-HKUYNNGSSA-N 1 0 302.462 3.724 20 10 DHCDRO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866565654 1030379340 /nfs/dbraw/zinc/37/93/40/1030379340.db2.gz OSWLHILRCQCNOA-QMMMGPOBSA-N 1 0 315.751 3.568 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(C)(C)O ZINC000823753104 1030388199 /nfs/dbraw/zinc/38/81/99/1030388199.db2.gz RIRNJKRHQMUBOD-AWEZNQCLSA-N 1 0 318.486 3.634 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1O ZINC000866641047 1030418091 /nfs/dbraw/zinc/41/80/91/1030418091.db2.gz MUDKCLNSEUIGCJ-MRXNPFEDSA-N 1 0 312.413 3.613 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000823955112 1030432353 /nfs/dbraw/zinc/43/23/53/1030432353.db2.gz HNOHZHIAWQSINL-HNNXBMFYSA-N 1 0 318.511 3.980 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cc(C)ccc2OC)c1 ZINC000121620209 1030447441 /nfs/dbraw/zinc/44/74/41/1030447441.db2.gz ZMDPKAKPRMOTGG-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626386 1030448304 /nfs/dbraw/zinc/44/83/04/1030448304.db2.gz SLIMOMTWXNTFOL-BEFAXECRSA-N 1 0 321.424 3.825 20 10 DHCDRO Cc1cc(C(=O)C[N@@H+](C)C(C)(C)C)c(C)n1-c1ccc(F)cn1 ZINC000830566100 1030477094 /nfs/dbraw/zinc/47/70/94/1030477094.db2.gz HZFZAUJTJPTJAE-UHFFFAOYSA-N 1 0 317.408 3.541 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000291443768 1030505738 /nfs/dbraw/zinc/50/57/38/1030505738.db2.gz CBNVFMNKJJKEKF-SECBINFHSA-N 1 0 305.752 3.531 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3ccncc3s2)cc1 ZINC000824474521 1030560170 /nfs/dbraw/zinc/56/01/70/1030560170.db2.gz PBNZQMLZRLLPOY-UHFFFAOYSA-N 1 0 311.454 3.994 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000824483432 1030560640 /nfs/dbraw/zinc/56/06/40/1030560640.db2.gz MTHPCSDXAGUEPR-AWEZNQCLSA-N 1 0 315.438 3.770 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000824469103 1030567329 /nfs/dbraw/zinc/56/73/29/1030567329.db2.gz WTARXCNHQRTNTH-INIZCTEOSA-N 1 0 307.315 3.977 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057124 1030569929 /nfs/dbraw/zinc/56/99/29/1030569929.db2.gz UTSXLAUCBQWLBB-HNNXBMFYSA-N 1 0 313.828 3.961 20 10 DHCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824537602 1030584109 /nfs/dbraw/zinc/58/41/09/1030584109.db2.gz FJLFTBAGIBUTOT-MRXNPFEDSA-N 1 0 318.486 3.587 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000291735563 1030623139 /nfs/dbraw/zinc/62/31/39/1030623139.db2.gz OGRKUHHROCPJNV-SCLBCKFNSA-N 1 0 317.454 3.863 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1F ZINC000824765856 1030627719 /nfs/dbraw/zinc/62/77/19/1030627719.db2.gz PUEIPRJQDUFHFD-ZDUSSCGKSA-N 1 0 305.224 3.565 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926814 1030674233 /nfs/dbraw/zinc/67/42/33/1030674233.db2.gz HKQBZJPCJVZJTC-WBMJQRKESA-N 1 0 319.836 3.634 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000824954472 1030679507 /nfs/dbraw/zinc/67/95/07/1030679507.db2.gz QLMSNDNWIZJVEH-VDZJLULYSA-N 1 0 312.413 3.748 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824968553 1030688944 /nfs/dbraw/zinc/68/89/44/1030688944.db2.gz CAGGPKOXYWYEJU-AWEZNQCLSA-N 1 0 318.244 3.855 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2OC(C)C)cc1Cl ZINC000825032831 1030704035 /nfs/dbraw/zinc/70/40/35/1030704035.db2.gz FRTYHRNRMDHJQO-UHFFFAOYSA-N 1 0 320.820 3.826 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1Cl ZINC000825089770 1030722657 /nfs/dbraw/zinc/72/26/57/1030722657.db2.gz JAHUVPLBPDTAPE-NSHDSACASA-N 1 0 319.788 3.934 20 10 DHCDRO CCc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)cs1 ZINC000825185253 1030741932 /nfs/dbraw/zinc/74/19/32/1030741932.db2.gz LJSAHBWXCZVHQZ-UHFFFAOYSA-N 1 0 310.850 3.705 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)c1 ZINC000825215076 1030750173 /nfs/dbraw/zinc/75/01/73/1030750173.db2.gz FYHGBPNBZHRSME-QGZVFWFLSA-N 1 0 307.459 3.510 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1F ZINC000825215436 1030750944 /nfs/dbraw/zinc/75/09/44/1030750944.db2.gz OWMWQCGKXWVYRK-QGZVFWFLSA-N 1 0 308.466 3.611 20 10 DHCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000825326726 1030775820 /nfs/dbraw/zinc/77/58/20/1030775820.db2.gz PCKRCZFRZIGEGK-CYBMUJFWSA-N 1 0 303.377 3.569 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)COC2 ZINC001137028850 1030796567 /nfs/dbraw/zinc/79/65/67/1030796567.db2.gz ICNREHIYJXTZFR-UHFFFAOYSA-N 1 0 310.441 3.805 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1Cl ZINC000825394583 1030800612 /nfs/dbraw/zinc/80/06/12/1030800612.db2.gz CAUAZXDUAWLJLJ-UGSOOPFHSA-N 1 0 319.832 3.956 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O ZINC000926904982 1030977991 /nfs/dbraw/zinc/97/79/91/1030977991.db2.gz KNULWSYKBVCNCD-NURSFMCSSA-N 1 0 321.314 3.682 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000926906732 1030980619 /nfs/dbraw/zinc/98/06/19/1030980619.db2.gz YTRAPBCUSSERNX-ZOWXZIJZSA-N 1 0 317.351 3.851 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2O ZINC000926915420 1030986470 /nfs/dbraw/zinc/98/64/70/1030986470.db2.gz GNGPLMBIUHOACP-VPSJLMRDSA-N 1 0 305.393 3.628 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000926918158 1030992340 /nfs/dbraw/zinc/99/23/40/1030992340.db2.gz CZKXDCFOMVZGPO-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO COc1c(F)cc(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC001143848460 1031010670 /nfs/dbraw/zinc/01/06/70/1031010670.db2.gz ZFINUEXKBKNAEZ-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000926976491 1031023904 /nfs/dbraw/zinc/02/39/04/1031023904.db2.gz VXZNKMHXCKBILL-LLVKDONJSA-N 1 0 314.360 3.874 20 10 DHCDRO CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000927035667 1031043185 /nfs/dbraw/zinc/04/31/85/1031043185.db2.gz CBRFUHNKAMMTLN-RMXPPQQLSA-N 1 0 320.452 3.979 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c(O)c1C ZINC000927066736 1031065020 /nfs/dbraw/zinc/06/50/20/1031065020.db2.gz CZRCSSQKVMKWAF-WMLDXEAASA-N 1 0 301.434 3.790 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000927067151 1031065398 /nfs/dbraw/zinc/06/53/98/1031065398.db2.gz NRNMPLRDCOASPN-POZUXBRTSA-N 1 0 302.462 3.608 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000927067226 1031066010 /nfs/dbraw/zinc/06/60/10/1031066010.db2.gz DOIOOFUFJOUDNF-YRILPIOLSA-N 1 0 317.408 3.800 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000927067697 1031068684 /nfs/dbraw/zinc/06/86/84/1031068684.db2.gz CYJXPXBTEFCRLO-BNLOLNQZSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2O ZINC000927090181 1031081860 /nfs/dbraw/zinc/08/18/60/1031081860.db2.gz JJCSLEJIUVHMLJ-NHYWBVRUSA-N 1 0 313.372 3.804 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c1O ZINC000927108148 1031093035 /nfs/dbraw/zinc/09/30/35/1031093035.db2.gz ODDOHRHKQIKGLK-NSHDSACASA-N 1 0 319.836 3.816 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844745708 1031311571 /nfs/dbraw/zinc/31/15/71/1031311571.db2.gz FEQMEKDMPCBLMV-INIZCTEOSA-N 1 0 304.340 3.562 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)CCCC2 ZINC000844749189 1031312829 /nfs/dbraw/zinc/31/28/29/1031312829.db2.gz FPHKDZMDYKWKBQ-QGZVFWFLSA-N 1 0 307.384 3.892 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844759860 1031318988 /nfs/dbraw/zinc/31/89/88/1031318988.db2.gz MTNSOTGGFKTYLF-QGZVFWFLSA-N 1 0 319.351 3.785 20 10 DHCDRO CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844920218 1031401053 /nfs/dbraw/zinc/40/10/53/1031401053.db2.gz KWTMOEVFWLNFEK-LBPRGKRZSA-N 1 0 317.260 3.869 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)n1 ZINC000872038981 1031424242 /nfs/dbraw/zinc/42/42/42/1031424242.db2.gz QEAJWVNNCDJTGO-CYBMUJFWSA-N 1 0 312.504 3.707 20 10 DHCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)cc1O ZINC000293349051 1031439016 /nfs/dbraw/zinc/43/90/16/1031439016.db2.gz GVXSEXGIVXUHJP-MRVPVSSYSA-N 1 0 320.177 3.851 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)nnc2C)cc1 ZINC000929184878 1031459020 /nfs/dbraw/zinc/45/90/20/1031459020.db2.gz MOGWMAHAXKKSDF-UHFFFAOYSA-N 1 0 312.461 3.572 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H](O)c1ccccc1 ZINC000872132444 1031524805 /nfs/dbraw/zinc/52/48/05/1031524805.db2.gz HSLGUUOYIBXNAC-SOVGHPHASA-N 1 0 315.413 3.564 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H](O)c1ccccc1 ZINC000872131867 1031525585 /nfs/dbraw/zinc/52/55/85/1031525585.db2.gz BQLHGBCAGXMSKL-QANKJYHBSA-N 1 0 315.413 3.564 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000293653593 1031558269 /nfs/dbraw/zinc/55/82/69/1031558269.db2.gz ITAVZFCBIQQYTF-CQSZACIVSA-N 1 0 312.413 3.818 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872261074 1031566268 /nfs/dbraw/zinc/56/62/68/1031566268.db2.gz ZIXJGRQXJORYGR-IBGZPJMESA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293752880 1031603896 /nfs/dbraw/zinc/60/38/96/1031603896.db2.gz RNGMJDDMQZVZFV-CYBMUJFWSA-N 1 0 316.474 3.688 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)c1O ZINC000872746837 1031651219 /nfs/dbraw/zinc/65/12/19/1031651219.db2.gz MCIOEBVDWLNSKM-UHFFFAOYSA-N 1 0 310.397 3.823 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144509560 1031665340 /nfs/dbraw/zinc/66/53/40/1031665340.db2.gz ZDSLGNXCARQKAG-UHFFFAOYSA-N 1 0 301.386 3.606 20 10 DHCDRO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516240 1031675484 /nfs/dbraw/zinc/67/54/84/1031675484.db2.gz UVODGKPNCSIQRD-KRWDZBQOSA-N 1 0 313.397 3.757 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1C ZINC000873011936 1031692565 /nfs/dbraw/zinc/69/25/65/1031692565.db2.gz LCNQQVLOBOASOE-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1C ZINC000873013296 1031693980 /nfs/dbraw/zinc/69/39/80/1031693980.db2.gz ZLCSGPBKRBESHE-UHFFFAOYSA-N 1 0 313.445 3.535 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2ncccc12 ZINC000873051361 1031698890 /nfs/dbraw/zinc/69/88/90/1031698890.db2.gz ACLZNEYNILKJAJ-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO Fc1ccc2oc(C[NH2+]CCCSc3nccs3)nc2c1 ZINC000873053636 1031702431 /nfs/dbraw/zinc/70/24/31/1031702431.db2.gz DWSMICMLRIVODW-UHFFFAOYSA-N 1 0 323.418 3.695 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1C ZINC000873135143 1031722609 /nfs/dbraw/zinc/72/26/09/1031722609.db2.gz HBBNQVZJMPPOBE-HYFFOGBASA-N 1 0 323.502 3.563 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cc(F)ccc1O ZINC000873238402 1031769425 /nfs/dbraw/zinc/76/94/25/1031769425.db2.gz ZNSQXANGFRYNDM-CHWSQXEVSA-N 1 0 300.377 3.781 20 10 DHCDRO CCc1cccc(F)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845973277 1031788689 /nfs/dbraw/zinc/78/86/89/1031788689.db2.gz YEHOBTOIRHIDEX-GFCCVEGCSA-N 1 0 303.377 3.953 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000845972179 1031789041 /nfs/dbraw/zinc/78/90/41/1031789041.db2.gz PIJUVYFJHLANKO-OZVIIMIRSA-N 1 0 309.475 3.972 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)cc1 ZINC000873289248 1031789374 /nfs/dbraw/zinc/78/93/74/1031789374.db2.gz SKSPRMOAEJYVBR-CYBMUJFWSA-N 1 0 301.409 3.715 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(C)c1OC ZINC000845990972 1031794265 /nfs/dbraw/zinc/79/42/65/1031794265.db2.gz SJXXDHVNKPFROZ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H](OCC[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000846018153 1031807861 /nfs/dbraw/zinc/80/78/61/1031807861.db2.gz JADXGSVBIAMJBF-KRWDZBQOSA-N 1 0 315.413 3.658 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000846040686 1031834874 /nfs/dbraw/zinc/83/48/74/1031834874.db2.gz XZUYFEQIDGXGHM-CABCVRRESA-N 1 0 301.789 3.585 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C(F)(F)F)cc1O ZINC000846043422 1031839660 /nfs/dbraw/zinc/83/96/60/1031839660.db2.gz BAAHETPMSATFQS-OPQSFPLASA-N 1 0 315.335 3.772 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCSC(C)(C)C2)c1O ZINC000897795988 1031840062 /nfs/dbraw/zinc/84/00/62/1031840062.db2.gz VLMACKQGWRSHRS-GFCCVEGCSA-N 1 0 315.866 3.818 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2C)c1O ZINC000846149407 1031883572 /nfs/dbraw/zinc/88/35/72/1031883572.db2.gz YZNOCYAOUZTGHN-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846150919 1031883774 /nfs/dbraw/zinc/88/37/74/1031883774.db2.gz TTYYIJUWXZVXIN-CQSZACIVSA-N 1 0 315.413 3.959 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000846157887 1031889011 /nfs/dbraw/zinc/88/90/11/1031889011.db2.gz YMDJVMLZEUMSOU-UONOGXRCSA-N 1 0 305.418 3.543 20 10 DHCDRO CCCCn1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846160739 1031891254 /nfs/dbraw/zinc/89/12/54/1031891254.db2.gz XYZSJOFXZUAHIU-CQSZACIVSA-N 1 0 317.433 3.557 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000846159310 1031891297 /nfs/dbraw/zinc/89/12/97/1031891297.db2.gz JDNJVYIUAHMUQN-ZNMIVQPWSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000846162392 1031892085 /nfs/dbraw/zinc/89/20/85/1031892085.db2.gz AOWWNHAPQXYAEB-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000846164822 1031893885 /nfs/dbraw/zinc/89/38/85/1031893885.db2.gz RSKQCOVAXMHVLB-APHBMKBZSA-N 1 0 307.434 3.644 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000846164824 1031895303 /nfs/dbraw/zinc/89/53/03/1031895303.db2.gz RSKQCOVAXMHVLB-RCBQFDQVSA-N 1 0 307.434 3.644 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000846171104 1031897474 /nfs/dbraw/zinc/89/74/74/1031897474.db2.gz DBKHPVXVJAQMRY-XZOAIXRZSA-N 1 0 301.361 3.689 20 10 DHCDRO COc1ccc(CCC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846141874 1031899790 /nfs/dbraw/zinc/89/97/90/1031899790.db2.gz BCEZZLICJZOJNH-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1O ZINC000846135358 1031900588 /nfs/dbraw/zinc/90/05/88/1031900588.db2.gz CQYRJIVQRAHKFQ-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2OC(F)F)c1O ZINC000846135789 1031901064 /nfs/dbraw/zinc/90/10/64/1031901064.db2.gz HFBWWPFTVUMLAB-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000846141957 1031901250 /nfs/dbraw/zinc/90/12/50/1031901250.db2.gz ORDPVAWODBOCPB-ZBEGNZNMSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2cc(F)cc(F)c2)c1O ZINC000846141633 1031902695 /nfs/dbraw/zinc/90/26/95/1031902695.db2.gz LCOJABKXMMANMA-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2cc(C)cc(C)c2)c1O ZINC000846141113 1031902961 /nfs/dbraw/zinc/90/29/61/1031902961.db2.gz DPOVNVSIFIAPCO-HNNXBMFYSA-N 1 0 315.413 3.747 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1O ZINC000846143796 1031903307 /nfs/dbraw/zinc/90/33/07/1031903307.db2.gz HLZIJRAAYDLLSC-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1O ZINC000846141285 1031904241 /nfs/dbraw/zinc/90/42/41/1031904241.db2.gz HOZMWJRDDRTTIN-BBRMVZONSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cc(F)ccc2F)c1O ZINC000846143992 1031904380 /nfs/dbraw/zinc/90/43/80/1031904380.db2.gz FFKHLDYHSYIAAN-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccc(F)cc2)c1O ZINC000846147100 1031906813 /nfs/dbraw/zinc/90/68/13/1031906813.db2.gz STUVGXOYWNDFQG-STQMWFEESA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)c1O ZINC000846144244 1031907065 /nfs/dbraw/zinc/90/70/65/1031907065.db2.gz LMGPUPDNOSPBTM-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)c1O ZINC000846144525 1031907359 /nfs/dbraw/zinc/90/73/59/1031907359.db2.gz HKRZQEOHGWTSPC-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c1O ZINC000846144446 1031907568 /nfs/dbraw/zinc/90/75/68/1031907568.db2.gz DKODIWFOAXHXJK-GRDNDAEWSA-N 1 0 315.413 3.564 20 10 DHCDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846207567 1031909353 /nfs/dbraw/zinc/90/93/53/1031909353.db2.gz PGGKSWFUIZWPBY-AWEZNQCLSA-N 1 0 318.436 3.646 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C)cccc2O)o1 ZINC000877396003 1033294912 /nfs/dbraw/zinc/29/49/12/1033294912.db2.gz QLSGULNPCRJFED-INIZCTEOSA-N 1 0 301.386 3.777 20 10 DHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)cccc1O)CCO2 ZINC000877418161 1033296630 /nfs/dbraw/zinc/29/66/30/1033296630.db2.gz WFEJWVKPUHNCCD-QGZVFWFLSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1ccc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c(O)c1 ZINC000877470000 1033310439 /nfs/dbraw/zinc/31/04/39/1033310439.db2.gz CJGKSYRQISRIPG-AWEZNQCLSA-N 1 0 323.396 3.525 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000136687805 1033311713 /nfs/dbraw/zinc/31/17/13/1033311713.db2.gz HYUZXUNRDGXNGR-INIZCTEOSA-N 1 0 319.445 3.762 20 10 DHCDRO CCCN(Cc1cccc(NC(C)=O)c1)c1ccc(C[NH3+])cc1 ZINC000877478814 1033312947 /nfs/dbraw/zinc/31/29/47/1033312947.db2.gz PPTIPPHNHKZHBW-UHFFFAOYSA-N 1 0 311.429 3.520 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)c1O ZINC000877526071 1033335791 /nfs/dbraw/zinc/33/57/91/1033335791.db2.gz PGRVVIGBUDTBPG-AWEZNQCLSA-N 1 0 324.424 3.993 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000877591540 1033372275 /nfs/dbraw/zinc/37/22/75/1033372275.db2.gz FHROGOTYGFNWKZ-CQSZACIVSA-N 1 0 313.445 3.647 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000877612573 1033382797 /nfs/dbraw/zinc/38/27/97/1033382797.db2.gz KXIYUUVFHNUUJC-SFHVURJKSA-N 1 0 321.424 3.508 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000877644660 1033393989 /nfs/dbraw/zinc/39/39/89/1033393989.db2.gz ZBVUOZCIPXQCRC-KRWDZBQOSA-N 1 0 319.408 3.663 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000151039015 1033410721 /nfs/dbraw/zinc/41/07/21/1033410721.db2.gz KOFVMMLPNVHPJI-MRXNPFEDSA-N 1 0 324.472 3.599 20 10 DHCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172843291 1033412966 /nfs/dbraw/zinc/41/29/66/1033412966.db2.gz VSAGNNHGKKCMHB-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000151151950 1033419937 /nfs/dbraw/zinc/41/99/37/1033419937.db2.gz UQNUFGBEMGSOPN-INIZCTEOSA-N 1 0 312.461 3.651 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(-c2cnn(C)c2)c1 ZINC000877755860 1033431683 /nfs/dbraw/zinc/43/16/83/1033431683.db2.gz PDBWRXRZDOADLY-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO CCc1noc(C2CCC([NH2+][C@H](C)c3ccccc3O)CC2)n1 ZINC000877756630 1033434416 /nfs/dbraw/zinc/43/44/16/1033434416.db2.gz ZYRPLKKDISDRFS-IYXRBSQSSA-N 1 0 315.417 3.715 20 10 DHCDRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757220 1033435112 /nfs/dbraw/zinc/43/51/12/1033435112.db2.gz PDVWUEWHLRTZGJ-NSHDSACASA-N 1 0 307.825 3.753 20 10 DHCDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1O ZINC000877757396 1033435683 /nfs/dbraw/zinc/43/56/83/1033435683.db2.gz XKOXVRNOQYCTLB-KBPBESRZSA-N 1 0 309.413 3.940 20 10 DHCDRO COc1cc(Cl)c(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000877758403 1033438081 /nfs/dbraw/zinc/43/80/81/1033438081.db2.gz YIYZEIDQBNGCRZ-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1csc([C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000877813679 1033462941 /nfs/dbraw/zinc/46/29/41/1033462941.db2.gz NPALWDKCVKGYBT-LLVKDONJSA-N 1 0 308.834 3.800 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877824114 1033473194 /nfs/dbraw/zinc/47/31/94/1033473194.db2.gz OVVLNYMMSORTJT-RNCFNFMXSA-N 1 0 323.742 3.587 20 10 DHCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000152101938 1033502251 /nfs/dbraw/zinc/50/22/51/1033502251.db2.gz BZYNNIUSZLPNEX-CHWSQXEVSA-N 1 0 301.434 3.639 20 10 DHCDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877921205 1033515959 /nfs/dbraw/zinc/51/59/59/1033515959.db2.gz DKTPEDAUZUFEMQ-IZAXUBKRSA-N 1 0 302.462 3.534 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000152852380 1033548279 /nfs/dbraw/zinc/54/82/79/1033548279.db2.gz OJJUHZWJHWWSDF-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC001173221121 1033599716 /nfs/dbraw/zinc/59/97/16/1033599716.db2.gz JDTJXCYSFLUJKG-AWEZNQCLSA-N 1 0 314.385 3.638 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000826062917 1033780100 /nfs/dbraw/zinc/78/01/00/1033780100.db2.gz YMSRSYBRMBOMQV-GUYCJALGSA-N 1 0 311.853 3.895 20 10 DHCDRO CN(C)c1cc(F)c(CN2CCC[C@H]2c2cccnc2)cc1F ZINC000862367123 1033831741 /nfs/dbraw/zinc/83/17/41/1033831741.db2.gz WUUDFVYQVXBKJC-KRWDZBQOSA-N 1 0 317.383 3.763 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862394203 1033840314 /nfs/dbraw/zinc/84/03/14/1033840314.db2.gz DPEURNPGQVIUAX-CQSZACIVSA-N 1 0 313.445 3.647 20 10 DHCDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1cc(C)ccc1O ZINC000862476864 1033862831 /nfs/dbraw/zinc/86/28/31/1033862831.db2.gz ZNXOEINOQRMHGB-GOSISDBHSA-N 1 0 317.404 3.577 20 10 DHCDRO Oc1ccc([C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)cc1 ZINC000862541553 1033884613 /nfs/dbraw/zinc/88/46/13/1033884613.db2.gz WECUDPXBUQHTST-ZDUSSCGKSA-N 1 0 303.789 3.741 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CCC(OC(F)F)CC2)cc1Cl ZINC000826097309 1033954319 /nfs/dbraw/zinc/95/43/19/1033954319.db2.gz XUHMTNGZTFSFJP-UHFFFAOYSA-N 1 0 319.779 3.994 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927131864 1034027744 /nfs/dbraw/zinc/02/77/44/1034027744.db2.gz ZEBMVHVQDFKYHV-KGLIPLIRSA-N 1 0 305.418 3.543 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCOC1 ZINC000119347057 1034028168 /nfs/dbraw/zinc/02/81/68/1034028168.db2.gz YKJLNIUJSKZHLA-WMZOPIPTSA-N 1 0 316.489 3.970 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1O ZINC000863320976 1034065147 /nfs/dbraw/zinc/06/51/47/1034065147.db2.gz MMHJMTMHYIXZKI-YTQUADARSA-N 1 0 323.436 3.945 20 10 DHCDRO CCOc1ccccc1OCC[NH2+][C@H](C)c1ccccc1O ZINC000879648379 1034071620 /nfs/dbraw/zinc/07/16/20/1034071620.db2.gz MBQBCYZJFCTQFX-CQSZACIVSA-N 1 0 301.386 3.521 20 10 DHCDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651536 1034075814 /nfs/dbraw/zinc/07/58/14/1034075814.db2.gz ACOUVWDFZWHWDL-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543549 1034122876 /nfs/dbraw/zinc/12/28/76/1034122876.db2.gz QKAGCQFRUVPFDV-RWMBFGLXSA-N 1 0 317.260 3.880 20 10 DHCDRO CCn1cc(CC[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000794555489 1034188247 /nfs/dbraw/zinc/18/82/47/1034188247.db2.gz MEBVVRGZFHRDMU-UHFFFAOYSA-N 1 0 313.445 3.596 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178425050 1034236678 /nfs/dbraw/zinc/23/66/78/1034236678.db2.gz JJIFEJDCPSQBHE-CVEARBPZSA-N 1 0 320.452 3.893 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000183451436 1034387462 /nfs/dbraw/zinc/38/74/62/1034387462.db2.gz QLSUPKGLXCKYPC-LSDHHAIUSA-N 1 0 324.424 3.931 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(N2CCCC2=O)c1 ZINC000183451421 1034387779 /nfs/dbraw/zinc/38/77/79/1034387779.db2.gz QLSUPKGLXCKYPC-CABCVRRESA-N 1 0 324.424 3.931 20 10 DHCDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183535027 1034395826 /nfs/dbraw/zinc/39/58/26/1034395826.db2.gz RXVFLERGFJHAAO-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183534868 1034396474 /nfs/dbraw/zinc/39/64/74/1034396474.db2.gz BVEUTFKGSPPDKY-UONOGXRCSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183534357 1034396736 /nfs/dbraw/zinc/39/67/36/1034396736.db2.gz HPWDEDJPSAFJMP-KBPBESRZSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183554680 1034398867 /nfs/dbraw/zinc/39/88/67/1034398867.db2.gz LKGBOXPXAFFPPR-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O ZINC000183547038 1034400240 /nfs/dbraw/zinc/40/02/40/1034400240.db2.gz PLCDGQPMRRARSK-MRXNPFEDSA-N 1 0 321.424 3.682 20 10 DHCDRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000183604508 1034405421 /nfs/dbraw/zinc/40/54/21/1034405421.db2.gz FJPXQMFAUGYZIR-LBPRGKRZSA-N 1 0 302.443 3.621 20 10 DHCDRO Cc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000924747932 1034412595 /nfs/dbraw/zinc/41/25/95/1034412595.db2.gz AYZVOVNVBRMVHY-FQEVSTJZSA-N 1 0 322.452 3.609 20 10 DHCDRO CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C)cc1O ZINC000794798256 1034469601 /nfs/dbraw/zinc/46/96/01/1034469601.db2.gz UIIPJBSBXFAYFZ-QGZVFWFLSA-N 1 0 318.461 3.580 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000184691634 1034493211 /nfs/dbraw/zinc/49/32/11/1034493211.db2.gz LOUWZSAKHKQYAJ-LLVKDONJSA-N 1 0 321.804 3.953 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1cccnc1 ZINC000184882921 1034508211 /nfs/dbraw/zinc/50/82/11/1034508211.db2.gz ZLIJPWWNMNLUGQ-GHMZBOCLSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c(O)c1 ZINC000184911367 1034512829 /nfs/dbraw/zinc/51/28/29/1034512829.db2.gz PVAHBOOQWACSKO-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000184984051 1034517304 /nfs/dbraw/zinc/51/73/04/1034517304.db2.gz XWNBJBMYZYGPHB-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794813024 1034519015 /nfs/dbraw/zinc/51/90/15/1034519015.db2.gz ARXYTCSGYVTNIO-ZYSHUDEJSA-N 1 0 313.441 3.733 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(C)cc1O ZINC000794812730 1034520708 /nfs/dbraw/zinc/52/07/08/1034520708.db2.gz FHUGWXIHZMRMQN-HKUYNNGSSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccc(C)cc1O ZINC000794817427 1034526916 /nfs/dbraw/zinc/52/69/16/1034526916.db2.gz NAYRLRQESZCHGJ-MAUKXSAKSA-N 1 0 317.429 3.982 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000185193261 1034533311 /nfs/dbraw/zinc/53/33/11/1034533311.db2.gz DJBPHPJRBBOQEZ-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccc(C)cc1O ZINC000794818432 1034536175 /nfs/dbraw/zinc/53/61/75/1034536175.db2.gz XCPVXZJXQRCZRI-BBRMVZONSA-N 1 0 300.402 3.906 20 10 DHCDRO Cc1csc(CCCC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000185318997 1034540918 /nfs/dbraw/zinc/54/09/18/1034540918.db2.gz ZMXIBGRHVCBKLU-GFCCVEGCSA-N 1 0 308.422 3.970 20 10 DHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185349894 1034543535 /nfs/dbraw/zinc/54/35/35/1034543535.db2.gz SUUUQSWPXSMBDV-STQMWFEESA-N 1 0 313.445 3.725 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185513542 1034554140 /nfs/dbraw/zinc/55/41/40/1034554140.db2.gz UDNPZUUDBMHYJG-SGTLLEGYSA-N 1 0 317.454 3.717 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185513596 1034554614 /nfs/dbraw/zinc/55/46/14/1034554614.db2.gz UDNPZUUDBMHYJG-KZULUSFZSA-N 1 0 317.454 3.717 20 10 DHCDRO Cc1cc(Nc2c(O)cc(C(F)(F)F)cc2Cl)cc[nH+]1 ZINC001174657561 1034558585 /nfs/dbraw/zinc/55/85/85/1034558585.db2.gz KPWYPNOMOSVOHO-UHFFFAOYSA-N 1 0 302.683 3.933 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000120461112 1034565694 /nfs/dbraw/zinc/56/56/94/1034565694.db2.gz DAZLZBRDJPLKGF-UGSOOPFHSA-N 1 0 318.848 3.790 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000185738414 1034569521 /nfs/dbraw/zinc/56/95/21/1034569521.db2.gz RBVUXWGGPDDXAR-NUJGCVRESA-N 1 0 313.441 3.906 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211486735 1034570434 /nfs/dbraw/zinc/57/04/34/1034570434.db2.gz BOZPLQMWOGUUFR-RISCZKNCSA-N 1 0 310.235 3.919 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839496 1034576190 /nfs/dbraw/zinc/57/61/90/1034576190.db2.gz QZIWXSINKJBMFA-XEZPLFJOSA-N 1 0 305.443 3.925 20 10 DHCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794834430 1034589646 /nfs/dbraw/zinc/58/96/46/1034589646.db2.gz NMGIEEDWUSTDOT-GOSISDBHSA-N 1 0 313.489 3.589 20 10 DHCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCCCC2)cc1 ZINC000794834433 1034589940 /nfs/dbraw/zinc/58/99/40/1034589940.db2.gz NMGIEEDWUSTDOT-SFHVURJKSA-N 1 0 313.489 3.589 20 10 DHCDRO C[C@H]([NH2+]C1CCSCC1)c1cc(Br)ccc1O ZINC000185978422 1034590591 /nfs/dbraw/zinc/59/05/91/1034590591.db2.gz SZVAZYOAOXRXIE-VIFPVBQESA-N 1 0 316.264 3.701 20 10 DHCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000186137784 1034600997 /nfs/dbraw/zinc/60/09/97/1034600997.db2.gz VYZKVOMMEPMOEM-CYBMUJFWSA-N 1 0 316.470 3.990 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534105 1034637640 /nfs/dbraw/zinc/63/76/40/1034637640.db2.gz HVSSIWUCVFZPPO-SJORKVTESA-N 1 0 302.418 3.510 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c1 ZINC000865463150 1034659287 /nfs/dbraw/zinc/65/92/87/1034659287.db2.gz HUSLCCNGOSGAGK-UHFFFAOYSA-N 1 0 315.413 3.868 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccccc2F)c1 ZINC000794842003 1034675972 /nfs/dbraw/zinc/67/59/72/1034675972.db2.gz ORMHYSXVFWECNA-ZDUSSCGKSA-N 1 0 303.377 3.823 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccc2F)c1 ZINC000794842001 1034676049 /nfs/dbraw/zinc/67/60/49/1034676049.db2.gz ORMHYSXVFWECNA-CYBMUJFWSA-N 1 0 303.377 3.823 20 10 DHCDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000773427350 1034689621 /nfs/dbraw/zinc/68/96/21/1034689621.db2.gz KQMYZCCQDKMQOX-UHFFFAOYSA-N 1 0 313.825 3.647 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1F ZINC000192780239 1034818148 /nfs/dbraw/zinc/81/81/48/1034818148.db2.gz XGWSIGNQFZTJJY-GOSISDBHSA-N 1 0 313.420 3.928 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccnn1C ZINC000192846837 1034822623 /nfs/dbraw/zinc/82/26/23/1034822623.db2.gz BUUKFCLCRARCQC-INIZCTEOSA-N 1 0 312.461 3.507 20 10 DHCDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000193420752 1034844054 /nfs/dbraw/zinc/84/40/54/1034844054.db2.gz PSEQOHDXSNKQRC-UHFFFAOYSA-N 1 0 313.372 3.626 20 10 DHCDRO CC(C)CCC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001177333403 1035364393 /nfs/dbraw/zinc/36/43/93/1035364393.db2.gz BNKZJBAEOPJFKD-HOTGVXAUSA-N 1 0 322.468 3.965 20 10 DHCDRO CCNc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001177528825 1035377137 /nfs/dbraw/zinc/37/71/37/1035377137.db2.gz JRUNMBXQZQKAER-UHFFFAOYSA-N 1 0 309.457 3.791 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]Cc2cccc3cc[nH]c32)cc1F ZINC001178496552 1035429744 /nfs/dbraw/zinc/42/97/44/1035429744.db2.gz AFDNEQHVADQTTI-UHFFFAOYSA-N 1 0 315.367 3.802 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000773755681 1035439691 /nfs/dbraw/zinc/43/96/91/1035439691.db2.gz MTWUAKGSCAQDNW-NRFANRHFSA-N 1 0 324.468 3.889 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000773766753 1035442919 /nfs/dbraw/zinc/44/29/19/1035442919.db2.gz VFRDDWLDVDNWFH-UHFFFAOYSA-N 1 0 312.457 3.527 20 10 DHCDRO Cc1ccc(F)c(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001178730886 1035445175 /nfs/dbraw/zinc/44/51/75/1035445175.db2.gz ITFWRZUIHWEUJA-UHFFFAOYSA-N 1 0 322.374 3.811 20 10 DHCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240292 1035468572 /nfs/dbraw/zinc/46/85/72/1035468572.db2.gz NOTMNTHLMDGMGI-QGZVFWFLSA-N 1 0 312.457 3.905 20 10 DHCDRO COc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C ZINC001179193963 1035470567 /nfs/dbraw/zinc/47/05/67/1035470567.db2.gz OQEBSBPIYUUPQH-QGZVFWFLSA-N 1 0 302.462 3.500 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001179717494 1035494598 /nfs/dbraw/zinc/49/45/98/1035494598.db2.gz UDQYTCLLRKUPNW-GHOSXJJBSA-N 1 0 314.473 3.847 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC001180149090 1035610464 /nfs/dbraw/zinc/61/04/64/1035610464.db2.gz UOAQEJJUAQKDJT-OXJNMPFZSA-N 1 0 311.425 3.971 20 10 DHCDRO CCC[C@@H](C)[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001180275084 1035628505 /nfs/dbraw/zinc/62/85/05/1035628505.db2.gz GDBSHRAVJKEFLQ-GFCCVEGCSA-N 1 0 320.408 3.724 20 10 DHCDRO COCCC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001180257922 1035634123 /nfs/dbraw/zinc/63/41/23/1035634123.db2.gz KTUXRZLPRJNAME-UHFFFAOYSA-N 1 0 318.486 3.853 20 10 DHCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000324004180 1035855554 /nfs/dbraw/zinc/85/55/54/1035855554.db2.gz JSCRGXRZYXLEHD-UHFFFAOYSA-N 1 0 310.441 3.548 20 10 DHCDRO CCc1cccc(C[N@@H+](CCO)C2CCC(CC)CC2)c1O ZINC001181418883 1035904481 /nfs/dbraw/zinc/90/44/81/1035904481.db2.gz QKGPVTGVCSREHW-UHFFFAOYSA-N 1 0 305.462 3.718 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000906585859 1036007557 /nfs/dbraw/zinc/00/75/57/1036007557.db2.gz AOLXLFCBJUKHAC-GOPGUHFVSA-N 1 0 301.361 3.747 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1Cl ZINC000130327628 1036120788 /nfs/dbraw/zinc/12/07/88/1036120788.db2.gz GHNJOAPQUVGKQO-SECBINFHSA-N 1 0 323.751 3.764 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774096108 1036161249 /nfs/dbraw/zinc/16/12/49/1036161249.db2.gz HRKHIAXHKOBCKH-SNVBAGLBSA-N 1 0 319.276 3.937 20 10 DHCDRO C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160136 1036207404 /nfs/dbraw/zinc/20/74/04/1036207404.db2.gz RYADJYOZKZCKBC-JTQLQIEISA-N 1 0 305.249 3.691 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(CC)CC ZINC001204335840 1036251855 /nfs/dbraw/zinc/25/18/55/1036251855.db2.gz XMDUBUCTRAMKHR-ROUUACIJSA-N 1 0 321.461 3.816 20 10 DHCDRO Cc1cccc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1O ZINC000775659298 1036263262 /nfs/dbraw/zinc/26/32/62/1036263262.db2.gz VHYPLTLUUOWFGU-BQFCYCMXSA-N 1 0 302.462 3.538 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)cn1 ZINC000192945083 1036276678 /nfs/dbraw/zinc/27/66/78/1036276678.db2.gz PUDJBEDUUYCRAC-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO Cc1cc(Cl)cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000775665760 1036289719 /nfs/dbraw/zinc/28/97/19/1036289719.db2.gz YAMFKVKWHVTXJU-UHFFFAOYSA-N 1 0 310.869 3.660 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2c1c(F)ccc2O ZINC000774380180 1036307849 /nfs/dbraw/zinc/30/78/49/1036307849.db2.gz RKRJSRSJQHPBNV-IVMMDQJWSA-N 1 0 318.436 3.686 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1 ZINC001182684548 1036423330 /nfs/dbraw/zinc/42/33/30/1036423330.db2.gz NDYSLAPMBUZUGA-QRWLVFNGSA-N 1 0 313.441 3.901 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000775703384 1036482690 /nfs/dbraw/zinc/48/26/90/1036482690.db2.gz QCBHCFBMUPVOOL-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163574526 1036506280 /nfs/dbraw/zinc/50/62/80/1036506280.db2.gz KBJXCUFMWNDDSY-ZBFHGGJFSA-N 1 0 308.441 3.628 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(C)c3)CC2)cc1 ZINC000102432886 1036517309 /nfs/dbraw/zinc/51/73/09/1036517309.db2.gz CFJLWERRZVGUMT-UHFFFAOYSA-N 1 0 310.441 3.762 20 10 DHCDRO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccccc2O)c1 ZINC001203561119 1036549335 /nfs/dbraw/zinc/54/93/35/1036549335.db2.gz LSRJESSQWUQXAB-KRWDZBQOSA-N 1 0 315.438 3.691 20 10 DHCDRO COc1cc(C)c(C[NH2+]CC2(SC)CCCCC2)c(O)c1 ZINC001183842592 1036681017 /nfs/dbraw/zinc/68/10/17/1036681017.db2.gz COYLGAHVUWUILW-UHFFFAOYSA-N 1 0 309.475 3.865 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@H](C)CC(C)C)CC2)c(OC)c1 ZINC001197105224 1036687197 /nfs/dbraw/zinc/68/71/97/1036687197.db2.gz QLVYGLMOFKBONP-MRXNPFEDSA-N 1 0 320.477 3.508 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000915228071 1036720065 /nfs/dbraw/zinc/72/00/65/1036720065.db2.gz DGWIPMMZHMKDBV-LJQANCHMSA-N 1 0 304.478 3.972 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000915228235 1036720572 /nfs/dbraw/zinc/72/05/72/1036720572.db2.gz KEXSGJAXQPEXHP-KRWDZBQOSA-N 1 0 314.477 3.688 20 10 DHCDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001184219509 1036775324 /nfs/dbraw/zinc/77/53/24/1036775324.db2.gz WCBIWRVTAVQPQQ-HLIPFELVSA-N 1 0 317.521 3.771 20 10 DHCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762649038 1036895223 /nfs/dbraw/zinc/89/52/23/1036895223.db2.gz KVDYIWAUQJNDBP-VXESANQCSA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1cc(CC[NH2+]C[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000775823644 1036962802 /nfs/dbraw/zinc/96/28/02/1036962802.db2.gz WBBUDFXROAFXHN-GOSISDBHSA-N 1 0 312.457 3.653 20 10 DHCDRO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836949 1036991356 /nfs/dbraw/zinc/99/13/56/1036991356.db2.gz POFJIQFJWWIDKM-CQSZACIVSA-N 1 0 312.413 3.529 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000237230619 1036997739 /nfs/dbraw/zinc/99/77/39/1036997739.db2.gz YCNWCRVQNZIOIC-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1F ZINC000774830998 1037043057 /nfs/dbraw/zinc/04/30/57/1037043057.db2.gz ROQOTENNYNPIHH-QAPCUYQASA-N 1 0 308.441 3.577 20 10 DHCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001199354372 1037243954 /nfs/dbraw/zinc/24/39/54/1037243954.db2.gz QPWSQOXSZYMPGB-UHFFFAOYSA-N 1 0 312.413 3.642 20 10 DHCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1 ZINC001203935690 1037271836 /nfs/dbraw/zinc/27/18/36/1037271836.db2.gz AVFKXQWZYWDMAG-UHFFFAOYSA-N 1 0 312.457 3.826 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000776014294 1037299830 /nfs/dbraw/zinc/29/98/30/1037299830.db2.gz RCGGPNFJCHKYCQ-UHFFFAOYSA-N 1 0 309.409 3.838 20 10 DHCDRO Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C2CCC2)n1 ZINC001186079321 1037302125 /nfs/dbraw/zinc/30/21/25/1037302125.db2.gz IQABUCBTYFLVBN-NSHDSACASA-N 1 0 313.401 3.507 20 10 DHCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC001199830762 1037347094 /nfs/dbraw/zinc/34/70/94/1037347094.db2.gz SHMGOLKWEXHZPS-ROUUACIJSA-N 1 0 302.462 3.506 20 10 DHCDRO COc1ccccc1C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001199895250 1037353884 /nfs/dbraw/zinc/35/38/84/1037353884.db2.gz BGMKCAGEOHRXDV-UHFFFAOYSA-N 1 0 311.425 3.698 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccco1 ZINC000163626285 1037654476 /nfs/dbraw/zinc/65/44/76/1037654476.db2.gz PTTXPVIGDVHQHR-CQSZACIVSA-N 1 0 302.443 3.684 20 10 DHCDRO COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000775130446 1037657708 /nfs/dbraw/zinc/65/77/08/1037657708.db2.gz KWCFCBXRXASQHI-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000776168842 1037673389 /nfs/dbraw/zinc/67/33/89/1037673389.db2.gz RTYUVEIBIOPJNE-LPHOPBHVSA-N 1 0 318.505 3.982 20 10 DHCDRO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775131955 1037675250 /nfs/dbraw/zinc/67/52/50/1037675250.db2.gz ZYQLYHWIAMANGX-NSHDSACASA-N 1 0 301.777 3.544 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000776174247 1037679584 /nfs/dbraw/zinc/67/95/84/1037679584.db2.gz GEIWIERICOMVKB-GFCCVEGCSA-N 1 0 305.805 3.780 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000775134725 1037680998 /nfs/dbraw/zinc/68/09/98/1037680998.db2.gz DSIRYHLRYITJOI-LBPRGKRZSA-N 1 0 304.331 3.666 20 10 DHCDRO CN(C)c1ccc([C@@H](CNc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC001187833438 1037744110 /nfs/dbraw/zinc/74/41/10/1037744110.db2.gz SLYSYKNULSWHBU-QGZVFWFLSA-N 1 0 324.428 3.609 20 10 DHCDRO Cc1cc(C[NH2+]C2CCC(O)CC2)c(C)n1-c1cccc(C)c1 ZINC000913169350 1037747929 /nfs/dbraw/zinc/74/79/29/1037747929.db2.gz LEFKCLTUJJOAAH-UHFFFAOYSA-N 1 0 312.457 3.796 20 10 DHCDRO COc1cc(CC[NH2+]Cc2c(O)cccc2Cl)ccc1C ZINC000776215424 1037914198 /nfs/dbraw/zinc/91/41/98/1037914198.db2.gz CFTOKNKLCKPDAQ-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC001202010874 1037963438 /nfs/dbraw/zinc/96/34/38/1037963438.db2.gz RVVJNHCHNHOANH-QGZVFWFLSA-N 1 0 324.472 3.750 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000776255421 1038107716 /nfs/dbraw/zinc/10/77/16/1038107716.db2.gz DDUDIKOXSZMMGN-UHFFFAOYSA-N 1 0 315.388 3.652 20 10 DHCDRO COC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC(C)CC1 ZINC001202268738 1038123671 /nfs/dbraw/zinc/12/36/71/1038123671.db2.gz CLBIDXUXAUDCPF-UHFFFAOYSA-N 1 0 308.441 3.577 20 10 DHCDRO COc1ccc(OCC[N@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000917066900 1038158171 /nfs/dbraw/zinc/15/81/71/1038158171.db2.gz XEWZWWXNDSTRFO-UHFFFAOYSA-N 1 0 315.413 3.528 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154269086 1038185287 /nfs/dbraw/zinc/18/52/87/1038185287.db2.gz LJHZUDOTSAGKLI-UHFFFAOYSA-N 1 0 312.369 3.773 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775414184 1038386369 /nfs/dbraw/zinc/38/63/69/1038386369.db2.gz DURUIRVOVHGRJU-OAHLLOKOSA-N 1 0 315.804 3.934 20 10 DHCDRO Cc1cc(C[N@H+](CCO)CC(C)(C)C)ccc1N1CCCCC1 ZINC001190914910 1038407768 /nfs/dbraw/zinc/40/77/68/1038407768.db2.gz XYJJUWYEWPRCIJ-UHFFFAOYSA-N 1 0 318.505 3.826 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1O ZINC000775492167 1038561770 /nfs/dbraw/zinc/56/17/70/1038561770.db2.gz MRDQFQMLGUOKKI-RDJZCZTQSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1O ZINC000775498195 1038581420 /nfs/dbraw/zinc/58/14/20/1038581420.db2.gz INFPVMLRJYOXEY-BMIGLBTASA-N 1 0 307.825 3.889 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccccc1O ZINC000775497835 1038581625 /nfs/dbraw/zinc/58/16/25/1038581625.db2.gz WEFSNGNGFIPKTO-QGZVFWFLSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1O ZINC000775498088 1038581636 /nfs/dbraw/zinc/58/16/36/1038581636.db2.gz HBXBDXLEPMPPLJ-INIZCTEOSA-N 1 0 300.402 3.654 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccccc1O ZINC000775552016 1038709966 /nfs/dbraw/zinc/70/99/66/1038709966.db2.gz RGQDYKSHHPFEQJ-WMLDXEAASA-N 1 0 303.402 3.674 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1F ZINC000170779206 1038960281 /nfs/dbraw/zinc/96/02/81/1038960281.db2.gz LYXHURNAOOBCTL-SFHVURJKSA-N 1 0 321.367 3.616 20 10 DHCDRO C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000760896546 1039032235 /nfs/dbraw/zinc/03/22/35/1039032235.db2.gz GLGAWBABVBRCTP-MRXNPFEDSA-N 1 0 303.494 3.525 20 10 DHCDRO Cc1cc(C[NH2+]Cc2oc(C)nc2C)c(C)n1-c1ccccc1 ZINC000323907818 1039045693 /nfs/dbraw/zinc/04/56/93/1039045693.db2.gz RCRVVPIUNFNTCQ-UHFFFAOYSA-N 1 0 309.413 3.989 20 10 DHCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000230698485 1039957915 /nfs/dbraw/zinc/95/79/15/1039957915.db2.gz AZPGBVUPLYDSDS-NEPJUHHUSA-N 1 0 316.264 3.528 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1 ZINC000230694625 1039961793 /nfs/dbraw/zinc/96/17/93/1039961793.db2.gz SLPJROKUHLLMEE-AWEZNQCLSA-N 1 0 303.475 3.883 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccc(Cl)s2)c1O ZINC000227441289 1040262515 /nfs/dbraw/zinc/26/25/15/1040262515.db2.gz KXHBEYDZLYHXDY-UHFFFAOYSA-N 1 0 311.834 3.838 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](Cc2ccccn2)C(C)C)c1O ZINC000761192502 1040554614 /nfs/dbraw/zinc/55/46/14/1040554614.db2.gz OYTSMQSUXHMJDL-UHFFFAOYSA-N 1 0 320.820 3.860 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000761191415 1040560722 /nfs/dbraw/zinc/56/07/22/1040560722.db2.gz TZDBIOGQZNFMCG-HNNXBMFYSA-N 1 0 318.804 3.786 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000761216820 1040684275 /nfs/dbraw/zinc/68/42/75/1040684275.db2.gz YDAJAFUSWSXSNP-DIFFPNOSSA-N 1 0 307.340 3.536 20 10 DHCDRO c1cn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000092648402 185331498 /nfs/dbraw/zinc/33/14/98/185331498.db2.gz NWTMEXYVAYVHFA-UHFFFAOYSA-N 1 0 324.472 3.711 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1 ZINC000093316098 193229791 /nfs/dbraw/zinc/22/97/91/193229791.db2.gz UTHDLDJVHMBEJH-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c(O)c1 ZINC000019233401 182110751 /nfs/dbraw/zinc/11/07/51/182110751.db2.gz REJNGCUASUNVPM-DZGCQCFKSA-N 1 0 304.459 3.716 20 10 DHCDRO CCC[N@H+](CCCCCn1cccn1)Cc1ccccc1O ZINC000104682374 194026937 /nfs/dbraw/zinc/02/69/37/194026937.db2.gz UENRYOIKYZSUPI-UHFFFAOYSA-N 1 0 301.434 3.671 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(O)c1 ZINC000105486495 194105766 /nfs/dbraw/zinc/10/57/66/194105766.db2.gz GFKCSCRCELNKMB-KRWDZBQOSA-N 1 0 313.397 3.664 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1O ZINC000272859724 130070009 /nfs/dbraw/zinc/07/00/09/130070009.db2.gz MKEMBTNUNALLJM-QRQYBIJMSA-N 1 0 303.427 3.541 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000272901953 130072812 /nfs/dbraw/zinc/07/28/12/130072812.db2.gz VFGJIHYKSSIUAF-LXIYXOSZSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000272905130 130073514 /nfs/dbraw/zinc/07/35/14/130073514.db2.gz VUUPGWRLLYIAIU-CKFHNAJUSA-N 1 0 315.413 3.828 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1C ZINC000273345784 130109041 /nfs/dbraw/zinc/10/90/41/130109041.db2.gz AQZXLYQFBYIQNJ-DAYGRLMNSA-N 1 0 321.486 3.714 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1C ZINC000273401821 130117383 /nfs/dbraw/zinc/11/73/83/130117383.db2.gz NGZWXYITTULHFV-OAHLLOKOSA-N 1 0 309.413 3.550 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1 ZINC000273479912 130126310 /nfs/dbraw/zinc/12/63/10/130126310.db2.gz LRZPOZQFGLMNTI-CQSZACIVSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1C ZINC000273565264 130136573 /nfs/dbraw/zinc/13/65/73/130136573.db2.gz JGCZEQFMLCOQLV-DYVFJYSZSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)cn2c1 ZINC000273590426 130141944 /nfs/dbraw/zinc/14/19/44/130141944.db2.gz OZNIWALYOWYGNB-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)sc1C ZINC000273611462 130144305 /nfs/dbraw/zinc/14/43/05/130144305.db2.gz WDGJONUBQDLCJF-CYBMUJFWSA-N 1 0 304.459 3.976 20 10 DHCDRO CCSc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)ccn1 ZINC000275059054 130287468 /nfs/dbraw/zinc/28/74/68/130287468.db2.gz OTJYZBKJLXBQSK-UHFFFAOYSA-N 1 0 302.443 3.800 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000284284711 131066900 /nfs/dbraw/zinc/06/69/00/131066900.db2.gz HSWDBYJRDYOXCC-LLVKDONJSA-N 1 0 308.328 3.548 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284343496 131072672 /nfs/dbraw/zinc/07/26/72/131072672.db2.gz MXCZKMIRLHEBDM-MRXNPFEDSA-N 1 0 312.461 3.570 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000284363275 131074159 /nfs/dbraw/zinc/07/41/59/131074159.db2.gz NEJLIVLZVFKHHO-IBGZPJMESA-N 1 0 321.424 3.878 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(CSC)cc2)c1O ZINC000285602700 131185149 /nfs/dbraw/zinc/18/51/49/131185149.db2.gz WTRJRLKEGHZIIM-UHFFFAOYSA-N 1 0 303.427 3.554 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286136927 131221321 /nfs/dbraw/zinc/22/13/21/131221321.db2.gz OUIMVYOLLVCSRO-RHSMWYFYSA-N 1 0 308.441 3.692 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccccc1O ZINC000286870093 131253756 /nfs/dbraw/zinc/25/37/56/131253756.db2.gz BRZBVGAOPADQJK-MLGOLLRUSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1O ZINC000289743013 131411976 /nfs/dbraw/zinc/41/19/76/131411976.db2.gz KRBJCHDUIOWOSB-WSTZPKSXSA-N 1 0 311.425 3.599 20 10 DHCDRO CC[NH+](CC)Cc1cccc(NCc2cccc(OC)c2O)c1 ZINC000122287436 132163206 /nfs/dbraw/zinc/16/32/06/132163206.db2.gz XPJXYOIDCYJEOP-UHFFFAOYSA-N 1 0 314.429 3.855 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630144 333210869 /nfs/dbraw/zinc/21/08/69/333210869.db2.gz DOFMKLNRCAKQAI-FZMZJTMJSA-N 1 0 309.793 3.985 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000295029776 335129732 /nfs/dbraw/zinc/12/97/32/335129732.db2.gz NTSZSHSICZKLEK-PWSUYJOCSA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296643801 335145322 /nfs/dbraw/zinc/14/53/22/335145322.db2.gz YGEJPOWYSHNUIY-UXLLHSPISA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1Cl ZINC000296562202 335146599 /nfs/dbraw/zinc/14/65/99/335146599.db2.gz ULSZEMPBOYCENW-CRAIPNDOSA-N 1 0 317.816 3.530 20 10 DHCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296554414 335146288 /nfs/dbraw/zinc/14/62/88/335146288.db2.gz RSESZWHZQYIYBW-IRXDYDNUSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1[O-] ZINC000282803701 334137384 /nfs/dbraw/zinc/13/73/84/334137384.db2.gz QYQJXEJZGNLRQB-FZMZJTMJSA-N 1 0 311.372 3.670 20 10 DHCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)C2 ZINC000368315895 336842271 /nfs/dbraw/zinc/84/22/71/336842271.db2.gz MXSIQPMSCJDKMM-GOEBONIOSA-N 1 0 321.424 3.716 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450754 337011320 /nfs/dbraw/zinc/01/13/20/337011320.db2.gz DEHSVIHZBGBWNE-GOEBONIOSA-N 1 0 313.445 3.686 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1 ZINC000375531015 337012945 /nfs/dbraw/zinc/01/29/45/337012945.db2.gz YQSVPCQJJPXCPG-LMMKCTJWSA-N 1 0 303.446 3.606 20 10 DHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cnn1C(C)C ZINC000376958141 337044290 /nfs/dbraw/zinc/04/42/90/337044290.db2.gz NVDRHNHJQYVMRV-AWEZNQCLSA-N 1 0 312.461 3.616 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000377230393 337048913 /nfs/dbraw/zinc/04/89/13/337048913.db2.gz AWCJLNKASIHVNC-UHFFFAOYSA-N 1 0 312.461 3.636 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835785 337062107 /nfs/dbraw/zinc/06/21/07/337062107.db2.gz WLVGGUYVJYCQJA-XHSDSOJGSA-N 1 0 319.445 3.600 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccccc1O ZINC000183559718 337192315 /nfs/dbraw/zinc/19/23/15/337192315.db2.gz BOFTZZAABMILBJ-HUUCEWRRSA-N 1 0 307.397 3.990 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1O ZINC000183631820 337193958 /nfs/dbraw/zinc/19/39/58/337193958.db2.gz RSJKWIRHRJGSLV-UONOGXRCSA-N 1 0 323.396 3.897 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1COc2ccccc21 ZINC000186176409 337254156 /nfs/dbraw/zinc/25/41/56/337254156.db2.gz BMQRSHYFOAQEBT-OZVIIMIRSA-N 1 0 301.361 3.747 20 10 DHCDRO C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1O ZINC000359997749 337441590 /nfs/dbraw/zinc/44/15/90/337441590.db2.gz KLSFBBANPNHQOA-CQSZACIVSA-N 1 0 314.404 3.851 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000248734886 337566999 /nfs/dbraw/zinc/56/69/99/337566999.db2.gz DNEUWJQVCPZCKK-FNHZYXHNSA-N 1 0 302.462 3.751 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000251861076 337585687 /nfs/dbraw/zinc/58/56/87/337585687.db2.gz OEYKQTNUKVIIIG-OBZTUIKSSA-N 1 0 314.473 3.895 20 10 DHCDRO COc1cccc([C@H](C[NH2+]Cc2cc(Cl)ccc2O)OC)c1 ZINC000527737436 337758779 /nfs/dbraw/zinc/75/87/79/337758779.db2.gz NPVGKRVLHJDXHK-KRWDZBQOSA-N 1 0 321.804 3.532 20 10 DHCDRO COc1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)cn1 ZINC000527840795 337767929 /nfs/dbraw/zinc/76/79/29/337767929.db2.gz JEOHMPZNKIZKDS-QGZVFWFLSA-N 1 0 318.804 3.690 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)OC)c1 ZINC000527923892 337775420 /nfs/dbraw/zinc/77/54/20/337775420.db2.gz FDKQIPSPAQXUED-IFXJQAMLSA-N 1 0 315.413 3.748 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000237273787 340669711 /nfs/dbraw/zinc/66/97/11/340669711.db2.gz GOZGZSAUWWVYTI-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COCCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000530095350 340779165 /nfs/dbraw/zinc/77/91/65/340779165.db2.gz GTHNWQIPJJAFQU-UHFFFAOYSA-N 1 0 321.461 3.644 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CC2 ZINC000295853379 341715416 /nfs/dbraw/zinc/71/54/16/341715416.db2.gz GDIQIPRQKNATBF-IBGZPJMESA-N 1 0 322.452 3.634 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000268768784 520284251 /nfs/dbraw/zinc/28/42/51/520284251.db2.gz OUUVOGJPRRVGTB-CYBMUJFWSA-N 1 0 303.475 3.801 20 10 DHCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179334 520637332 /nfs/dbraw/zinc/63/73/32/520637332.db2.gz RZULGWVDCYQGTM-QWHCGFSZSA-N 1 0 314.420 3.832 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000364998501 521353365 /nfs/dbraw/zinc/35/33/65/521353365.db2.gz FVRDDBDVJGXKQN-MRXNPFEDSA-N 1 0 312.413 3.695 20 10 DHCDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182341352 521505012 /nfs/dbraw/zinc/50/50/12/521505012.db2.gz AYLXFPJWAWRZOZ-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000155864743 522705951 /nfs/dbraw/zinc/70/59/51/522705951.db2.gz RMIZYWDCSMQJAV-QAPCUYQASA-N 1 0 324.424 3.518 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317769 522947829 /nfs/dbraw/zinc/94/78/29/522947829.db2.gz KNMVURVDZIIFLV-CABCVRRESA-N 1 0 314.433 3.683 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000180695778 524393431 /nfs/dbraw/zinc/39/34/31/524393431.db2.gz SDUUSYYHSNGAAM-CVEARBPZSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c(O)cccc1Cl ZINC000131120559 524845701 /nfs/dbraw/zinc/84/57/01/524845701.db2.gz WFJLQAPDYDKTNW-IINYFYTJSA-N 1 0 311.834 3.709 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnccn1 ZINC000157502981 525446615 /nfs/dbraw/zinc/44/66/15/525446615.db2.gz VAUJODBMXROZMM-INIZCTEOSA-N 1 0 310.445 3.564 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130224434 525526644 /nfs/dbraw/zinc/52/66/44/525526644.db2.gz SOSQABBZBMOQDD-CYBMUJFWSA-N 1 0 315.486 3.939 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124387220 525657097 /nfs/dbraw/zinc/65/70/97/525657097.db2.gz OYXTZSJWURIITI-LPMFXHHGSA-N 1 0 316.420 3.664 20 10 DHCDRO CSC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134922467 525693510 /nfs/dbraw/zinc/69/35/10/525693510.db2.gz YFTMHUYYQVAVSX-DTWKUNHWSA-N 1 0 304.253 3.557 20 10 DHCDRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000188914681 525864091 /nfs/dbraw/zinc/86/40/91/525864091.db2.gz CBZPGFPFLCVYDZ-YRNRMSPPSA-N 1 0 313.441 3.673 20 10 DHCDRO COc1cccc(C[NH+]2CCC(c3ccsc3)CC2)c1O ZINC000188692469 525934285 /nfs/dbraw/zinc/93/42/85/525934285.db2.gz RHNVXVDUDFLTRL-UHFFFAOYSA-N 1 0 303.427 3.842 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000180204330 526349774 /nfs/dbraw/zinc/34/97/74/526349774.db2.gz MZCJELAOVYPMKF-MRXNPFEDSA-N 1 0 315.388 3.570 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180257765 526350220 /nfs/dbraw/zinc/35/02/20/526350220.db2.gz SAVNRMAIKCAMNX-ZBFHGGJFSA-N 1 0 321.417 3.681 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266070161 526355122 /nfs/dbraw/zinc/35/51/22/526355122.db2.gz IHYDRUOUBBBMOB-UHFFFAOYSA-N 1 0 311.425 3.938 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1c(C)noc1C ZINC000894362886 1013117949 /nfs/dbraw/zinc/11/79/49/1013117949.db2.gz YREQGAILWVYVKU-AWEZNQCLSA-N 1 0 304.390 3.555 20 10 DHCDRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167107639 1013148822 /nfs/dbraw/zinc/14/88/22/1013148822.db2.gz FPXJDDRKZQCFRH-OAQYLSRUSA-N 1 0 324.468 3.759 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000155100307 1013207412 /nfs/dbraw/zinc/20/74/12/1013207412.db2.gz BOMQBHZMYOMHNH-LPHOPBHVSA-N 1 0 310.441 3.959 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000894431156 1013358440 /nfs/dbraw/zinc/35/84/40/1013358440.db2.gz NQJONHXJOVQTBP-AAEUAGOBSA-N 1 0 317.351 3.872 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000894887584 1013625763 /nfs/dbraw/zinc/62/57/63/1013625763.db2.gz GNSYEHCUMXPHCN-AAEUAGOBSA-N 1 0 317.351 3.872 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc2ccccc2o1 ZINC000189088356 1013907159 /nfs/dbraw/zinc/90/71/59/1013907159.db2.gz DKARAZAATFBYCZ-NSHDSACASA-N 1 0 311.337 3.718 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1C ZINC000398178141 1014312969 /nfs/dbraw/zinc/31/29/69/1014312969.db2.gz GWBVIQIFMJWJDD-YLJYHZDGSA-N 1 0 324.468 3.756 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000760040928 1014372288 /nfs/dbraw/zinc/37/22/88/1014372288.db2.gz MXFZPCAKLJBMAZ-KDOFPFPSSA-N 1 0 318.436 3.646 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000760040927 1014373889 /nfs/dbraw/zinc/37/38/89/1014373889.db2.gz MXFZPCAKLJBMAZ-KBXCAEBGSA-N 1 0 318.436 3.646 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000276041772 1014587371 /nfs/dbraw/zinc/58/73/71/1014587371.db2.gz SSTNCQRYUSFSBV-LJQANCHMSA-N 1 0 311.425 3.652 20 10 DHCDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1O ZINC000783504622 1014690342 /nfs/dbraw/zinc/69/03/42/1014690342.db2.gz HRXSXRXBTOZDQN-ZIAGYGMSSA-N 1 0 313.397 3.793 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000895639883 1015239884 /nfs/dbraw/zinc/23/98/84/1015239884.db2.gz MWCPPEYTZZKHIT-INIZCTEOSA-N 1 0 313.397 3.713 20 10 DHCDRO Cc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)ccc1N(C)C ZINC000294685082 1032115087 /nfs/dbraw/zinc/11/50/87/1032115087.db2.gz SUBDDTHZMDAEJP-CQSZACIVSA-N 1 0 303.475 3.753 20 10 DHCDRO COc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)c(O)c1OC ZINC000891525545 1015353660 /nfs/dbraw/zinc/35/36/60/1015353660.db2.gz WDEXSDPCDSZIPC-LLVKDONJSA-N 1 0 319.426 3.590 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cn(C)nc2C2CC2)C2CC2)cc1 ZINC000891595590 1015434487 /nfs/dbraw/zinc/43/44/87/1015434487.db2.gz AKWHSQDOTYSUEE-UHFFFAOYSA-N 1 0 324.472 3.528 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2nc3c(s2)CCC3)cc1Cl ZINC000896288107 1015537629 /nfs/dbraw/zinc/53/76/29/1015537629.db2.gz VGMCXGZJVDATAZ-UHFFFAOYSA-N 1 0 308.834 3.589 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000896316366 1015548601 /nfs/dbraw/zinc/54/86/01/1015548601.db2.gz BPEAOOSZSVYLRU-UHFFFAOYSA-N 1 0 321.424 3.605 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1cc(F)ccc1OC ZINC000896688231 1015704429 /nfs/dbraw/zinc/70/44/29/1015704429.db2.gz ITUUIIDHRKVWJZ-MRXNPFEDSA-N 1 0 319.376 3.789 20 10 DHCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234236 1016090547 /nfs/dbraw/zinc/09/05/47/1016090547.db2.gz MPBFERVZEQOQAA-YNEHKIRRSA-N 1 0 302.422 3.744 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001167549219 1016385520 /nfs/dbraw/zinc/38/55/20/1016385520.db2.gz LCDYCRQJODBMIB-OAQYLSRUSA-N 1 0 324.468 3.943 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cc(C)ccc2OC)c1 ZINC000184900398 1016433298 /nfs/dbraw/zinc/43/32/98/1016433298.db2.gz HNAKVZHDLMPSHM-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000184968009 1016469674 /nfs/dbraw/zinc/46/96/74/1016469674.db2.gz CTMZPONAVIWFSS-MRXNPFEDSA-N 1 0 321.424 3.780 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091460 1016549373 /nfs/dbraw/zinc/54/93/73/1016549373.db2.gz UOSSCFAWVAQHKS-WMZOPIPTSA-N 1 0 312.457 3.524 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1cc(Br)ccc1O ZINC000311096356 1036886641 /nfs/dbraw/zinc/88/66/41/1036886641.db2.gz SGHATIXTWZCLAS-GXFFZTMASA-N 1 0 316.239 3.620 20 10 DHCDRO COc1ccc(CCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185095186 1016547348 /nfs/dbraw/zinc/54/73/48/1016547348.db2.gz NZIVWIOGIQLPJL-CYBMUJFWSA-N 1 0 303.377 3.823 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185143736 1016639783 /nfs/dbraw/zinc/63/97/83/1016639783.db2.gz QJFUWGKLIRSMSM-ZDUSSCGKSA-N 1 0 318.392 3.956 20 10 DHCDRO CSc1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000072629632 1016731699 /nfs/dbraw/zinc/73/16/99/1016731699.db2.gz NFSJXZGRHCTRHT-UHFFFAOYSA-N 1 0 303.427 3.625 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185370295 1016883343 /nfs/dbraw/zinc/88/33/43/1016883343.db2.gz VZOSCJCTCZNXGF-CRAIPNDOSA-N 1 0 321.420 3.800 20 10 DHCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185419101 1016907236 /nfs/dbraw/zinc/90/72/36/1016907236.db2.gz IGCDJDAILPEXLD-NRFANRHFSA-N 1 0 319.404 3.882 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000113338725 1016905808 /nfs/dbraw/zinc/90/58/08/1016905808.db2.gz SQXVBPHVHGDMSE-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc2c(cc1O)CCCC2 ZINC000185534748 1016978924 /nfs/dbraw/zinc/97/89/24/1016978924.db2.gz MDWSTJKONDVFJQ-SRRFXAJZSA-N 1 0 315.457 3.735 20 10 DHCDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1cc2c(cc1O)CCCC2 ZINC000185537502 1016992117 /nfs/dbraw/zinc/99/21/17/1016992117.db2.gz SXWAEJVWAGMBSR-AWEZNQCLSA-N 1 0 305.462 3.720 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185605893 1017050072 /nfs/dbraw/zinc/05/00/72/1017050072.db2.gz QXTTXXYKEOFBDP-CABCVRRESA-N 1 0 305.462 3.720 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCc1ccc(C)nc1 ZINC000475197616 1017067996 /nfs/dbraw/zinc/06/79/96/1017067996.db2.gz NCUCLKDTSKHAIE-UHFFFAOYSA-N 1 0 307.441 3.913 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000192809107 1017066861 /nfs/dbraw/zinc/06/68/61/1017066861.db2.gz FLOIBBAPTAQRGH-NEPJUHHUSA-N 1 0 319.376 3.960 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772976543 1032237375 /nfs/dbraw/zinc/23/73/75/1032237375.db2.gz LZCJOAIUMXROKW-KBPBESRZSA-N 1 0 322.880 3.873 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1F ZINC000840876820 1017251972 /nfs/dbraw/zinc/25/19/72/1017251972.db2.gz ZVVWBXHCGBFVHL-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO Cc1cc(NCc2ccccc2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322898715 1032252637 /nfs/dbraw/zinc/25/26/37/1032252637.db2.gz CFRYMDLZXFDMON-UHFFFAOYSA-N 1 0 309.325 3.769 20 10 DHCDRO COC/C(C)=C/C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184129 1032440186 /nfs/dbraw/zinc/44/01/86/1032440186.db2.gz BSMKDXVGKRCEDX-GZTJUZNOSA-N 1 0 302.462 3.701 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000282730057 1032465949 /nfs/dbraw/zinc/46/59/49/1032465949.db2.gz MNEHYPWWHRJNHF-CRAIPNDOSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000185672400 1017092594 /nfs/dbraw/zinc/09/25/94/1017092594.db2.gz LFPWNRPFOOXVEY-ZQIUZPCESA-N 1 0 314.473 3.547 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1O ZINC001171345632 1032507786 /nfs/dbraw/zinc/50/77/86/1032507786.db2.gz LSOMURQLJQKYOT-FZMZJTMJSA-N 1 0 303.352 3.879 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1N(C)C ZINC000773001424 1032519400 /nfs/dbraw/zinc/51/94/00/1032519400.db2.gz SDTKQEOIJFJWIK-MRXNPFEDSA-N 1 0 311.473 3.978 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000773007453 1032521893 /nfs/dbraw/zinc/52/18/93/1032521893.db2.gz GHLNPWCUKQSPFB-LIRRHRJNSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000773007451 1032522497 /nfs/dbraw/zinc/52/24/97/1032522497.db2.gz GHLNPWCUKQSPFB-IFXJQAMLSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000773047381 1032540336 /nfs/dbraw/zinc/54/03/36/1032540336.db2.gz OZCACMZXGPZNNK-GOSISDBHSA-N 1 0 304.478 3.736 20 10 DHCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773052204 1032542812 /nfs/dbraw/zinc/54/28/12/1032542812.db2.gz WZIYGHHGYXCXPS-CZUORRHYSA-N 1 0 304.459 3.507 20 10 DHCDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000773073681 1032550063 /nfs/dbraw/zinc/55/00/63/1032550063.db2.gz ZWJFJLBEMRCJMC-QGZVFWFLSA-N 1 0 316.489 3.880 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773103488 1032559500 /nfs/dbraw/zinc/55/95/00/1032559500.db2.gz JLNJVWIGNLZNBA-WMLDXEAASA-N 1 0 320.452 3.628 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(N(C)C)cc1 ZINC000773104122 1032560288 /nfs/dbraw/zinc/56/02/88/1032560288.db2.gz FNUAGANZFRWWPM-QZTJIDSGSA-N 1 0 306.494 3.836 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192850992 1017107701 /nfs/dbraw/zinc/10/77/01/1017107701.db2.gz USTVVTIGGXDYLL-STQMWFEESA-N 1 0 313.401 3.603 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877709780 1033419768 /nfs/dbraw/zinc/41/97/68/1033419768.db2.gz IFDSPFXENAFICY-DYVFJYSZSA-N 1 0 309.837 3.649 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000716184168 1032646402 /nfs/dbraw/zinc/64/64/02/1032646402.db2.gz AILNXHGXEUHGBM-UHFFFAOYSA-N 1 0 310.441 3.590 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000154473580 1012737712 /nfs/dbraw/zinc/73/77/12/1012737712.db2.gz YBHKPTXLYDUATA-CABCVRRESA-N 1 0 316.470 3.997 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccnnc1 ZINC000925011131 1012764627 /nfs/dbraw/zinc/76/46/27/1012764627.db2.gz KSOXCBMHDJLMSQ-INIZCTEOSA-N 1 0 310.445 3.564 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000840880206 1017299838 /nfs/dbraw/zinc/29/98/38/1017299838.db2.gz JHSHYCBEAAWSFE-CRAIPNDOSA-N 1 0 317.404 3.657 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000716294596 1032691587 /nfs/dbraw/zinc/69/15/87/1032691587.db2.gz WCHXPTJJMFRVTQ-SJLPKXTDSA-N 1 0 310.441 3.626 20 10 DHCDRO c1csc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000076892990 1017427598 /nfs/dbraw/zinc/42/75/98/1017427598.db2.gz DHUKCWQMCQCTDO-UHFFFAOYSA-N 1 0 315.486 3.856 20 10 DHCDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840939730 1017516080 /nfs/dbraw/zinc/51/60/80/1017516080.db2.gz PBTKYOVSRPMWEU-CYBMUJFWSA-N 1 0 303.475 3.719 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H](CO)CC(C)(C)C ZINC001117789897 1017764555 /nfs/dbraw/zinc/76/45/55/1017764555.db2.gz RSEOGUWZAOZRQE-SFHVURJKSA-N 1 0 304.478 3.516 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCSCC1 ZINC000186996698 1017766119 /nfs/dbraw/zinc/76/61/19/1017766119.db2.gz DBYFVEYFIAGCAC-OAHLLOKOSA-N 1 0 304.503 3.908 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161443496 1017828140 /nfs/dbraw/zinc/82/81/40/1017828140.db2.gz XUUMYORRNINVGX-LPHOPBHVSA-N 1 0 312.457 3.569 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1 ZINC000186148917 1017959293 /nfs/dbraw/zinc/95/92/93/1017959293.db2.gz WVIFJNOCOJCKNL-CQSZACIVSA-N 1 0 323.396 3.644 20 10 DHCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701061504 1017997669 /nfs/dbraw/zinc/99/76/69/1017997669.db2.gz YSVXDIANKAFKOW-NEPJUHHUSA-N 1 0 316.264 3.528 20 10 DHCDRO CCSCC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701056875 1017994795 /nfs/dbraw/zinc/99/47/95/1017994795.db2.gz KKLZHOJNWIHYDO-JTQLQIEISA-N 1 0 318.280 3.776 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000701921666 1018122459 /nfs/dbraw/zinc/12/24/59/1018122459.db2.gz ZKZKSQXBIYFDIH-ZIAGYGMSSA-N 1 0 322.449 3.607 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CC1(C)C ZINC000785426258 1018198660 /nfs/dbraw/zinc/19/86/60/1018198660.db2.gz LXCXYVRPMZKJSY-PBHICJAKSA-N 1 0 304.503 3.764 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702825123 1018242447 /nfs/dbraw/zinc/24/24/47/1018242447.db2.gz XVIARJQPNYTUPI-UHFFFAOYSA-N 1 0 320.177 3.776 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000263713654 1032758644 /nfs/dbraw/zinc/75/86/44/1032758644.db2.gz VANOLNLUKSQHEP-UHFFFAOYSA-N 1 0 314.429 3.537 20 10 DHCDRO C[C@H]([NH2+]CCC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764745348 1018360360 /nfs/dbraw/zinc/36/03/60/1018360360.db2.gz LYTGIHJRAGWFSH-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N(C)CC)cc1)N1CCCC1 ZINC000764868805 1018408835 /nfs/dbraw/zinc/40/88/35/1018408835.db2.gz JBQKSOCVNMNEBZ-SJLPKXTDSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCC1 ZINC000765117157 1018475376 /nfs/dbraw/zinc/47/53/76/1018475376.db2.gz BOEISAUANNZDRD-QLFBSQMISA-N 1 0 320.452 3.718 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CSc3ccccc32)c(O)c1 ZINC000735509117 1018476299 /nfs/dbraw/zinc/47/62/99/1018476299.db2.gz UZZSKVKLWVKTRF-OAHLLOKOSA-N 1 0 301.411 3.728 20 10 DHCDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000765099354 1018476355 /nfs/dbraw/zinc/47/63/55/1018476355.db2.gz PDTDAWMFSBNCHV-OLZOCXBDSA-N 1 0 315.413 3.626 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cc(F)ccc1O ZINC000926918929 1032762942 /nfs/dbraw/zinc/76/29/42/1032762942.db2.gz JVUWNQHPSKGCQO-RYUDHWBXSA-N 1 0 301.361 3.706 20 10 DHCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298319 1018749965 /nfs/dbraw/zinc/74/99/65/1018749965.db2.gz UCIOETMOKQJMCK-ICSRJNTNSA-N 1 0 316.489 3.564 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000765334133 1018759736 /nfs/dbraw/zinc/75/97/36/1018759736.db2.gz KLTNHHQPALTVSV-NVXWUHKLSA-N 1 0 302.462 3.832 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000765334129 1018760313 /nfs/dbraw/zinc/76/03/13/1018760313.db2.gz KLTNHHQPALTVSV-DOTOQJQBSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000765394107 1018772092 /nfs/dbraw/zinc/77/20/92/1018772092.db2.gz NAUURNUPVFNLJW-KGLIPLIRSA-N 1 0 322.880 3.873 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCn2cnc3ccccc32)cc1 ZINC000765396876 1018773730 /nfs/dbraw/zinc/77/37/30/1018773730.db2.gz NYJMLWXNEKZDMJ-INIZCTEOSA-N 1 0 322.456 3.843 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000765433169 1018783544 /nfs/dbraw/zinc/78/35/44/1018783544.db2.gz XUWDWIQXQLXWDA-PKOBYXMFSA-N 1 0 310.441 3.797 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CCC1CC(F)(F)C1 ZINC000858175379 1032789981 /nfs/dbraw/zinc/78/99/81/1032789981.db2.gz MEUXFIPNNKIDTH-UHFFFAOYSA-N 1 0 320.177 3.680 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921528939 1018928126 /nfs/dbraw/zinc/92/81/26/1018928126.db2.gz WDUADYLGHOUPSO-GUDVDZBRSA-N 1 0 314.473 3.582 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1F ZINC000858192587 1032797313 /nfs/dbraw/zinc/79/73/13/1032797313.db2.gz NPVBJBKTFZRPRE-AWEZNQCLSA-N 1 0 304.331 3.556 20 10 DHCDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000765946207 1018957652 /nfs/dbraw/zinc/95/76/52/1018957652.db2.gz ONTIVJWSPCMQNG-CABCVRRESA-N 1 0 300.450 3.942 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC000825768615 1032798997 /nfs/dbraw/zinc/79/89/97/1032798997.db2.gz SMOPBSZSDQOOSD-CYBMUJFWSA-N 1 0 302.805 3.739 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001117040986 1018972848 /nfs/dbraw/zinc/97/28/48/1018972848.db2.gz ZIZZCWYNZWBVRU-KGLIPLIRSA-N 1 0 307.434 3.780 20 10 DHCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765950952 1019048615 /nfs/dbraw/zinc/04/86/15/1019048615.db2.gz FQQJIFKJLATALF-MRXNPFEDSA-N 1 0 302.462 3.633 20 10 DHCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134937536 1019052979 /nfs/dbraw/zinc/05/29/79/1019052979.db2.gz RMUCXVHSBKEZAA-IUCAKERBSA-N 1 0 304.253 3.557 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167137 1019100033 /nfs/dbraw/zinc/10/00/33/1019100033.db2.gz SFNBUTQWFHCCRZ-AOIWGVFYSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c1 ZINC000186159336 1019100103 /nfs/dbraw/zinc/10/01/03/1019100103.db2.gz MKDYRJBNOMOCSY-KXBFYZLASA-N 1 0 311.425 3.865 20 10 DHCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)nc1 ZINC000858241971 1032811952 /nfs/dbraw/zinc/81/19/52/1032811952.db2.gz LOXVQAPPOKGIKQ-UHFFFAOYSA-N 1 0 304.821 3.816 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000858238051 1032812057 /nfs/dbraw/zinc/81/20/57/1032812057.db2.gz SXFUQGMUIGUDLC-UHFFFAOYSA-N 1 0 315.413 3.536 20 10 DHCDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239319 1032812246 /nfs/dbraw/zinc/81/22/46/1032812246.db2.gz LRXDXHOOTKVRJP-RDJZCZTQSA-N 1 0 319.445 3.692 20 10 DHCDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239770 1032812742 /nfs/dbraw/zinc/81/27/42/1032812742.db2.gz SWMJZDGCDYCXSD-UHFFFAOYSA-N 1 0 321.424 3.793 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CCC2 ZINC000921981897 1019256215 /nfs/dbraw/zinc/25/62/15/1019256215.db2.gz WXPOXDHOALREBL-HNNXBMFYSA-N 1 0 314.454 3.944 20 10 DHCDRO CCCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000282324050 1019327218 /nfs/dbraw/zinc/32/72/18/1019327218.db2.gz AGVQTAGLLKHRLS-UHFFFAOYSA-N 1 0 301.434 3.545 20 10 DHCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281994 1032827894 /nfs/dbraw/zinc/82/78/94/1032827894.db2.gz CEZMZUFBAKRMJY-YIOZNXECSA-N 1 0 302.462 3.578 20 10 DHCDRO COc1cccc(C[NH2+]Cc2csc(C(F)(F)F)c2)c1O ZINC000858305407 1032834763 /nfs/dbraw/zinc/83/47/63/1032834763.db2.gz ZFNWPOUYKROHSC-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000091958295 1019497326 /nfs/dbraw/zinc/49/73/26/1019497326.db2.gz VTOHHIYIOVPTIC-ZBFHGGJFSA-N 1 0 321.804 3.727 20 10 DHCDRO COc1cncc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000858294715 1032836166 /nfs/dbraw/zinc/83/61/66/1032836166.db2.gz MPYHPNVNUMDCCA-UHFFFAOYSA-N 1 0 321.424 3.788 20 10 DHCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093838892 1019583823 /nfs/dbraw/zinc/58/38/23/1019583823.db2.gz OGONAHZNVUOLLK-MRXNPFEDSA-N 1 0 311.425 3.918 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccns2)cc1F ZINC000858316663 1032843202 /nfs/dbraw/zinc/84/32/02/1032843202.db2.gz GHVCJNBXCOIZPK-GFCCVEGCSA-N 1 0 307.438 3.979 20 10 DHCDRO Fc1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1F ZINC001118986912 1019645894 /nfs/dbraw/zinc/64/58/94/1019645894.db2.gz ZKRXEURBDVVIGX-UHFFFAOYSA-N 1 0 302.368 3.855 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000858317481 1032845129 /nfs/dbraw/zinc/84/51/29/1032845129.db2.gz PTHNLHVWBIDTAK-CQSZACIVSA-N 1 0 301.459 3.984 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000282222727 1019697329 /nfs/dbraw/zinc/69/73/29/1019697329.db2.gz IBXQLRBZXXBETG-VQIMIIECSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2CF)cc1 ZINC001171728985 1032847908 /nfs/dbraw/zinc/84/79/08/1032847908.db2.gz CVMXHHRGZJHNTP-UHFFFAOYSA-N 1 0 316.420 3.733 20 10 DHCDRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727429367 1019711617 /nfs/dbraw/zinc/71/16/17/1019711617.db2.gz JRSRSKVXTWJAGM-QVKFZJNVSA-N 1 0 323.436 3.843 20 10 DHCDRO Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001171773375 1032871563 /nfs/dbraw/zinc/87/15/63/1032871563.db2.gz KCIMBFFPSVXMHK-KRWDZBQOSA-N 1 0 310.416 3.683 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585327 1020143625 /nfs/dbraw/zinc/14/36/25/1020143625.db2.gz RMDNVDVGGZQKED-KKHYBRAUSA-N 1 0 307.441 3.902 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000765995300 1020204378 /nfs/dbraw/zinc/20/43/78/1020204378.db2.gz UFMYNQWGQZJFSZ-SUMWQHHRSA-N 1 0 322.880 3.788 20 10 DHCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783338 1032885292 /nfs/dbraw/zinc/88/52/92/1032885292.db2.gz OVFRWHCTESVHPG-QGZVFWFLSA-N 1 0 307.368 3.942 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000858426213 1032889961 /nfs/dbraw/zinc/88/99/61/1032889961.db2.gz NUEDEWOZKYBREE-FCEWJHQRSA-N 1 0 304.478 3.539 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCS[C@H](C)C3)CC2)cc1 ZINC000922836207 1020293038 /nfs/dbraw/zinc/29/30/38/1020293038.db2.gz BDIQSWVSIDQROX-GDBMZVCRSA-N 1 0 320.502 3.538 20 10 DHCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC000765808900 1020294028 /nfs/dbraw/zinc/29/40/28/1020294028.db2.gz LQVHCCQHHKPCNV-RBUKOAKNSA-N 1 0 316.489 3.969 20 10 DHCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000766006672 1020340427 /nfs/dbraw/zinc/34/04/27/1020340427.db2.gz OEALBLPBSNKNQF-LSDHHAIUSA-N 1 0 322.468 3.995 20 10 DHCDRO Cc1cccc(OCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733322868 1020370081 /nfs/dbraw/zinc/37/00/81/1020370081.db2.gz WILYQEVADFAUAW-UHFFFAOYSA-N 1 0 316.420 3.759 20 10 DHCDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325654 1020371367 /nfs/dbraw/zinc/37/13/67/1020371367.db2.gz ROUYDCFJQBOKJC-CYBMUJFWSA-N 1 0 304.384 3.752 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324856 1020371425 /nfs/dbraw/zinc/37/14/25/1020371425.db2.gz HETVVXBTKWEYPG-KDOFPFPSSA-N 1 0 308.441 3.577 20 10 DHCDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324858 1020371756 /nfs/dbraw/zinc/37/17/56/1020371756.db2.gz HETVVXBTKWEYPG-RDTXWAMCSA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733326086 1020373004 /nfs/dbraw/zinc/37/30/04/1020373004.db2.gz IDQGHFFMYZRAEK-OAHLLOKOSA-N 1 0 316.420 3.757 20 10 DHCDRO Cc1ccccc1OCCC[NH2+]Cc1c(O)cccc1Cl ZINC000733327905 1020374677 /nfs/dbraw/zinc/37/46/77/1020374677.db2.gz FLJSSXWCIWCDTF-UHFFFAOYSA-N 1 0 305.805 3.913 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000733331625 1020376258 /nfs/dbraw/zinc/37/62/58/1020376258.db2.gz FKFZTOWCPPJGNU-CQSZACIVSA-N 1 0 319.788 3.668 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000733613293 1020419200 /nfs/dbraw/zinc/41/92/00/1020419200.db2.gz JXKIHZGMAMPSFU-UHFFFAOYSA-N 1 0 313.401 3.597 20 10 DHCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825824514 1032904709 /nfs/dbraw/zinc/90/47/09/1032904709.db2.gz LZAVYFGNUZLPKT-UHFFFAOYSA-N 1 0 319.836 3.765 20 10 DHCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000282451019 1020517316 /nfs/dbraw/zinc/51/73/16/1020517316.db2.gz ZTKPCFSHRJDIJO-PKOBYXMFSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000765877000 1020538848 /nfs/dbraw/zinc/53/88/48/1020538848.db2.gz MLCOZAUTGTWIRU-IERDGZPVSA-N 1 0 324.468 3.627 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+][C@H](CO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000734164486 1020570320 /nfs/dbraw/zinc/57/03/20/1020570320.db2.gz NHUGLWKXACHAKK-QGZVFWFLSA-N 1 0 319.489 3.848 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2CSc3ccccc32)c1O ZINC000735508516 1020742041 /nfs/dbraw/zinc/74/20/41/1020742041.db2.gz CHRBFFPNWLUNDY-AWEZNQCLSA-N 1 0 301.411 3.728 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(N(C)C)cc1 ZINC000177806071 1020808807 /nfs/dbraw/zinc/80/88/07/1020808807.db2.gz WDKSMQKLQXBYST-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000177920853 1020854778 /nfs/dbraw/zinc/85/47/78/1020854778.db2.gz FQXXRJOBCBWOLU-HNNXBMFYSA-N 1 0 318.383 3.762 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000177931230 1020860236 /nfs/dbraw/zinc/86/02/36/1020860236.db2.gz VEOAKZRVGKKJCF-SJLPKXTDSA-N 1 0 302.462 3.897 20 10 DHCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000738298103 1020871313 /nfs/dbraw/zinc/87/13/13/1020871313.db2.gz BVJCUQWDPJOMIL-UHFFFAOYSA-N 1 0 324.468 3.506 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(C)cc1O ZINC000926960347 1032936863 /nfs/dbraw/zinc/93/68/63/1032936863.db2.gz FMCMECFMADWRJM-ZFWWWQNUSA-N 1 0 318.383 3.624 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541798 1032938623 /nfs/dbraw/zinc/93/86/23/1032938623.db2.gz DGVVREHSZZEVKR-OAHLLOKOSA-N 1 0 322.456 3.987 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000740005404 1020922712 /nfs/dbraw/zinc/92/27/12/1020922712.db2.gz BJENPSXVOOAVSD-LIRRHRJNSA-N 1 0 322.468 3.559 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC000825843203 1032941771 /nfs/dbraw/zinc/94/17/71/1032941771.db2.gz QJJPXMQANXAFLO-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001171943719 1032948308 /nfs/dbraw/zinc/94/83/08/1032948308.db2.gz FLUUXZYYSKDVPZ-UHFFFAOYSA-N 1 0 319.445 3.605 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CCC3CCCC3)CC2)cc1 ZINC000741781336 1021050352 /nfs/dbraw/zinc/05/03/52/1021050352.db2.gz ITJMTLLIHXHYFB-UHFFFAOYSA-N 1 0 302.462 3.788 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3cc(C)c(C)cc3O)CCC2)n1 ZINC000742369070 1021107619 /nfs/dbraw/zinc/10/76/19/1021107619.db2.gz VPEPURUWCNSTOH-UHFFFAOYSA-N 1 0 302.443 3.943 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCSC2)c(C)n1-c1cccc(C)c1 ZINC000742383040 1021109956 /nfs/dbraw/zinc/10/99/56/1021109956.db2.gz RVGFZHKIUQEOLU-QGZVFWFLSA-N 1 0 300.471 3.998 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCCC2 ZINC000742390856 1021110946 /nfs/dbraw/zinc/11/09/46/1021110946.db2.gz RKOPABCYHZGLOI-ROUUACIJSA-N 1 0 303.446 3.831 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C12CCC2 ZINC000742373398 1021114821 /nfs/dbraw/zinc/11/48/21/1021114821.db2.gz BIRRSCSRRPLGJV-MOPGFXCFSA-N 1 0 316.489 3.970 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1 ZINC000742378703 1021115341 /nfs/dbraw/zinc/11/53/41/1021115341.db2.gz KHGDLKQVKCSHGS-KRWDZBQOSA-N 1 0 313.489 3.982 20 10 DHCDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000742379470 1021116306 /nfs/dbraw/zinc/11/63/06/1021116306.db2.gz CJELPJCVBNYNJB-ZDUSSCGKSA-N 1 0 304.409 3.904 20 10 DHCDRO CO[C@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000858584999 1032958089 /nfs/dbraw/zinc/95/80/89/1032958089.db2.gz ZJQMUXLQDSNNTL-ZHALLVOQSA-N 1 0 311.425 3.833 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(F)ccc1O ZINC000376520329 1021214642 /nfs/dbraw/zinc/21/46/42/1021214642.db2.gz YIWGHDCPOBZVGE-GFCCVEGCSA-N 1 0 311.360 3.772 20 10 DHCDRO CCc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(C)C)cc1 ZINC000917392810 1021248527 /nfs/dbraw/zinc/24/85/27/1021248527.db2.gz NXEMNLAXOSPQDQ-HXUWFJFHSA-N 1 0 324.468 3.576 20 10 DHCDRO CC(C)[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743394845 1021280984 /nfs/dbraw/zinc/28/09/84/1021280984.db2.gz CTQYHQBSWVUXPH-MRXNPFEDSA-N 1 0 323.502 3.969 20 10 DHCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743396324 1021281577 /nfs/dbraw/zinc/28/15/77/1021281577.db2.gz ZCPCIWOUHOEPEI-KRWDZBQOSA-N 1 0 318.505 3.914 20 10 DHCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000850128481 1021422614 /nfs/dbraw/zinc/42/26/14/1021422614.db2.gz CLWYULHZRVORSP-HKUYNNGSSA-N 1 0 302.462 3.580 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCCSC2)c(O)c(C(C)(C)C)c1 ZINC000850172812 1021432450 /nfs/dbraw/zinc/43/24/50/1021432450.db2.gz KHMSFXXZIPLKRG-CYBMUJFWSA-N 1 0 309.475 3.684 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850229050 1021447538 /nfs/dbraw/zinc/44/75/38/1021447538.db2.gz QRKSXXKZBLSPLI-LBPRGKRZSA-N 1 0 302.418 3.877 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850227734 1021447597 /nfs/dbraw/zinc/44/75/97/1021447597.db2.gz YKAYFEAFZAMITP-CQSZACIVSA-N 1 0 321.461 3.746 20 10 DHCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000850327508 1021474322 /nfs/dbraw/zinc/47/43/22/1021474322.db2.gz GRFHEHGSAHNXMQ-CABCVRRESA-N 1 0 321.461 3.746 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000850345977 1021480645 /nfs/dbraw/zinc/48/06/45/1021480645.db2.gz AYEUPMNYLWSKGE-QGZVFWFLSA-N 1 0 321.424 3.545 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850374974 1021497595 /nfs/dbraw/zinc/49/75/95/1021497595.db2.gz OWQGLNBBXMELNF-KPDZFXRVSA-N 1 0 308.425 3.534 20 10 DHCDRO CCOCc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)ccc1OC ZINC000850380806 1021499210 /nfs/dbraw/zinc/49/92/10/1021499210.db2.gz MTNRBQYZGFZTPU-INIZCTEOSA-N 1 0 313.388 3.757 20 10 DHCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000850379213 1021499373 /nfs/dbraw/zinc/49/93/73/1021499373.db2.gz HXAPDXSZTLODLS-QFBILLFUSA-N 1 0 302.462 3.724 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C(C)(C)C3(F)F)CC2)cc1 ZINC000850394103 1021504777 /nfs/dbraw/zinc/50/47/77/1021504777.db2.gz LTKDKHPDGOOQTE-MRXNPFEDSA-N 1 0 324.415 3.545 20 10 DHCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406444 1021513356 /nfs/dbraw/zinc/51/33/56/1021513356.db2.gz GXJZQRPNPRTEOB-AEFFLSMTSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000850406616 1021513641 /nfs/dbraw/zinc/51/36/41/1021513641.db2.gz NHRDRNKHRDEHAU-SOLBZPMBSA-N 1 0 316.489 3.562 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000154721254 1021515366 /nfs/dbraw/zinc/51/53/66/1021515366.db2.gz RCFPOEHPUPTKSD-UHFFFAOYSA-N 1 0 324.380 3.597 20 10 DHCDRO CCOC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000850430156 1021528871 /nfs/dbraw/zinc/52/88/71/1021528871.db2.gz IVIGQUQISHOSRQ-UHFFFAOYSA-N 1 0 302.462 3.506 20 10 DHCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000850483182 1021558710 /nfs/dbraw/zinc/55/87/10/1021558710.db2.gz URZWPUZPHJRHNR-DOTOQJQBSA-N 1 0 302.462 3.895 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCC(F)(F)F)C2)cc1 ZINC000850487434 1021560643 /nfs/dbraw/zinc/56/06/43/1021560643.db2.gz GYTWYXIVTJEOKW-STQMWFEESA-N 1 0 316.367 3.595 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCC(F)(F)F)C2)cc1 ZINC000850487427 1021560785 /nfs/dbraw/zinc/56/07/85/1021560785.db2.gz GYTWYXIVTJEOKW-OLZOCXBDSA-N 1 0 316.367 3.595 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C2)cc1 ZINC000850489446 1021560853 /nfs/dbraw/zinc/56/08/53/1021560853.db2.gz UQLHLTHKQBRNGC-CABCVRRESA-N 1 0 322.518 3.784 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486768 1021561036 /nfs/dbraw/zinc/56/10/36/1021561036.db2.gz JYRMKXYEHHGCIN-GOEBONIOSA-N 1 0 314.429 3.835 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C(C)(C)C(F)F)C2)cc1 ZINC000850488828 1021561795 /nfs/dbraw/zinc/56/17/95/1021561795.db2.gz ULOLMYZGDFECGP-OLZOCXBDSA-N 1 0 312.404 3.543 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000850487738 1021561820 /nfs/dbraw/zinc/56/18/20/1021561820.db2.gz JDEZQZVKZJBSMX-CRAIPNDOSA-N 1 0 300.446 3.586 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1O ZINC000850501691 1021563709 /nfs/dbraw/zinc/56/37/09/1021563709.db2.gz PRPQQESNJCGXHV-KRWDZBQOSA-N 1 0 311.429 3.628 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000850504725 1021566646 /nfs/dbraw/zinc/56/66/46/1021566646.db2.gz DDKQROYHCSOMHQ-CQSZACIVSA-N 1 0 314.429 3.621 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C1(CO)CC1 ZINC000850514315 1021570059 /nfs/dbraw/zinc/57/00/59/1021570059.db2.gz DTEUWRJUWILVQP-DLBZAZTESA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1(CO)CC1 ZINC000850513718 1021570963 /nfs/dbraw/zinc/57/09/63/1021570963.db2.gz BNKSZOHULZLTGC-LSDHHAIUSA-N 1 0 320.452 3.628 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(OC)c1 ZINC000850514643 1021571320 /nfs/dbraw/zinc/57/13/20/1021571320.db2.gz ONAQCXPKDPIHGX-SJCJKPOMSA-N 1 0 319.376 3.578 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H](c3ccccc3)CO1)CC2 ZINC000850532329 1021588177 /nfs/dbraw/zinc/58/81/77/1021588177.db2.gz SOFQWXMVYJBXPH-OKZBNKHCSA-N 1 0 309.409 3.542 20 10 DHCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000892737742 1021589107 /nfs/dbraw/zinc/58/91/07/1021589107.db2.gz JUTOXWJJZUXVBL-UHFFFAOYSA-N 1 0 318.440 3.576 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1O ZINC000850535583 1021590084 /nfs/dbraw/zinc/59/00/84/1021590084.db2.gz XJQIOKUZSSPPJQ-SNVBAGLBSA-N 1 0 305.809 3.507 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000850539326 1021591896 /nfs/dbraw/zinc/59/18/96/1021591896.db2.gz RXNCXVVEDRFPLQ-HZPDHXFCSA-N 1 0 302.462 3.758 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850541734 1021595434 /nfs/dbraw/zinc/59/54/34/1021595434.db2.gz ZJPRMBJYJAXOFI-SZMVWBNQSA-N 1 0 313.445 3.578 20 10 DHCDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1O ZINC000850551417 1021599162 /nfs/dbraw/zinc/59/91/62/1021599162.db2.gz RSNALDNIIKSBGN-NSHDSACASA-N 1 0 319.836 3.897 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000850565878 1021608831 /nfs/dbraw/zinc/60/88/31/1021608831.db2.gz IWFDZIYLIVSKIZ-MRXNPFEDSA-N 1 0 316.489 3.706 20 10 DHCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565903 1021609271 /nfs/dbraw/zinc/60/92/71/1021609271.db2.gz JMGIGNHLISHLAJ-QGZVFWFLSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566941 1021611078 /nfs/dbraw/zinc/61/10/78/1021611078.db2.gz VACUVYULYFLWLW-IGOJGBNBSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2O ZINC000850569746 1021612442 /nfs/dbraw/zinc/61/24/42/1021612442.db2.gz ALEHUIDVSZDSPZ-ONGXEEELSA-N 1 0 313.463 3.865 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C2CCCCC2)c1 ZINC000850569501 1021612966 /nfs/dbraw/zinc/61/29/66/1021612966.db2.gz GOLPGMIGYJKIKO-UGSOOPFHSA-N 1 0 307.434 3.647 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2O ZINC000850569744 1021613156 /nfs/dbraw/zinc/61/31/56/1021613156.db2.gz ALEHUIDVSZDSPZ-KOLCDFICSA-N 1 0 313.463 3.865 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000850573056 1021617366 /nfs/dbraw/zinc/61/73/66/1021617366.db2.gz TZWNQFLKYTVPOW-CVEARBPZSA-N 1 0 312.461 3.822 20 10 DHCDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850579544 1021620389 /nfs/dbraw/zinc/62/03/89/1021620389.db2.gz WHBQGZIMQMSPLK-CYBMUJFWSA-N 1 0 306.425 3.502 20 10 DHCDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850579546 1021620541 /nfs/dbraw/zinc/62/05/41/1021620541.db2.gz WHBQGZIMQMSPLK-ZDUSSCGKSA-N 1 0 306.425 3.502 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584843 1021624690 /nfs/dbraw/zinc/62/46/90/1021624690.db2.gz UAAPSJMPHXLLPQ-FTRWYGJKSA-N 1 0 312.457 3.915 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@@H](C)c2ccccc2)c(O)c1OC ZINC000892816090 1021635048 /nfs/dbraw/zinc/63/50/48/1021635048.db2.gz NYKQKEMIPGIVOH-CQSZACIVSA-N 1 0 315.413 3.693 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000379646474 1021657438 /nfs/dbraw/zinc/65/74/38/1021657438.db2.gz JEYVYTQYAOOPBX-APWZRJJASA-N 1 0 310.441 3.535 20 10 DHCDRO CCCC[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CC[NH2+]1 ZINC001236141721 1021669473 /nfs/dbraw/zinc/66/94/73/1021669473.db2.gz KWQJGHFJULCNEY-LLVKDONJSA-N 1 0 317.260 3.663 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)c(O)c1OC ZINC000893005589 1021788612 /nfs/dbraw/zinc/78/86/12/1021788612.db2.gz WYVDWIMVIADJAL-AWEZNQCLSA-N 1 0 315.413 3.611 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000746054628 1021836856 /nfs/dbraw/zinc/83/68/56/1021836856.db2.gz VXLFPFSVAVIHIJ-LJQANCHMSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cccc(F)c2)c1 ZINC000183105803 1021992194 /nfs/dbraw/zinc/99/21/94/1021992194.db2.gz WUBZTSRSZSVXLN-ZDUSSCGKSA-N 1 0 303.377 3.823 20 10 DHCDRO CCn1c2ccccc2nc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000155177504 1022032034 /nfs/dbraw/zinc/03/20/34/1022032034.db2.gz KLNAWFGPADMFEP-UHFFFAOYSA-N 1 0 322.456 3.754 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000752264865 1022046867 /nfs/dbraw/zinc/04/68/67/1022046867.db2.gz GDIXZZOXJPQQBU-NEPJUHHUSA-N 1 0 317.351 3.859 20 10 DHCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766399703 1022092036 /nfs/dbraw/zinc/09/20/36/1022092036.db2.gz WNCNNRIZNCABMG-QFBILLFUSA-N 1 0 312.457 3.661 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)cc1 ZINC000766399218 1022092302 /nfs/dbraw/zinc/09/23/02/1022092302.db2.gz JMDDZMGNSZRNKT-UZLBHIALSA-N 1 0 312.457 3.835 20 10 DHCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766399700 1022092586 /nfs/dbraw/zinc/09/25/86/1022092586.db2.gz WNCNNRIZNCABMG-APWZRJJASA-N 1 0 312.457 3.661 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000920413816 1022116749 /nfs/dbraw/zinc/11/67/49/1022116749.db2.gz BHQIFXZQIRZYTR-LJQANCHMSA-N 1 0 304.478 3.972 20 10 DHCDRO Cc1cc(C[N@H+](C)CC2=CCCOC2)ccc1N1CCCCC1 ZINC000852515638 1022132136 /nfs/dbraw/zinc/13/21/36/1022132136.db2.gz BNMBIFBNGWTYPY-UHFFFAOYSA-N 1 0 314.473 3.764 20 10 DHCDRO COc1cc(Br)cc(C[N@H+](C(C)C)C2CC2)c1O ZINC000121325486 1022156832 /nfs/dbraw/zinc/15/68/32/1022156832.db2.gz UOLRSFIPQPNZHR-UHFFFAOYSA-N 1 0 314.223 3.536 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1O ZINC000183556566 1022189501 /nfs/dbraw/zinc/18/95/01/1022189501.db2.gz QUBLQUXQRGDIBP-XYJFISCASA-N 1 0 310.441 3.706 20 10 DHCDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183630817 1022226757 /nfs/dbraw/zinc/22/67/57/1022226757.db2.gz GGZPXQWBFAICBB-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCCF ZINC000853238772 1022239190 /nfs/dbraw/zinc/23/91/90/1022239190.db2.gz QIIDGIGDNVORCN-GOSISDBHSA-N 1 0 317.404 3.642 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853241633 1022241598 /nfs/dbraw/zinc/24/15/98/1022241598.db2.gz MCYYLTCRBCMQRR-NSHDSACASA-N 1 0 310.319 3.965 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1nccn1C ZINC000182501410 1022289512 /nfs/dbraw/zinc/28/95/12/1022289512.db2.gz PIWHADOLULLELK-QGZVFWFLSA-N 1 0 300.450 3.507 20 10 DHCDRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccccc3O)c21 ZINC000183716842 1022313344 /nfs/dbraw/zinc/31/33/44/1022313344.db2.gz ZOIYBFCMWULLTL-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756461544 1022398289 /nfs/dbraw/zinc/39/82/89/1022398289.db2.gz UPIGDTBFCDCQPR-SRCQZFHVSA-N 1 0 315.388 3.711 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854226875 1022434798 /nfs/dbraw/zinc/43/47/98/1022434798.db2.gz SAPLXXPYHGINED-QLJPJBMISA-N 1 0 302.805 3.966 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccnc(F)c2)cc1 ZINC000859059682 1033057158 /nfs/dbraw/zinc/05/71/58/1033057158.db2.gz IMYSLOUDNDEEEI-UHFFFAOYSA-N 1 0 301.409 3.699 20 10 DHCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000179608794 1022489204 /nfs/dbraw/zinc/48/92/04/1022489204.db2.gz ZPPSYTZDABZFAV-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112380385 1022500183 /nfs/dbraw/zinc/50/01/83/1022500183.db2.gz UXGUNVURRFDMSU-APWZRJJASA-N 1 0 304.478 3.564 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)Oc1ccccc1F ZINC000185576531 1022502770 /nfs/dbraw/zinc/50/27/70/1022502770.db2.gz KRPUMXYMGIKVOP-VXGBXAGGSA-N 1 0 307.340 3.789 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001169753953 1022530228 /nfs/dbraw/zinc/53/02/28/1022530228.db2.gz DZEPVAMZFZZSPS-VDZJLULYSA-N 1 0 303.446 3.952 20 10 DHCDRO C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000776766737 1022559027 /nfs/dbraw/zinc/55/90/27/1022559027.db2.gz NHZAYAKIEUWCNL-BETUJISGSA-N 1 0 315.413 3.626 20 10 DHCDRO CC(C)N(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236471266 1022614981 /nfs/dbraw/zinc/61/49/81/1022614981.db2.gz ZPDLVEKSLVQGQF-LLVKDONJSA-N 1 0 317.260 3.661 20 10 DHCDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000180068141 1022628914 /nfs/dbraw/zinc/62/89/14/1022628914.db2.gz PSAXJXIZGMFHEE-QWHCGFSZSA-N 1 0 307.434 3.808 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000180208133 1022669243 /nfs/dbraw/zinc/66/92/43/1022669243.db2.gz FWYQDZGPOVROMF-QGZVFWFLSA-N 1 0 300.377 3.608 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1OC ZINC000180370000 1022712916 /nfs/dbraw/zinc/71/29/16/1022712916.db2.gz DMYAEAOBLQELKL-KRWDZBQOSA-N 1 0 321.461 3.667 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1C ZINC000767418623 1022713788 /nfs/dbraw/zinc/71/37/88/1022713788.db2.gz ZOFIJSLRKHFMCX-UHFFFAOYSA-N 1 0 314.429 3.871 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc(Br)o2)cc1C ZINC000072040605 1022819019 /nfs/dbraw/zinc/81/90/19/1022819019.db2.gz OYAQJNYSPFLNAZ-UHFFFAOYSA-N 1 0 324.218 3.997 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000068973645 1022822082 /nfs/dbraw/zinc/82/20/82/1022822082.db2.gz IVOLNMIVJFBFOE-SFHVURJKSA-N 1 0 321.367 3.616 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000768137624 1022905353 /nfs/dbraw/zinc/90/53/53/1022905353.db2.gz PPUVAYGIGPUGKX-UHFFFAOYSA-N 1 0 311.425 3.856 20 10 DHCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768162392 1022908251 /nfs/dbraw/zinc/90/82/51/1022908251.db2.gz FAJYIVOMYMRVNG-UHFFFAOYSA-N 1 0 302.393 3.532 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2cc(OCC)ccc2O)cc1 ZINC000768162318 1022908372 /nfs/dbraw/zinc/90/83/72/1022908372.db2.gz AMAJJVJBCZJEJE-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C ZINC000768245409 1022938736 /nfs/dbraw/zinc/93/87/36/1022938736.db2.gz RVCJYWNIKKOFRE-FQEVSTJZSA-N 1 0 324.468 3.715 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000857064843 1022941033 /nfs/dbraw/zinc/94/10/33/1022941033.db2.gz DXKCOZDKQFUIPS-SECBINFHSA-N 1 0 324.635 3.728 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000768296668 1022943750 /nfs/dbraw/zinc/94/37/50/1022943750.db2.gz YHOAIOQBFICMHD-YSSFQJQWSA-N 1 0 316.489 3.999 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000857080593 1022944320 /nfs/dbraw/zinc/94/43/20/1022944320.db2.gz JESMDEOHNKSLEK-BDAKNGLRSA-N 1 0 320.177 3.851 20 10 DHCDRO CCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CCCCC1 ZINC000768442158 1022966947 /nfs/dbraw/zinc/96/69/47/1022966947.db2.gz JRYFEFUMWFKOJZ-GOSISDBHSA-N 1 0 319.445 3.610 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1OC ZINC000768440941 1022967822 /nfs/dbraw/zinc/96/78/22/1022967822.db2.gz BDTCXEYUKKRFMA-INIZCTEOSA-N 1 0 319.445 3.954 20 10 DHCDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464742 1022972001 /nfs/dbraw/zinc/97/20/01/1022972001.db2.gz TVBUPNFPPVOXCN-YJBOKZPZSA-N 1 0 319.445 3.609 20 10 DHCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768469241 1022975897 /nfs/dbraw/zinc/97/58/97/1022975897.db2.gz RSLNJVJOURPBGX-UHFFFAOYSA-N 1 0 319.408 3.715 20 10 DHCDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768542814 1022985036 /nfs/dbraw/zinc/98/50/36/1022985036.db2.gz ZUWJCGBPIOGCTL-HNNXBMFYSA-N 1 0 308.441 3.530 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1sccc1Br)CC2 ZINC000296268464 1023007456 /nfs/dbraw/zinc/00/74/56/1023007456.db2.gz BVWHPLQJNNULQD-NSHDSACASA-N 1 0 324.243 3.993 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1OC(F)(F)F ZINC000768872815 1023044702 /nfs/dbraw/zinc/04/47/02/1023044702.db2.gz IYZPGBGBOAFUGZ-UHFFFAOYSA-N 1 0 311.303 3.923 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC000768930133 1023059633 /nfs/dbraw/zinc/05/96/33/1023059633.db2.gz LKIYNRXJBQINSN-CQSZACIVSA-N 1 0 313.397 3.747 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000123782916 1023069335 /nfs/dbraw/zinc/06/93/35/1023069335.db2.gz IHCTXWNNHWDUKZ-HNNXBMFYSA-N 1 0 312.196 3.522 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC(C)(C)O1 ZINC000769100717 1023080736 /nfs/dbraw/zinc/08/07/36/1023080736.db2.gz OWKMUBPMBFWDNT-INIZCTEOSA-N 1 0 302.462 3.676 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000769074495 1023082765 /nfs/dbraw/zinc/08/27/65/1023082765.db2.gz MIAJASNEZNMHCG-NRFANRHFSA-N 1 0 324.468 3.670 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184779367 1023115595 /nfs/dbraw/zinc/11/55/95/1023115595.db2.gz XYWDKZXWSQYZQG-UHFFFAOYSA-N 1 0 307.397 3.675 20 10 DHCDRO CN(C)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769301830 1023115757 /nfs/dbraw/zinc/11/57/57/1023115757.db2.gz GKIHPVLBROELPI-LJQANCHMSA-N 1 0 310.441 3.585 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000769316595 1023120665 /nfs/dbraw/zinc/12/06/65/1023120665.db2.gz JSYBCYZMKVEXAL-SFHVURJKSA-N 1 0 324.424 3.818 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c1O ZINC000769317968 1023121228 /nfs/dbraw/zinc/12/12/28/1023121228.db2.gz CXTQEIGFBOLCPL-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769410663 1023142771 /nfs/dbraw/zinc/14/27/71/1023142771.db2.gz AIDGDMICWFKLRA-HOTGVXAUSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000769416619 1023145364 /nfs/dbraw/zinc/14/53/64/1023145364.db2.gz DJOBIQGHNLTRHC-HUUCEWRRSA-N 1 0 320.452 3.892 20 10 DHCDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769426687 1023146627 /nfs/dbraw/zinc/14/66/27/1023146627.db2.gz VPYAXSHZGCCXFF-SFHVURJKSA-N 1 0 320.452 3.673 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000769425057 1023146897 /nfs/dbraw/zinc/14/68/97/1023146897.db2.gz OEFNSPQUYRZTDO-GFCCVEGCSA-N 1 0 301.361 3.659 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000769427338 1023147125 /nfs/dbraw/zinc/14/71/25/1023147125.db2.gz VVPAIQZFEZJRRS-NRFANRHFSA-N 1 0 324.468 3.625 20 10 DHCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769463926 1023159323 /nfs/dbraw/zinc/15/93/23/1023159323.db2.gz SZSDEERWJCPMTI-KRWDZBQOSA-N 1 0 302.462 3.535 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000769499963 1023166547 /nfs/dbraw/zinc/16/65/47/1023166547.db2.gz YAADKMRHWLUSCP-RDJZCZTQSA-N 1 0 307.459 3.651 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000769531783 1023173805 /nfs/dbraw/zinc/17/38/05/1023173805.db2.gz XFXUHHINPPQDIH-UHFFFAOYSA-N 1 0 309.768 3.825 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000769533213 1023174387 /nfs/dbraw/zinc/17/43/87/1023174387.db2.gz PLKKOIUDDFWSNU-FQEVSTJZSA-N 1 0 316.489 3.925 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769557907 1023179177 /nfs/dbraw/zinc/17/91/77/1023179177.db2.gz DGCLDQKCUUQDJM-GFCCVEGCSA-N 1 0 319.351 3.669 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769557910 1023179529 /nfs/dbraw/zinc/17/95/29/1023179529.db2.gz DGCLDQKCUUQDJM-LBPRGKRZSA-N 1 0 319.351 3.669 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000769929613 1023249251 /nfs/dbraw/zinc/24/92/51/1023249251.db2.gz DQZPHLFNAZOJOM-OXJNMPFZSA-N 1 0 312.457 3.790 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000769930963 1023251091 /nfs/dbraw/zinc/25/10/91/1023251091.db2.gz RCXFMGVATDYVCE-FZKQIMNGSA-N 1 0 318.848 3.827 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986275 1023256273 /nfs/dbraw/zinc/25/62/73/1023256273.db2.gz HRLNLHSZNDWPLM-YVEFUNNKSA-N 1 0 317.454 3.717 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000770287030 1023291238 /nfs/dbraw/zinc/29/12/38/1023291238.db2.gz UNFSLUYLDZQNQI-WMZOPIPTSA-N 1 0 320.452 3.673 20 10 DHCDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000770510034 1023316382 /nfs/dbraw/zinc/31/63/82/1023316382.db2.gz VURWMPZSMLUGSI-APWZRJJASA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000770669975 1023335870 /nfs/dbraw/zinc/33/58/70/1023335870.db2.gz XPOLEVSYVYDCFW-UHFFFAOYSA-N 1 0 310.441 3.859 20 10 DHCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C)cccc1O)CCC2 ZINC000876730973 1033129790 /nfs/dbraw/zinc/12/97/90/1033129790.db2.gz CMGKVQWECTXZOO-HNNXBMFYSA-N 1 0 302.443 3.975 20 10 DHCDRO CC[C@H](C)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771842446 1023473763 /nfs/dbraw/zinc/47/37/63/1023473763.db2.gz NQFTZQGIDYRAIH-UONOGXRCSA-N 1 0 312.404 3.893 20 10 DHCDRO CC[C@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000771823502 1023477099 /nfs/dbraw/zinc/47/70/99/1023477099.db2.gz GCRJZRZWGKFCPX-RRFJBIMHSA-N 1 0 308.441 3.575 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000771875468 1023479308 /nfs/dbraw/zinc/47/93/08/1023479308.db2.gz VBEILJDGGBEQDF-QUCCMNQESA-N 1 0 311.425 3.871 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000771934894 1023489928 /nfs/dbraw/zinc/48/99/28/1023489928.db2.gz GHOMIQDTPDOAPN-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO OCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000771934041 1023489981 /nfs/dbraw/zinc/48/99/81/1023489981.db2.gz SNNWLMCJYSDLHU-UHFFFAOYSA-N 1 0 316.489 3.804 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(O)c1 ZINC000876771040 1033140251 /nfs/dbraw/zinc/14/02/51/1033140251.db2.gz UBBHYIPDRKTUBN-SFHVURJKSA-N 1 0 311.425 3.739 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000876775745 1033140278 /nfs/dbraw/zinc/14/02/78/1033140278.db2.gz FBXZEANCMVTBLN-UHFFFAOYSA-N 1 0 309.409 3.722 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1O ZINC000756762289 1023729068 /nfs/dbraw/zinc/72/90/68/1023729068.db2.gz XGPPRUFSFAMODA-LLVKDONJSA-N 1 0 303.789 3.927 20 10 DHCDRO CO[C@H](CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000786949077 1023740225 /nfs/dbraw/zinc/74/02/25/1023740225.db2.gz IBRWXVIYNHEAJC-MKPLZMMCSA-N 1 0 321.314 3.637 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1C ZINC000746667148 1023781577 /nfs/dbraw/zinc/78/15/77/1023781577.db2.gz VYLFOESSODUTEQ-IBGZPJMESA-N 1 0 317.404 3.785 20 10 DHCDRO Cc1ccccc1C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000746712634 1023830514 /nfs/dbraw/zinc/83/05/14/1023830514.db2.gz OVKBHIANLFUNJZ-UHFFFAOYSA-N 1 0 311.381 3.594 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796703408 1023855528 /nfs/dbraw/zinc/85/55/28/1023855528.db2.gz UMAALJQJOMPTIG-WMZOPIPTSA-N 1 0 303.377 3.614 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000788259700 1023865595 /nfs/dbraw/zinc/86/55/95/1023865595.db2.gz OQKJXCOKLSJBIQ-WFASDCNBSA-N 1 0 321.852 3.870 20 10 DHCDRO C[N@H+](CCC[C@@H]1CCOC1)Cc1ccc(N2CCCCC2)cc1 ZINC000788442320 1023893221 /nfs/dbraw/zinc/89/32/21/1023893221.db2.gz DJIYXMNGSFQZTD-LJQANCHMSA-N 1 0 316.489 3.925 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788503090 1023896018 /nfs/dbraw/zinc/89/60/18/1023896018.db2.gz LYDQQDBKZFOHFE-HKUYNNGSSA-N 1 0 324.468 3.934 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000788502817 1023896166 /nfs/dbraw/zinc/89/61/66/1023896166.db2.gz LDHYVIDBRBIGDE-CQSZACIVSA-N 1 0 313.397 3.631 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788506664 1023897682 /nfs/dbraw/zinc/89/76/82/1023897682.db2.gz XGSFVPYFMUZQOS-HNNXBMFYSA-N 1 0 301.821 3.578 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000788537859 1023901754 /nfs/dbraw/zinc/90/17/54/1023901754.db2.gz KLPHOAHAWXACCL-ZWKOTPCHSA-N 1 0 319.832 3.893 20 10 DHCDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000788610336 1023907829 /nfs/dbraw/zinc/90/78/29/1023907829.db2.gz LINNBMZEIGNJEZ-LBPRGKRZSA-N 1 0 309.837 3.639 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1F ZINC000788593438 1023910251 /nfs/dbraw/zinc/91/02/51/1023910251.db2.gz PRUXRVHOLGFQKP-KDOFPFPSSA-N 1 0 308.441 3.719 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c(O)c1 ZINC000788693334 1023921864 /nfs/dbraw/zinc/92/18/64/1023921864.db2.gz SFFNHEXSVAERGS-JKSUJKDBSA-N 1 0 305.462 3.848 20 10 DHCDRO CCc1cccc2cc(C[NH2+]Cc3cccc(OC)c3O)oc21 ZINC000825917310 1033172798 /nfs/dbraw/zinc/17/27/98/1033172798.db2.gz ZRVRWCOYTZZSQP-UHFFFAOYSA-N 1 0 311.381 3.999 20 10 DHCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788758851 1023929869 /nfs/dbraw/zinc/92/98/69/1023929869.db2.gz RNGAVFOYHJQDIT-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000788765363 1023931152 /nfs/dbraw/zinc/93/11/52/1023931152.db2.gz NIDSBUGRFCURAO-OXQOHEQNSA-N 1 0 313.441 3.957 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c(O)c1 ZINC000788815683 1023940075 /nfs/dbraw/zinc/94/00/75/1023940075.db2.gz PQWUOGJLHSJGEO-DOTOQJQBSA-N 1 0 305.462 3.848 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000788988488 1023960957 /nfs/dbraw/zinc/96/09/57/1023960957.db2.gz RGRXYKNOFYREDW-DFQSSKMNSA-N 1 0 316.489 3.746 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1F ZINC000788988505 1023961039 /nfs/dbraw/zinc/96/10/39/1023961039.db2.gz RLGQFHSSLWUMGI-JFIYKMOQSA-N 1 0 320.452 3.577 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876895846 1033178581 /nfs/dbraw/zinc/17/85/81/1033178581.db2.gz MOMUOSCFNLNWIY-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1C(C)C ZINC000789544556 1024111878 /nfs/dbraw/zinc/11/18/78/1024111878.db2.gz HGHUOFXFSFYHFQ-LJQANCHMSA-N 1 0 303.446 3.827 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000876930501 1033187199 /nfs/dbraw/zinc/18/71/99/1033187199.db2.gz PKXULPNOKWGCAJ-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO COc1cccc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1O ZINC000789757363 1024157942 /nfs/dbraw/zinc/15/79/42/1024157942.db2.gz MXUORCLSISXORB-UHFFFAOYSA-N 1 0 315.388 3.862 20 10 DHCDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268819478 1024169775 /nfs/dbraw/zinc/16/97/75/1024169775.db2.gz NJHRYXJVLYFOTO-SJORKVTESA-N 1 0 312.461 3.613 20 10 DHCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000268827996 1024172481 /nfs/dbraw/zinc/17/24/81/1024172481.db2.gz PYXUUKOSMUJSFU-AWEZNQCLSA-N 1 0 310.445 3.544 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC000876968798 1033194154 /nfs/dbraw/zinc/19/41/54/1033194154.db2.gz UBUDBNSEPAYECP-AZUAARDMSA-N 1 0 311.425 3.958 20 10 DHCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cc(C)cc(C)c1 ZINC000662523938 1024239984 /nfs/dbraw/zinc/23/99/84/1024239984.db2.gz RIJAFBXKAAJRRY-UHFFFAOYSA-N 1 0 308.425 3.616 20 10 DHCDRO CCCCOc1ncccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876986297 1033197526 /nfs/dbraw/zinc/19/75/26/1033197526.db2.gz BMHUUWBYGLPWKA-UHFFFAOYSA-N 1 0 300.402 3.564 20 10 DHCDRO CCSc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000883237016 1024310063 /nfs/dbraw/zinc/31/00/63/1024310063.db2.gz OXSMSGYIUPYKHK-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000883258673 1024328707 /nfs/dbraw/zinc/32/87/07/1024328707.db2.gz KQLMQGZVGODSPR-UHFFFAOYSA-N 1 0 313.397 3.577 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c(O)c1C ZINC000790700010 1024357792 /nfs/dbraw/zinc/35/77/92/1024357792.db2.gz APSYUAPZBKCLBD-HNAYVOBHSA-N 1 0 305.462 3.991 20 10 DHCDRO C[C@@](O)(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790988299 1024412195 /nfs/dbraw/zinc/41/21/95/1024412195.db2.gz MKLNQCBLKRGFKW-QGZVFWFLSA-N 1 0 323.795 3.572 20 10 DHCDRO c1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc2c1OCC2 ZINC000790996026 1024416074 /nfs/dbraw/zinc/41/60/74/1024416074.db2.gz UQZZQFNWZDGHJD-KRWDZBQOSA-N 1 0 301.430 3.593 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883387923 1024422791 /nfs/dbraw/zinc/42/27/91/1024422791.db2.gz IGLNHZUDLRTJKH-VQIMIIECSA-N 1 0 321.424 3.989 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883392374 1024425415 /nfs/dbraw/zinc/42/54/15/1024425415.db2.gz GLFPQBVQEUSFCC-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000271134850 1024459497 /nfs/dbraw/zinc/45/94/97/1024459497.db2.gz RBCMGHWYHKMRDB-UHFFFAOYSA-N 1 0 301.434 3.593 20 10 DHCDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271255089 1024478599 /nfs/dbraw/zinc/47/85/99/1024478599.db2.gz JKYFJPBRSGPZLY-BLLLJJGKSA-N 1 0 321.804 3.727 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1O ZINC000132802579 1024506975 /nfs/dbraw/zinc/50/69/75/1024506975.db2.gz MUYCQLVRGSSQJJ-SJLPKXTDSA-N 1 0 310.441 3.707 20 10 DHCDRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000271444496 1024507959 /nfs/dbraw/zinc/50/79/59/1024507959.db2.gz SOQUMUBQGXZZIW-QGZVFWFLSA-N 1 0 307.397 3.616 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(N2CCCCC2)cc1 ZINC000271514331 1024529115 /nfs/dbraw/zinc/52/91/15/1024529115.db2.gz NPKCERUFTYVCHO-DLBZAZTESA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000271587935 1024545297 /nfs/dbraw/zinc/54/52/97/1024545297.db2.gz XVYILHPOFZKALU-SOLBZPMBSA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166732467 1024640926 /nfs/dbraw/zinc/64/09/26/1024640926.db2.gz SAZHOFQAHBTWKF-DLBZAZTESA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1O ZINC000283478637 1024672571 /nfs/dbraw/zinc/67/25/71/1024672571.db2.gz WXUOIFIAMPCVJB-GUYCJALGSA-N 1 0 318.848 3.999 20 10 DHCDRO [O-]c1c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccc(F)c1F ZINC000877075766 1033228758 /nfs/dbraw/zinc/22/87/58/1033228758.db2.gz HAVIOKMPXOFELO-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO Cc1cc(C[NH2+]Cc2c(C)noc2C)c(C)n1-c1ccccc1 ZINC000321026505 1024697894 /nfs/dbraw/zinc/69/78/94/1024697894.db2.gz VVEHVENCIZUJCU-UHFFFAOYSA-N 1 0 309.413 3.989 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000318187608 1024699569 /nfs/dbraw/zinc/69/95/69/1024699569.db2.gz QRZAQYXXXXTKAI-ZDUSSCGKSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000877073315 1033230176 /nfs/dbraw/zinc/23/01/76/1033230176.db2.gz IEIZCXXNZRWVIH-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000800218562 1024743771 /nfs/dbraw/zinc/74/37/71/1024743771.db2.gz WMYITVDPHAOZJO-IEBWSBKVSA-N 1 0 309.457 3.964 20 10 DHCDRO CCOCC[N@H+](CC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792796032 1024794535 /nfs/dbraw/zinc/79/45/35/1024794535.db2.gz OEUSODSKKFJVGJ-UHFFFAOYSA-N 1 0 318.383 3.630 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792918756 1024839633 /nfs/dbraw/zinc/83/96/33/1024839633.db2.gz WOIMQOLTCJTMEC-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000747100428 1024885474 /nfs/dbraw/zinc/88/54/74/1024885474.db2.gz ZCMYZCKQXGPHSB-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000793232761 1024943577 /nfs/dbraw/zinc/94/35/77/1024943577.db2.gz NIJWKUJCLDFLER-LJQANCHMSA-N 1 0 313.441 3.828 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000793230088 1024945708 /nfs/dbraw/zinc/94/57/08/1024945708.db2.gz DXPOFWQOCXJKTC-ZWNOBZJWSA-N 1 0 303.324 3.564 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000793235308 1024952804 /nfs/dbraw/zinc/95/28/04/1024952804.db2.gz FVQFFAJGCPMNFE-WMZOPIPTSA-N 1 0 303.377 3.523 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000793238715 1024954885 /nfs/dbraw/zinc/95/48/85/1024954885.db2.gz JMMPFUORVAQAKQ-QUCCMNQESA-N 1 0 311.425 3.613 20 10 DHCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877133339 1033248292 /nfs/dbraw/zinc/24/82/92/1033248292.db2.gz FJYMVZKNLHZJMK-KUHUBIRLSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793353281 1024997112 /nfs/dbraw/zinc/99/71/12/1024997112.db2.gz QYVJAVHJKUKSCO-HOCLYGCPSA-N 1 0 315.388 3.966 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000793350768 1025021129 /nfs/dbraw/zinc/02/11/29/1025021129.db2.gz HEUAUFPSMSWECG-YOEHRIQHSA-N 1 0 315.388 3.966 20 10 DHCDRO Oc1ccccc1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000134230847 1025028888 /nfs/dbraw/zinc/02/88/88/1025028888.db2.gz BEGXLYRCOAKTMF-UHFFFAOYSA-N 1 0 310.166 3.584 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c(O)c1 ZINC000793389491 1025030920 /nfs/dbraw/zinc/03/09/20/1025030920.db2.gz ZOXYJDCSLZJACE-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CCCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793388726 1025032045 /nfs/dbraw/zinc/03/20/45/1025032045.db2.gz SFAVYDZTWFDHDS-UHFFFAOYSA-N 1 0 315.413 3.870 20 10 DHCDRO COc1ncc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000793525239 1025075094 /nfs/dbraw/zinc/07/50/94/1025075094.db2.gz KCLAAMKAKLIXEC-NSHDSACASA-N 1 0 318.804 3.529 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000121300271 1025084770 /nfs/dbraw/zinc/08/47/70/1025084770.db2.gz UQUNWFKMDFAFKD-UHFFFAOYSA-N 1 0 316.470 3.525 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000793567445 1025104277 /nfs/dbraw/zinc/10/42/77/1025104277.db2.gz XRJSHORMVAZALW-HNNXBMFYSA-N 1 0 319.836 3.819 20 10 DHCDRO CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000230660462 1025135365 /nfs/dbraw/zinc/13/53/65/1025135365.db2.gz PQZFBVKSXCISMK-AWEZNQCLSA-N 1 0 322.449 3.608 20 10 DHCDRO C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1cc(F)ccc1O ZINC000321702598 1025171074 /nfs/dbraw/zinc/17/10/74/1025171074.db2.gz PQRZVQLKEMUNFD-ZDUSSCGKSA-N 1 0 318.392 3.645 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)c(O)c1 ZINC000877166960 1033264234 /nfs/dbraw/zinc/26/42/34/1033264234.db2.gz JMSHLVAASSQMIZ-MRXNPFEDSA-N 1 0 301.361 3.843 20 10 DHCDRO CC(C)OC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000135187101 1025192402 /nfs/dbraw/zinc/19/24/02/1025192402.db2.gz KHQLXSUTVSKQFL-UHFFFAOYSA-N 1 0 313.397 3.589 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1Cl ZINC000825944094 1033268789 /nfs/dbraw/zinc/26/87/89/1033268789.db2.gz PTUGXVYXMKRPPP-PIGZYNQJSA-N 1 0 303.789 3.966 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000123908927 1025311753 /nfs/dbraw/zinc/31/17/53/1025311753.db2.gz BLZUKWSYTGXBBN-AWEZNQCLSA-N 1 0 314.429 3.621 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000391414961 1025335678 /nfs/dbraw/zinc/33/56/78/1025335678.db2.gz ODUWIEMLVNCABR-UHFFFAOYSA-N 1 0 313.489 3.839 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)CC1 ZINC000885992136 1025431186 /nfs/dbraw/zinc/43/11/86/1025431186.db2.gz AVGOOKGJAQKWLP-CHWSQXEVSA-N 1 0 300.493 3.563 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C)cc1O ZINC000279923703 1025436439 /nfs/dbraw/zinc/43/64/39/1025436439.db2.gz AHUWXRBVYBNGRW-KRWDZBQOSA-N 1 0 309.413 3.632 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1Cl ZINC000825955175 1033283045 /nfs/dbraw/zinc/28/30/45/1033283045.db2.gz HNGMHTKYQBWRSF-KGLIPLIRSA-N 1 0 301.764 3.831 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC000236890984 1025449030 /nfs/dbraw/zinc/44/90/30/1025449030.db2.gz QOBPNCDUKFYTAM-ZWKOTPCHSA-N 1 0 302.462 3.580 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000126466947 1033284094 /nfs/dbraw/zinc/28/40/94/1033284094.db2.gz FTLWKOFSYOGDFZ-QGZVFWFLSA-N 1 0 300.833 3.663 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187831317 1025472095 /nfs/dbraw/zinc/47/20/95/1025472095.db2.gz PRWGOIHYRDLQNF-AOMKIAJQSA-N 1 0 324.534 3.512 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877337183 1033285156 /nfs/dbraw/zinc/28/51/56/1033285156.db2.gz RFYIDJALDBGNGD-IEBWSBKVSA-N 1 0 315.388 3.850 20 10 DHCDRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000321801224 1025658308 /nfs/dbraw/zinc/65/83/08/1025658308.db2.gz UELHDUFJVFXOJI-QZTJIDSGSA-N 1 0 316.489 3.829 20 10 DHCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236907250 1025724781 /nfs/dbraw/zinc/72/47/81/1025724781.db2.gz OLHQTSNYMACYRO-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886588726 1025726836 /nfs/dbraw/zinc/72/68/36/1025726836.db2.gz XXONVWGFNGYVCD-ILXRZTDVSA-N 1 0 320.452 3.835 20 10 DHCDRO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806137809 1025780276 /nfs/dbraw/zinc/78/02/76/1025780276.db2.gz OQWRKBBXEVZXHB-INIZCTEOSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141072 1025799949 /nfs/dbraw/zinc/79/99/49/1025799949.db2.gz FOZIFMJCQJCUJV-ZENOOKHLSA-N 1 0 310.869 3.959 20 10 DHCDRO COC1(C[C@@H](C)[NH2+]CCCSc2nccs2)CCC1 ZINC000759998277 1025906162 /nfs/dbraw/zinc/90/61/62/1025906162.db2.gz GPXRVQZAJUKWFM-GFCCVEGCSA-N 1 0 300.493 3.563 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2OC)c1 ZINC000897483808 1025910933 /nfs/dbraw/zinc/91/09/33/1025910933.db2.gz WDDOKZYKTYKMOQ-UHFFFAOYSA-N 1 0 321.804 3.743 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000886926495 1025985130 /nfs/dbraw/zinc/98/51/30/1025985130.db2.gz PUIPDJQXCXTIQA-QGZVFWFLSA-N 1 0 317.335 3.650 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCCC2 ZINC000236988229 1026007861 /nfs/dbraw/zinc/00/78/61/1026007861.db2.gz QIYKNGAEJWHXEZ-ROUUACIJSA-N 1 0 319.445 3.618 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000089512277 1026052369 /nfs/dbraw/zinc/05/23/69/1026052369.db2.gz GBVBCEXYTGCKEH-KRWDZBQOSA-N 1 0 313.401 3.902 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000089512278 1026053024 /nfs/dbraw/zinc/05/30/24/1026053024.db2.gz GBVBCEXYTGCKEH-QGZVFWFLSA-N 1 0 313.401 3.902 20 10 DHCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808444613 1026288392 /nfs/dbraw/zinc/28/83/92/1026288392.db2.gz PDNSPWNRRDHYLP-KZULUSFZSA-N 1 0 300.377 3.504 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1C ZINC000808445495 1026290573 /nfs/dbraw/zinc/29/05/73/1026290573.db2.gz CTDGZXZHOXOECL-QGZVFWFLSA-N 1 0 312.457 3.619 20 10 DHCDRO c1ccc([C@H]2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)cc1 ZINC000808451500 1026293011 /nfs/dbraw/zinc/29/30/11/1026293011.db2.gz QHOXMOUTXLJUOZ-UYAOXDASSA-N 1 0 309.409 3.631 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000808691188 1026349177 /nfs/dbraw/zinc/34/91/77/1026349177.db2.gz GBHLOBINCSAYDE-XJKSGUPXSA-N 1 0 319.832 3.608 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)N1CCCC1 ZINC000808675743 1026352742 /nfs/dbraw/zinc/35/27/42/1026352742.db2.gz QTCFFMUTUVQCPQ-ZFWWWQNUSA-N 1 0 310.869 3.879 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1O ZINC000808672229 1026354637 /nfs/dbraw/zinc/35/46/37/1026354637.db2.gz GZRGNOHGRAMXPH-NSHDSACASA-N 1 0 319.788 3.934 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c1O ZINC000808705410 1026357337 /nfs/dbraw/zinc/35/73/37/1026357337.db2.gz YUNXBSYBPOBJLS-CYBMUJFWSA-N 1 0 310.869 3.877 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](O)c1ccccc1 ZINC000808719407 1026364897 /nfs/dbraw/zinc/36/48/97/1026364897.db2.gz FIROLZHLGPIFDD-VAOGDNLBSA-N 1 0 315.388 3.791 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(O)c1C ZINC000808729597 1026369752 /nfs/dbraw/zinc/36/97/52/1026369752.db2.gz MNYKKPPXBBIJAU-CZUORRHYSA-N 1 0 315.388 3.802 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1O ZINC000808699081 1026372537 /nfs/dbraw/zinc/37/25/37/1026372537.db2.gz RUWIUFYYDHCHQN-SPGJAERMSA-N 1 0 309.837 3.818 20 10 DHCDRO CCOc1ccccc1C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000178862548 1026425577 /nfs/dbraw/zinc/42/55/77/1026425577.db2.gz IYXJBYQBOOARLS-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCCCc2nc(C)cs2)c1O ZINC000894220976 1026463594 /nfs/dbraw/zinc/46/35/94/1026463594.db2.gz SUTJLLKLTVIVMQ-UHFFFAOYSA-N 1 0 320.458 3.587 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCCc2cnccc2C)cc1 ZINC000809606850 1026561321 /nfs/dbraw/zinc/56/13/21/1026561321.db2.gz HJRRNWWJPAVTPK-UHFFFAOYSA-N 1 0 311.473 3.959 20 10 DHCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700204 1026586555 /nfs/dbraw/zinc/58/65/55/1026586555.db2.gz ACNVTONEKXUGKH-VXGBXAGGSA-N 1 0 315.816 3.700 20 10 DHCDRO COC[C@H](C)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731018 1026597552 /nfs/dbraw/zinc/59/75/52/1026597552.db2.gz AFUMDBWBMQCMDZ-MRXNPFEDSA-N 1 0 316.445 3.630 20 10 DHCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809702935 1026599223 /nfs/dbraw/zinc/59/92/23/1026599223.db2.gz KQAOZNGMESEDCY-QMTHXVAHSA-N 1 0 318.408 3.613 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000809712066 1026601045 /nfs/dbraw/zinc/60/10/45/1026601045.db2.gz AFUASVSTVMJTGV-UHFFFAOYSA-N 1 0 314.404 3.552 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758176 1026617463 /nfs/dbraw/zinc/61/74/63/1026617463.db2.gz FQUFZDJKFJHNDP-KGLIPLIRSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233231 1026617586 /nfs/dbraw/zinc/61/75/86/1026617586.db2.gz VJKQBTDPXAJNEY-GXTWGEPZSA-N 1 0 302.422 3.744 20 10 DHCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(C)cc1O ZINC000280282320 1026627027 /nfs/dbraw/zinc/62/70/27/1026627027.db2.gz YQPUYIWKHBEMDM-RDJZCZTQSA-N 1 0 305.443 3.711 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000809789997 1026627555 /nfs/dbraw/zinc/62/75/55/1026627555.db2.gz RQEOMIZPVSRXCN-UHFFFAOYSA-N 1 0 301.361 3.705 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C)cc1O ZINC000280276104 1026630092 /nfs/dbraw/zinc/63/00/92/1026630092.db2.gz YDUZBDOISCCHTK-HFTRVMKXSA-N 1 0 321.486 3.796 20 10 DHCDRO COc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1C ZINC000810171412 1026693159 /nfs/dbraw/zinc/69/31/59/1026693159.db2.gz XVYGRQPDFWYUKJ-SFHVURJKSA-N 1 0 317.454 3.643 20 10 DHCDRO CC[C@@H]([NH2+]CC1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810215090 1026708132 /nfs/dbraw/zinc/70/81/32/1026708132.db2.gz QLFBQBJNGNCUMZ-CQSZACIVSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237632 1026726054 /nfs/dbraw/zinc/72/60/54/1026726054.db2.gz DEMLQIPKZMEHBU-GFCCVEGCSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@H]([NH2+]Cc1csc(COC)n1)c1ccc(C)cc1O ZINC000810252432 1026729475 /nfs/dbraw/zinc/72/94/75/1026729475.db2.gz DNAWEYYLYAIQEX-AWEZNQCLSA-N 1 0 306.431 3.544 20 10 DHCDRO c1csc(SCCC[NH2+]CC2Cc3ccccc3C2)n1 ZINC000811482268 1027007334 /nfs/dbraw/zinc/00/73/34/1027007334.db2.gz VECNJZDGXATHGV-UHFFFAOYSA-N 1 0 304.484 3.630 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000811781551 1027083080 /nfs/dbraw/zinc/08/30/80/1027083080.db2.gz DRCFJARNXDTLMY-OAQYLSRUSA-N 1 0 323.436 3.979 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2-c2ccncc2)c1 ZINC000362239495 1027109063 /nfs/dbraw/zinc/10/90/63/1027109063.db2.gz QNKQLCKCKJQXPV-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@@H](C)OC ZINC000812303628 1027239216 /nfs/dbraw/zinc/23/92/16/1027239216.db2.gz QSNANJDTQDVIBZ-CYBMUJFWSA-N 1 0 309.450 3.555 20 10 DHCDRO Oc1ccc2c(c1)[C@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000812717266 1027373588 /nfs/dbraw/zinc/37/35/88/1027373588.db2.gz YUNOIOGBXDIFCF-OAHLLOKOSA-N 1 0 320.483 3.998 20 10 DHCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000812734254 1027379833 /nfs/dbraw/zinc/37/98/33/1027379833.db2.gz KCYYDFWHMQZONQ-DJJJIMSYSA-N 1 0 303.446 3.737 20 10 DHCDRO C[C@H]([NH2+]CCCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000812736494 1027380726 /nfs/dbraw/zinc/38/07/26/1027380726.db2.gz MUOJERYBXFTOEY-ZDUSSCGKSA-N 1 0 314.832 3.577 20 10 DHCDRO CC(C)(C)[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])c2ccccc21 ZINC000574766392 1027424765 /nfs/dbraw/zinc/42/47/65/1027424765.db2.gz KFKSUMJMAISRLU-GOSISDBHSA-N 1 0 322.452 3.978 20 10 DHCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000296238711 1027583408 /nfs/dbraw/zinc/58/34/08/1027583408.db2.gz ASQBCTCDADRXHO-NWDGAFQWSA-N 1 0 305.340 3.709 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000296281270 1027595548 /nfs/dbraw/zinc/59/55/48/1027595548.db2.gz CSOVIDMGOUYALT-HUUCEWRRSA-N 1 0 301.386 3.648 20 10 DHCDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331672 1027608825 /nfs/dbraw/zinc/60/88/25/1027608825.db2.gz QWPMJSUSNBZOJG-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000813330758 1027609390 /nfs/dbraw/zinc/60/93/90/1027609390.db2.gz GQXABGULGFQPIJ-CYBMUJFWSA-N 1 0 323.396 3.642 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(F)c1 ZINC000813334607 1027611960 /nfs/dbraw/zinc/61/19/60/1027611960.db2.gz RKNQTZQHRKHBHZ-UHFFFAOYSA-N 1 0 302.393 3.619 20 10 DHCDRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(C)c3)c21 ZINC000778126652 1027616240 /nfs/dbraw/zinc/61/62/40/1027616240.db2.gz PBYHDLWRDNWVGM-UHFFFAOYSA-N 1 0 324.424 3.826 20 10 DHCDRO OCc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000778944972 1027631246 /nfs/dbraw/zinc/63/12/46/1027631246.db2.gz ZRXLUJDYXYVJIM-UHFFFAOYSA-N 1 0 311.425 3.829 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)C3CCCC3)cc2)CC1 ZINC000296474682 1027648572 /nfs/dbraw/zinc/64/85/72/1027648572.db2.gz KCZZGLKGHRTEJR-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1C ZINC000813793666 1027713301 /nfs/dbraw/zinc/71/33/01/1027713301.db2.gz WYAKLALYCLRQNC-ACJLOTCBSA-N 1 0 317.454 3.857 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000778994227 1027730409 /nfs/dbraw/zinc/73/04/09/1027730409.db2.gz IMAJVOAZEVLTNO-UHFFFAOYSA-N 1 0 301.336 3.960 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1C ZINC000813861349 1027732657 /nfs/dbraw/zinc/73/26/57/1027732657.db2.gz RGUYQCZOWXDZHE-IGCXYCKISA-N 1 0 324.415 3.891 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876929 1027748424 /nfs/dbraw/zinc/74/84/24/1027748424.db2.gz DTNNKOZACMZYLR-IINYFYTJSA-N 1 0 319.276 3.937 20 10 DHCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000779001451 1027749213 /nfs/dbraw/zinc/74/92/13/1027749213.db2.gz DZVRXESVPUHIBI-QUCCMNQESA-N 1 0 311.425 3.992 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364580521 1027844916 /nfs/dbraw/zinc/84/49/16/1027844916.db2.gz OOHHIRMAEGQQAH-YYFZDKIDSA-N 1 0 311.425 3.647 20 10 DHCDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000779018904 1027850480 /nfs/dbraw/zinc/85/04/80/1027850480.db2.gz IZARIUYGGXOAFC-SFHVURJKSA-N 1 0 317.404 3.550 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000364621278 1027854552 /nfs/dbraw/zinc/85/45/52/1027854552.db2.gz GZMOAINFICAYMQ-QGZVFWFLSA-N 1 0 313.445 3.532 20 10 DHCDRO CCc1nc([C@H]2CCC[N@@H+]([C@H](CC)c3ccccc3O)C2)no1 ZINC000364624507 1027860097 /nfs/dbraw/zinc/86/00/97/1027860097.db2.gz SYFKONWGEGQECP-DZGCQCFKSA-N 1 0 315.417 3.668 20 10 DHCDRO CC[C@H]1CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814179007 1027913654 /nfs/dbraw/zinc/91/36/54/1027913654.db2.gz MRRUWAJXIRDLOE-HNNXBMFYSA-N 1 0 303.406 3.569 20 10 DHCDRO CCOc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC000814177757 1027915531 /nfs/dbraw/zinc/91/55/31/1027915531.db2.gz NXKZMPSQZZEPSR-CQSZACIVSA-N 1 0 313.397 3.574 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)OC)c1 ZINC000527923412 1027951648 /nfs/dbraw/zinc/95/16/48/1027951648.db2.gz CYKIBGHXPVKWTO-LIRRHRJNSA-N 1 0 315.413 3.748 20 10 DHCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365509494 1027957804 /nfs/dbraw/zinc/95/78/04/1027957804.db2.gz QJKRWEJDFVNQER-KFKAGJAMSA-N 1 0 311.425 3.791 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000814300053 1028002025 /nfs/dbraw/zinc/00/20/25/1028002025.db2.gz FXVBGXSVNYABLY-JCNLHEQBSA-N 1 0 315.388 3.966 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@H](c3cccnc3)C3CCC3)ccc21 ZINC000366476618 1028085320 /nfs/dbraw/zinc/08/53/20/1028085320.db2.gz XXDJCTMNRBBKTG-FQEVSTJZSA-N 1 0 307.441 3.705 20 10 DHCDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000780793966 1028183429 /nfs/dbraw/zinc/18/34/29/1028183429.db2.gz ZWXZOGOGVQBXGR-JSGCOSHPSA-N 1 0 300.368 3.915 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1Oc2ccccc2[C@H]1C ZINC000779087376 1028222376 /nfs/dbraw/zinc/22/23/76/1028222376.db2.gz LBDVSUILGPMSOF-SOZUMNATSA-N 1 0 301.361 3.574 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H]2COc3cccc(Cl)c32)c1O ZINC000367961592 1028266906 /nfs/dbraw/zinc/26/69/06/1028266906.db2.gz HREDVVXYVGFBKT-ZDUSSCGKSA-N 1 0 319.788 3.668 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000368028633 1028284718 /nfs/dbraw/zinc/28/47/18/1028284718.db2.gz FEDOFBLEAYHTFX-HNNXBMFYSA-N 1 0 317.458 3.512 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1N(C)C ZINC000815091549 1028344864 /nfs/dbraw/zinc/34/48/64/1028344864.db2.gz VIQPZSCNIKLXMY-YJBOKZPZSA-N 1 0 310.441 3.715 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1OCCc2sccc21 ZINC000368370189 1028345857 /nfs/dbraw/zinc/34/58/57/1028345857.db2.gz NPZLNDAGYSHHDP-HWPZZCPQSA-N 1 0 323.845 3.899 20 10 DHCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078640 1028352991 /nfs/dbraw/zinc/35/29/91/1028352991.db2.gz DUYHEHCWXIQLIA-GOSISDBHSA-N 1 0 312.461 3.738 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(O)c3Cl)ccc21 ZINC000815121493 1028367224 /nfs/dbraw/zinc/36/72/24/1028367224.db2.gz CEYSOTUDGCEBQO-UHFFFAOYSA-N 1 0 316.832 3.718 20 10 DHCDRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815118968 1028367574 /nfs/dbraw/zinc/36/75/74/1028367574.db2.gz NWROIWXOJDAMLI-OALUTQOASA-N 1 0 314.473 3.595 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(F)cc1[O-] ZINC000368586509 1028379497 /nfs/dbraw/zinc/37/94/97/1028379497.db2.gz YUKTZULHPCMAJE-GBNMTWHSSA-N 1 0 305.324 3.843 20 10 DHCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000815159145 1028385441 /nfs/dbraw/zinc/38/54/41/1028385441.db2.gz KAKNAYXOWQHAFU-QRWLVFNGSA-N 1 0 311.425 3.700 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000779154448 1028457363 /nfs/dbraw/zinc/45/73/63/1028457363.db2.gz SQIYBTPOSNMPKJ-QUCCMNQESA-N 1 0 316.489 3.660 20 10 DHCDRO COc1ccc(CC(C)(C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000188939899 1028540168 /nfs/dbraw/zinc/54/01/68/1028540168.db2.gz KOMRZSVRPJFOHW-UHFFFAOYSA-N 1 0 303.377 3.651 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000815564244 1028547002 /nfs/dbraw/zinc/54/70/02/1028547002.db2.gz CPACFJIPYWKJIY-WMZOPIPTSA-N 1 0 313.441 3.511 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c(O)c1 ZINC000815592613 1028558259 /nfs/dbraw/zinc/55/82/59/1028558259.db2.gz NFVRXQRYHCUOPC-DNVCBOLYSA-N 1 0 311.425 3.974 20 10 DHCDRO CCc1nc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000815573768 1028566311 /nfs/dbraw/zinc/56/63/11/1028566311.db2.gz SUPKBZUOWSITJK-ZDUSSCGKSA-N 1 0 304.459 3.921 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccc3)C2)cc1 ZINC000076360813 1028587035 /nfs/dbraw/zinc/58/70/35/1028587035.db2.gz CYRKHMSVYZUNIF-DLBZAZTESA-N 1 0 310.441 3.872 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1O ZINC000815643101 1028588961 /nfs/dbraw/zinc/58/89/61/1028588961.db2.gz UBRIETQJVUWASB-IINYFYTJSA-N 1 0 306.793 3.948 20 10 DHCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)c2ccccc21 ZINC000370372977 1028592453 /nfs/dbraw/zinc/59/24/53/1028592453.db2.gz GVFWJDOZOJKXSX-KBXCAEBGSA-N 1 0 324.424 3.849 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)F)c1O ZINC000815645637 1028593003 /nfs/dbraw/zinc/59/30/03/1028593003.db2.gz LTUNABUVFOAQKW-UWVGGRQHSA-N 1 0 304.203 3.862 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000370464900 1028605333 /nfs/dbraw/zinc/60/53/33/1028605333.db2.gz PKOFGVWVVSUJGJ-OAHLLOKOSA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000779188668 1028666393 /nfs/dbraw/zinc/66/63/93/1028666393.db2.gz WQYBXFAFCINOMA-INIZCTEOSA-N 1 0 309.837 3.745 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000372597051 1028873441 /nfs/dbraw/zinc/87/34/41/1028873441.db2.gz WOBCUEVFFHHXHI-GDBMZVCRSA-N 1 0 318.442 3.682 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597182 1028875401 /nfs/dbraw/zinc/87/54/01/1028875401.db2.gz XUJIVPPEFIDESN-FUHWJXTLSA-N 1 0 313.445 3.994 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000372597053 1028875600 /nfs/dbraw/zinc/87/56/00/1028875600.db2.gz WOBCUEVFFHHXHI-HOCLYGCPSA-N 1 0 318.442 3.682 20 10 DHCDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000372718251 1028887831 /nfs/dbraw/zinc/88/78/31/1028887831.db2.gz PQAQSQAHBVPDIE-CABCVRRESA-N 1 0 307.434 3.600 20 10 DHCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000816491529 1028898905 /nfs/dbraw/zinc/89/89/05/1028898905.db2.gz PDGZPJFROQWRBB-MRXNPFEDSA-N 1 0 323.396 3.616 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516531 1028918776 /nfs/dbraw/zinc/91/87/76/1028918776.db2.gz IQFPDLXOTFKEDW-KRWDZBQOSA-N 1 0 311.425 3.794 20 10 DHCDRO COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816529888 1028924722 /nfs/dbraw/zinc/92/47/22/1028924722.db2.gz LJVDKBSIEHDBPL-UHFFFAOYSA-N 1 0 307.393 3.886 20 10 DHCDRO Oc1c(C[NH2+]CCn2cnc3ccccc32)ccc2ccccc21 ZINC000816541569 1028926067 /nfs/dbraw/zinc/92/60/67/1028926067.db2.gz PMIIFPDUMMVMFC-UHFFFAOYSA-N 1 0 317.392 3.685 20 10 DHCDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccsc1 ZINC000816552793 1028941402 /nfs/dbraw/zinc/94/14/02/1028941402.db2.gz XFLNDNMRFUNUNQ-SFHVURJKSA-N 1 0 313.422 3.604 20 10 DHCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554429 1028942389 /nfs/dbraw/zinc/94/23/89/1028942389.db2.gz YFMKCMCBRAQENA-UHFFFAOYSA-N 1 0 301.430 3.824 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C12CCC2 ZINC000816551750 1028943181 /nfs/dbraw/zinc/94/31/81/1028943181.db2.gz NVAQXCIIVPEQSB-ROUUACIJSA-N 1 0 311.425 3.983 20 10 DHCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816560600 1028945176 /nfs/dbraw/zinc/94/51/76/1028945176.db2.gz UCRQEYPDQZKQTC-UHFFFAOYSA-N 1 0 323.440 3.618 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559263 1028945968 /nfs/dbraw/zinc/94/59/68/1028945968.db2.gz CSBHSAWMQNWVLS-GUYCJALGSA-N 1 0 311.381 3.740 20 10 DHCDRO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816608976 1028959624 /nfs/dbraw/zinc/95/96/24/1028959624.db2.gz OWBKSGCEXYNDHD-CRAIPNDOSA-N 1 0 310.441 3.604 20 10 DHCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816608167 1028961545 /nfs/dbraw/zinc/96/15/45/1028961545.db2.gz QZZZNHMPPIJFAR-FQEVSTJZSA-N 1 0 321.420 3.931 20 10 DHCDRO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816608977 1028961591 /nfs/dbraw/zinc/96/15/91/1028961591.db2.gz OWBKSGCEXYNDHD-MAUKXSAKSA-N 1 0 310.441 3.604 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817413574 1029152874 /nfs/dbraw/zinc/15/28/74/1029152874.db2.gz ZLMBCBZBKWFXEV-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000817418700 1029154660 /nfs/dbraw/zinc/15/46/60/1029154660.db2.gz CHBAJONWVSMAGO-SFHVURJKSA-N 1 0 316.489 3.661 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1Cl ZINC000817573615 1029202186 /nfs/dbraw/zinc/20/21/86/1029202186.db2.gz GHOXHBHQPIYRSC-LLVKDONJSA-N 1 0 307.800 3.791 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccc(N(C)C)cc1 ZINC000817584099 1029213125 /nfs/dbraw/zinc/21/31/25/1029213125.db2.gz RQYWSEPMSIZTMT-CRAIPNDOSA-N 1 0 309.457 3.746 20 10 DHCDRO CN(Cc1ccccc1O)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000374286344 1029271917 /nfs/dbraw/zinc/27/19/17/1029271917.db2.gz XPEKNXBRLYQVOS-GOSISDBHSA-N 1 0 323.371 3.543 20 10 DHCDRO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817939792 1029281834 /nfs/dbraw/zinc/28/18/34/1029281834.db2.gz CCFIVNUSLRPSLM-CYBMUJFWSA-N 1 0 317.260 3.739 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938942 1029282670 /nfs/dbraw/zinc/28/26/70/1029282670.db2.gz WAVHMPKXKBICCD-QRWLVFNGSA-N 1 0 311.473 3.666 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000817939089 1029283091 /nfs/dbraw/zinc/28/30/91/1029283091.db2.gz YRQUSQCUMPRSDS-UXHICEINSA-N 1 0 311.473 3.802 20 10 DHCDRO CC(C)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817941092 1029283127 /nfs/dbraw/zinc/28/31/27/1029283127.db2.gz IQPGBPGTWWDMBL-VQTJNVASSA-N 1 0 311.473 3.739 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817938619 1029284269 /nfs/dbraw/zinc/28/42/69/1029284269.db2.gz OMGHHVTXLJIEOJ-DYVFJYSZSA-N 1 0 317.502 3.727 20 10 DHCDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938503 1029284403 /nfs/dbraw/zinc/28/44/03/1029284403.db2.gz LTSSXHXXEBSJJO-OXQOHEQNSA-N 1 0 311.473 3.720 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945481 1029285863 /nfs/dbraw/zinc/28/58/63/1029285863.db2.gz DRWCCNKLWUYCLH-GWCFXTLKSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817942949 1029288669 /nfs/dbraw/zinc/28/86/69/1029288669.db2.gz SABKXNXJRUVSRP-RBUKOAKNSA-N 1 0 315.436 3.632 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947087 1029289994 /nfs/dbraw/zinc/28/99/94/1029289994.db2.gz JPWUPSDCCSTNFF-DCAQKATOSA-N 1 0 317.260 3.738 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC000817948384 1029291429 /nfs/dbraw/zinc/29/14/29/1029291429.db2.gz ZDQKPSIZNFFYRF-VWYCJHECSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954864 1029294080 /nfs/dbraw/zinc/29/40/80/1029294080.db2.gz LKMUIEMOEKLOKP-GWCFXTLKSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966979 1029308982 /nfs/dbraw/zinc/30/89/82/1029308982.db2.gz AYLURVDTDNSNPW-CYBMUJFWSA-N 1 0 315.244 3.659 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972319 1029311396 /nfs/dbraw/zinc/31/13/96/1029311396.db2.gz WBAAPGBMVPMASJ-TVYUQYBPSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000817975066 1029313691 /nfs/dbraw/zinc/31/36/91/1029313691.db2.gz IGIGBIQJIMVGFW-CYBMUJFWSA-N 1 0 312.413 3.610 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817976605 1029314945 /nfs/dbraw/zinc/31/49/45/1029314945.db2.gz OXHIVBKIGNDJPN-VHSXEESVSA-N 1 0 305.249 3.867 20 10 DHCDRO Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000817980808 1029315800 /nfs/dbraw/zinc/31/58/00/1029315800.db2.gz NUAMKLSWFWQDEU-XHDPSFHLSA-N 1 0 300.377 3.760 20 10 DHCDRO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979979 1029316113 /nfs/dbraw/zinc/31/61/13/1029316113.db2.gz GUCDINSWCIWWMB-QWRGUYRKSA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(N(C)C)cc1 ZINC000817978128 1029316646 /nfs/dbraw/zinc/31/66/46/1029316646.db2.gz WOSYZDJLGRYQEI-OAHLLOKOSA-N 1 0 309.457 3.962 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000818216766 1029353614 /nfs/dbraw/zinc/35/36/14/1029353614.db2.gz NTFXBMJOGITEGA-INIZCTEOSA-N 1 0 314.477 3.559 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CC3(C)C)C2)cc1 ZINC000818221486 1029355840 /nfs/dbraw/zinc/35/58/40/1029355840.db2.gz NHDBRJWUXUHAQE-HDMKZQKVSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(Cl)o3)C2)cc1 ZINC000818220477 1029357067 /nfs/dbraw/zinc/35/70/67/1029357067.db2.gz KSBFIFXBKGZSFS-ZDUSSCGKSA-N 1 0 320.820 3.558 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC000818230676 1029358396 /nfs/dbraw/zinc/35/83/96/1029358396.db2.gz RIDAZXUTLCRNCA-ROUUACIJSA-N 1 0 301.361 3.518 20 10 DHCDRO Clc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001170898946 1029368541 /nfs/dbraw/zinc/36/85/41/1029368541.db2.gz ZSAFXBVZAAOXDJ-MRXNPFEDSA-N 1 0 313.828 3.922 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3C)C2)cc1 ZINC000818343975 1029375863 /nfs/dbraw/zinc/37/58/63/1029375863.db2.gz GSIXOCXACBBYAF-FRQCXROJSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccsc3)C2)cc1 ZINC000818344186 1029376220 /nfs/dbraw/zinc/37/62/20/1029376220.db2.gz KMGCXOWQWKTQTM-CABCVRRESA-N 1 0 316.470 3.934 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818355446 1029384271 /nfs/dbraw/zinc/38/42/71/1029384271.db2.gz FZAAJCOGSQJMND-QANKJYHBSA-N 1 0 318.436 3.502 20 10 DHCDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000818618923 1029421669 /nfs/dbraw/zinc/42/16/69/1029421669.db2.gz UUEMRBBUACRHSA-BMGDILEWSA-N 1 0 319.468 3.737 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1C ZINC000819904269 1029622249 /nfs/dbraw/zinc/62/22/49/1029622249.db2.gz QTWHZMLOCGFDGW-LJQANCHMSA-N 1 0 315.457 3.790 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(Cl)c1 ZINC000865783278 1030023013 /nfs/dbraw/zinc/02/30/13/1030023013.db2.gz LAJZPGCDGHOFJH-KBPBESRZSA-N 1 0 309.837 3.506 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000822525613 1030044021 /nfs/dbraw/zinc/04/40/21/1030044021.db2.gz JXEMOYOJCFRCSV-IAGOWNOFSA-N 1 0 317.816 3.662 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(O)c1 ZINC000865832236 1030047998 /nfs/dbraw/zinc/04/79/98/1030047998.db2.gz MAFOLCKGENTCPI-ZIAGYGMSSA-N 1 0 315.335 3.778 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CC)c2ccncc2)c1 ZINC000290617028 1030129888 /nfs/dbraw/zinc/12/98/88/1030129888.db2.gz XAIJJCLLLBRNBQ-QGZVFWFLSA-N 1 0 300.402 3.769 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000924648259 1030150059 /nfs/dbraw/zinc/15/00/59/1030150059.db2.gz LNORIDILLSWGBZ-INIZCTEOSA-N 1 0 324.472 3.670 20 10 DHCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866227627 1030169049 /nfs/dbraw/zinc/16/90/49/1030169049.db2.gz AVEKNEIPSSGXFX-KRWDZBQOSA-N 1 0 309.457 3.793 20 10 DHCDRO c1csc(SCCC[NH2+][C@@H]2CCCc3ncccc32)n1 ZINC000866270185 1030192289 /nfs/dbraw/zinc/19/22/89/1030192289.db2.gz SYSNMJFJEZYLCA-CQSZACIVSA-N 1 0 305.472 3.688 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC000823423425 1030298530 /nfs/dbraw/zinc/29/85/30/1030298530.db2.gz IUIKHRKBMSWOPV-UHFFFAOYSA-N 1 0 308.784 3.992 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1O ZINC000866478790 1030313616 /nfs/dbraw/zinc/31/36/16/1030313616.db2.gz LCKOZKMMVSEOFT-GFCCVEGCSA-N 1 0 317.816 3.969 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c(O)c1C ZINC000866512911 1030337179 /nfs/dbraw/zinc/33/71/79/1030337179.db2.gz PTRFRRMYMKTYGX-YXJHDRRASA-N 1 0 303.446 3.865 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000866511650 1030338338 /nfs/dbraw/zinc/33/83/38/1030338338.db2.gz DWZWHCUOXIMNKG-AYBZRNKSSA-N 1 0 303.446 3.947 20 10 DHCDRO C[C@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866512644 1030338446 /nfs/dbraw/zinc/33/84/46/1030338446.db2.gz BIQUHWZYRDIOGO-LBPRGKRZSA-N 1 0 313.376 3.884 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1 ZINC000866531967 1030353162 /nfs/dbraw/zinc/35/31/62/1030353162.db2.gz SYWGYNDAYWWBMY-HZPDHXFCSA-N 1 0 303.446 3.866 20 10 DHCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000823702644 1030367010 /nfs/dbraw/zinc/36/70/10/1030367010.db2.gz QIWUKQPODNVHJJ-INIZCTEOSA-N 1 0 318.505 3.810 20 10 DHCDRO COCC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000823737047 1030375558 /nfs/dbraw/zinc/37/55/58/1030375558.db2.gz RNJMWJWKQUTACX-UHFFFAOYSA-N 1 0 316.489 3.972 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866568404 1030381280 /nfs/dbraw/zinc/38/12/80/1030381280.db2.gz ZKHQXSOUTZJQAO-OAHLLOKOSA-N 1 0 322.403 3.665 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000866568745 1030381504 /nfs/dbraw/zinc/38/15/04/1030381504.db2.gz CBAUDDBWPLRXPW-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823747491 1030383859 /nfs/dbraw/zinc/38/38/59/1030383859.db2.gz CAHAHOHKDXKIMH-OAHLLOKOSA-N 1 0 318.486 3.899 20 10 DHCDRO CO[C@H](C)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823758293 1030389423 /nfs/dbraw/zinc/38/94/23/1030389423.db2.gz WQBUAUANAAHJPK-OAHLLOKOSA-N 1 0 318.486 3.899 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)O1 ZINC000823837378 1030407599 /nfs/dbraw/zinc/40/75/99/1030407599.db2.gz VTAVRWXGKDMESP-TXPKVOOTSA-N 1 0 302.462 3.578 20 10 DHCDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000866623911 1030411303 /nfs/dbraw/zinc/41/13/03/1030411303.db2.gz WQJGQYOUJCURGO-ABAIWWIYSA-N 1 0 311.372 3.813 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc2ccccc2c1O ZINC000866632832 1030413788 /nfs/dbraw/zinc/41/37/88/1030413788.db2.gz CFIWNQKUDNLJGE-GUYCJALGSA-N 1 0 307.397 3.928 20 10 DHCDRO C[N@H+](CCC1CCOCC1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121227041 1030439032 /nfs/dbraw/zinc/43/90/32/1030439032.db2.gz PYBVHTOMEXESIQ-UHFFFAOYSA-N 1 0 321.461 3.644 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925794311 1030497451 /nfs/dbraw/zinc/49/74/51/1030497451.db2.gz DEEHAQYMHYMNOR-OUAUKWLOSA-N 1 0 317.260 3.595 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824416296 1030557387 /nfs/dbraw/zinc/55/73/87/1030557387.db2.gz MHKDSHCMLITGDI-CABCVRRESA-N 1 0 318.486 3.898 20 10 DHCDRO Cc1occc1C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824610929 1030593395 /nfs/dbraw/zinc/59/33/95/1030593395.db2.gz SUHRDBFBKSNVPL-UHFFFAOYSA-N 1 0 310.191 3.688 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000824606263 1030595432 /nfs/dbraw/zinc/59/54/32/1030595432.db2.gz QDBFGNCNNDOKHE-UHFFFAOYSA-N 1 0 310.869 3.518 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](CO)c1ccccc1 ZINC000824696441 1030614530 /nfs/dbraw/zinc/61/45/30/1030614530.db2.gz MYOOKFNMXVFZDI-NRFANRHFSA-N 1 0 324.468 3.842 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C2(CF)CCOCC2)cc1 ZINC000824690982 1030614951 /nfs/dbraw/zinc/61/49/51/1030614951.db2.gz RJVKOJMICMZEDY-UHFFFAOYSA-N 1 0 322.468 3.921 20 10 DHCDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824715532 1030618517 /nfs/dbraw/zinc/61/85/17/1030618517.db2.gz LFZPAEJHACPSKR-JSGCOSHPSA-N 1 0 300.368 3.915 20 10 DHCDRO COC[C@@H](C[NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000824758035 1030639128 /nfs/dbraw/zinc/63/91/28/1030639128.db2.gz FWYZNOHHAHRMRF-OAHLLOKOSA-N 1 0 305.805 3.565 20 10 DHCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905908 1030664297 /nfs/dbraw/zinc/66/42/97/1030664297.db2.gz IKBOHXPNTIOSNZ-HNNXBMFYSA-N 1 0 319.836 3.597 20 10 DHCDRO COc1ccc(O)c(C[NH+]2CC(c3ccc(Cl)cc3)C2)c1 ZINC000824988635 1030693305 /nfs/dbraw/zinc/69/33/05/1030693305.db2.gz PWRZFNZTFHRVRX-UHFFFAOYSA-N 1 0 303.789 3.654 20 10 DHCDRO Cc1cc(O)c(CN2CCOC[C@@H]2c2ccc(F)cc2)cc1C ZINC000825046851 1030706334 /nfs/dbraw/zinc/70/63/34/1030706334.db2.gz YOTIZRYPALKNJO-GOSISDBHSA-N 1 0 315.388 3.722 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248180816 1030722890 /nfs/dbraw/zinc/72/28/90/1030722890.db2.gz WJUZOHCMDPTQOD-XMTFNYHQSA-N 1 0 302.462 3.607 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1Cl ZINC000825089769 1030722854 /nfs/dbraw/zinc/72/28/54/1030722854.db2.gz JAHUVPLBPDTAPE-LLVKDONJSA-N 1 0 319.788 3.934 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000825247518 1030759665 /nfs/dbraw/zinc/75/96/65/1030759665.db2.gz TUJWJJGJRRTKJI-CQSZACIVSA-N 1 0 310.869 3.564 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248734890 1030764301 /nfs/dbraw/zinc/76/43/01/1030764301.db2.gz DNEUWJQVCPZCKK-POZUXBRTSA-N 1 0 302.462 3.751 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000825332190 1030776949 /nfs/dbraw/zinc/77/69/49/1030776949.db2.gz XLQRTLHJQUTYGV-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000825327392 1030777990 /nfs/dbraw/zinc/77/79/90/1030777990.db2.gz SJHKDWZIRJCZBL-ZDUSSCGKSA-N 1 0 303.377 3.569 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cl ZINC000825359352 1030786842 /nfs/dbraw/zinc/78/68/42/1030786842.db2.gz ZCAQXIFNCSYLBB-UHFFFAOYSA-N 1 0 319.836 3.955 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825378852 1030792519 /nfs/dbraw/zinc/79/25/19/1030792519.db2.gz IFCSLZXTFYMUNW-UHFFFAOYSA-N 1 0 321.852 3.502 20 10 DHCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825489246 1030823928 /nfs/dbraw/zinc/82/39/28/1030823928.db2.gz GHKSACLUWSLIGP-AWEZNQCLSA-N 1 0 323.820 3.684 20 10 DHCDRO COc1cc(C[N@H+]2CCC[C@H](OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000825490292 1030824913 /nfs/dbraw/zinc/82/49/13/1030824913.db2.gz WEQRMXBBMSBNEK-HNNXBMFYSA-N 1 0 321.461 3.699 20 10 DHCDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000926933053 1031003904 /nfs/dbraw/zinc/00/39/04/1031003904.db2.gz CJAOSZLIFBQHMK-ZDUSSCGKSA-N 1 0 315.486 3.591 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000926965468 1031019192 /nfs/dbraw/zinc/01/91/92/1031019192.db2.gz WDCQFGHOYWAEST-NOZJJQNGSA-N 1 0 324.774 3.579 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000927009393 1031029858 /nfs/dbraw/zinc/02/98/58/1031029858.db2.gz CPSQQFQXTXCZLQ-DZGCQCFKSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)c1O ZINC000927038003 1031046466 /nfs/dbraw/zinc/04/64/66/1031046466.db2.gz OTCSJJAFDKZYEL-QWHCGFSZSA-N 1 0 307.459 3.870 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000927070275 1031069876 /nfs/dbraw/zinc/06/98/76/1031069876.db2.gz RGVQNEYJZAEIAP-UTKHUVCWSA-N 1 0 319.420 3.874 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(Cl)cc1O ZINC000927089928 1031081083 /nfs/dbraw/zinc/08/10/83/1031081083.db2.gz JHINOIFBWWHASM-LLVKDONJSA-N 1 0 303.789 3.831 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000927099624 1031087387 /nfs/dbraw/zinc/08/73/87/1031087387.db2.gz QXJYHYLVEZETNK-GOSISDBHSA-N 1 0 312.461 3.604 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c(C)c1OC ZINC000927124010 1031105965 /nfs/dbraw/zinc/10/59/65/1031105965.db2.gz GPVOBDCVLNWPIF-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3[C@@H](C1)C3(F)F)oc1ccccc12 ZINC000844753343 1031312152 /nfs/dbraw/zinc/31/21/52/1031312152.db2.gz VOTBODIYTQEUSZ-OKILXGFUSA-N 1 0 315.319 3.989 20 10 DHCDRO CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000844921900 1031401795 /nfs/dbraw/zinc/40/17/95/1031401795.db2.gz WKUAVVPPWAOENS-ZDUSSCGKSA-N 1 0 317.260 3.869 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c(O)c1 ZINC000872110911 1031503368 /nfs/dbraw/zinc/50/33/68/1031503368.db2.gz UDZIIHBNFUDFEW-VIFPVBQESA-N 1 0 313.266 3.523 20 10 DHCDRO C[C@H]([NH3+])c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC001171177909 1031555733 /nfs/dbraw/zinc/55/57/33/1031555733.db2.gz MUWPKPUTGSMBTM-JTQLQIEISA-N 1 0 321.218 3.787 20 10 DHCDRO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872250736 1031560932 /nfs/dbraw/zinc/56/09/32/1031560932.db2.gz AHVREKFDBIDBRR-LBPRGKRZSA-N 1 0 317.260 3.567 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1 ZINC000293798541 1031631001 /nfs/dbraw/zinc/63/10/01/1031631001.db2.gz RADPGQRKGGMKAU-OAHLLOKOSA-N 1 0 312.413 3.688 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@H](C)C1 ZINC001171190182 1031632982 /nfs/dbraw/zinc/63/29/82/1031632982.db2.gz RBPASAKYOJHBSL-LNLFQRSKSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1 ZINC000293817971 1031637383 /nfs/dbraw/zinc/63/73/83/1031637383.db2.gz RXPJXTCPFFFYBV-LSDHHAIUSA-N 1 0 302.418 3.556 20 10 DHCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000872807450 1031664942 /nfs/dbraw/zinc/66/49/42/1031664942.db2.gz RFRBTYSRJZQYHO-CQSZACIVSA-N 1 0 302.443 3.763 20 10 DHCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000872807449 1031665100 /nfs/dbraw/zinc/66/51/00/1031665100.db2.gz RFRBTYSRJZQYHO-AWEZNQCLSA-N 1 0 302.443 3.763 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc4ncccc34)ccc21 ZINC000873031826 1031695716 /nfs/dbraw/zinc/69/57/16/1031695716.db2.gz ZUMMFNDAHZORRV-UHFFFAOYSA-N 1 0 317.436 3.907 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)cc1C ZINC000873034976 1031696380 /nfs/dbraw/zinc/69/63/80/1031696380.db2.gz AWVRTZOTPOHWTP-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1C ZINC000873043420 1031697837 /nfs/dbraw/zinc/69/78/37/1031697837.db2.gz NXQIUOMTZWCGLJ-CQSZACIVSA-N 1 0 301.434 3.677 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CNc3ccccc32)c1 ZINC000873237479 1031769605 /nfs/dbraw/zinc/76/96/05/1031769605.db2.gz PUEPBAJODJKQOQ-ZIAGYGMSSA-N 1 0 312.413 3.651 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000873269461 1031781662 /nfs/dbraw/zinc/78/16/62/1031781662.db2.gz QBJXPSNUFYEIRY-ZJUUUORDSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000845970973 1031788115 /nfs/dbraw/zinc/78/81/15/1031788115.db2.gz GINFUPQHGYXGQU-WRSVWVKZSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000845970935 1031788780 /nfs/dbraw/zinc/78/87/80/1031788780.db2.gz FVUHLDIZTSWOBV-STQMWFEESA-N 1 0 322.408 3.700 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000845973269 1031788995 /nfs/dbraw/zinc/78/89/95/1031788995.db2.gz XAIJSAGFMRBMPE-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000845982196 1031791797 /nfs/dbraw/zinc/79/17/97/1031791797.db2.gz HWJOKLTUJWNIQA-HNNXBMFYSA-N 1 0 323.440 3.923 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1O ZINC000846058535 1031817823 /nfs/dbraw/zinc/81/78/23/1031817823.db2.gz QDRDEUZTINRNFT-SFHVURJKSA-N 1 0 321.424 3.508 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846033841 1031825252 /nfs/dbraw/zinc/82/52/52/1031825252.db2.gz BNPYLQKFKRZMLF-ACJLOTCBSA-N 1 0 319.832 3.740 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1F ZINC000846034163 1031828458 /nfs/dbraw/zinc/82/84/58/1031828458.db2.gz HRJFLAZKGQGXCV-LSDHHAIUSA-N 1 0 302.796 3.686 20 10 DHCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000846045705 1031838090 /nfs/dbraw/zinc/83/80/90/1031838090.db2.gz VRAZXMQZUFDLTJ-BQEZGVCGSA-N 1 0 324.468 3.652 20 10 DHCDRO OCC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000846103242 1031876770 /nfs/dbraw/zinc/87/67/70/1031876770.db2.gz UVFAUBLKDQNLJJ-UHFFFAOYSA-N 1 0 311.425 3.702 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C12CCCC2 ZINC000846149418 1031882101 /nfs/dbraw/zinc/88/21/01/1031882101.db2.gz ZDLORQYBCLXQSI-RRQGHBQHSA-N 1 0 319.445 3.789 20 10 DHCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C12CCCC2 ZINC000846149420 1031882309 /nfs/dbraw/zinc/88/23/09/1031882309.db2.gz ZDLORQYBCLXQSI-XOKHGSTOSA-N 1 0 319.445 3.789 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1O ZINC000846149398 1031883953 /nfs/dbraw/zinc/88/39/53/1031883953.db2.gz YXDAVSJLXRQXSL-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3ccc(Cl)cc32)c1O ZINC000846154721 1031884665 /nfs/dbraw/zinc/88/46/65/1031884665.db2.gz RLWLXFKDALVUJU-QMTHXVAHSA-N 1 0 319.788 3.839 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)c1O ZINC000846150353 1031885457 /nfs/dbraw/zinc/88/54/57/1031885457.db2.gz ZMRAAGQKLMVDBK-BBRMVZONSA-N 1 0 313.397 3.802 20 10 DHCDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846150441 1031885665 /nfs/dbraw/zinc/88/56/65/1031885665.db2.gz HKHUAEDFVCXXKK-KGLIPLIRSA-N 1 0 315.413 3.691 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCC2Cc3ccccc3C2)c1O ZINC000846157016 1031887638 /nfs/dbraw/zinc/88/76/38/1031887638.db2.gz IAVAHECGTXACKC-AWEZNQCLSA-N 1 0 311.425 3.857 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157769 1031888378 /nfs/dbraw/zinc/88/83/78/1031888378.db2.gz FWTSWYWDJPRAHE-CHWSQXEVSA-N 1 0 300.402 3.770 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000846159309 1031891045 /nfs/dbraw/zinc/89/10/45/1031891045.db2.gz JDNJVYIUAHMUQN-SOUVJXGZSA-N 1 0 307.434 3.645 20 10 DHCDRO COCC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161901 1031891506 /nfs/dbraw/zinc/89/15/06/1031891506.db2.gz HEVXSSFSPXBHRY-HIFRSBDPSA-N 1 0 319.401 3.731 20 10 DHCDRO COc1cccc(C2([NH2+][C@H](C)c3cccc(OC)c3O)CC2)c1 ZINC000846160510 1031892467 /nfs/dbraw/zinc/89/24/67/1031892467.db2.gz PHYUDBQPBXGQDZ-CYBMUJFWSA-N 1 0 313.397 3.749 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2(OC)CCC(C)CC2)c1O ZINC000846167365 1031894967 /nfs/dbraw/zinc/89/49/67/1031894967.db2.gz IVVXZEPTQAUOOC-TXKKKEFDSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1O ZINC000846163628 1031895431 /nfs/dbraw/zinc/89/54/31/1031895431.db2.gz CFJONHFXFOOXON-CABCVRRESA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000846169494 1031897252 /nfs/dbraw/zinc/89/72/52/1031897252.db2.gz RFYWQVMXWZRHSI-VBQJREDUSA-N 1 0 307.434 3.503 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000846171102 1031898510 /nfs/dbraw/zinc/89/85/10/1031898510.db2.gz DBKHPVXVJAQMRY-ULFGMLNVSA-N 1 0 301.361 3.689 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cc(C)ccc2F)c1O ZINC000846168155 1031898605 /nfs/dbraw/zinc/89/86/05/1031898605.db2.gz HHSYMOFGDCALJS-CYBMUJFWSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846136462 1031899236 /nfs/dbraw/zinc/89/92/36/1031899236.db2.gz IIITVFIPECQUOJ-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCSc2ccccc2)c1O ZINC000846135491 1031900312 /nfs/dbraw/zinc/90/03/12/1031900312.db2.gz CZNAMZVAVQBQHO-ZDUSSCGKSA-N 1 0 303.427 3.844 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1 ZINC000897993714 1031900360 /nfs/dbraw/zinc/90/03/60/1031900360.db2.gz BABQADORCCCEDH-GOSISDBHSA-N 1 0 314.429 3.981 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846136463 1031901104 /nfs/dbraw/zinc/90/11/04/1031901104.db2.gz IIITVFIPECQUOJ-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846136254 1031901564 /nfs/dbraw/zinc/90/15/64/1031901564.db2.gz JVVPFQRFXMFJSJ-AWEZNQCLSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(Cl)cc2)c1O ZINC000846142168 1031903852 /nfs/dbraw/zinc/90/38/52/1031903852.db2.gz CSOFKPUCBBLBNQ-GFCCVEGCSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000846141738 1031904042 /nfs/dbraw/zinc/90/40/42/1031904042.db2.gz RZTHQVMUXOIAJL-HUBLWGQQSA-N 1 0 301.386 3.968 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000846143151 1031906094 /nfs/dbraw/zinc/90/60/94/1031906094.db2.gz HZUDMFQSRZKURG-YZVOILCLSA-N 1 0 320.477 3.562 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)c1O ZINC000846144522 1031907968 /nfs/dbraw/zinc/90/79/68/1031907968.db2.gz HKRZQEOHGWTSPC-NWDGAFQWSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1O ZINC000846146271 1031909042 /nfs/dbraw/zinc/90/90/42/1031909042.db2.gz OVSIPIUENUDZQV-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1F ZINC000846182412 1031916114 /nfs/dbraw/zinc/91/61/14/1031916114.db2.gz JPWHSYRWZFOIKG-PSVSLLHZSA-N 1 0 323.795 3.957 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2O ZINC000846187092 1031918808 /nfs/dbraw/zinc/91/88/08/1031918808.db2.gz IEZQUWQOJSPUFA-VZMUKZCBSA-N 1 0 319.420 3.874 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c(O)c1C ZINC000846186785 1031920140 /nfs/dbraw/zinc/92/01/40/1031920140.db2.gz GAKXXPCTPZKPCH-KSSFIOAISA-N 1 0 303.446 3.865 20 10 DHCDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877487858 1033320405 /nfs/dbraw/zinc/32/04/05/1033320405.db2.gz CBQHOASPZXBBOJ-IBGZPJMESA-N 1 0 313.441 3.828 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)c(C)c1OC ZINC000877533422 1033340338 /nfs/dbraw/zinc/34/03/38/1033340338.db2.gz QBEJOBLWKUVYRN-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000877591539 1033371766 /nfs/dbraw/zinc/37/17/66/1033371766.db2.gz FHROGOTYGFNWKZ-AWEZNQCLSA-N 1 0 313.445 3.647 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1c([O-])cccc1F ZINC000927036870 1033406485 /nfs/dbraw/zinc/40/64/85/1033406485.db2.gz JYDICHWFMKCIMM-WRSVWVKZSA-N 1 0 306.425 3.589 20 10 DHCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172858114 1033426621 /nfs/dbraw/zinc/42/66/21/1033426621.db2.gz BSDJPAJLOMDEPQ-NSHDSACASA-N 1 0 323.795 3.654 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1O ZINC000877755796 1033430961 /nfs/dbraw/zinc/43/09/61/1033430961.db2.gz NBEVRPCMBJNFAY-ZIAGYGMSSA-N 1 0 315.413 3.778 20 10 DHCDRO CCOP(=O)(CCC[NH2+][C@H](C)c1ccccc1O)OCC ZINC000877755831 1033431385 /nfs/dbraw/zinc/43/13/85/1033431385.db2.gz OCIAELDXUKZIBJ-CYBMUJFWSA-N 1 0 315.350 3.699 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)c(Cl)cc1O ZINC000877758207 1033435331 /nfs/dbraw/zinc/43/53/31/1033435331.db2.gz MZSHSYJSDUIITJ-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1O ZINC000877755986 1033435394 /nfs/dbraw/zinc/43/53/94/1033435394.db2.gz WRDYNORZRCTPGF-CQSZACIVSA-N 1 0 313.397 3.794 20 10 DHCDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756862 1033435462 /nfs/dbraw/zinc/43/54/62/1033435462.db2.gz BHDMGZLYPPLGKY-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1c(Br)cncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758413 1033437797 /nfs/dbraw/zinc/43/77/97/1033437797.db2.gz ZCMFRUJIZYMLOS-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1 ZINC000877814193 1033467566 /nfs/dbraw/zinc/46/75/66/1033467566.db2.gz VSQULXCNRURIEA-ZDUSSCGKSA-N 1 0 318.442 3.545 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877823519 1033473913 /nfs/dbraw/zinc/47/39/13/1033473913.db2.gz MCKZFXXIVOMUBJ-NOZJJQNGSA-N 1 0 323.742 3.587 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(N(C)C)cc1 ZINC000927069673 1033508739 /nfs/dbraw/zinc/50/87/39/1033508739.db2.gz MLTRERHTJGQEDZ-OALUTQOASA-N 1 0 314.477 3.924 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171276 1033596032 /nfs/dbraw/zinc/59/60/32/1033596032.db2.gz MUQAMARBPZDTTC-PMUMKWKESA-N 1 0 303.446 3.790 20 10 DHCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1O ZINC001173219661 1033600447 /nfs/dbraw/zinc/60/04/47/1033600447.db2.gz OYXZHTIFEKZVAQ-CHWSQXEVSA-N 1 0 300.358 3.582 20 10 DHCDRO C[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccc(N(C)C)cc1 ZINC001173477101 1033738161 /nfs/dbraw/zinc/73/81/61/1033738161.db2.gz GVLQORUOSAUXEE-LBPRGKRZSA-N 1 0 316.395 3.849 20 10 DHCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)c1C ZINC000879118620 1033928475 /nfs/dbraw/zinc/92/84/75/1033928475.db2.gz HXMPYNCBVMHOAU-UHFFFAOYSA-N 1 0 314.477 3.526 20 10 DHCDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000879188928 1033946908 /nfs/dbraw/zinc/94/69/08/1033946908.db2.gz SYJIFOKIXGYPON-UHFFFAOYSA-N 1 0 312.461 3.649 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000879251058 1033964432 /nfs/dbraw/zinc/96/44/32/1033964432.db2.gz CJIXWFQXTJZXTF-QMMMGPOBSA-N 1 0 324.833 3.864 20 10 DHCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccnc1C(F)(F)F ZINC000863539499 1034123822 /nfs/dbraw/zinc/12/38/22/1034123822.db2.gz DKFLMEQBONMZTF-UHFFFAOYSA-N 1 0 321.346 3.512 20 10 DHCDRO CCc1onc(C)c1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000927139643 1034151657 /nfs/dbraw/zinc/15/16/57/1034151657.db2.gz MYXLUARVDXFYIH-QGZVFWFLSA-N 1 0 301.434 3.852 20 10 DHCDRO CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(N(C)C)cc1 ZINC000178059168 1034206103 /nfs/dbraw/zinc/20/61/03/1034206103.db2.gz PNVMUHBZKWJSKI-IBGZPJMESA-N 1 0 322.456 3.950 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@H](C)[C@H]3C)cc2)CC1 ZINC000842163107 1034221019 /nfs/dbraw/zinc/22/10/19/1034221019.db2.gz JZXSWYSVEPEGLB-YESZJQIVSA-N 1 0 316.489 3.778 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)nc1 ZINC000179116396 1034284111 /nfs/dbraw/zinc/28/41/11/1034284111.db2.gz SFTQMBTZNHEKPY-CYBMUJFWSA-N 1 0 315.848 3.968 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccccc2)cc1OC ZINC000179433680 1034309262 /nfs/dbraw/zinc/30/92/62/1034309262.db2.gz SINLIJZXPYDZMX-ZDUSSCGKSA-N 1 0 301.386 3.602 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000794671382 1034323351 /nfs/dbraw/zinc/32/33/51/1034323351.db2.gz GFDDCZPADPBUIC-IBGZPJMESA-N 1 0 305.462 3.735 20 10 DHCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179664522 1034325370 /nfs/dbraw/zinc/32/53/70/1034325370.db2.gz PUWWYCZSRGCOEE-ZDUSSCGKSA-N 1 0 301.386 3.602 20 10 DHCDRO Cc1csc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001137157222 1034377907 /nfs/dbraw/zinc/37/79/07/1034377907.db2.gz PRXPKUJNWIDPFA-UHFFFAOYSA-N 1 0 316.470 3.525 20 10 DHCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCCC2)o1 ZINC000183480006 1034390029 /nfs/dbraw/zinc/39/00/29/1034390029.db2.gz OEDIXOUXBJMODD-RDJZCZTQSA-N 1 0 314.429 3.781 20 10 DHCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1cccc(OC)c1 ZINC000120158821 1034399337 /nfs/dbraw/zinc/39/93/37/1034399337.db2.gz QPFBKZAMUSEUPX-CQSZACIVSA-N 1 0 315.413 3.993 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccccc1O ZINC000183595993 1034401862 /nfs/dbraw/zinc/40/18/62/1034401862.db2.gz WXMGDOPYGAUTQA-LBPRGKRZSA-N 1 0 307.340 3.887 20 10 DHCDRO CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C)cc1O ZINC000794796575 1034468741 /nfs/dbraw/zinc/46/87/41/1034468741.db2.gz VIXPCBMQNRIPFW-QGZVFWFLSA-N 1 0 318.461 3.534 20 10 DHCDRO CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794800332 1034470185 /nfs/dbraw/zinc/47/01/85/1034470185.db2.gz CPYNWMFWGMVXDN-OAHLLOKOSA-N 1 0 307.434 3.863 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794800560 1034470800 /nfs/dbraw/zinc/47/08/00/1034470800.db2.gz DBRUBLNEMPWHMS-QAPCUYQASA-N 1 0 324.424 3.547 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000184918051 1034512026 /nfs/dbraw/zinc/51/20/26/1034512026.db2.gz FIHJVRVJCHBOJA-YVEFUNNKSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000184984327 1034519920 /nfs/dbraw/zinc/51/99/20/1034519920.db2.gz PUJSEVILVFAFJC-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(C)cc1O ZINC000794812733 1034521048 /nfs/dbraw/zinc/52/10/48/1034521048.db2.gz FHUGWXIHZMRMQN-PKOBYXMFSA-N 1 0 313.441 3.653 20 10 DHCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185059981 1034525367 /nfs/dbraw/zinc/52/53/67/1034525367.db2.gz FUKVYYGBNQWMTE-WDEREUQCSA-N 1 0 317.260 3.691 20 10 DHCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185136368 1034530330 /nfs/dbraw/zinc/53/03/30/1034530330.db2.gz FFLVTWYOBUWKGA-NSHDSACASA-N 1 0 300.402 3.727 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCc2nc(C)cs2)c1 ZINC000185318841 1034541022 /nfs/dbraw/zinc/54/10/22/1034541022.db2.gz PGEZHWVKIPYBSX-ZDUSSCGKSA-N 1 0 320.458 3.839 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1C ZINC000794825305 1034547387 /nfs/dbraw/zinc/54/73/87/1034547387.db2.gz MGLJIKGNPSEQDW-GXTWGEPZSA-N 1 0 322.449 3.573 20 10 DHCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185453876 1034548061 /nfs/dbraw/zinc/54/80/61/1034548061.db2.gz CAJHFNCYZBIDKX-PXAZEXFGSA-N 1 0 305.805 3.604 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000185468752 1034551298 /nfs/dbraw/zinc/55/12/98/1034551298.db2.gz HLSWHSGVORLDGQ-VFVRVIDISA-N 1 0 303.377 3.612 20 10 DHCDRO CCSc1cccc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000185536084 1034556539 /nfs/dbraw/zinc/55/65/39/1034556539.db2.gz HGRYZARPABPUIA-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1O)OC(C)C ZINC000185722150 1034567275 /nfs/dbraw/zinc/56/72/75/1034567275.db2.gz MYRDVCCUOIGNCW-IBGZPJMESA-N 1 0 315.413 3.657 20 10 DHCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1O ZINC000186355272 1034624310 /nfs/dbraw/zinc/62/43/10/1034624310.db2.gz PLYMYSPTHOBIDY-DTJGQCLQSA-N 1 0 305.393 3.530 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794841122 1034673354 /nfs/dbraw/zinc/67/33/54/1034673354.db2.gz LWLUQESLARVCDE-OWCLPIDISA-N 1 0 320.452 3.749 20 10 DHCDRO COC1CCC(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000757986662 1035136827 /nfs/dbraw/zinc/13/68/27/1035136827.db2.gz WNDSOVQMHCBIMQ-UHFFFAOYSA-N 1 0 308.441 3.577 20 10 DHCDRO CCN(C)c1ccc(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1 ZINC001176154548 1035219860 /nfs/dbraw/zinc/21/98/60/1035219860.db2.gz PQFFMVGXNXKAMO-QGZVFWFLSA-N 1 0 315.505 3.591 20 10 DHCDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176916109 1035339158 /nfs/dbraw/zinc/33/91/58/1035339158.db2.gz SYRWGEOIHSGVPI-RBUKOAKNSA-N 1 0 302.462 3.595 20 10 DHCDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176916110 1035339245 /nfs/dbraw/zinc/33/92/45/1035339245.db2.gz SYRWGEOIHSGVPI-RTBURBONSA-N 1 0 302.462 3.595 20 10 DHCDRO CC(C)CCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001177333404 1035364434 /nfs/dbraw/zinc/36/44/34/1035364434.db2.gz BNKZJBAEOPJFKD-HZPDHXFCSA-N 1 0 322.468 3.965 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1F ZINC001177651479 1035387713 /nfs/dbraw/zinc/38/77/13/1035387713.db2.gz YCVCLSONSUWUNM-QGZVFWFLSA-N 1 0 302.368 3.808 20 10 DHCDRO CS[C@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC001177904035 1035397794 /nfs/dbraw/zinc/39/77/94/1035397794.db2.gz GMSWXFAIKRVQPU-RYUDHWBXSA-N 1 0 302.534 3.889 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2cccc(C)c2)cc1 ZINC001178139367 1035410811 /nfs/dbraw/zinc/41/08/11/1035410811.db2.gz UDSHAIYEMUJABF-HXUWFJFHSA-N 1 0 312.457 3.664 20 10 DHCDRO CC(C)([NH3+])c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000904475123 1035418745 /nfs/dbraw/zinc/41/87/45/1035418745.db2.gz ISCIRIYVMQMSQO-UHFFFAOYSA-N 1 0 308.784 3.991 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1 ZINC000773746590 1035432184 /nfs/dbraw/zinc/43/21/84/1035432184.db2.gz MBKXBOGYLLCMHX-GOSISDBHSA-N 1 0 324.472 3.621 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000773755875 1035438928 /nfs/dbraw/zinc/43/89/28/1035438928.db2.gz RSYMOSRYRMUGBA-LJQANCHMSA-N 1 0 302.462 3.535 20 10 DHCDRO Cc1cc(O)c(CNCC(C)(C)C[NH+]2CCCC2)c(Cl)c1 ZINC001178615134 1035439878 /nfs/dbraw/zinc/43/98/78/1035439878.db2.gz RMFUDIOTGBIQDL-UHFFFAOYSA-N 1 0 310.869 3.566 20 10 DHCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001178762994 1035446588 /nfs/dbraw/zinc/44/65/88/1035446588.db2.gz WSMHUABGKJCUHW-OAQYLSRUSA-N 1 0 324.468 3.938 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](O)C(C)C ZINC001178958871 1035457870 /nfs/dbraw/zinc/45/78/70/1035457870.db2.gz RXRBJEAABXJEGY-IRXDYDNUSA-N 1 0 323.477 3.583 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](O)C(C)C ZINC001178958873 1035457949 /nfs/dbraw/zinc/45/79/49/1035457949.db2.gz RXRBJEAABXJEGY-SJORKVTESA-N 1 0 323.477 3.583 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000773790407 1035462903 /nfs/dbraw/zinc/46/29/03/1035462903.db2.gz JEVVGZGOUGBXFK-UHFFFAOYSA-N 1 0 303.475 3.582 20 10 DHCDRO COc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C ZINC001179193962 1035470359 /nfs/dbraw/zinc/47/03/59/1035470359.db2.gz OQEBSBPIYUUPQH-KRWDZBQOSA-N 1 0 302.462 3.500 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC001179390253 1035476675 /nfs/dbraw/zinc/47/66/75/1035476675.db2.gz FFKOXJGZINSXIM-ICSRJNTNSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1noc2ccccc12 ZINC001179571133 1035483511 /nfs/dbraw/zinc/48/35/11/1035483511.db2.gz ZHYDDSGZRPQIBT-UHFFFAOYSA-N 1 0 305.381 3.918 20 10 DHCDRO CC(C)[PH+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC001179691522 1035490415 /nfs/dbraw/zinc/49/04/15/1035490415.db2.gz SLBTWPPFOXUNTA-SOFGYWHQSA-N 1 0 323.373 3.526 20 10 DHCDRO CCC[C@H](C)[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001180275085 1035626786 /nfs/dbraw/zinc/62/67/86/1035626786.db2.gz GDBSHRAVJKEFLQ-LBPRGKRZSA-N 1 0 320.408 3.724 20 10 DHCDRO CC(C)c1ccc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001180249302 1035630619 /nfs/dbraw/zinc/63/06/19/1035630619.db2.gz HSXLLITXFNBGAW-GOSISDBHSA-N 1 0 302.462 3.576 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccnn2C)cc1C(C)C ZINC000905739813 1035636489 /nfs/dbraw/zinc/63/64/89/1035636489.db2.gz JBFNPXLEXKFGRF-SFHVURJKSA-N 1 0 313.445 3.895 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(O)c1 ZINC001180524520 1035697586 /nfs/dbraw/zinc/69/75/86/1035697586.db2.gz YHFRYIXDJCMTEP-QGZVFWFLSA-N 1 0 311.425 3.916 20 10 DHCDRO CCC1CCC([N@H+](CCO)Cc2ccc(N(C)C)cc2)CC1 ZINC001194066398 1035822661 /nfs/dbraw/zinc/82/26/61/1035822661.db2.gz JNBOCEGOVLZIPD-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000906585861 1036007578 /nfs/dbraw/zinc/00/75/78/1036007578.db2.gz AOLXLFCBJUKHAC-MZPVMMEZSA-N 1 0 301.361 3.747 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c1O ZINC000775655840 1036253642 /nfs/dbraw/zinc/25/36/42/1036253642.db2.gz LPPGPORYTZXISE-FQEVSTJZSA-N 1 0 324.468 3.797 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000774400042 1036319547 /nfs/dbraw/zinc/31/95/47/1036319547.db2.gz RJYRTRAMICUEFE-WBVHZDCISA-N 1 0 323.795 3.959 20 10 DHCDRO COc1ccc(N(C)CC[N@H+](C)Cc2csc(C)c2)cc1 ZINC001195790680 1036348091 /nfs/dbraw/zinc/34/80/91/1036348091.db2.gz VIJUWOQHKWQCRO-UHFFFAOYSA-N 1 0 304.459 3.633 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)C2)cc1 ZINC001182509861 1036368834 /nfs/dbraw/zinc/36/88/34/1036368834.db2.gz YJRQSQVLMRGWLN-HOTGVXAUSA-N 1 0 304.478 3.793 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000775681871 1036413229 /nfs/dbraw/zinc/41/32/29/1036413229.db2.gz ULHUJGDGRPTZJZ-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CC3(CC=CC3)[C@H]2C(C)C)c1O ZINC001182694670 1036428304 /nfs/dbraw/zinc/42/83/04/1036428304.db2.gz XHOBTTTYTVOQLT-GOSISDBHSA-N 1 0 301.430 3.886 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001182968714 1036491052 /nfs/dbraw/zinc/49/10/52/1036491052.db2.gz DWPXPQLQMHVDQX-YVEFUNNKSA-N 1 0 313.388 3.760 20 10 DHCDRO Cc1cccc2c1C[N@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000762086934 1036516695 /nfs/dbraw/zinc/51/66/95/1036516695.db2.gz KILWGJHXUYMKAL-UHFFFAOYSA-N 1 0 304.393 3.807 20 10 DHCDRO COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccccc2O)c1 ZINC001203561123 1036550661 /nfs/dbraw/zinc/55/06/61/1036550661.db2.gz LSRJESSQWUQXAB-QGZVFWFLSA-N 1 0 315.438 3.691 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001203562542 1036555983 /nfs/dbraw/zinc/55/59/83/1036555983.db2.gz JXYIRMFAYRDADJ-UHFFFAOYSA-N 1 0 307.397 3.579 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000775736958 1036585970 /nfs/dbraw/zinc/58/59/70/1036585970.db2.gz IDNYHZQCRZGXOS-UHFFFAOYSA-N 1 0 313.228 3.978 20 10 DHCDRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000151653471 1036590796 /nfs/dbraw/zinc/59/07/96/1036590796.db2.gz QTHBWPBMVKTEEH-OAHLLOKOSA-N 1 0 322.449 3.565 20 10 DHCDRO CCC[N@H+](CCOC1CCSCC1)Cc1ccccc1O ZINC000929752401 1036637716 /nfs/dbraw/zinc/63/77/16/1036637716.db2.gz ACUVLXPUCZLPDK-UHFFFAOYSA-N 1 0 309.475 3.516 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOCC(F)(F)F)cc1 ZINC000151819014 1036651498 /nfs/dbraw/zinc/65/14/98/1036651498.db2.gz HTHQNKZFLHQBBD-CYBMUJFWSA-N 1 0 318.383 3.762 20 10 DHCDRO CCOc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c(O)c1 ZINC000762462731 1036777993 /nfs/dbraw/zinc/77/79/93/1036777993.db2.gz XVJGIBUQXJXFIZ-UHFFFAOYSA-N 1 0 321.461 3.864 20 10 DHCDRO CC(C)CCc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775827306 1036970108 /nfs/dbraw/zinc/97/01/08/1036970108.db2.gz KDKAUCUEEIWUET-CQSZACIVSA-N 1 0 316.449 3.575 20 10 DHCDRO CC(C)CCc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775827303 1036970935 /nfs/dbraw/zinc/97/09/35/1036970935.db2.gz KDKAUCUEEIWUET-AWEZNQCLSA-N 1 0 316.449 3.575 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775838654 1036994272 /nfs/dbraw/zinc/99/42/72/1036994272.db2.gz ZRBJQIYTMSSTSC-LBPRGKRZSA-N 1 0 317.364 3.651 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](c2cccs2)C2CC2)cc1OC ZINC000775852054 1037028982 /nfs/dbraw/zinc/02/89/82/1037028982.db2.gz XAHQEFQDGCKJRJ-KRWDZBQOSA-N 1 0 319.426 3.712 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(Cl)c2)c1O ZINC000915825721 1037239711 /nfs/dbraw/zinc/23/97/11/1037239711.db2.gz IUEULUCSEUCDJY-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO Cc1cc(O)c(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329352 1037243526 /nfs/dbraw/zinc/24/35/26/1037243526.db2.gz RBZRGRULQBZLRN-GJZGRUSLSA-N 1 0 324.896 3.812 20 10 DHCDRO COc1cccc(O)c1CN1CCC[C@@H]1c1csc(C)n1 ZINC000775991789 1037286299 /nfs/dbraw/zinc/28/62/99/1037286299.db2.gz KIQUVEMQPPUTCD-CQSZACIVSA-N 1 0 304.415 3.503 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000776015666 1037310236 /nfs/dbraw/zinc/31/02/36/1037310236.db2.gz XBHMRFYVJSAFRX-PWSUYJOCSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1cccc(CC[N@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC001203664171 1037646371 /nfs/dbraw/zinc/64/63/71/1037646371.db2.gz PQCIALQFHPYXAT-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000776179271 1037651997 /nfs/dbraw/zinc/65/19/97/1037651997.db2.gz POFXMPSGTRIGCH-IBGZPJMESA-N 1 0 315.413 3.824 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C12CCCCC2 ZINC000776178024 1037652265 /nfs/dbraw/zinc/65/22/65/1037652265.db2.gz YKBKVLFRIQNTPJ-IAGOWNOFSA-N 1 0 319.445 3.618 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cc1 ZINC000776167791 1037665674 /nfs/dbraw/zinc/66/56/74/1037665674.db2.gz OARWDCYOLDMDCU-DLBZAZTESA-N 1 0 318.505 3.982 20 10 DHCDRO CCCN(Cc1cc2ccccc2[nH]c1=O)c1ccc(C[NH3+])cc1 ZINC000775137641 1037692859 /nfs/dbraw/zinc/69/28/59/1037692859.db2.gz PMQNEARXZSTJNV-UHFFFAOYSA-N 1 0 321.424 3.816 20 10 DHCDRO CCCN(Cc1ccn(-c2ccccc2)n1)c1ccc(C[NH3+])cc1 ZINC000775139541 1037702661 /nfs/dbraw/zinc/70/26/61/1037702661.db2.gz CNNJRRYMVFXAPH-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1O ZINC000776218747 1037910469 /nfs/dbraw/zinc/91/04/69/1037910469.db2.gz BHKPHVFZUHGBJZ-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO CCOc1cccc(C[N@H+](C)Cc2cc(C)ccc2F)c1O ZINC000775168696 1037913710 /nfs/dbraw/zinc/91/37/10/1037913710.db2.gz QPNBTCYOYLUEEC-UHFFFAOYSA-N 1 0 303.377 3.870 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000776224781 1037929079 /nfs/dbraw/zinc/92/90/79/1037929079.db2.gz VZMYREBSEFJSAX-BMFZPTHFSA-N 1 0 309.837 3.647 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000776232145 1037998781 /nfs/dbraw/zinc/99/87/81/1037998781.db2.gz SJQRYVQOHIQJKU-AAEUAGOBSA-N 1 0 317.351 3.859 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000776254898 1038075007 /nfs/dbraw/zinc/07/50/07/1038075007.db2.gz NQWYMUFGERLAKK-FZKQIMNGSA-N 1 0 303.377 3.706 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775363145 1038272369 /nfs/dbraw/zinc/27/23/69/1038272369.db2.gz KQFSWEYPIXIXCG-CQSZACIVSA-N 1 0 300.450 3.555 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775362606 1038275103 /nfs/dbraw/zinc/27/51/03/1038275103.db2.gz IPUIWXMNHPYRJI-LBPRGKRZSA-N 1 0 317.364 3.651 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000775369299 1038284226 /nfs/dbraw/zinc/28/42/26/1038284226.db2.gz NCBIDFNKDPGZRU-GFCCVEGCSA-N 1 0 321.804 3.784 20 10 DHCDRO CCc1cccc(OCC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775371764 1038285954 /nfs/dbraw/zinc/28/59/54/1038285954.db2.gz RMDNHFROGNYAQT-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO CCOc1ccc(C[NH2+]CC2(CCOC)CCCCC2)c(O)c1 ZINC000775375354 1038297899 /nfs/dbraw/zinc/29/78/99/1038297899.db2.gz QXKVOJROLVSZFB-UHFFFAOYSA-N 1 0 321.461 3.868 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)ccc2OC)c1 ZINC000775375151 1038302285 /nfs/dbraw/zinc/30/22/85/1038302285.db2.gz JBBMIEZLFFSEQC-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCC[C@@H]1O ZINC001190436887 1038315302 /nfs/dbraw/zinc/31/53/02/1038315302.db2.gz NIQOAEUWZRVWCP-MJGOQNOKSA-N 1 0 304.478 3.514 20 10 DHCDRO CC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC000156834874 1038337144 /nfs/dbraw/zinc/33/71/44/1038337144.db2.gz MEGQZPIILDAFNM-MRXNPFEDSA-N 1 0 323.396 3.726 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000156905389 1038359885 /nfs/dbraw/zinc/35/98/85/1038359885.db2.gz NXRIUYQCGYUDLD-KDOFPFPSSA-N 1 0 318.486 3.763 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1C ZINC000077589701 1038369583 /nfs/dbraw/zinc/36/95/83/1038369583.db2.gz FBERQHAHGZYGQU-UHFFFAOYSA-N 1 0 321.424 3.538 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001191415989 1038501084 /nfs/dbraw/zinc/50/10/84/1038501084.db2.gz DIHAZYBSLHSWDB-OAQYLSRUSA-N 1 0 323.484 3.853 20 10 DHCDRO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1cc(Cl)ccc1O ZINC000775482878 1038549497 /nfs/dbraw/zinc/54/94/97/1038549497.db2.gz FIHOUVAVJAFEKZ-MRXNPFEDSA-N 1 0 321.852 3.990 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1O ZINC000775487601 1038556103 /nfs/dbraw/zinc/55/61/03/1038556103.db2.gz LJWPFDPZYWEJJK-ROUUACIJSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000775496811 1038579843 /nfs/dbraw/zinc/57/98/43/1038579843.db2.gz LTRVJKFENWLLGP-YJBOKZPZSA-N 1 0 310.441 3.884 20 10 DHCDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775498052 1038581139 /nfs/dbraw/zinc/58/11/39/1038581139.db2.gz WSMVOOCABLVEHT-LLVKDONJSA-N 1 0 311.731 3.665 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775514015 1038608209 /nfs/dbraw/zinc/60/82/09/1038608209.db2.gz QRSOAODLOFPIOV-CVEARBPZSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000775514407 1038609835 /nfs/dbraw/zinc/60/98/35/1038609835.db2.gz ZVQCKIXQOFRKHY-AAEUAGOBSA-N 1 0 317.907 3.935 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000775514408 1038611310 /nfs/dbraw/zinc/61/13/10/1038611310.db2.gz ZVQCKIXQOFRKHY-DGCLKSJQSA-N 1 0 317.907 3.935 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1O ZINC000775521989 1038624304 /nfs/dbraw/zinc/62/43/04/1038624304.db2.gz GVCHHDDLOHFAQR-AWEZNQCLSA-N 1 0 324.783 3.699 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000775539263 1038680828 /nfs/dbraw/zinc/68/08/28/1038680828.db2.gz DKTODSMWZCOUBK-VOLNDZDFSA-N 1 0 319.445 3.755 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(F)ccc1F ZINC000170779213 1038958574 /nfs/dbraw/zinc/95/85/74/1038958574.db2.gz CSFWUOAQZMSFHY-SFHVURJKSA-N 1 0 321.367 3.616 20 10 DHCDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157460674 1038985219 /nfs/dbraw/zinc/98/52/19/1038985219.db2.gz VWEHNTCADCZZMV-KXBFYZLASA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1O ZINC000760897430 1039037738 /nfs/dbraw/zinc/03/77/38/1039037738.db2.gz LTGKFBXCLDFVRZ-LLVKDONJSA-N 1 0 315.804 3.783 20 10 DHCDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000783311576 1039304458 /nfs/dbraw/zinc/30/44/58/1039304458.db2.gz YFCGRWAURVEZPU-OAHLLOKOSA-N 1 0 302.462 3.610 20 10 DHCDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000783311575 1039310557 /nfs/dbraw/zinc/31/05/57/1039310557.db2.gz YFCGRWAURVEZPU-HNNXBMFYSA-N 1 0 302.462 3.610 20 10 DHCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000231395705 1040229312 /nfs/dbraw/zinc/22/93/12/1040229312.db2.gz GFMXKDXZCICXHP-SNVBAGLBSA-N 1 0 318.280 3.776 20 10 DHCDRO CCOC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000060445493 1040650872 /nfs/dbraw/zinc/65/08/72/1040650872.db2.gz NOTCQTJYGQZSIG-UHFFFAOYSA-N 1 0 315.413 3.555 20 10 DHCDRO Oc1ccccc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000174593018 1040668569 /nfs/dbraw/zinc/66/85/69/1040668569.db2.gz UHEVSOKOTYTNSG-UHFFFAOYSA-N 1 0 300.789 3.859 20 10 DHCDRO Cc1ccsc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761220649 1040760597 /nfs/dbraw/zinc/76/05/97/1040760597.db2.gz IDPLBNBLPNCVRA-UHFFFAOYSA-N 1 0 304.459 3.633 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CCSc2ccccc2)c1O ZINC000228669889 1041045682 /nfs/dbraw/zinc/04/56/82/1041045682.db2.gz MCCQNNZFFJBIFO-UHFFFAOYSA-N 1 0 323.845 3.936 20 10 DHCDRO CCN(CCC[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000228792594 1041178725 /nfs/dbraw/zinc/17/87/25/1041178725.db2.gz KTGLHLAQGUGKHT-CQSZACIVSA-N 1 0 322.449 3.690 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000020146123 182192574 /nfs/dbraw/zinc/19/25/74/182192574.db2.gz DDNWDRYRAHRZFH-UHFFFAOYSA-N 1 0 319.246 3.805 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000272132262 130002625 /nfs/dbraw/zinc/00/26/25/130002625.db2.gz ARIKTJDWTSJYIQ-MRXNPFEDSA-N 1 0 320.408 3.661 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000272843577 130068619 /nfs/dbraw/zinc/06/86/19/130068619.db2.gz JWUKIAOHLVSULU-BMIGLBTASA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c(O)c1 ZINC000273365940 130112479 /nfs/dbraw/zinc/11/24/79/130112479.db2.gz FCBVAXDDTKPGDU-CJNGLKHVSA-N 1 0 304.459 3.716 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1C ZINC000273379312 130113673 /nfs/dbraw/zinc/11/36/73/130113673.db2.gz HVVUEUXVZMCYAL-CQSZACIVSA-N 1 0 313.397 3.631 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273386950 130116384 /nfs/dbraw/zinc/11/63/84/130116384.db2.gz JSGHDPPJZQFBAB-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1cccc(C2([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000273481143 130125924 /nfs/dbraw/zinc/12/59/24/130125924.db2.gz LXKFWFDZKXZOPH-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491839 130127419 /nfs/dbraw/zinc/12/74/19/130127419.db2.gz NKXPKYACSRHRPX-PKOBYXMFSA-N 1 0 315.388 3.883 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(F)ccc1O ZINC000273507092 130130743 /nfs/dbraw/zinc/13/07/43/130130743.db2.gz RDICXUDTOXUMJB-GFCCVEGCSA-N 1 0 317.360 3.543 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(Br)ccc1O ZINC000273621537 130145001 /nfs/dbraw/zinc/14/50/01/130145001.db2.gz ZFAIVLGIQRLRRH-MWLCHTKSSA-N 1 0 316.264 3.701 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000274737724 130257741 /nfs/dbraw/zinc/25/77/41/130257741.db2.gz DOAWMPWWTZXFHN-MRXNPFEDSA-N 1 0 300.358 3.584 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278623434 130707206 /nfs/dbraw/zinc/70/72/06/130707206.db2.gz RQYLQWYARQGWLA-MPGHIAIKSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000284198426 131058342 /nfs/dbraw/zinc/05/83/42/131058342.db2.gz BOUFGOSQXHJKPR-MRXNPFEDSA-N 1 0 302.462 3.633 20 10 DHCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000285651075 131190108 /nfs/dbraw/zinc/19/01/08/131190108.db2.gz YLWSJGHCVTUNBK-CRAIPNDOSA-N 1 0 311.425 3.821 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000288705784 131336093 /nfs/dbraw/zinc/33/60/93/131336093.db2.gz YWFCZNLXJPVKJB-QGZVFWFLSA-N 1 0 317.816 3.752 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1OCCc2sccc21 ZINC000297348241 132011451 /nfs/dbraw/zinc/01/14/51/132011451.db2.gz OXESGWDSUSCXPA-UCMVZMLTSA-N 1 0 315.438 3.733 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Br)cc1)CC2 ZINC000297872450 132038373 /nfs/dbraw/zinc/03/83/73/132038373.db2.gz UQODAKBNLSQTOD-AWEZNQCLSA-N 1 0 318.214 3.932 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000297941662 132041545 /nfs/dbraw/zinc/04/15/45/132041545.db2.gz YCMJCCKYPSBGJS-KPFFTGBYSA-N 1 0 309.409 3.889 20 10 DHCDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000122954508 332416310 /nfs/dbraw/zinc/41/63/10/332416310.db2.gz DSFICAQRMBQXKE-HNNXBMFYSA-N 1 0 312.461 3.697 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294031542 335116959 /nfs/dbraw/zinc/11/69/59/335116959.db2.gz VQURTXYLTXLISG-SFHVURJKSA-N 1 0 312.413 3.769 20 10 DHCDRO C[C@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294028546 335116980 /nfs/dbraw/zinc/11/69/80/335116980.db2.gz FJPYDCPZODDGFH-LPHOPBHVSA-N 1 0 313.441 3.817 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2O)c(OC)c1 ZINC000378964055 333068401 /nfs/dbraw/zinc/06/84/01/333068401.db2.gz SMAZYSWTIOLTSG-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1O ZINC000179688575 333154400 /nfs/dbraw/zinc/15/44/00/333154400.db2.gz DGEUFQQOBMUMOC-SFHVURJKSA-N 1 0 313.372 3.975 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000185397777 333208222 /nfs/dbraw/zinc/20/82/22/333208222.db2.gz HIPIMKGOAZHPLC-AWEZNQCLSA-N 1 0 300.402 3.735 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630128 333210822 /nfs/dbraw/zinc/21/08/22/333210822.db2.gz DOFMKLNRCAKQAI-SMDDNHRTSA-N 1 0 309.793 3.985 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000296004979 335139678 /nfs/dbraw/zinc/13/96/78/335139678.db2.gz MAYBLWUSKRNUCZ-MRXNPFEDSA-N 1 0 305.443 3.612 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000124046490 333485552 /nfs/dbraw/zinc/48/55/52/333485552.db2.gz OBCVFZSXBFMXJY-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000296306736 335143304 /nfs/dbraw/zinc/14/33/04/335143304.db2.gz GCLSIGMLPGVDJD-VIFPVBQESA-N 1 0 306.233 3.758 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464520 334047437 /nfs/dbraw/zinc/04/74/37/334047437.db2.gz IEUWGZNNKYQRIC-AEFFLSMTSA-N 1 0 301.361 3.541 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292804191 334192598 /nfs/dbraw/zinc/19/25/98/334192598.db2.gz RQHZKXRZDLZMDH-HXUWFJFHSA-N 1 0 324.468 3.746 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nc(C)n2c1CCCC2)c1ccc(C)cc1O ZINC000366881347 335279936 /nfs/dbraw/zinc/27/99/36/335279936.db2.gz RLLJRHOOUSDDAX-MRXNPFEDSA-N 1 0 313.445 3.783 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000192915830 336284434 /nfs/dbraw/zinc/28/44/34/336284434.db2.gz XIRCCXZTWIGWEO-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235395 336840985 /nfs/dbraw/zinc/84/09/85/336840985.db2.gz OSXKGUOMJPTOMD-DOMZBBRYSA-N 1 0 301.361 3.932 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1F ZINC000372875906 336941551 /nfs/dbraw/zinc/94/15/51/336941551.db2.gz GEYNACLDMXIGFX-MRXNPFEDSA-N 1 0 318.367 3.644 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000373370266 336958206 /nfs/dbraw/zinc/95/82/06/336958206.db2.gz POWKBAYIPGBFCF-IAGOWNOFSA-N 1 0 309.837 3.649 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000374496020 336990535 /nfs/dbraw/zinc/99/05/35/336990535.db2.gz KPGFYZWKIDENPQ-AZUAARDMSA-N 1 0 310.441 3.620 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c(O)c1C ZINC000376896729 337043445 /nfs/dbraw/zinc/04/34/45/337043445.db2.gz OZFGDCHRZDKPPU-WMLDXEAASA-N 1 0 324.424 3.786 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3cccc(Cl)c32)c1 ZINC000377883747 337063368 /nfs/dbraw/zinc/06/33/68/337063368.db2.gz KVWYFUPPTQLBCI-QMTHXVAHSA-N 1 0 319.788 3.839 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000378036973 337065486 /nfs/dbraw/zinc/06/54/86/337065486.db2.gz FMVGTUKDMJJFDO-UHFFFAOYSA-N 1 0 319.445 3.620 20 10 DHCDRO Cc1ccn(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000378214177 337068338 /nfs/dbraw/zinc/06/83/38/337068338.db2.gz ZZLPZWQZFFICPJ-UHFFFAOYSA-N 1 0 321.424 3.887 20 10 DHCDRO Cc1nc(C[NH2+]Cc2c(O)ccc3ccccc32)c2n1CCCC2 ZINC000378395690 337071528 /nfs/dbraw/zinc/07/15/28/337071528.db2.gz MJWQJQMEYNRJPP-UHFFFAOYSA-N 1 0 321.424 3.676 20 10 DHCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000194172487 337082316 /nfs/dbraw/zinc/08/23/16/337082316.db2.gz JJYUINONMFGXPH-KGLIPLIRSA-N 1 0 314.429 3.501 20 10 DHCDRO Oc1ccccc1C[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000360019777 337083776 /nfs/dbraw/zinc/08/37/76/337083776.db2.gz JJOMFVRVLVUZCI-GFCCVEGCSA-N 1 0 310.180 3.922 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1O ZINC000185122321 337203198 /nfs/dbraw/zinc/20/31/98/337203198.db2.gz FPOQNONDJVNYHX-QTJFZDIUSA-N 1 0 319.404 3.854 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683857 337250019 /nfs/dbraw/zinc/25/00/19/337250019.db2.gz WBFLEKWBIWEHGF-HIFRSBDPSA-N 1 0 314.433 3.601 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683838 337250038 /nfs/dbraw/zinc/25/00/38/337250038.db2.gz WBFLEKWBIWEHGF-DZGCQCFKSA-N 1 0 314.433 3.601 20 10 DHCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000188877888 337275858 /nfs/dbraw/zinc/27/58/58/337275858.db2.gz QLYJMFXCVLFUQM-OAHLLOKOSA-N 1 0 303.789 3.967 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189469223 337279319 /nfs/dbraw/zinc/27/93/19/337279319.db2.gz KTMLZRWFHAABMU-GUYCJALGSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1nc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)cs1 ZINC000189933548 337283987 /nfs/dbraw/zinc/28/39/87/337283987.db2.gz WWKTXJYUNULUIH-QGZVFWFLSA-N 1 0 301.459 3.855 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000246235186 337523723 /nfs/dbraw/zinc/52/37/23/337523723.db2.gz REXCNXMXUUCDNA-GUDVDZBRSA-N 1 0 314.473 3.580 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1O ZINC000248483330 337565554 /nfs/dbraw/zinc/56/55/54/337565554.db2.gz COWDWXFAVRMJOW-VBNZEHGJSA-N 1 0 303.381 3.562 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000572149339 337592386 /nfs/dbraw/zinc/59/23/86/337592386.db2.gz ADQNPMXUMWMTLJ-UHFFFAOYSA-N 1 0 321.424 3.605 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c(O)c1 ZINC000529557304 340763042 /nfs/dbraw/zinc/76/30/42/340763042.db2.gz MCNCCCIBHNFXPV-INIZCTEOSA-N 1 0 321.779 3.970 20 10 DHCDRO CCCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)c1 ZINC000188269019 520347511 /nfs/dbraw/zinc/34/75/11/520347511.db2.gz MNCMWGOTXOOCBF-LJQANCHMSA-N 1 0 319.445 3.572 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](CC)c2ccccc2O)cn1 ZINC000155748340 520375600 /nfs/dbraw/zinc/37/56/00/520375600.db2.gz XOEQTOLMWSXPIV-MRXNPFEDSA-N 1 0 300.402 3.817 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccsc2)cc1OC ZINC000159840994 522771513 /nfs/dbraw/zinc/77/15/13/522771513.db2.gz MQZDMPUEMJFHBL-AWEZNQCLSA-N 1 0 319.426 3.808 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2cccs2)cc1OC ZINC000159874946 522773563 /nfs/dbraw/zinc/77/35/63/522773563.db2.gz UGPPFWLXQYWFJR-LLVKDONJSA-N 1 0 307.415 3.664 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000185548842 524031825 /nfs/dbraw/zinc/03/18/25/524031825.db2.gz WMCKMBWKRMROBE-IAQYHMDHSA-N 1 0 307.365 3.725 20 10 DHCDRO COc1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c(O)c1 ZINC000365061929 524069274 /nfs/dbraw/zinc/06/92/74/524069274.db2.gz KLPWNFMDPYSLQA-UHFFFAOYSA-N 1 0 301.361 3.576 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c(O)c1 ZINC000363821759 524073133 /nfs/dbraw/zinc/07/31/33/524073133.db2.gz GKYQSLPRYGXUBF-UHFFFAOYSA-N 1 0 320.392 3.753 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3(SC)CCC3)CC2)cc1 ZINC000366035139 524403225 /nfs/dbraw/zinc/40/32/25/524403225.db2.gz KAZOFEZUIIHHQI-UHFFFAOYSA-N 1 0 320.502 3.539 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000182153905 524748850 /nfs/dbraw/zinc/74/88/50/524748850.db2.gz PDZPAWFEPDUHHS-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000192837689 524767320 /nfs/dbraw/zinc/76/73/20/524767320.db2.gz KYQMAFKEMAHFKX-UONOGXRCSA-N 1 0 315.413 3.778 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1C ZINC000128445690 525320811 /nfs/dbraw/zinc/32/08/11/525320811.db2.gz CQSCORPXTWXLNO-MRXNPFEDSA-N 1 0 303.427 3.644 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1O ZINC000157591754 525401300 /nfs/dbraw/zinc/40/13/00/525401300.db2.gz ZMUDOIZLLBGOSK-YVEFUNNKSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000189314772 525485008 /nfs/dbraw/zinc/48/50/08/525485008.db2.gz OSXFOTUCPDHLBJ-INMHGKMJSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000186796203 525633941 /nfs/dbraw/zinc/63/39/41/525633941.db2.gz NXMMQDRHBXKIKA-ATZDWAIDSA-N 1 0 302.462 3.631 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212363 525744248 /nfs/dbraw/zinc/74/42/48/525744248.db2.gz NAIQTOMNGVFCIQ-QMTHXVAHSA-N 1 0 305.324 3.763 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000185840201 525934275 /nfs/dbraw/zinc/93/42/75/525934275.db2.gz SHGSMHZEXFNHBK-XEZPLFJOSA-N 1 0 305.443 3.925 20 10 DHCDRO Cc1ccc([C@H](C[NH2+]Cc2cccc(C)c2O)N2CCCC2)o1 ZINC000181068405 525959380 /nfs/dbraw/zinc/95/93/80/525959380.db2.gz RVOWPAOCWNKAKW-KRWDZBQOSA-N 1 0 314.429 3.529 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000268859818 526249043 /nfs/dbraw/zinc/24/90/43/526249043.db2.gz JFZZXAMKYLXSGR-HNNXBMFYSA-N 1 0 308.429 3.560 20 10 DHCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(Cl)c3)CC1)OCO2 ZINC000124426567 526336434 /nfs/dbraw/zinc/33/64/34/526336434.db2.gz MNPKZDRPQGYKDR-UHFFFAOYSA-N 1 0 317.772 3.553 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127478518 526342451 /nfs/dbraw/zinc/34/24/51/526342451.db2.gz WYLKWZUBPGNXDQ-CQSZACIVSA-N 1 0 321.218 3.820 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179893717 526349995 /nfs/dbraw/zinc/34/99/95/526349995.db2.gz KTLLWFLHVRUKHE-UHFFFAOYSA-N 1 0 315.388 3.713 20 10 DHCDRO OCCC[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000124380602 527543655 /nfs/dbraw/zinc/54/36/55/527543655.db2.gz GJOVJODSSLVEBN-MRXNPFEDSA-N 1 0 305.805 3.649 20 10 DHCDRO OCCC[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000124380826 527545467 /nfs/dbraw/zinc/54/54/67/527545467.db2.gz GJOVJODSSLVEBN-INIZCTEOSA-N 1 0 305.805 3.649 20 10 DHCDRO CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000286013419 535894628 /nfs/dbraw/zinc/89/46/28/535894628.db2.gz JHQYSQZGNQNCCK-SFHVURJKSA-N 1 0 320.452 3.979 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421318 536807912 /nfs/dbraw/zinc/80/79/12/536807912.db2.gz JIWYFCCHXKOVAE-XJKSGUPXSA-N 1 0 319.401 3.731 20 10 DHCDRO COCC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000273401100 536808641 /nfs/dbraw/zinc/80/86/41/536808641.db2.gz GLJCRPJKBMZWHM-SWLSCSKDSA-N 1 0 307.365 3.861 20 10 DHCDRO COCC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000273401096 536818410 /nfs/dbraw/zinc/81/84/10/536818410.db2.gz GLJCRPJKBMZWHM-DOMZBBRYSA-N 1 0 307.365 3.861 20 10 DHCDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000284120106 537141719 /nfs/dbraw/zinc/14/17/19/537141719.db2.gz CNYYKCKLVIWDJU-GFCCVEGCSA-N 1 0 319.836 3.660 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1O ZINC000894360073 1013105167 /nfs/dbraw/zinc/10/51/67/1013105167.db2.gz UZICHWBKJYCLCV-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CC(C)(C)CO2)C2CC2)cc1 ZINC001167107660 1013148078 /nfs/dbraw/zinc/14/80/78/1013148078.db2.gz FVCQIRQSULOTMZ-GOSISDBHSA-N 1 0 302.462 3.532 20 10 DHCDRO COc1cc(O)c(C[NH+]2CCC3(CCCC3)CC2)cc1OC ZINC000160278228 1013349703 /nfs/dbraw/zinc/34/97/03/1013349703.db2.gz SNCANGMMFNQVKX-UHFFFAOYSA-N 1 0 305.418 3.566 20 10 DHCDRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000925101319 1013739390 /nfs/dbraw/zinc/73/93/90/1013739390.db2.gz GVBYLLFTDRARNM-NSHDSACASA-N 1 0 309.460 3.589 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000050225432 1014132682 /nfs/dbraw/zinc/13/26/82/1014132682.db2.gz VZVIJUGTBIGOIX-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1F ZINC000160501202 1014138054 /nfs/dbraw/zinc/13/80/54/1014138054.db2.gz MIIFYJMPZCDTGL-OAHLLOKOSA-N 1 0 308.441 3.719 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4[nH]ccc4c3)cc2)CC1 ZINC001167431080 1014295910 /nfs/dbraw/zinc/29/59/10/1014295910.db2.gz GEUKVRDTXWAEEK-UHFFFAOYSA-N 1 0 320.440 3.532 20 10 DHCDRO C=Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167431002 1014297325 /nfs/dbraw/zinc/29/73/25/1014297325.db2.gz AUOWIIOULXEDMQ-UHFFFAOYSA-N 1 0 307.441 3.694 20 10 DHCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c(O)c1OC ZINC000895126145 1014485178 /nfs/dbraw/zinc/48/51/78/1014485178.db2.gz VOUGFADGCSCYBW-OAHLLOKOSA-N 1 0 305.418 3.564 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000895134660 1014529514 /nfs/dbraw/zinc/52/95/14/1014529514.db2.gz JVIDAWNYIOLXLS-GJZGRUSLSA-N 1 0 301.789 3.504 20 10 DHCDRO C[N@H+](CC[C@@H]1CCOC1)Cc1ccc(N2CCCCC2)cc1 ZINC000783498981 1014542371 /nfs/dbraw/zinc/54/23/71/1014542371.db2.gz ZDNYRMIZPWZDST-GOSISDBHSA-N 1 0 302.462 3.535 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000895150700 1014626537 /nfs/dbraw/zinc/62/65/37/1014626537.db2.gz BAFYGNDYWATBEE-ARJAWSKDSA-N 1 0 307.850 3.666 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000895150701 1014627023 /nfs/dbraw/zinc/62/70/23/1014627023.db2.gz BAFYGNDYWATBEE-ONEGZZNKSA-N 1 0 307.850 3.666 20 10 DHCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C(C)(C)O1 ZINC000177975494 1014733407 /nfs/dbraw/zinc/73/34/07/1014733407.db2.gz ZTTNSGPSANLXNS-KRWDZBQOSA-N 1 0 302.462 3.723 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)CC)cc2)C1(C)C ZINC001167474150 1015057052 /nfs/dbraw/zinc/05/70/52/1015057052.db2.gz PYYOFLGPJOKZQR-ROUUACIJSA-N 1 0 304.478 3.778 20 10 DHCDRO CN(C)c1ccc(CN(Cc2cccnc2Cl)C2CC2)cc1 ZINC000729542751 1015199386 /nfs/dbraw/zinc/19/93/86/1015199386.db2.gz RQPRENJGTOQETC-UHFFFAOYSA-N 1 0 315.848 3.966 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c(O)c1OC ZINC000895839034 1015320737 /nfs/dbraw/zinc/32/07/37/1015320737.db2.gz JBHJCXQTXVCTEK-UHFFFAOYSA-N 1 0 319.401 3.590 20 10 DHCDRO COc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(O)c1OC ZINC000891499142 1015327639 /nfs/dbraw/zinc/32/76/39/1015327639.db2.gz NGGOVKXBDYKTGI-ZDUSSCGKSA-N 1 0 313.397 3.529 20 10 DHCDRO COc1ccc(C[N@H+](Cc2cccs2)C2CC2)c(O)c1OC ZINC000891600097 1015441760 /nfs/dbraw/zinc/44/17/60/1015441760.db2.gz QMVHOMAWFZJUAP-UHFFFAOYSA-N 1 0 319.426 3.636 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001140464476 1015509487 /nfs/dbraw/zinc/50/94/87/1015509487.db2.gz RCCYFTUZZYMVDY-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000896509761 1015605143 /nfs/dbraw/zinc/60/51/43/1015605143.db2.gz JOCKSJAJHXIBPH-GFCCVEGCSA-N 1 0 300.358 3.714 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000896611555 1015672284 /nfs/dbraw/zinc/67/22/84/1015672284.db2.gz BQCCUPWQFREXSV-MRXNPFEDSA-N 1 0 318.804 3.690 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834816 1016390610 /nfs/dbraw/zinc/39/06/10/1016390610.db2.gz HQELEWFFLLJIOV-KDOFPFPSSA-N 1 0 316.420 3.793 20 10 DHCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195325 1016396892 /nfs/dbraw/zinc/39/68/92/1016396892.db2.gz PQBLHSHROFIZLJ-CXAGYDPISA-N 1 0 313.397 3.602 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000184855315 1016405713 /nfs/dbraw/zinc/40/57/13/1016405713.db2.gz LJOXSJPBQPALNJ-XOBRGWDASA-N 1 0 311.425 3.655 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000184855351 1016406408 /nfs/dbraw/zinc/40/64/08/1016406408.db2.gz LJOXSJPBQPALNJ-VBKZILBWSA-N 1 0 311.425 3.655 20 10 DHCDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000281855370 1016765526 /nfs/dbraw/zinc/76/55/26/1016765526.db2.gz BPRZXUOMRSJPLQ-LLVKDONJSA-N 1 0 317.410 3.694 20 10 DHCDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000840775491 1016954551 /nfs/dbraw/zinc/95/45/51/1016954551.db2.gz PWWPZTORNKUMPF-KGLIPLIRSA-N 1 0 302.393 3.988 20 10 DHCDRO [O-]c1c(Br)cc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000708075398 1016996491 /nfs/dbraw/zinc/99/64/91/1016996491.db2.gz MRDLLYMMIVFKCM-UHFFFAOYSA-N 1 0 316.626 3.935 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1 ZINC000185577305 1017030774 /nfs/dbraw/zinc/03/07/74/1017030774.db2.gz YQOIMDDCOJNSLG-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cccnc32)c1O ZINC000897071961 1017033405 /nfs/dbraw/zinc/03/34/05/1017033405.db2.gz QCYPBZBVRDUFJX-CQSZACIVSA-N 1 0 318.804 3.616 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000192790209 1017057909 /nfs/dbraw/zinc/05/79/09/1017057909.db2.gz VRGYJTJUVVJVSJ-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cc(F)ccc1O ZINC000185647239 1017080547 /nfs/dbraw/zinc/08/05/47/1017080547.db2.gz YJZPWJJAYKGCHE-SNVBAGLBSA-N 1 0 311.303 3.539 20 10 DHCDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc(OC)c1 ZINC000475201134 1017080807 /nfs/dbraw/zinc/08/08/07/1017080807.db2.gz DJPRUBBPBRHRIP-UHFFFAOYSA-N 1 0 324.424 3.794 20 10 DHCDRO C[N@H+](CCC(C)(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877605358 1033378281 /nfs/dbraw/zinc/37/82/81/1033378281.db2.gz BMGBKOBZLMVKRK-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000773048199 1032540905 /nfs/dbraw/zinc/54/09/05/1032540905.db2.gz WGYSCHUZWLRRPO-DNVCBOLYSA-N 1 0 304.478 3.735 20 10 DHCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773052200 1032542145 /nfs/dbraw/zinc/54/21/45/1032542145.db2.gz WZIYGHHGYXCXPS-BBRMVZONSA-N 1 0 304.459 3.507 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(N(C)C)cc1 ZINC000773104128 1032560295 /nfs/dbraw/zinc/56/02/95/1032560295.db2.gz FNUAGANZFRWWPM-ZWKOTPCHSA-N 1 0 306.494 3.836 20 10 DHCDRO CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773107672 1032562328 /nfs/dbraw/zinc/56/23/28/1032562328.db2.gz ZWRZIFROVVZVRN-LJQANCHMSA-N 1 0 324.472 3.703 20 10 DHCDRO Oc1cc2ccccc2cc1CNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171399097 1032582113 /nfs/dbraw/zinc/58/21/13/1032582113.db2.gz CAZKJJOCLAGNJV-SFHVURJKSA-N 1 0 319.408 3.977 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccco3)CC2)cc1 ZINC000160187156 1011959354 /nfs/dbraw/zinc/95/93/54/1011959354.db2.gz ISXREMZVBLVVIL-AWEZNQCLSA-N 1 0 300.402 3.608 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C(C)C)C3)cc2)CC1 ZINC000828030181 1012374402 /nfs/dbraw/zinc/37/44/02/1012374402.db2.gz BOHCNOPRLWGDSB-SFHVURJKSA-N 1 0 316.489 3.780 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2Cl)c1O ZINC000036936669 1032624459 /nfs/dbraw/zinc/62/44/59/1032624459.db2.gz UAJMENDARRYUMR-GFCCVEGCSA-N 1 0 305.805 3.775 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@H]1C[NH3+] ZINC001205983212 1032639526 /nfs/dbraw/zinc/63/95/26/1032639526.db2.gz OJHLLEVWQDZKBR-MNOVXSKESA-N 1 0 317.260 3.506 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000305763228 1013042852 /nfs/dbraw/zinc/04/28/52/1013042852.db2.gz ZADUJHGKDMKOKT-RLFYNMQTSA-N 1 0 316.445 3.899 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)c1 ZINC000185743383 1017136368 /nfs/dbraw/zinc/13/63/68/1017136368.db2.gz MFJUEZNQSVBJMC-YVEFUNNKSA-N 1 0 313.397 3.748 20 10 DHCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286581 1017221665 /nfs/dbraw/zinc/22/16/65/1017221665.db2.gz JOMPRZKLXYMOCK-AWEZNQCLSA-N 1 0 300.471 3.851 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000192916775 1017225138 /nfs/dbraw/zinc/22/51/38/1017225138.db2.gz SMFBEPYVSHJOBD-WBVHZDCISA-N 1 0 314.429 3.781 20 10 DHCDRO CCCOc1ncccc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840885262 1017362812 /nfs/dbraw/zinc/36/28/12/1017362812.db2.gz WJVRSTPTYSDJKE-UHFFFAOYSA-N 1 0 320.820 3.828 20 10 DHCDRO FC(F)Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921507818 1017398646 /nfs/dbraw/zinc/39/86/46/1017398646.db2.gz KXTCYBSRUXMFPK-UHFFFAOYSA-N 1 0 319.351 3.903 20 10 DHCDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907065 1017446865 /nfs/dbraw/zinc/44/68/65/1017446865.db2.gz MCFSQLYUSLKEIJ-JTQLQIEISA-N 1 0 308.809 3.852 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2c(O)cc(C)cc2Cl)s1 ZINC000840917927 1017479028 /nfs/dbraw/zinc/47/90/28/1017479028.db2.gz YRGRTVQAJMIRCX-UHFFFAOYSA-N 1 0 310.850 3.793 20 10 DHCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000840964850 1017604294 /nfs/dbraw/zinc/60/42/94/1017604294.db2.gz VZCMVUBHGYJSCP-ZFDPJTLLSA-N 1 0 300.368 3.944 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1F ZINC000840969144 1017684889 /nfs/dbraw/zinc/68/48/89/1017684889.db2.gz YMGQARWQDPEOPE-WCQYABFASA-N 1 0 300.368 3.805 20 10 DHCDRO C[C@@H]([NH2+]CCCc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000186140840 1017912687 /nfs/dbraw/zinc/91/26/87/1017912687.db2.gz UPAPAFFRYVVBON-OAHLLOKOSA-N 1 0 310.441 3.949 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000701060486 1017996371 /nfs/dbraw/zinc/99/63/71/1017996371.db2.gz TVWSREVZWGYUQZ-CYBMUJFWSA-N 1 0 322.202 3.915 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000125200195 1032750467 /nfs/dbraw/zinc/75/04/67/1032750467.db2.gz YNPWAWDDYSKWIA-KRWDZBQOSA-N 1 0 322.543 3.615 20 10 DHCDRO CCc1cccc2cc(C[NH2+]Cc3ccc(OC)cc3O)oc21 ZINC000825753048 1032755571 /nfs/dbraw/zinc/75/55/71/1032755571.db2.gz MKOIIRMALMAXLH-UHFFFAOYSA-N 1 0 311.381 3.999 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000764883094 1018415972 /nfs/dbraw/zinc/41/59/72/1018415972.db2.gz PPWLHRBAELFWGI-DLBZAZTESA-N 1 0 303.494 3.668 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922896000 1018439065 /nfs/dbraw/zinc/43/90/65/1018439065.db2.gz IDHPMNHTMZJKEX-HNSGPZLQSA-N 1 0 314.473 3.561 20 10 DHCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)n1 ZINC000765107674 1018477086 /nfs/dbraw/zinc/47/70/86/1018477086.db2.gz XYPUTXDSIKGHAD-IBGZPJMESA-N 1 0 319.408 3.981 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)C ZINC000765128617 1018485022 /nfs/dbraw/zinc/48/50/22/1018485022.db2.gz WRDWIUPUJYCMJQ-RBSFLKMASA-N 1 0 322.468 3.964 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000125237607 1032771358 /nfs/dbraw/zinc/77/13/58/1032771358.db2.gz JVMLLVWNFRAVLD-YJBOKZPZSA-N 1 0 314.429 3.654 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1F ZINC000858118409 1032775082 /nfs/dbraw/zinc/77/50/82/1032775082.db2.gz ZKDBQEQBWKQDHA-QGZVFWFLSA-N 1 0 320.358 3.947 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765279129 1018745174 /nfs/dbraw/zinc/74/51/74/1018745174.db2.gz FRAQXAVILOFDMX-HKUYNNGSSA-N 1 0 315.505 3.812 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000765447408 1018790858 /nfs/dbraw/zinc/79/08/58/1018790858.db2.gz BZPAXAFFKJYTAL-AWEZNQCLSA-N 1 0 301.459 3.984 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000317978642 1018803121 /nfs/dbraw/zinc/80/31/21/1018803121.db2.gz CSQDQZMMJBOCGT-UHFFFAOYSA-N 1 0 300.358 3.510 20 10 DHCDRO COc1cccc(CN2CCc3sc(Cl)cc3C2)c1O ZINC000843416105 1018861376 /nfs/dbraw/zinc/86/13/76/1018861376.db2.gz ONFJRVSAMKDUIX-UHFFFAOYSA-N 1 0 309.818 3.674 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000858182801 1032792823 /nfs/dbraw/zinc/79/28/23/1032792823.db2.gz IMEAYLZIAUKLCI-SLUIBLPYSA-N 1 0 314.473 3.546 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921528938 1018929304 /nfs/dbraw/zinc/92/93/04/1018929304.db2.gz WDUADYLGHOUPSO-GBESFXJTSA-N 1 0 314.473 3.582 20 10 DHCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000715707418 1018944911 /nfs/dbraw/zinc/94/49/11/1018944911.db2.gz FMHLGSAOIMDEPT-HIFRSBDPSA-N 1 0 317.429 3.524 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCOc3ccccc32)c1 ZINC000923026216 1018990302 /nfs/dbraw/zinc/99/03/02/1018990302.db2.gz SGJBPTUUHGTKAE-IBGZPJMESA-N 1 0 313.397 3.578 20 10 DHCDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607882 1018999180 /nfs/dbraw/zinc/99/91/80/1018999180.db2.gz FALFHGFIIDCWRF-SFHVURJKSA-N 1 0 309.409 3.933 20 10 DHCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000765610532 1019001345 /nfs/dbraw/zinc/00/13/45/1019001345.db2.gz VUZPAPCIMRHLJW-SFHVURJKSA-N 1 0 309.409 3.933 20 10 DHCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765631596 1019013805 /nfs/dbraw/zinc/01/38/05/1019013805.db2.gz STPRMKFSZAOOQW-CABCVRRESA-N 1 0 308.441 3.892 20 10 DHCDRO CSCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134922395 1019052486 /nfs/dbraw/zinc/05/24/86/1019052486.db2.gz PXULXLQIYSSJDS-SECBINFHSA-N 1 0 304.253 3.558 20 10 DHCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134922619 1019053277 /nfs/dbraw/zinc/05/32/77/1019053277.db2.gz JZYZATZCLVUPSN-BDAKNGLRSA-N 1 0 304.253 3.557 20 10 DHCDRO C[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278730943 1019104897 /nfs/dbraw/zinc/10/48/97/1019104897.db2.gz MTZBBBMPUVBBKB-VIFPVBQESA-N 1 0 320.216 3.503 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765955579 1019115672 /nfs/dbraw/zinc/11/56/72/1019115672.db2.gz AYYKURUAXWHLJD-LPHOPBHVSA-N 1 0 302.462 3.754 20 10 DHCDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921923253 1019117667 /nfs/dbraw/zinc/11/76/67/1019117667.db2.gz DXGCNOOQALCDTO-GFCCVEGCSA-N 1 0 300.402 3.510 20 10 DHCDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825773971 1032809654 /nfs/dbraw/zinc/80/96/54/1032809654.db2.gz SAMWFIXAMVOXDW-DZGCQCFKSA-N 1 0 321.461 3.698 20 10 DHCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000858237153 1032811044 /nfs/dbraw/zinc/81/10/44/1032811044.db2.gz HHONJNRABZVMCP-UHFFFAOYSA-N 1 0 301.434 3.559 20 10 DHCDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CCC2 ZINC000921981902 1019257229 /nfs/dbraw/zinc/25/72/29/1019257229.db2.gz WXPOXDHOALREBL-OAHLLOKOSA-N 1 0 314.454 3.944 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1O ZINC000858258343 1032820259 /nfs/dbraw/zinc/82/02/59/1032820259.db2.gz DOGZOTKGCNGCOS-QAQDUYKDSA-N 1 0 321.461 3.864 20 10 DHCDRO CC(C)(C)c1cccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001143104315 1019376298 /nfs/dbraw/zinc/37/62/98/1019376298.db2.gz RVMJMNCDBKJAIP-LJQANCHMSA-N 1 0 305.462 3.673 20 10 DHCDRO c1cnc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2c1 ZINC000922078365 1019409377 /nfs/dbraw/zinc/40/93/77/1019409377.db2.gz YJCTUBPSZQOVTQ-UHFFFAOYSA-N 1 0 304.393 3.850 20 10 DHCDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)c(O)c1 ZINC000728592994 1019727296 /nfs/dbraw/zinc/72/72/96/1019727296.db2.gz IAAKEDJBLOJBFU-UHFFFAOYSA-N 1 0 303.377 3.955 20 10 DHCDRO CC[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000727824177 1019824201 /nfs/dbraw/zinc/82/42/01/1019824201.db2.gz NWCZPDBVBHBZOQ-AWEZNQCLSA-N 1 0 313.397 3.706 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]c(=O)c3ccccc23)c1 ZINC001168713067 1019876539 /nfs/dbraw/zinc/87/65/39/1019876539.db2.gz TWXNFWOFKHDFQG-LBPRGKRZSA-N 1 0 324.380 3.505 20 10 DHCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000309653239 1019936280 /nfs/dbraw/zinc/93/62/80/1019936280.db2.gz ARRASAZXKXHNLJ-HUUCEWRRSA-N 1 0 316.420 3.702 20 10 DHCDRO CCC[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@H]1CCCCO1 ZINC000730256128 1019969576 /nfs/dbraw/zinc/96/95/76/1019969576.db2.gz VCCUEXJHNSGGGE-GOSISDBHSA-N 1 0 303.446 3.662 20 10 DHCDRO COc1ccc(C[NH2+]C(C)(C)/C=C\Cl)cc1Cn1cccn1 ZINC000922645608 1020186379 /nfs/dbraw/zinc/18/63/79/1020186379.db2.gz SNWYNIRZWLJVTE-FPLPWBNLSA-N 1 0 319.836 3.561 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922679133 1020211787 /nfs/dbraw/zinc/21/17/87/1020211787.db2.gz HHXLKJVBHWMNJT-ZFWWWQNUSA-N 1 0 317.351 3.599 20 10 DHCDRO CCOc1ccc(C[NH2+]CCc2cnc3ccccc3c2)c(O)c1 ZINC000922703704 1020223279 /nfs/dbraw/zinc/22/32/79/1020223279.db2.gz KMUXVWZBTNIRGF-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCC3CC3)CC2)cc1 ZINC000186309339 1020228402 /nfs/dbraw/zinc/22/84/02/1020228402.db2.gz FVQBUVCCKUDMLD-HNNXBMFYSA-N 1 0 302.462 3.832 20 10 DHCDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000186569467 1020229341 /nfs/dbraw/zinc/22/93/41/1020229341.db2.gz AAXQVBQEAIEZGV-GXTWGEPZSA-N 1 0 303.475 3.972 20 10 DHCDRO FC1(F)[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1ccccc1 ZINC000922776561 1020258545 /nfs/dbraw/zinc/25/85/45/1020258545.db2.gz QOXWAGRORAALFD-WMZOPIPTSA-N 1 0 315.363 3.760 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1 ZINC000732669635 1020266747 /nfs/dbraw/zinc/26/67/47/1020266747.db2.gz QPWAHQOQUCUBBT-LJQANCHMSA-N 1 0 304.478 3.564 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCS1 ZINC000922839494 1020302838 /nfs/dbraw/zinc/30/28/38/1020302838.db2.gz UCMKAIOQKVIMKL-VHSXEESVSA-N 1 0 316.264 3.528 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421855384 1020337321 /nfs/dbraw/zinc/33/73/21/1020337321.db2.gz MUFKOWXQSRCKPB-QGZVFWFLSA-N 1 0 319.452 3.919 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)c2ccccc2)cc1F ZINC000733323941 1020369454 /nfs/dbraw/zinc/36/94/54/1020369454.db2.gz ARGCUMQWCATYPF-UHFFFAOYSA-N 1 0 300.421 3.959 20 10 DHCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2c(O)cccc2Cl)C1 ZINC000733325213 1020371382 /nfs/dbraw/zinc/37/13/82/1020371382.db2.gz FBAZKUDDOHLFPV-OKILXGFUSA-N 1 0 324.896 3.892 20 10 DHCDRO CN(CCC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1F ZINC000733324958 1020371885 /nfs/dbraw/zinc/37/18/85/1020371885.db2.gz NNZGZHSNOQWSOO-UHFFFAOYSA-N 1 0 322.811 3.801 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1cccc(Cl)c1 ZINC000733325108 1020372113 /nfs/dbraw/zinc/37/21/13/1020372113.db2.gz XRLOVFIQZPUOOC-UHFFFAOYSA-N 1 0 312.196 3.868 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000733326140 1020372296 /nfs/dbraw/zinc/37/22/96/1020372296.db2.gz KYJKDNGJISIYDE-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccccc1O ZINC000858442588 1032896266 /nfs/dbraw/zinc/89/62/66/1032896266.db2.gz KAPUWAICOWTUJT-HKUYNNGSSA-N 1 0 315.413 3.829 20 10 DHCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000765855165 1020519805 /nfs/dbraw/zinc/51/98/05/1020519805.db2.gz UWONQNWBCMMYRX-ZACQAIPSSA-N 1 0 303.494 3.666 20 10 DHCDRO CCC[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000378815587 1020521835 /nfs/dbraw/zinc/52/18/35/1020521835.db2.gz BOYOIDUSANIHRJ-IBGZPJMESA-N 1 0 302.462 3.726 20 10 DHCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765868569 1020531585 /nfs/dbraw/zinc/53/15/85/1020531585.db2.gz PIFBARJKAAVTQU-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)Oc1ccccc1 ZINC000734160459 1020569866 /nfs/dbraw/zinc/56/98/66/1020569866.db2.gz BHLUMKJHLORKHU-UHFFFAOYSA-N 1 0 305.805 3.993 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044223 1020580780 /nfs/dbraw/zinc/58/07/80/1020580780.db2.gz OAVZHBLECBDQRM-IFXJQAMLSA-N 1 0 324.472 3.969 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411274 1020694577 /nfs/dbraw/zinc/69/45/77/1020694577.db2.gz NMAVBTNOBQKMCG-TVQRCGJNSA-N 1 0 307.752 3.969 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCOC(C)(C)C3)c2c1 ZINC000735298411 1020714982 /nfs/dbraw/zinc/71/49/82/1020714982.db2.gz RSYBZWGOYMKEBN-UHFFFAOYSA-N 1 0 315.413 3.555 20 10 DHCDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000736361298 1020810517 /nfs/dbraw/zinc/81/05/17/1020810517.db2.gz SIGICZBPJIIPRV-HNNXBMFYSA-N 1 0 322.468 3.967 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1C(C)C ZINC000738104326 1020861677 /nfs/dbraw/zinc/86/16/77/1020861677.db2.gz KZNCRXGAVXXUBM-GOSISDBHSA-N 1 0 316.489 3.884 20 10 DHCDRO Cc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000738145064 1020862738 /nfs/dbraw/zinc/86/27/38/1020862738.db2.gz NJSOFHXJCUYNJX-INIZCTEOSA-N 1 0 304.478 3.524 20 10 DHCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCCO1 ZINC000738060234 1020863459 /nfs/dbraw/zinc/86/34/59/1020863459.db2.gz BQZYUFNFOMQFBE-ZDUSSCGKSA-N 1 0 315.413 3.628 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)Cc2cnccn2)c(C)n1-c1ccccc1 ZINC000858542191 1032938338 /nfs/dbraw/zinc/93/83/38/1032938338.db2.gz IXABGEJJUXBLJF-OAHLLOKOSA-N 1 0 320.440 3.605 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000858544103 1032940805 /nfs/dbraw/zinc/94/08/05/1032940805.db2.gz YPHOZBCZNIWOGK-MRXNPFEDSA-N 1 0 322.456 3.987 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@](C)(CC)c2nccs2)c(O)c1 ZINC000740014892 1020927707 /nfs/dbraw/zinc/92/77/07/1020927707.db2.gz YINXVHDYAKCDNH-INIZCTEOSA-N 1 0 306.431 3.662 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)cc1F ZINC000740014206 1020927788 /nfs/dbraw/zinc/92/77/88/1020927788.db2.gz OEKSJHNFPMUFGP-UHFFFAOYSA-N 1 0 316.395 3.852 20 10 DHCDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546268 1032941952 /nfs/dbraw/zinc/94/19/52/1032941952.db2.gz QSNWULPPVVVYBG-QKYXUNIQSA-N 1 0 314.473 3.895 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000740899612 1020962027 /nfs/dbraw/zinc/96/20/27/1020962027.db2.gz ANJONLMXEXAXOZ-IBGZPJMESA-N 1 0 306.494 3.810 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(O)cc(F)c1 ZINC000924648006 1032949364 /nfs/dbraw/zinc/94/93/64/1032949364.db2.gz KDZRLRARJBAQKF-AWEZNQCLSA-N 1 0 314.404 3.982 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000310817245 1021058880 /nfs/dbraw/zinc/05/88/80/1021058880.db2.gz GWBJTRDPXWJTSD-RYUDHWBXSA-N 1 0 310.235 3.777 20 10 DHCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000742160121 1021096829 /nfs/dbraw/zinc/09/68/29/1021096829.db2.gz BFULCDSDPCJHRR-NRFANRHFSA-N 1 0 323.436 3.763 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2(c3ccccc3)CCOCC2)cc1C ZINC000742372866 1021112779 /nfs/dbraw/zinc/11/27/79/1021112779.db2.gz JMVBAKFMPAUKRI-UHFFFAOYSA-N 1 0 311.425 3.805 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000742376857 1021114534 /nfs/dbraw/zinc/11/45/34/1021114534.db2.gz AXHLMOLKKYKLGR-KRWDZBQOSA-N 1 0 321.804 3.532 20 10 DHCDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000742379469 1021116351 /nfs/dbraw/zinc/11/63/51/1021116351.db2.gz CJELPJCVBNYNJB-CYBMUJFWSA-N 1 0 304.409 3.904 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c(O)c1OC ZINC000892633724 1021130158 /nfs/dbraw/zinc/13/01/58/1021130158.db2.gz XERCVYHWTNCOBJ-SNVBAGLBSA-N 1 0 323.339 3.538 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)c(O)c1OC ZINC000892669026 1021257146 /nfs/dbraw/zinc/25/71/46/1021257146.db2.gz OLIXRVJDZCBHCT-NSHDSACASA-N 1 0 307.415 3.630 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000154582590 1021407048 /nfs/dbraw/zinc/40/70/48/1021407048.db2.gz OHKUOOBENCUSEF-GOSISDBHSA-N 1 0 304.478 3.517 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850326010 1021475002 /nfs/dbraw/zinc/47/50/02/1021475002.db2.gz GJBFHUBFKYOUHE-ZDUSSCGKSA-N 1 0 321.461 3.746 20 10 DHCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000850345052 1021480785 /nfs/dbraw/zinc/48/07/85/1021480785.db2.gz HQDITIIQEUGKGO-UHFFFAOYSA-N 1 0 302.462 3.726 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H](C)c2ccccn2)ccc1OC ZINC000850342360 1021480967 /nfs/dbraw/zinc/48/09/67/1021480967.db2.gz QAKGWWGXTBEINJ-HNNXBMFYSA-N 1 0 314.429 3.520 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000850347295 1021481321 /nfs/dbraw/zinc/48/13/21/1021481321.db2.gz PTZFCRUSACOGBP-MRXNPFEDSA-N 1 0 321.424 3.545 20 10 DHCDRO c1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)ccnc2c1 ZINC000850355474 1021483664 /nfs/dbraw/zinc/48/36/64/1021483664.db2.gz FMZLRRPHAUCVAA-UHFFFAOYSA-N 1 0 304.393 3.502 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccnc3ccccc23)c1O ZINC000850356417 1021486760 /nfs/dbraw/zinc/48/67/60/1021486760.db2.gz RUAZUQXTDWNIOQ-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850362915 1021488397 /nfs/dbraw/zinc/48/83/97/1021488397.db2.gz VAHCUSSAOMJNRP-MRXNPFEDSA-N 1 0 321.804 3.532 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000850381266 1021501241 /nfs/dbraw/zinc/50/12/41/1021501241.db2.gz ZDFPPIZPJIHWHF-KRWDZBQOSA-N 1 0 324.415 3.689 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850386179 1021503679 /nfs/dbraw/zinc/50/36/79/1021503679.db2.gz GTWBNGOPFWCOCH-UHFFFAOYSA-N 1 0 323.436 3.700 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1O ZINC000850387832 1021504161 /nfs/dbraw/zinc/50/41/61/1021504161.db2.gz ANNNNCIQLUNGBP-CVEARBPZSA-N 1 0 319.445 3.617 20 10 DHCDRO OC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC1CC1 ZINC000850388993 1021505370 /nfs/dbraw/zinc/50/53/70/1021505370.db2.gz RIZHLENTKYUKPB-INIZCTEOSA-N 1 0 311.425 3.557 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394850 1021507901 /nfs/dbraw/zinc/50/79/01/1021507901.db2.gz GPIZQLPMNKMLHI-PMACEKPBSA-N 1 0 313.441 3.857 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406608 1021513259 /nfs/dbraw/zinc/51/32/59/1021513259.db2.gz NAURBNULXUDOMO-BEFAXECRSA-N 1 0 316.489 3.562 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000850429747 1021526549 /nfs/dbraw/zinc/52/65/49/1021526549.db2.gz IREWTRQOECROSV-OAHLLOKOSA-N 1 0 320.502 3.539 20 10 DHCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000744448499 1021548590 /nfs/dbraw/zinc/54/85/90/1021548590.db2.gz KGVSXXOILDNKGH-ICSRJNTNSA-N 1 0 316.489 3.970 20 10 DHCDRO CCOC1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000850473249 1021554906 /nfs/dbraw/zinc/55/49/06/1021554906.db2.gz DDBJKSANHVANHQ-PPDQVPDSSA-N 1 0 318.505 3.929 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccsc3)C2)cc1 ZINC000850486262 1021558279 /nfs/dbraw/zinc/55/82/79/1021558279.db2.gz BLKQRXRONLGOLM-GOEBONIOSA-N 1 0 316.470 3.556 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529814 1021582309 /nfs/dbraw/zinc/58/23/09/1021582309.db2.gz UBKJDGIWLGWYQO-ZCNNSNEGSA-N 1 0 310.441 3.972 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850537847 1021592957 /nfs/dbraw/zinc/59/29/57/1021592957.db2.gz AHIINZNXBPAPJM-QAPCUYQASA-N 1 0 302.462 3.840 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1 ZINC000850551383 1021600317 /nfs/dbraw/zinc/60/03/17/1021600317.db2.gz RIMOBZACKVIEOB-CQSZACIVSA-N 1 0 313.445 3.861 20 10 DHCDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000850556161 1021602645 /nfs/dbraw/zinc/60/26/45/1021602645.db2.gz RKKYLQFWEREMOV-VXESANQCSA-N 1 0 316.489 3.879 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850557935 1021604234 /nfs/dbraw/zinc/60/42/34/1021604234.db2.gz ONAGEMLHCSHBDG-LIRRHRJNSA-N 1 0 320.452 3.748 20 10 DHCDRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566948 1021610818 /nfs/dbraw/zinc/61/08/18/1021610818.db2.gz VEGKZHKDRSZRCY-INIZCTEOSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568354 1021610891 /nfs/dbraw/zinc/61/08/91/1021610891.db2.gz WEXYDCSCTAVIIA-JXFKEZNVSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]([NH2+]CCC1SCCS1)c1ccc(Cl)cc1O ZINC000850569049 1021610946 /nfs/dbraw/zinc/61/09/46/1021610946.db2.gz RQDHMHNXNLFCFA-SECBINFHSA-N 1 0 303.880 3.892 20 10 DHCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000850567341 1021611050 /nfs/dbraw/zinc/61/10/50/1021611050.db2.gz AAECJFKRSFRYCD-JXXFODFXSA-N 1 0 316.489 3.562 20 10 DHCDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568355 1021611410 /nfs/dbraw/zinc/61/14/10/1021611410.db2.gz WEXYDCSCTAVIIA-OXJNMPFZSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@H]([NH2+]CCC1SCCS1)c1ccc(N(C)C)cc1 ZINC000850571066 1021614288 /nfs/dbraw/zinc/61/42/88/1021614288.db2.gz QCUVASISTCIRAT-HNNXBMFYSA-N 1 0 310.532 3.990 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c1 ZINC000379637262 1021637639 /nfs/dbraw/zinc/63/76/39/1021637639.db2.gz SHGKMYPBJVLCJE-UHFFFAOYSA-N 1 0 312.457 3.701 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000182441575 1021654329 /nfs/dbraw/zinc/65/43/29/1021654329.db2.gz MDAGMOVGNDUZOI-JTQLQIEISA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2C)c(O)c1OC ZINC000892949514 1021726224 /nfs/dbraw/zinc/72/62/24/1021726224.db2.gz XKGNETJKVHREFY-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO c1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000155063543 1021856433 /nfs/dbraw/zinc/85/64/33/1021856433.db2.gz GQRIJDGLAUDJNN-FQEVSTJZSA-N 1 0 322.452 3.513 20 10 DHCDRO CCc1cc(C[N@@H+]2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000919941359 1021976031 /nfs/dbraw/zinc/97/60/31/1021976031.db2.gz YFKFXANILDOBEI-UHFFFAOYSA-N 1 0 305.462 3.863 20 10 DHCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)c1 ZINC000179657643 1022072499 /nfs/dbraw/zinc/07/24/99/1022072499.db2.gz NTOXLVNGHYYNRG-GOSISDBHSA-N 1 0 313.397 3.747 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H](C)c2ccncc2)ccc1OC ZINC000749298737 1022074470 /nfs/dbraw/zinc/07/44/70/1022074470.db2.gz WZIBHGXDWOHPKL-HNNXBMFYSA-N 1 0 314.429 3.520 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H]2SCCc3ccccc32)c1O ZINC000749300216 1022080847 /nfs/dbraw/zinc/08/08/47/1022080847.db2.gz XIAPWFGMXYEZEP-KRWDZBQOSA-N 1 0 315.438 3.521 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000920304932 1022100772 /nfs/dbraw/zinc/10/07/72/1022100772.db2.gz GOTLLNRFUYFUDG-OXQOHEQNSA-N 1 0 311.425 3.971 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766497707 1022134382 /nfs/dbraw/zinc/13/43/82/1022134382.db2.gz PEBGUMPSLJFRQQ-RDTXWAMCSA-N 1 0 320.452 3.892 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000852595725 1022146962 /nfs/dbraw/zinc/14/69/62/1022146962.db2.gz UMGZTKYVIPFKLD-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000852598557 1022147114 /nfs/dbraw/zinc/14/71/14/1022147114.db2.gz XCEMFYYLCQKUHP-IEBWSBKVSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000183451583 1022147423 /nfs/dbraw/zinc/14/74/23/1022147423.db2.gz CBZWRGQPCPIKPL-CABCVRRESA-N 1 0 324.424 3.931 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCNc2ccccn2)cc1 ZINC000766516407 1022158592 /nfs/dbraw/zinc/15/85/92/1022158592.db2.gz YBMLAVFMVMEMDT-INIZCTEOSA-N 1 0 312.461 3.691 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000071408205 1022181123 /nfs/dbraw/zinc/18/11/23/1022181123.db2.gz NCWCGPUVEMZSAE-UHFFFAOYSA-N 1 0 324.193 3.892 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239124 1022240002 /nfs/dbraw/zinc/24/00/02/1022240002.db2.gz AKDOHSUEZDQAOY-HIFRSBDPSA-N 1 0 322.880 3.818 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCCF ZINC000853238773 1022240404 /nfs/dbraw/zinc/24/04/04/1022240404.db2.gz QIIDGIGDNVORCN-SFHVURJKSA-N 1 0 317.404 3.642 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241383 1022241857 /nfs/dbraw/zinc/24/18/57/1022241857.db2.gz LSTVMINRQYRXDJ-RHSMWYFYSA-N 1 0 319.408 3.916 20 10 DHCDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766574938 1022242292 /nfs/dbraw/zinc/24/22/92/1022242292.db2.gz WHUVDEBDKAQBGE-HDMKZQKVSA-N 1 0 320.452 3.892 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546303 1022290195 /nfs/dbraw/zinc/29/01/95/1022290195.db2.gz ZAOIUPAJRIAITE-INIZCTEOSA-N 1 0 301.361 3.795 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852132 1022337691 /nfs/dbraw/zinc/33/76/91/1022337691.db2.gz JIPIOCXGEAONSD-MGPUTAFESA-N 1 0 321.424 3.874 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1O ZINC000309647227 1022353441 /nfs/dbraw/zinc/35/34/41/1022353441.db2.gz DDHQLKZRCXHFQF-FRQCXROJSA-N 1 0 310.441 3.706 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2c1c(F)ccc2O ZINC000756441068 1022375078 /nfs/dbraw/zinc/37/50/78/1022375078.db2.gz HIHVGRLLPOUOKG-VXNVDRBHSA-N 1 0 309.328 3.922 20 10 DHCDRO CC1CC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000184371322 1022397053 /nfs/dbraw/zinc/39/70/53/1022397053.db2.gz OJYFHHSYBFUSRF-ROKHWSDSSA-N 1 0 310.388 3.645 20 10 DHCDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854222521 1022433144 /nfs/dbraw/zinc/43/31/44/1022433144.db2.gz HUXWUZSNKBVJTO-SECBINFHSA-N 1 0 303.233 3.621 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854226873 1022435613 /nfs/dbraw/zinc/43/56/13/1022435613.db2.gz SAPLXXPYHGINED-QFYYESIMSA-N 1 0 302.805 3.966 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000179568265 1022472517 /nfs/dbraw/zinc/47/25/17/1022472517.db2.gz NAOGQGXKGFMHPG-INIZCTEOSA-N 1 0 311.381 3.501 20 10 DHCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2c(cc1C)NC(=O)C2 ZINC001169690943 1022501996 /nfs/dbraw/zinc/50/19/96/1022501996.db2.gz NJSDUBIOJFTKHB-INIZCTEOSA-N 1 0 321.424 3.730 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](F)CC2)cc1Br ZINC001237677328 1022514202 /nfs/dbraw/zinc/51/42/02/1022514202.db2.gz LSBQNMRLJROOKE-LBPRGKRZSA-N 1 0 316.214 3.787 20 10 DHCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001169753952 1022531205 /nfs/dbraw/zinc/53/12/05/1022531205.db2.gz DZEPVAMZFZZSPS-IEZWGBDMSA-N 1 0 303.446 3.952 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000776770569 1022558100 /nfs/dbraw/zinc/55/81/00/1022558100.db2.gz BGGCYJWGYDUDCT-IBGZPJMESA-N 1 0 311.425 3.936 20 10 DHCDRO CCOc1ccccc1C[N@H+](C)Cc1cccc(OCC)c1O ZINC000180039259 1022622432 /nfs/dbraw/zinc/62/24/32/1022622432.db2.gz QVJYCICAPBETLK-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO C[N@H+](CCCC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000781884189 1022625393 /nfs/dbraw/zinc/62/53/93/1022625393.db2.gz ACBLOOOMIMTMJY-UHFFFAOYSA-N 1 0 304.478 3.781 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1C ZINC000767417115 1022704981 /nfs/dbraw/zinc/70/49/81/1022704981.db2.gz HTOATKMLXWMZIJ-UHFFFAOYSA-N 1 0 314.429 3.866 20 10 DHCDRO Cn1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1Cl ZINC000859138790 1033079285 /nfs/dbraw/zinc/07/92/85/1033079285.db2.gz IXSACBDMLJZDPN-UHFFFAOYSA-N 1 0 319.836 3.724 20 10 DHCDRO C[N@H+](CCC[C@@H]1CCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000876512040 1033083318 /nfs/dbraw/zinc/08/33/18/1033083318.db2.gz YOPDRIIWZLQFLP-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1cccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1O ZINC000180703766 1022786007 /nfs/dbraw/zinc/78/60/07/1022786007.db2.gz QEIYBABJGBXWMJ-IBGZPJMESA-N 1 0 311.425 3.534 20 10 DHCDRO Oc1ccccc1C[N@H+](CCC[C@H]1CCO1)Cc1ccco1 ZINC000876511080 1033080458 /nfs/dbraw/zinc/08/04/58/1033080458.db2.gz VUZGNPRYKKKFSC-INIZCTEOSA-N 1 0 301.386 3.557 20 10 DHCDRO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000742375705 1022824728 /nfs/dbraw/zinc/82/47/28/1022824728.db2.gz RXTFOJCREOLDEM-FQEVSTJZSA-N 1 0 323.392 3.650 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccc(Cl)cc1 ZINC000742386796 1022827880 /nfs/dbraw/zinc/82/78/80/1022827880.db2.gz BWAJTQSIPMOYNI-CYBMUJFWSA-N 1 0 317.816 3.832 20 10 DHCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000068962491 1022830661 /nfs/dbraw/zinc/83/06/61/1022830661.db2.gz USUAREDCKOHUQX-OAHLLOKOSA-N 1 0 323.396 3.616 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)ccc1OC ZINC000767929957 1022843139 /nfs/dbraw/zinc/84/31/39/1022843139.db2.gz UJONLTDYJKGPRO-OAHLLOKOSA-N 1 0 313.388 3.899 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000767930834 1022845004 /nfs/dbraw/zinc/84/50/04/1022845004.db2.gz YMYTWKWOJLICIB-SFHVURJKSA-N 1 0 314.473 3.868 20 10 DHCDRO CC(C)[C@H](C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768138897 1022903615 /nfs/dbraw/zinc/90/36/15/1022903615.db2.gz WHACEYIZKAICGN-HNNXBMFYSA-N 1 0 320.452 3.671 20 10 DHCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C)ccc1O ZINC000768204276 1022917074 /nfs/dbraw/zinc/91/70/74/1022917074.db2.gz WDFALROGQOPRLS-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000768338696 1022946765 /nfs/dbraw/zinc/94/67/65/1022946765.db2.gz OHJXFBTWHWSPIN-SNVBAGLBSA-N 1 0 316.239 3.784 20 10 DHCDRO Cc1ncsc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768358495 1022952086 /nfs/dbraw/zinc/95/20/86/1022952086.db2.gz XNYUOPURNZSJQL-UHFFFAOYSA-N 1 0 303.475 3.928 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000768364886 1022952673 /nfs/dbraw/zinc/95/26/73/1022952673.db2.gz PNNDZGPKVJKOSS-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)cc1 ZINC000768438930 1022966335 /nfs/dbraw/zinc/96/63/35/1022966335.db2.gz YDOYOAVFMHQARC-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768463847 1022972757 /nfs/dbraw/zinc/97/27/57/1022972757.db2.gz YAGVMQIJKRSVQL-ROUUACIJSA-N 1 0 315.457 3.520 20 10 DHCDRO CCC[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768465814 1022973984 /nfs/dbraw/zinc/97/39/84/1022973984.db2.gz LYQOOIZIBOESKB-SFHVURJKSA-N 1 0 307.434 3.812 20 10 DHCDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1O ZINC000768471691 1022976164 /nfs/dbraw/zinc/97/61/64/1022976164.db2.gz NUGIGOZELQRKEY-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nn1 ZINC000876584838 1033097272 /nfs/dbraw/zinc/09/72/72/1033097272.db2.gz QJDGLMWCOUXOQL-UHFFFAOYSA-N 1 0 318.852 3.607 20 10 DHCDRO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCOC1 ZINC000768520652 1022978721 /nfs/dbraw/zinc/97/87/21/1022978721.db2.gz GXKVBLMFNZCMAL-MRXNPFEDSA-N 1 0 311.425 3.918 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000768536382 1022986392 /nfs/dbraw/zinc/98/63/92/1022986392.db2.gz IWPTZTPPWURCLY-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000368651086 1022995801 /nfs/dbraw/zinc/99/58/01/1022995801.db2.gz FWMLFBYDDJNUEZ-YMRXKLBXSA-N 1 0 309.837 3.901 20 10 DHCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000768595323 1022997420 /nfs/dbraw/zinc/99/74/20/1022997420.db2.gz HRGDPYXINITEGD-KRWDZBQOSA-N 1 0 312.457 3.962 20 10 DHCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000768872171 1023042784 /nfs/dbraw/zinc/04/27/84/1023042784.db2.gz FBAOJPFMGUBSIY-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000768937893 1023060776 /nfs/dbraw/zinc/06/07/76/1023060776.db2.gz FRQOMIJUBGCHCE-UHFFFAOYSA-N 1 0 311.425 3.992 20 10 DHCDRO Cc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000123777495 1023067592 /nfs/dbraw/zinc/06/75/92/1023067592.db2.gz PTRUGEBVYXQUFX-HNNXBMFYSA-N 1 0 317.473 3.999 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(OCC)cc1O ZINC000769201466 1023101329 /nfs/dbraw/zinc/10/13/29/1023101329.db2.gz UWGBNGQTYLJSSA-UHFFFAOYSA-N 1 0 315.413 3.909 20 10 DHCDRO CCC1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769232788 1023103146 /nfs/dbraw/zinc/10/31/46/1023103146.db2.gz LYOABGREUIAFAB-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1O ZINC000769229520 1023104210 /nfs/dbraw/zinc/10/42/10/1023104210.db2.gz MJGMWNKYOQYQPR-GOSISDBHSA-N 1 0 311.425 3.998 20 10 DHCDRO c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000769313558 1023119624 /nfs/dbraw/zinc/11/96/24/1023119624.db2.gz UMOUOVNMKJZSMW-HXUWFJFHSA-N 1 0 324.472 3.711 20 10 DHCDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769312396 1023119805 /nfs/dbraw/zinc/11/98/05/1023119805.db2.gz LXCTXJBPFDITCW-GOSISDBHSA-N 1 0 320.452 3.673 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000769316605 1023120640 /nfs/dbraw/zinc/12/06/40/1023120640.db2.gz KNTVLRXEJSIGSF-INIZCTEOSA-N 1 0 311.381 3.766 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000769426835 1023147248 /nfs/dbraw/zinc/14/72/48/1023147248.db2.gz IRIDDLBLPBBZOC-GOSISDBHSA-N 1 0 315.438 3.691 20 10 DHCDRO COc1cccc(C[NH+]2CCC(c3ccccc3F)CC2)c1O ZINC000769465278 1023159916 /nfs/dbraw/zinc/15/99/16/1023159916.db2.gz FAUIUTKOIYIQNA-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000769468239 1023161544 /nfs/dbraw/zinc/16/15/44/1023161544.db2.gz FGBUSXRKJUWCBM-UHFFFAOYSA-N 1 0 314.473 3.822 20 10 DHCDRO CO[C@H](C)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000769474080 1023163551 /nfs/dbraw/zinc/16/35/51/1023163551.db2.gz RMVDXEVVJLHLEZ-QGZVFWFLSA-N 1 0 304.478 3.922 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769476209 1023164732 /nfs/dbraw/zinc/16/47/32/1023164732.db2.gz XGPFVDWQJAFVCE-UZLBHIALSA-N 1 0 311.425 3.971 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1O ZINC000769499338 1023166653 /nfs/dbraw/zinc/16/66/53/1023166653.db2.gz QLPUHQVUAUPYEY-RDJZCZTQSA-N 1 0 311.425 3.854 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000769507869 1023170374 /nfs/dbraw/zinc/17/03/74/1023170374.db2.gz PMGGGMKMGBTZSA-QGZVFWFLSA-N 1 0 301.361 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c(O)c1 ZINC000756609906 1023179079 /nfs/dbraw/zinc/17/90/79/1023179079.db2.gz PAJINJOBJOXKGK-UONOGXRCSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000780527674 1023199249 /nfs/dbraw/zinc/19/92/49/1023199249.db2.gz RCESLAVGZUMGEI-AEFFLSMTSA-N 1 0 311.425 3.902 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000770354553 1023304669 /nfs/dbraw/zinc/30/46/69/1023304669.db2.gz YANOPWMZCDYFTE-ZWKOTPCHSA-N 1 0 302.462 3.532 20 10 DHCDRO COc1ccccc1CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000770510109 1023316359 /nfs/dbraw/zinc/31/63/59/1023316359.db2.gz JMYBMTAXPNGGEB-UHFFFAOYSA-N 1 0 311.425 3.856 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749990 1023346922 /nfs/dbraw/zinc/34/69/22/1023346922.db2.gz ZIQMTPHUOPFENT-YJYMSZOUSA-N 1 0 315.388 3.626 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000771384030 1023424496 /nfs/dbraw/zinc/42/44/96/1023424496.db2.gz NFXQSZGPTDGVDX-ZDUSSCGKSA-N 1 0 301.409 3.754 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000236714503 1023459663 /nfs/dbraw/zinc/45/96/63/1023459663.db2.gz MTOPJOUFKRYDLF-UHFFFAOYSA-N 1 0 303.456 3.896 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000125323223 1023476647 /nfs/dbraw/zinc/47/66/47/1023476647.db2.gz AWONDXOFYZQCAV-INIZCTEOSA-N 1 0 315.413 3.555 20 10 DHCDRO COCCSCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000785691677 1023605580 /nfs/dbraw/zinc/60/55/80/1023605580.db2.gz AIXZQAAPSYHWRC-UHFFFAOYSA-N 1 0 323.502 3.907 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000786829167 1023726929 /nfs/dbraw/zinc/72/69/29/1023726929.db2.gz JSDAUZYVGYPAIB-UKRRQHHQSA-N 1 0 322.499 3.991 20 10 DHCDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000786955015 1023741068 /nfs/dbraw/zinc/74/10/68/1023741068.db2.gz XLMVVDVDCMBFFZ-WCQYABFASA-N 1 0 305.340 3.627 20 10 DHCDRO Cn1c(-c2ccccc2)cnc1SCCC[NH+]1CCCC1 ZINC000787489110 1023798980 /nfs/dbraw/zinc/79/89/80/1023798980.db2.gz HROYQCPIRDWCCI-UHFFFAOYSA-N 1 0 301.459 3.665 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000164608510 1023807982 /nfs/dbraw/zinc/80/79/82/1023807982.db2.gz YAMWKFBYTVKIDD-MRXNPFEDSA-N 1 0 314.477 3.779 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccoc3)CC2)cc1 ZINC000178464291 1023819247 /nfs/dbraw/zinc/81/92/47/1023819247.db2.gz LAMHYUVSVYDGFI-CQSZACIVSA-N 1 0 300.402 3.608 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756786995 1023836910 /nfs/dbraw/zinc/83/69/10/1023836910.db2.gz MXWJBBXKUODLEF-CHWSQXEVSA-N 1 0 300.402 3.770 20 10 DHCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000788077235 1023849123 /nfs/dbraw/zinc/84/91/23/1023849123.db2.gz IYCAMBKWDUIHMR-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000788245508 1023864227 /nfs/dbraw/zinc/86/42/27/1023864227.db2.gz CTKONIIGQZAFMY-UHFFFAOYSA-N 1 0 302.462 3.642 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(N(C)C)cc1 ZINC000788523548 1023900236 /nfs/dbraw/zinc/90/02/36/1023900236.db2.gz PDYMKEBAWGSYIZ-ZDUSSCGKSA-N 1 0 310.401 3.587 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000788537852 1023901278 /nfs/dbraw/zinc/90/12/78/1023901278.db2.gz KLPHOAHAWXACCL-MSOLQXFVSA-N 1 0 319.832 3.893 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1C ZINC000788540139 1023902147 /nfs/dbraw/zinc/90/21/47/1023902147.db2.gz RHEKXDDKDCJYLQ-VQTJNVASSA-N 1 0 313.441 3.851 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)c(O)c1 ZINC000788527209 1023905659 /nfs/dbraw/zinc/90/56/59/1023905659.db2.gz IGMXWTLGXMRLPN-XKQJLSEDSA-N 1 0 304.478 3.780 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cn2ccccc2n1 ZINC000788525860 1023905684 /nfs/dbraw/zinc/90/56/84/1023905684.db2.gz NPTFYDLDSARSLJ-MRXNPFEDSA-N 1 0 320.440 3.785 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4c(O)cccc43)ccc21 ZINC000788582296 1023908636 /nfs/dbraw/zinc/90/86/36/1023908636.db2.gz GBTYZTHUVQFOCU-LJQANCHMSA-N 1 0 322.452 3.942 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCNc2ccccn2)c(O)c1 ZINC000788587548 1023910088 /nfs/dbraw/zinc/91/00/88/1023910088.db2.gz JRJASXQXMRQCPH-INIZCTEOSA-N 1 0 313.445 3.947 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000788586527 1023910701 /nfs/dbraw/zinc/91/07/01/1023910701.db2.gz CUMMALKTJNSNNE-AWEZNQCLSA-N 1 0 314.385 3.811 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@]1(C)CCCO1 ZINC000788595052 1023911082 /nfs/dbraw/zinc/91/10/82/1023911082.db2.gz ZKPFTBZZSVJCPL-YLJYHZDGSA-N 1 0 316.489 3.970 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788646830 1023914250 /nfs/dbraw/zinc/91/42/50/1023914250.db2.gz DLDORNGFABJIKT-CYBMUJFWSA-N 1 0 300.358 3.768 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788629385 1023916895 /nfs/dbraw/zinc/91/68/95/1023916895.db2.gz UJLZOEDBRJAPAS-CQSZACIVSA-N 1 0 302.418 3.897 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c(O)c1 ZINC000788671692 1023922278 /nfs/dbraw/zinc/92/22/78/1023922278.db2.gz NGBOWPVDJVKFDQ-GVDBMIGSSA-N 1 0 305.462 3.991 20 10 DHCDRO CCc1cccc(Cl)c1C[NH2+]Cc1cc(OC)ccc1O ZINC000788962854 1023953859 /nfs/dbraw/zinc/95/38/59/1023953859.db2.gz KALDHTRPETZETK-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2csc(C)n2)cc1 ZINC000221815227 1023999522 /nfs/dbraw/zinc/99/95/22/1023999522.db2.gz VLEFEIFEVUFODH-UHFFFAOYSA-N 1 0 303.475 3.630 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000185482211 1024028703 /nfs/dbraw/zinc/02/87/03/1024028703.db2.gz LHRCXKNIBVIIBM-ZFWWWQNUSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc2ccccc2c1O ZINC000185513408 1024031910 /nfs/dbraw/zinc/03/19/10/1024031910.db2.gz XLMIRFSSAQPEFM-SJKOYZFVSA-N 1 0 313.422 3.991 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000707129732 1024054009 /nfs/dbraw/zinc/05/40/09/1024054009.db2.gz RIYPILTVMMDWQI-SMDDNHRTSA-N 1 0 310.235 3.919 20 10 DHCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000789386793 1024054617 /nfs/dbraw/zinc/05/46/17/1024054617.db2.gz HEWLHRXAFVFUCJ-MGPUTAFESA-N 1 0 312.457 3.699 20 10 DHCDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236785791 1024080783 /nfs/dbraw/zinc/08/07/83/1024080783.db2.gz SLMQSGVXMUWYPH-VQTJNVASSA-N 1 0 316.489 3.828 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1O ZINC000130125325 1024134426 /nfs/dbraw/zinc/13/44/26/1024134426.db2.gz WBJOQUYYNRHOOV-UHFFFAOYSA-N 1 0 319.351 3.844 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(OC(C)C)CC2)c1 ZINC000130171675 1024138381 /nfs/dbraw/zinc/13/83/81/1024138381.db2.gz IUBIFJUFXVONHQ-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO CC[N@H+](Cc1sc(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC000130204897 1024143662 /nfs/dbraw/zinc/14/36/62/1024143662.db2.gz YNLUDFRWTDIIPY-UHFFFAOYSA-N 1 0 303.475 3.848 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1O ZINC000789769253 1024161876 /nfs/dbraw/zinc/16/18/76/1024161876.db2.gz LUVFMVHQKLFPCO-QGZVFWFLSA-N 1 0 310.441 3.707 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000268797861 1024162527 /nfs/dbraw/zinc/16/25/27/1024162527.db2.gz JCCBYKINXMITCT-ZDUSSCGKSA-N 1 0 314.458 3.703 20 10 DHCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000789744512 1024163309 /nfs/dbraw/zinc/16/33/09/1024163309.db2.gz WHDAQLZWHJBYFK-UHFFFAOYSA-N 1 0 303.837 3.741 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268818101 1024168253 /nfs/dbraw/zinc/16/82/53/1024168253.db2.gz NDGJSVARGHVEKH-ZWKOTPCHSA-N 1 0 312.461 3.604 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1 ZINC000130472338 1024169391 /nfs/dbraw/zinc/16/93/91/1024169391.db2.gz AVYDFEYZKUSLDA-YJBOKZPZSA-N 1 0 316.445 3.728 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000876967729 1033195368 /nfs/dbraw/zinc/19/53/68/1033195368.db2.gz KECJFSUQGAIGKI-PXNSSMCTSA-N 1 0 311.425 3.958 20 10 DHCDRO COCCCCc1cccnc1NCc1cc(F)cc(F)c1O ZINC000883126171 1024251235 /nfs/dbraw/zinc/25/12/35/1024251235.db2.gz HXXVDBXOTMZUCD-UHFFFAOYSA-N 1 0 322.355 3.647 20 10 DHCDRO Cc1cc(NCc2cc(F)cc(F)c2O)ccc1C[NH+](C)C ZINC000883144841 1024256678 /nfs/dbraw/zinc/25/66/78/1024256678.db2.gz CGWPDZDJGHVXCC-UHFFFAOYSA-N 1 0 306.356 3.653 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(Cl)c3N)ccc21 ZINC000876986846 1033197691 /nfs/dbraw/zinc/19/76/91/1033197691.db2.gz LUALJXIZIBEHTQ-UHFFFAOYSA-N 1 0 315.848 3.594 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1 ZINC000876978638 1033197957 /nfs/dbraw/zinc/19/79/57/1033197957.db2.gz MQJPCJQGZWRIJD-RBUKOAKNSA-N 1 0 315.388 3.850 20 10 DHCDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CC[C@@H](C)C1 ZINC000790476861 1024307431 /nfs/dbraw/zinc/30/74/31/1024307431.db2.gz FDVWZHALFPJFEF-GDBMZVCRSA-N 1 0 314.429 3.577 20 10 DHCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000883269523 1024342526 /nfs/dbraw/zinc/34/25/26/1024342526.db2.gz MUQJIQJXXNHHNJ-BFYDXBDKSA-N 1 0 320.452 3.892 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000270134519 1024354459 /nfs/dbraw/zinc/35/44/59/1024354459.db2.gz PZKHRNQPLHYPKK-FPTDNZKUSA-N 1 0 317.454 3.597 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000790700087 1024357599 /nfs/dbraw/zinc/35/75/99/1024357599.db2.gz CDGCNGKFVDSYIW-DNVCBOLYSA-N 1 0 304.478 3.735 20 10 DHCDRO CCC[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1O ZINC000790906016 1024399082 /nfs/dbraw/zinc/39/90/82/1024399082.db2.gz SFZLYCYSFHBYLN-UHFFFAOYSA-N 1 0 321.424 3.990 20 10 DHCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000883354013 1024400334 /nfs/dbraw/zinc/40/03/34/1024400334.db2.gz IZVAOYFMTUZBMD-GCNHAWSASA-N 1 0 302.462 3.561 20 10 DHCDRO COC1(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCCC1 ZINC000790960939 1024407225 /nfs/dbraw/zinc/40/72/25/1024407225.db2.gz MUKXUTCFGIBAOE-UHFFFAOYSA-N 1 0 316.489 3.972 20 10 DHCDRO COCC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccco1 ZINC000790989213 1024412241 /nfs/dbraw/zinc/41/22/41/1024412241.db2.gz HPEZFOXBDZPPNV-LBPRGKRZSA-N 1 0 313.756 3.645 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2O ZINC000883381237 1024412802 /nfs/dbraw/zinc/41/28/02/1024412802.db2.gz JHYXXEFIORAZBB-SMDDNHRTSA-N 1 0 305.393 3.628 20 10 DHCDRO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000790989971 1024413301 /nfs/dbraw/zinc/41/33/01/1024413301.db2.gz GXFVEPWGWZQVCX-MRXNPFEDSA-N 1 0 320.440 3.789 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000790972044 1024419658 /nfs/dbraw/zinc/41/96/58/1024419658.db2.gz FCERATQPZHJNFP-KGLIPLIRSA-N 1 0 313.800 3.622 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccco2)C2CCCC2)c1O ZINC000132192276 1024459742 /nfs/dbraw/zinc/45/97/42/1024459742.db2.gz PIQNEISYCDHCLV-UHFFFAOYSA-N 1 0 301.386 3.939 20 10 DHCDRO COc1ccccc1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000132211927 1024464110 /nfs/dbraw/zinc/46/41/10/1024464110.db2.gz GSTYUHAHABGIIT-LBPRGKRZSA-N 1 0 308.472 3.985 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000271481316 1024518725 /nfs/dbraw/zinc/51/87/25/1024518725.db2.gz JAUUTPKRQYSBAD-AEFFLSMTSA-N 1 0 302.462 3.895 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545150 1024536633 /nfs/dbraw/zinc/53/66/33/1024536633.db2.gz ZBFKENDSPDFYGU-LIRRHRJNSA-N 1 0 316.420 3.666 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)c1c(F)cccc1F ZINC000877063201 1033221877 /nfs/dbraw/zinc/22/18/77/1033221877.db2.gz GFTDFHPKPHWIBH-QAPCUYQASA-N 1 0 321.367 3.581 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000193703210 1024606111 /nfs/dbraw/zinc/60/61/11/1024606111.db2.gz WCXGQJUVPIFEHJ-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)c(O)c1 ZINC000877066230 1033225037 /nfs/dbraw/zinc/22/50/37/1033225037.db2.gz HFEIGBYHLHPLQN-GOSISDBHSA-N 1 0 321.424 3.508 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1O ZINC000283478635 1024672418 /nfs/dbraw/zinc/67/24/18/1024672418.db2.gz WXUOIFIAMPCVJB-DYVFJYSZSA-N 1 0 318.848 3.999 20 10 DHCDRO CCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877085698 1033233569 /nfs/dbraw/zinc/23/35/69/1033233569.db2.gz QTKDXHCGPAVDMB-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1O ZINC001170417677 1024768445 /nfs/dbraw/zinc/76/84/45/1024768445.db2.gz MHYIZZSQZBGQFG-HIFRSBDPSA-N 1 0 313.397 3.793 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000897418773 1024790834 /nfs/dbraw/zinc/79/08/34/1024790834.db2.gz WFFZUEYEUJVKIT-CHWSQXEVSA-N 1 0 313.397 3.748 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc2c(c1)CCO2 ZINC000897419790 1024792613 /nfs/dbraw/zinc/79/26/13/1024792613.db2.gz SURVVNCQGSRGDO-LLVKDONJSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@@H]([NH2+]CCCN1CCc2ccccc21)c1cc(F)ccc1O ZINC000321330731 1024820163 /nfs/dbraw/zinc/82/01/63/1024820163.db2.gz CIWWPJSMDWTVIL-CQSZACIVSA-N 1 0 314.404 3.635 20 10 DHCDRO CCOCCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792922365 1024839251 /nfs/dbraw/zinc/83/92/51/1024839251.db2.gz XJERSIRIIHUKIP-UHFFFAOYSA-N 1 0 318.383 3.678 20 10 DHCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000792976792 1024849614 /nfs/dbraw/zinc/84/96/14/1024849614.db2.gz QQUSOUIMUOVTPZ-UYAOXDASSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000747100727 1024870041 /nfs/dbraw/zinc/87/00/41/1024870041.db2.gz PZRXJCYYXBKBOJ-MSOLQXFVSA-N 1 0 324.468 3.805 20 10 DHCDRO Oc1cccc(Cl)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000747100725 1024870923 /nfs/dbraw/zinc/87/09/23/1024870923.db2.gz PQGDKXDIJIZIAP-UHFFFAOYSA-N 1 0 322.880 3.932 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000877118470 1033244095 /nfs/dbraw/zinc/24/40/95/1033244095.db2.gz CAPAZGWVEOWFDF-UHFFFAOYSA-N 1 0 319.445 3.691 20 10 DHCDRO CCOC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793154246 1024915857 /nfs/dbraw/zinc/91/58/57/1024915857.db2.gz VXTNTASRRQYAID-UHFFFAOYSA-N 1 0 318.383 3.676 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793231289 1024943322 /nfs/dbraw/zinc/94/33/22/1024943322.db2.gz MBJZJWZEFUKNNL-CMPLNLGQSA-N 1 0 303.324 3.564 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000825935180 1033249150 /nfs/dbraw/zinc/24/91/50/1033249150.db2.gz OKRSLUPNGTWTES-VIFPVBQESA-N 1 0 311.303 3.669 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc3cc(F)ccc3o2)c(O)c1 ZINC000793388057 1025027647 /nfs/dbraw/zinc/02/76/47/1025027647.db2.gz KBBUEKAPCVIQGP-UHFFFAOYSA-N 1 0 301.317 3.576 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000229562325 1025062865 /nfs/dbraw/zinc/06/28/65/1025062865.db2.gz VLEYADJVQGIIPI-PWSUYJOCSA-N 1 0 316.264 3.701 20 10 DHCDRO CC[C@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1ccccc1O ZINC000229552927 1025062929 /nfs/dbraw/zinc/06/29/29/1025062929.db2.gz XRKGUIROXWHFJD-HNNXBMFYSA-N 1 0 322.449 3.690 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)C(C)(C)c2ccccc2)cc1OC ZINC000793609581 1025128837 /nfs/dbraw/zinc/12/88/37/1025128837.db2.gz PIOFXLVRHIKJLF-UHFFFAOYSA-N 1 0 315.413 3.777 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793619035 1025132942 /nfs/dbraw/zinc/13/29/42/1025132942.db2.gz BLKLFHRJVSXMCH-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000793620967 1025135419 /nfs/dbraw/zinc/13/54/19/1025135419.db2.gz VCLVGASLQXPZGB-UHFFFAOYSA-N 1 0 316.489 3.925 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000124046296 1025319977 /nfs/dbraw/zinc/31/99/77/1025319977.db2.gz OBCVFZSXBFMXJY-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001168242223 1025374730 /nfs/dbraw/zinc/37/47/30/1025374730.db2.gz BWPXKPYFXTTXFS-IBGZPJMESA-N 1 0 319.404 3.811 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000124389095 1025423486 /nfs/dbraw/zinc/42/34/86/1025423486.db2.gz XLVOTRNBTPBICI-KRWDZBQOSA-N 1 0 320.392 3.594 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877349114 1033287270 /nfs/dbraw/zinc/28/72/70/1033287270.db2.gz ZNKBWYSMILSGEE-INIZCTEOSA-N 1 0 316.489 3.516 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000886627157 1025747878 /nfs/dbraw/zinc/74/78/78/1025747878.db2.gz UZEFABHMCVRJCV-DNVCBOLYSA-N 1 0 309.457 3.664 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132716 1025778201 /nfs/dbraw/zinc/77/82/01/1025778201.db2.gz YYYXNOGWZJCEAN-BBRMVZONSA-N 1 0 310.869 3.818 20 10 DHCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOC2(CCC2)C1 ZINC000886777016 1025897072 /nfs/dbraw/zinc/89/70/72/1025897072.db2.gz VXYVXQGKHLPAJI-QAPCUYQASA-N 1 0 301.430 3.709 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000729682260 1025928516 /nfs/dbraw/zinc/92/85/16/1025928516.db2.gz YXMOPGBKIAZARY-GOSISDBHSA-N 1 0 315.505 3.639 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000089552760 1026055027 /nfs/dbraw/zinc/05/50/27/1026055027.db2.gz ULJOTFIXZHFAFQ-IRXDYDNUSA-N 1 0 310.441 3.935 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245541280 1026062043 /nfs/dbraw/zinc/06/20/43/1026062043.db2.gz NXKCXBGIRSSWCL-BFUOFWGJSA-N 1 0 313.397 3.602 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c(O)c1 ZINC000289827466 1026189646 /nfs/dbraw/zinc/18/96/46/1026189646.db2.gz PFCDDFNKUOYFLU-CVAIRZPRSA-N 1 0 311.425 3.517 20 10 DHCDRO CN(C)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000808425439 1026274309 /nfs/dbraw/zinc/27/43/09/1026274309.db2.gz FKSWBUQQSFRTBR-MRXNPFEDSA-N 1 0 322.811 3.577 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000290010023 1026281580 /nfs/dbraw/zinc/28/15/80/1026281580.db2.gz DPLQRGOGJVHRCB-MGPLVRAMSA-N 1 0 319.788 3.666 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCSC2)cc1F ZINC000808429449 1026301770 /nfs/dbraw/zinc/30/17/70/1026301770.db2.gz CKLSZUVCQIXNRB-OAHLLOKOSA-N 1 0 310.482 3.905 20 10 DHCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000237077111 1026308302 /nfs/dbraw/zinc/30/83/02/1026308302.db2.gz APHZHDVSSGWJDP-WMZOPIPTSA-N 1 0 302.462 3.582 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000894204003 1026347598 /nfs/dbraw/zinc/34/75/98/1026347598.db2.gz GYSJVGBXCFSJSY-MRXNPFEDSA-N 1 0 301.361 3.625 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(CO)c2)c1O ZINC000808691943 1026349225 /nfs/dbraw/zinc/34/92/25/1026349225.db2.gz LCMZUKKINHJJBV-GFCCVEGCSA-N 1 0 305.805 3.697 20 10 DHCDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808674121 1026352765 /nfs/dbraw/zinc/35/27/65/1026352765.db2.gz NUDNHDQQZODMBW-LLVKDONJSA-N 1 0 321.852 3.598 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000808672833 1026354102 /nfs/dbraw/zinc/35/41/02/1026354102.db2.gz SDHDRLGEYFQMLZ-SWLSCSKDSA-N 1 0 322.836 3.901 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000808707240 1026357524 /nfs/dbraw/zinc/35/75/24/1026357524.db2.gz IVGJPWGCBFQPED-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CCCCC2)c1O ZINC000808705928 1026358695 /nfs/dbraw/zinc/35/86/95/1026358695.db2.gz BEBVZLYMLCHWOW-ZDUSSCGKSA-N 1 0 311.853 3.947 20 10 DHCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)c1ccccc1 ZINC000808719405 1026365821 /nfs/dbraw/zinc/36/58/21/1026365821.db2.gz FIROLZHLGPIFDD-JFVXACQESA-N 1 0 315.388 3.791 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000808699151 1026374834 /nfs/dbraw/zinc/37/48/34/1026374834.db2.gz UKSKLSBREDLSTA-FZMZJTMJSA-N 1 0 309.793 3.640 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1O ZINC000808701423 1026375625 /nfs/dbraw/zinc/37/56/25/1026375625.db2.gz XIZNARYKZUTDOS-UKRRQHHQSA-N 1 0 319.832 3.781 20 10 DHCDRO Clc1ccnc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899388 1026465992 /nfs/dbraw/zinc/46/59/92/1026465992.db2.gz FCMLZZAKPMLDPT-INIZCTEOSA-N 1 0 314.816 3.837 20 10 DHCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000280001808 1026573294 /nfs/dbraw/zinc/57/32/94/1026573294.db2.gz GAPSGQDNBULCCL-IBGZPJMESA-N 1 0 324.472 3.578 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000280066235 1026581122 /nfs/dbraw/zinc/58/11/22/1026581122.db2.gz LTLULFYMBUDHSD-UWVGGRQHSA-N 1 0 316.264 3.558 20 10 DHCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000809643764 1026582579 /nfs/dbraw/zinc/58/25/79/1026582579.db2.gz UASSROBUXHEEPB-KRWDZBQOSA-N 1 0 319.832 3.819 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280089896 1026586955 /nfs/dbraw/zinc/58/69/55/1026586955.db2.gz MHRIICNWWDHAIA-WMZOPIPTSA-N 1 0 303.377 3.614 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(C)c3ncccc3c2)c1O ZINC000809740038 1026611469 /nfs/dbraw/zinc/61/14/69/1026611469.db2.gz KGXBLSSHUHKUMF-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000280210519 1026612076 /nfs/dbraw/zinc/61/20/76/1026612076.db2.gz UDOAUZBAFUKRQE-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758177 1026618594 /nfs/dbraw/zinc/61/85/94/1026618594.db2.gz FQUFZDJKFJHNDP-UONOGXRCSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(C)cc1O ZINC000280272616 1026623986 /nfs/dbraw/zinc/62/39/86/1026623986.db2.gz YAMXTIQYGNITLI-YPMHNXCESA-N 1 0 305.340 3.709 20 10 DHCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809790359 1026627632 /nfs/dbraw/zinc/62/76/32/1026627632.db2.gz HMFUXXYWYZFNPW-FQEVSTJZSA-N 1 0 316.489 3.661 20 10 DHCDRO FC(F)(F)c1cscc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000810141518 1026688793 /nfs/dbraw/zinc/68/87/93/1026688793.db2.gz ZYNRSRGSOGCLCU-UHFFFAOYSA-N 1 0 313.344 3.992 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)OCCc2sccc21 ZINC000810170182 1026693867 /nfs/dbraw/zinc/69/38/67/1026693867.db2.gz GNLKFVPRLXUVOF-INIZCTEOSA-N 1 0 323.845 3.685 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1O ZINC000894242749 1026695268 /nfs/dbraw/zinc/69/52/68/1026695268.db2.gz VOOYKOZMYKMMJN-UHFFFAOYSA-N 1 0 301.361 3.627 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227790 1026713904 /nfs/dbraw/zinc/71/39/04/1026713904.db2.gz JMZQYWVRYJZMMZ-OCCSQVGLSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238334 1026725642 /nfs/dbraw/zinc/72/56/42/1026725642.db2.gz JFKDNFDLQIFYNP-QKCSRTOESA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810238765 1026725951 /nfs/dbraw/zinc/72/59/51/1026725951.db2.gz MSCOHUPWMKBBFJ-FPMFFAJLSA-N 1 0 317.351 3.611 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810257017 1026730635 /nfs/dbraw/zinc/73/06/35/1026730635.db2.gz LAYAMDUJPKWYGI-NRUUGDAUSA-N 1 0 305.340 3.875 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C4CC4)C3)cc2)CC1 ZINC000828563489 1026963244 /nfs/dbraw/zinc/96/32/44/1026963244.db2.gz DURCEOCUFZBPPS-GOSISDBHSA-N 1 0 314.473 3.534 20 10 DHCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000811517827 1027020151 /nfs/dbraw/zinc/02/01/51/1027020151.db2.gz BBLGPOFXXJNUQK-IBGZPJMESA-N 1 0 316.489 3.564 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000894261899 1027026928 /nfs/dbraw/zinc/02/69/28/1027026928.db2.gz WGUQPWVAZSVLEB-KBXCAEBGSA-N 1 0 321.461 3.640 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1[C@@H]1CCCO1 ZINC000811510691 1027027814 /nfs/dbraw/zinc/02/78/14/1027027814.db2.gz MZJJXZZXTYKHIM-OALUTQOASA-N 1 0 311.425 3.935 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@@H]1[C@H]1CCCO1 ZINC000811777977 1027081999 /nfs/dbraw/zinc/08/19/99/1027081999.db2.gz WHHGIZISJKUMSN-RTBURBONSA-N 1 0 315.457 3.660 20 10 DHCDRO CCCN(Cc1cc(F)ccc1OC)c1ccc(C[NH3+])cc1 ZINC000812758424 1027399207 /nfs/dbraw/zinc/39/92/07/1027399207.db2.gz AJRAOPRFJIFYEE-UHFFFAOYSA-N 1 0 302.393 3.710 20 10 DHCDRO CC[C@H]([NH2+]CCCc1ncccc1C)c1ccc(F)cc1[O-] ZINC000296444598 1027637984 /nfs/dbraw/zinc/63/79/84/1027637984.db2.gz MMUJEYKOZMXBBM-INIZCTEOSA-N 1 0 302.393 3.908 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000296554880 1027666653 /nfs/dbraw/zinc/66/66/53/1027666653.db2.gz UTSZAKDTKZIYCJ-UHFFFAOYSA-N 1 0 316.470 3.653 20 10 DHCDRO CC[C@@H]([NH2+]CCc1scnc1C)c1ccc(N(C)C)cc1 ZINC000296655951 1027698368 /nfs/dbraw/zinc/69/83/68/1027698368.db2.gz ZIAHOKBGBARWJV-MRXNPFEDSA-N 1 0 303.475 3.801 20 10 DHCDRO C[N@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1O ZINC000778996464 1027736762 /nfs/dbraw/zinc/73/67/62/1027736762.db2.gz PZAUWHONCFJFIU-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000778998731 1027741458 /nfs/dbraw/zinc/74/14/58/1027741458.db2.gz UQXHDWLWYNLNET-UHFFFAOYSA-N 1 0 315.388 3.822 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C[NH+](C)C ZINC000813877044 1027748548 /nfs/dbraw/zinc/74/85/48/1027748548.db2.gz JADIMFPOHLEYCW-ZJUUUORDSA-N 1 0 305.249 3.547 20 10 DHCDRO CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000813886390 1027753670 /nfs/dbraw/zinc/75/36/70/1027753670.db2.gz AZHRSHAKRFLHDQ-SKDRFNHKSA-N 1 0 304.365 3.728 20 10 DHCDRO COc1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000779012101 1027789396 /nfs/dbraw/zinc/78/93/96/1027789396.db2.gz AWIRPZDBCKLYLM-UHFFFAOYSA-N 1 0 315.388 3.920 20 10 DHCDRO CCc1nc([C@@H]2CCC[N@@H+]([C@H](CC)c3ccccc3O)C2)no1 ZINC000364624509 1027861636 /nfs/dbraw/zinc/86/16/36/1027861636.db2.gz SYFKONWGEGQECP-UKRRQHHQSA-N 1 0 315.417 3.668 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cn1 ZINC000778214913 1027890807 /nfs/dbraw/zinc/89/08/07/1027890807.db2.gz YNHWQGNPYHWNMP-UHFFFAOYSA-N 1 0 303.837 3.823 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527771793 1027891571 /nfs/dbraw/zinc/89/15/71/1027891571.db2.gz JTYKOBSEPLMMSW-IBGZPJMESA-N 1 0 312.413 3.817 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000778215661 1027902620 /nfs/dbraw/zinc/90/26/20/1027902620.db2.gz CBCZQUZKAKAEHZ-AZUAARDMSA-N 1 0 318.505 3.954 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(Cl)cn2)C2CC2)cc1 ZINC000778216649 1027904019 /nfs/dbraw/zinc/90/40/19/1027904019.db2.gz SOLZRMLYMCGWQW-UHFFFAOYSA-N 1 0 315.848 3.966 20 10 DHCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)OC)c1 ZINC000527924847 1027953434 /nfs/dbraw/zinc/95/34/34/1027953434.db2.gz ICZGROMNSGZSPP-SGTLLEGYSA-N 1 0 319.376 3.578 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(F)ccc1O ZINC000527954157 1027985637 /nfs/dbraw/zinc/98/56/37/1027985637.db2.gz YTXMMVUKYLYADC-BBRMVZONSA-N 1 0 306.425 3.589 20 10 DHCDRO COCCC1CC[NH+]([C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000527933808 1027993690 /nfs/dbraw/zinc/99/36/90/1027993690.db2.gz IGNJQVSQWYVTDS-SWLSCSKDSA-N 1 0 307.409 3.828 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934559762 1028038713 /nfs/dbraw/zinc/03/87/13/1028038713.db2.gz SQSTXBWFNQWFPE-HNNXBMFYSA-N 1 0 312.461 3.600 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934559763 1028040286 /nfs/dbraw/zinc/04/02/86/1028040286.db2.gz SQSTXBWFNQWFPE-OAHLLOKOSA-N 1 0 312.461 3.600 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CC=CC[C@H]3C)cc2)CC1 ZINC000934620208 1028052687 /nfs/dbraw/zinc/05/26/87/1028052687.db2.gz QMDQHKCOQOLPND-OXQOHEQNSA-N 1 0 314.473 3.746 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366544073 1028097698 /nfs/dbraw/zinc/09/76/98/1028097698.db2.gz KNYCBRCAZHLMCY-ACJLOTCBSA-N 1 0 312.413 3.940 20 10 DHCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000779063201 1028127442 /nfs/dbraw/zinc/12/74/42/1028127442.db2.gz BXPGVGYTCALUDW-ZYSHUDEJSA-N 1 0 316.489 3.877 20 10 DHCDRO Brc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000048818348 1028258971 /nfs/dbraw/zinc/25/89/71/1028258971.db2.gz RAROPCCADIXRTP-UHFFFAOYSA-N 1 0 318.214 3.674 20 10 DHCDRO COc1cc(C[NH+]2CCC(OCCC(C)C)CC2)c(O)cc1C ZINC000159868637 1028281492 /nfs/dbraw/zinc/28/14/92/1028281492.db2.gz VGEDMTYESNYDNI-UHFFFAOYSA-N 1 0 321.461 3.736 20 10 DHCDRO Cc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1N(C)C ZINC000815058744 1028344720 /nfs/dbraw/zinc/34/47/20/1028344720.db2.gz RQVURKJHAHKGPN-UHFFFAOYSA-N 1 0 303.837 3.741 20 10 DHCDRO Cc1cc(C[NH2+]C2(c3ccccc3)CCOCC2)ccc1N(C)C ZINC000815069799 1028349967 /nfs/dbraw/zinc/34/99/67/1028349967.db2.gz GRSLKMVCARRTMI-UHFFFAOYSA-N 1 0 324.468 3.857 20 10 DHCDRO Cc1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)ccc1N(C)C ZINC000815083147 1028355089 /nfs/dbraw/zinc/35/50/89/1028355089.db2.gz JOGSUTRWEAFCAA-PZJWPPBQSA-N 1 0 324.468 3.928 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000815120410 1028366516 /nfs/dbraw/zinc/36/65/16/1028366516.db2.gz RYGVEXZRRUJYFE-QGZVFWFLSA-N 1 0 304.478 3.841 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(O)c1Cl ZINC000815124665 1028369073 /nfs/dbraw/zinc/36/90/73/1028369073.db2.gz GYYYLBYWKCGWNA-UHFFFAOYSA-N 1 0 304.821 3.710 20 10 DHCDRO CC(C)(C)C1CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000815147805 1028403064 /nfs/dbraw/zinc/40/30/64/1028403064.db2.gz WOFCLFKKZZWQJD-UHFFFAOYSA-N 1 0 320.452 3.577 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000368795108 1028408469 /nfs/dbraw/zinc/40/84/69/1028408469.db2.gz DZCLNDOPFZVMGE-GDBMZVCRSA-N 1 0 312.413 3.648 20 10 DHCDRO CC[C@H](Nc1c[nH+]ccc1-n1cc(C)cn1)c1ccccc1O ZINC000369017920 1028436287 /nfs/dbraw/zinc/43/62/87/1028436287.db2.gz JOQWQNOTAJZZFA-HNNXBMFYSA-N 1 0 308.385 3.845 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000779152453 1028441582 /nfs/dbraw/zinc/44/15/82/1028441582.db2.gz ABZDNLCYVKGDBU-IEBWSBKVSA-N 1 0 304.478 3.516 20 10 DHCDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000188060375 1028493834 /nfs/dbraw/zinc/49/38/34/1028493834.db2.gz AQJCFGZVTLNLTD-KRWDZBQOSA-N 1 0 316.489 3.880 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c(O)c1 ZINC000815569054 1028546171 /nfs/dbraw/zinc/54/61/71/1028546171.db2.gz FFHMTZKLTCJKFY-MRXNPFEDSA-N 1 0 310.441 3.675 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ccon1 ZINC000815585186 1028556700 /nfs/dbraw/zinc/55/67/00/1028556700.db2.gz ALFBGROFMKCHDO-SFHVURJKSA-N 1 0 308.381 3.844 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1cc(Cl)ccc1O ZINC000815629724 1028579902 /nfs/dbraw/zinc/57/99/02/1028579902.db2.gz KZFVKAPZAZGPGZ-AWEZNQCLSA-N 1 0 306.793 3.690 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cc[nH]c(=O)c1 ZINC000815643162 1028588625 /nfs/dbraw/zinc/58/86/25/1028588625.db2.gz VONGIPHOIDKXFS-GBIKHYSHSA-N 1 0 302.349 3.531 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1O ZINC000779191306 1028668041 /nfs/dbraw/zinc/66/80/41/1028668041.db2.gz OWYLKAWJRRQPBT-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371410877 1028706556 /nfs/dbraw/zinc/70/65/56/1028706556.db2.gz IAMFXYCKSCJMHR-MRXNPFEDSA-N 1 0 319.408 3.715 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000371464094 1028717153 /nfs/dbraw/zinc/71/71/53/1028717153.db2.gz ONXFJAJXBJBIJN-INIZCTEOSA-N 1 0 307.397 3.579 20 10 DHCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816493291 1028897058 /nfs/dbraw/zinc/89/70/58/1028897058.db2.gz VZJQSMJRRXUXCB-INIZCTEOSA-N 1 0 321.420 3.928 20 10 DHCDRO Oc1c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503545 1028909346 /nfs/dbraw/zinc/90/93/46/1028909346.db2.gz CAHFEZUCNZWDSR-SFHVURJKSA-N 1 0 310.441 3.606 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514828 1028920874 /nfs/dbraw/zinc/92/08/74/1028920874.db2.gz IJZLKFDDTHMUED-HXUWFJFHSA-N 1 0 311.425 3.938 20 10 DHCDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530050 1028922542 /nfs/dbraw/zinc/92/25/42/1028922542.db2.gz RFGRXCMMWSNBEC-LBPRGKRZSA-N 1 0 314.832 3.539 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC[C@@H](C)C1 ZINC000816535612 1028923684 /nfs/dbraw/zinc/92/36/84/1028923684.db2.gz UMSGAQAFWZUJAA-HZPDHXFCSA-N 1 0 312.457 3.755 20 10 DHCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816539104 1028926720 /nfs/dbraw/zinc/92/67/20/1028926720.db2.gz ROIMBKOSJHLKKO-AWEZNQCLSA-N 1 0 307.393 3.889 20 10 DHCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816539105 1028927370 /nfs/dbraw/zinc/92/73/70/1028927370.db2.gz ROIMBKOSJHLKKO-CQSZACIVSA-N 1 0 307.393 3.889 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc2ccccc21 ZINC000816592920 1028937301 /nfs/dbraw/zinc/93/73/01/1028937301.db2.gz YKHDMLOHFKYHAS-SFHVURJKSA-N 1 0 310.441 3.652 20 10 DHCDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816592669 1028937893 /nfs/dbraw/zinc/93/78/93/1028937893.db2.gz QOBKEUAFULREPP-SFHVURJKSA-N 1 0 319.404 3.898 20 10 DHCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816588005 1028939110 /nfs/dbraw/zinc/93/91/10/1028939110.db2.gz CUSUYIHVENKDIH-LJQANCHMSA-N 1 0 321.420 3.547 20 10 DHCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCSc1nccs1 ZINC000816553065 1028941391 /nfs/dbraw/zinc/94/13/91/1028941391.db2.gz HSEIRBPJGHBWCS-GFCCVEGCSA-N 1 0 308.472 3.552 20 10 DHCDRO OCC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816552720 1028943106 /nfs/dbraw/zinc/94/31/06/1028943106.db2.gz UMGFJTAOIAUCKW-GOSISDBHSA-N 1 0 321.420 3.801 20 10 DHCDRO Cn1nc(C[NH2+]Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000816569477 1028947201 /nfs/dbraw/zinc/94/72/01/1028947201.db2.gz NASSLTDNBGCOQN-UHFFFAOYSA-N 1 0 317.392 3.722 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566153 1028949372 /nfs/dbraw/zinc/94/93/72/1028949372.db2.gz MLGDJQMMGQRORZ-AWEZNQCLSA-N 1 0 307.340 3.749 20 10 DHCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2O)n1 ZINC000816609858 1028960898 /nfs/dbraw/zinc/96/08/98/1028960898.db2.gz OXYHVVSMLDOAJG-INIZCTEOSA-N 1 0 309.369 3.574 20 10 DHCDRO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816609163 1028961211 /nfs/dbraw/zinc/96/12/11/1028961211.db2.gz UDFXGKRFEGZPIW-UHFFFAOYSA-N 1 0 321.376 3.646 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)c1 ZINC000816621852 1028968425 /nfs/dbraw/zinc/96/84/25/1028968425.db2.gz QPDDUPBKSFAOCV-GOSISDBHSA-N 1 0 312.413 3.769 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)Cc1ccccc1O ZINC000373594313 1029090854 /nfs/dbraw/zinc/09/08/54/1029090854.db2.gz NVDCJZGERKRUIF-CQSZACIVSA-N 1 0 302.443 3.709 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000779344867 1029170097 /nfs/dbraw/zinc/17/00/97/1029170097.db2.gz YNXVRUSIVAZOPP-GOSISDBHSA-N 1 0 301.409 3.774 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1Cl ZINC000817573619 1029201052 /nfs/dbraw/zinc/20/10/52/1029201052.db2.gz GHOXHBHQPIYRSC-NSHDSACASA-N 1 0 307.800 3.791 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc(C)n1 ZINC000817588409 1029218949 /nfs/dbraw/zinc/21/89/49/1029218949.db2.gz FEDNSTRIIHOWEW-ZUZCIYMTSA-N 1 0 300.377 3.881 20 10 DHCDRO CN(Cc1ccccc1O)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000374286346 1029273788 /nfs/dbraw/zinc/27/37/88/1029273788.db2.gz XPEKNXBRLYQVOS-SFHVURJKSA-N 1 0 323.371 3.543 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000817938630 1029282247 /nfs/dbraw/zinc/28/22/47/1029282247.db2.gz OPXQOPVOYHPBRW-VFNWGFHPSA-N 1 0 323.484 3.592 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000817938116 1029285004 /nfs/dbraw/zinc/28/50/04/1029285004.db2.gz DUQYPXKLKKDKBE-ACJLOTCBSA-N 1 0 317.502 3.782 20 10 DHCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000817942213 1029287253 /nfs/dbraw/zinc/28/72/53/1029287253.db2.gz NAJVSPOSGLGFAI-LEWJYISDSA-N 1 0 323.484 3.883 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000817947089 1029290606 /nfs/dbraw/zinc/29/06/06/1029290606.db2.gz JPWUPSDCCSTNFF-OUAUKWLOSA-N 1 0 317.260 3.738 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000817955659 1029294272 /nfs/dbraw/zinc/29/42/72/1029294272.db2.gz DSQNKHCLQLZMQT-KRWDZBQOSA-N 1 0 316.832 3.968 20 10 DHCDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817953972 1029295690 /nfs/dbraw/zinc/29/56/90/1029295690.db2.gz TZFGYRIBVDPCCI-SNVBAGLBSA-N 1 0 305.249 3.738 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954865 1029295754 /nfs/dbraw/zinc/29/57/54/1029295754.db2.gz LKMUIEMOEKLOKP-GXFFZTMASA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)cc1 ZINC000817956331 1029297227 /nfs/dbraw/zinc/29/72/27/1029297227.db2.gz WPHDSCATZNFMIH-LBPRGKRZSA-N 1 0 319.246 3.925 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C12CCCCC2 ZINC000817958706 1029298255 /nfs/dbraw/zinc/29/82/55/1029298255.db2.gz XNSKQRAKUWUGNE-QZTJIDSGSA-N 1 0 302.462 3.529 20 10 DHCDRO Cc1cc2c(cc1C)[C@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817956337 1029298572 /nfs/dbraw/zinc/29/85/72/1029298572.db2.gz WPOATODPOMBXHX-LJQANCHMSA-N 1 0 310.441 3.932 20 10 DHCDRO CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817960485 1029300608 /nfs/dbraw/zinc/30/06/08/1029300608.db2.gz ZQMUFGBUBNACAH-SJLPKXTDSA-N 1 0 303.494 3.701 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968806 1029308119 /nfs/dbraw/zinc/30/81/19/1029308119.db2.gz MUCCEBOYIHWDOQ-ZWNOBZJWSA-N 1 0 317.260 3.882 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1C ZINC000817975231 1029314192 /nfs/dbraw/zinc/31/41/92/1029314192.db2.gz RPTQSYFURASTOA-KXBFYZLASA-N 1 0 310.441 3.547 20 10 DHCDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979981 1029318139 /nfs/dbraw/zinc/31/81/39/1029318139.db2.gz GUCDINSWCIWWMB-WDEREUQCSA-N 1 0 317.260 3.882 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984374 1029320885 /nfs/dbraw/zinc/32/08/85/1029320885.db2.gz RKAVFDSGEQMVLF-ZWNOBZJWSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H](C)C3)C2)cc1 ZINC000818220869 1029355187 /nfs/dbraw/zinc/35/51/87/1029355187.db2.gz NNJQQQFCCKUXGO-BBWFWOEESA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000818220872 1029357533 /nfs/dbraw/zinc/35/75/33/1029357533.db2.gz NNJQQQFCCKUXGO-ZACQAIPSSA-N 1 0 302.462 3.690 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)CCC2 ZINC000191298677 1029361610 /nfs/dbraw/zinc/36/16/10/1029361610.db2.gz RWPMKRYUBRGCOQ-UHFFFAOYSA-N 1 0 308.425 3.656 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C(C)C)C2)cc1 ZINC000818342292 1029373633 /nfs/dbraw/zinc/37/36/33/1029373633.db2.gz ONUNDNDMCLOUNE-ATZDWAIDSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccs3)C2)cc1 ZINC000818344042 1029375402 /nfs/dbraw/zinc/37/54/02/1029375402.db2.gz IAQYTZQGJKHZNX-HUUCEWRRSA-N 1 0 316.470 3.934 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000818342176 1029375540 /nfs/dbraw/zinc/37/55/40/1029375540.db2.gz MWBQBYOLMLPAKV-QFBILLFUSA-N 1 0 314.473 3.834 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC(C)(C)C3)C2)cc1 ZINC000818343230 1029375719 /nfs/dbraw/zinc/37/57/19/1029375719.db2.gz ZXNULKXLNFKRST-HOTGVXAUSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C)o3)C2)cc1 ZINC000818344137 1029375909 /nfs/dbraw/zinc/37/59/09/1029375909.db2.gz JPNDDOHBCFHSOX-HZPDHXFCSA-N 1 0 314.429 3.774 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3CCCC3)C2)cc1 ZINC000818343710 1029376376 /nfs/dbraw/zinc/37/63/76/1029376376.db2.gz DPQOYIRJAFMVGV-HOTGVXAUSA-N 1 0 302.462 3.690 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000818361295 1029385791 /nfs/dbraw/zinc/38/57/91/1029385791.db2.gz WFRPVBODVBEBIW-KQXIARHKSA-N 1 0 310.235 3.912 20 10 DHCDRO CC1(C(=O)Nc2ccc(N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000818556507 1029412537 /nfs/dbraw/zinc/41/25/37/1029412537.db2.gz XOKLLUIQZPQXSV-UHFFFAOYSA-N 1 0 323.440 3.510 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC(F)(F)C1 ZINC000529567991 1029427664 /nfs/dbraw/zinc/42/76/64/1029427664.db2.gz YUYRDTHLRSFNHT-QMMMGPOBSA-N 1 0 320.177 3.678 20 10 DHCDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063979 1029475511 /nfs/dbraw/zinc/47/55/11/1029475511.db2.gz RCYWKCRGXAGCEB-OAHLLOKOSA-N 1 0 322.499 3.565 20 10 DHCDRO COc1cccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1O ZINC000865698046 1029978946 /nfs/dbraw/zinc/97/89/46/1029978946.db2.gz IYFXSOKIMMCENB-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761452 1030012542 /nfs/dbraw/zinc/01/25/42/1030012542.db2.gz NNNOMOHLXKKIBS-QUCCMNQESA-N 1 0 314.473 3.582 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC=C(C)CC3)C2)cc1 ZINC000822494184 1030028168 /nfs/dbraw/zinc/02/81/68/1030028168.db2.gz IQRXFZDHPVGWQM-DLBZAZTESA-N 1 0 300.446 3.610 20 10 DHCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000822455160 1030030248 /nfs/dbraw/zinc/03/02/48/1030030248.db2.gz ALCUPKGASAJHGM-QZTJIDSGSA-N 1 0 304.503 3.907 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000865821489 1030039584 /nfs/dbraw/zinc/03/95/84/1030039584.db2.gz XTINNUJLTITEJS-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO CCCOc1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(O)c1 ZINC000290450248 1030055181 /nfs/dbraw/zinc/05/51/81/1030055181.db2.gz MHXVSYOWSRPPGK-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866227632 1030167882 /nfs/dbraw/zinc/16/78/82/1030167882.db2.gz AVEKNEIPSSGXFX-QGZVFWFLSA-N 1 0 309.457 3.793 20 10 DHCDRO c1csc(SCCC[NH2+][C@H]2CCCc3ncccc32)n1 ZINC000866270184 1030193503 /nfs/dbraw/zinc/19/35/03/1030193503.db2.gz SYSNMJFJEZYLCA-AWEZNQCLSA-N 1 0 305.472 3.688 20 10 DHCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000290842995 1030219479 /nfs/dbraw/zinc/21/94/79/1030219479.db2.gz IMJKLPAZKPGYTD-FQEVSTJZSA-N 1 0 324.472 3.629 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925082761 1030265194 /nfs/dbraw/zinc/26/51/94/1030265194.db2.gz YJUAQXRBSVJWHM-ZDUSSCGKSA-N 1 0 302.393 3.757 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000866405134 1030284013 /nfs/dbraw/zinc/28/40/13/1030284013.db2.gz ZXMKSIFNKLWKRO-ONUMYQOESA-N 1 0 319.351 3.851 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866409553 1030285648 /nfs/dbraw/zinc/28/56/48/1030285648.db2.gz NHXSTRPTXJXZQA-MEDUHNTESA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(C)cc1O ZINC000866426188 1030293095 /nfs/dbraw/zinc/29/30/95/1030293095.db2.gz UVHKBXQCAWTADB-GOEBONIOSA-N 1 0 307.434 3.531 20 10 DHCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823459025 1030294097 /nfs/dbraw/zinc/29/40/97/1030294097.db2.gz MSVWCRFFHLUFHT-HNNXBMFYSA-N 1 0 318.486 3.587 20 10 DHCDRO C[C@H]([NH2+]Cc1ccnc(F)c1)c1cc2c(cc1O)CCCC2 ZINC000866472931 1030309299 /nfs/dbraw/zinc/30/92/99/1030309299.db2.gz HBIBGZAOJCFWSZ-LBPRGKRZSA-N 1 0 300.377 3.656 20 10 DHCDRO COC(C)(C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866505350 1030330094 /nfs/dbraw/zinc/33/00/94/1030330094.db2.gz XVPLBIUHJCYQCW-SNVBAGLBSA-N 1 0 316.239 3.620 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000866484996 1030322992 /nfs/dbraw/zinc/32/29/92/1030322992.db2.gz BZEJPLNCNGFHRQ-VXGBXAGGSA-N 1 0 312.369 3.959 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1C ZINC000866529862 1030349655 /nfs/dbraw/zinc/34/96/55/1030349655.db2.gz SXRUYYBIIWRENH-HZPDHXFCSA-N 1 0 303.446 3.866 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c(O)c1 ZINC000866531968 1030351522 /nfs/dbraw/zinc/35/15/22/1030351522.db2.gz SYWGYNDAYWWBMY-JKSUJKDBSA-N 1 0 303.446 3.866 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(C)cc1O ZINC000866531740 1030352445 /nfs/dbraw/zinc/35/24/45/1030352445.db2.gz SPIFJNOMQSTVSG-WBVHZDCISA-N 1 0 303.446 3.948 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2O ZINC000866538260 1030356618 /nfs/dbraw/zinc/35/66/18/1030356618.db2.gz PWENHZQQIHSLQB-ATVPRXPUSA-N 1 0 319.420 3.732 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC000866568771 1030382986 /nfs/dbraw/zinc/38/29/86/1030382986.db2.gz CMPBNPNKNPDJAG-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1O ZINC000866572315 1030384723 /nfs/dbraw/zinc/38/47/23/1030384723.db2.gz AAFXMNPWBIZZGW-KRWDZBQOSA-N 1 0 309.413 3.562 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000823837146 1030408764 /nfs/dbraw/zinc/40/87/64/1030408764.db2.gz PXGGLVJHYPRFJU-AZUAARDMSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000866623917 1030411920 /nfs/dbraw/zinc/41/19/20/1030411920.db2.gz WQJGQYOUJCURGO-XHDPSFHLSA-N 1 0 311.372 3.813 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@](O)(CC)CCC(F)(F)F)c1O ZINC000897519717 1030412229 /nfs/dbraw/zinc/41/22/29/1030412229.db2.gz VCPOFTZZYAETKA-OAHLLOKOSA-N 1 0 319.367 3.528 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc2ccccc2c1O ZINC000866632833 1030412936 /nfs/dbraw/zinc/41/29/36/1030412936.db2.gz CFIWNQKUDNLJGE-SUMWQHHRSA-N 1 0 307.397 3.928 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cc(C)ccc2OC)c1 ZINC000121620356 1030448067 /nfs/dbraw/zinc/44/80/67/1030448067.db2.gz ZMDPKAKPRMOTGG-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824215431 1030497757 /nfs/dbraw/zinc/49/77/57/1030497757.db2.gz PWPXPJRBECTFDV-HNNXBMFYSA-N 1 0 318.486 3.899 20 10 DHCDRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000868090637 1030529858 /nfs/dbraw/zinc/52/98/58/1030529858.db2.gz MOLPUTGKKMGCFG-OKILXGFUSA-N 1 0 323.400 3.961 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000824482967 1030563725 /nfs/dbraw/zinc/56/37/25/1030563725.db2.gz FENGPEICVJKLLD-STQMWFEESA-N 1 0 315.438 3.941 20 10 DHCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824537601 1030584815 /nfs/dbraw/zinc/58/48/15/1030584815.db2.gz FJLFTBAGIBUTOT-INIZCTEOSA-N 1 0 318.486 3.587 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000291666296 1030587870 /nfs/dbraw/zinc/58/78/70/1030587870.db2.gz FUIOSJMZKGGJHX-PXAZEXFGSA-N 1 0 303.427 3.554 20 10 DHCDRO CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000824597858 1030591473 /nfs/dbraw/zinc/59/14/73/1030591473.db2.gz YCDZVRDOJILYOH-CQSZACIVSA-N 1 0 315.335 3.798 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690383 1030613973 /nfs/dbraw/zinc/61/39/73/1030613973.db2.gz CIETYXBLLMJYME-UHFFFAOYSA-N 1 0 315.388 3.668 20 10 DHCDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824715533 1030619964 /nfs/dbraw/zinc/61/99/64/1030619964.db2.gz LFZPAEJHACPSKR-OCCSQVGLSA-N 1 0 300.368 3.915 20 10 DHCDRO COC[C@H](C[NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000824758034 1030637931 /nfs/dbraw/zinc/63/79/31/1030637931.db2.gz FWYZNOHHAHRMRF-HNNXBMFYSA-N 1 0 305.805 3.565 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000093507400 1030647697 /nfs/dbraw/zinc/64/76/97/1030647697.db2.gz NUDSMGABMNUNJH-MJGOQNOKSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000122419791 1030699939 /nfs/dbraw/zinc/69/99/39/1030699939.db2.gz AGEYOPYYNHTMBJ-GFCCVEGCSA-N 1 0 320.383 3.890 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825044948 1030706661 /nfs/dbraw/zinc/70/66/61/1030706661.db2.gz AAJJPAVFNIQBKM-CYBMUJFWSA-N 1 0 307.315 3.895 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000825143241 1030734613 /nfs/dbraw/zinc/73/46/13/1030734613.db2.gz COTOYYAHLGNNRV-VOMCLLRMSA-N 1 0 315.360 3.602 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)c1 ZINC000825215075 1030749435 /nfs/dbraw/zinc/74/94/35/1030749435.db2.gz FYHGBPNBZHRSME-KRWDZBQOSA-N 1 0 307.459 3.510 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000825341740 1030781044 /nfs/dbraw/zinc/78/10/44/1030781044.db2.gz RARIGSAOJVTSRF-CQSZACIVSA-N 1 0 309.837 3.935 20 10 DHCDRO Cc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)sc1C ZINC000825358772 1030786060 /nfs/dbraw/zinc/78/60/60/1030786060.db2.gz VJZQKONZGMYILM-UHFFFAOYSA-N 1 0 310.850 3.760 20 10 DHCDRO COc1cc(C)ccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825354321 1030787537 /nfs/dbraw/zinc/78/75/37/1030787537.db2.gz SXSXRPSJWMJPIJ-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO CSc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccn1 ZINC000825440072 1030812318 /nfs/dbraw/zinc/81/23/18/1030812318.db2.gz AJMWWENXHLUVJD-UHFFFAOYSA-N 1 0 308.834 3.761 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825474510 1030822663 /nfs/dbraw/zinc/82/26/63/1030822663.db2.gz CLPOGUWJTPKTRG-CQSZACIVSA-N 1 0 309.793 3.814 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1Cl ZINC000825484270 1030841035 /nfs/dbraw/zinc/84/10/35/1030841035.db2.gz JNZPRMXVIJXLMZ-HNNXBMFYSA-N 1 0 316.832 3.814 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237441089 1030949908 /nfs/dbraw/zinc/94/99/08/1030949908.db2.gz DJNZEGCHBNOXHH-ROUUACIJSA-N 1 0 324.468 3.978 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cnc3ccccc3c1)CC2 ZINC000926922720 1030997746 /nfs/dbraw/zinc/99/77/46/1030997746.db2.gz KKUPJZPMGNITIG-SFHVURJKSA-N 1 0 304.393 3.760 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000926965470 1031017828 /nfs/dbraw/zinc/01/78/28/1031017828.db2.gz WDCQFGHOYWAEST-TVQRCGJNSA-N 1 0 324.774 3.579 20 10 DHCDRO Cc1nc2c(cccc2CC[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000926976493 1031025833 /nfs/dbraw/zinc/02/58/33/1031025833.db2.gz VXZNKMHXCKBILL-NSHDSACASA-N 1 0 314.360 3.874 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000927009394 1031029548 /nfs/dbraw/zinc/02/95/48/1031029548.db2.gz CPSQQFQXTXCZLQ-HIFRSBDPSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000927009396 1031033447 /nfs/dbraw/zinc/03/34/47/1031033447.db2.gz CPSQQFQXTXCZLQ-ZFWWWQNUSA-N 1 0 305.418 3.543 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c(O)c1C ZINC000927071109 1031073579 /nfs/dbraw/zinc/07/35/79/1031073579.db2.gz XBWWIYBEDNEZPM-ZVZYQTTQSA-N 1 0 303.446 3.865 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]1(c3ccccc3)CCCO1)CC2 ZINC000927118744 1031102624 /nfs/dbraw/zinc/10/26/24/1031102624.db2.gz HGPPFASNSKXYHO-PXNSSMCTSA-N 1 0 309.409 3.675 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(C)cc1O ZINC000927140052 1031114095 /nfs/dbraw/zinc/11/40/95/1031114095.db2.gz PPFMNOSAJNGXCZ-GGPKGHCWSA-N 1 0 311.425 3.790 20 10 DHCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000123531186 1031166605 /nfs/dbraw/zinc/16/66/05/1031166605.db2.gz PYINBILBYBTRJV-CRAIPNDOSA-N 1 0 322.468 3.874 20 10 DHCDRO c1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000123654378 1031226711 /nfs/dbraw/zinc/22/67/11/1031226711.db2.gz ITXAOIBKAMNLDV-OAQYLSRUSA-N 1 0 322.452 3.860 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844745709 1031309813 /nfs/dbraw/zinc/30/98/13/1031309813.db2.gz FEQMEKDMPCBLMV-MRXNPFEDSA-N 1 0 304.340 3.562 20 10 DHCDRO CCCN(C[C@@H]1CCOc2ccccc21)c1ccc(C[NH3+])cc1 ZINC000322132306 1031374664 /nfs/dbraw/zinc/37/46/64/1031374664.db2.gz OMIUMYIWEDWJRH-KRWDZBQOSA-N 1 0 310.441 3.928 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123863699 1031380019 /nfs/dbraw/zinc/38/00/19/1031380019.db2.gz VFEUBIDLPOHTIJ-UZLBHIALSA-N 1 0 311.473 3.706 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872036008 1031419317 /nfs/dbraw/zinc/41/93/17/1031419317.db2.gz RNYTXZRXZBDYSQ-CYBMUJFWSA-N 1 0 302.393 3.757 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc2ccccc2c1O ZINC000872111654 1031503789 /nfs/dbraw/zinc/50/37/89/1031503789.db2.gz FNVKOTSLEGHRFJ-UKRRQHHQSA-N 1 0 313.397 3.539 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000872132441 1031526285 /nfs/dbraw/zinc/52/62/85/1031526285.db2.gz HSLGUUOYIBXNAC-FMEYXAORSA-N 1 0 315.413 3.564 20 10 DHCDRO CC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1O ZINC001144416485 1031557087 /nfs/dbraw/zinc/55/70/87/1031557087.db2.gz JRZFQTMUJIGYID-UHFFFAOYSA-N 1 0 315.804 3.944 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260041 1031565783 /nfs/dbraw/zinc/56/57/83/1031565783.db2.gz HBGJZKXPHXMYNK-QGZVFWFLSA-N 1 0 319.445 3.715 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1 ZINC000293798537 1031630462 /nfs/dbraw/zinc/63/04/62/1031630462.db2.gz RADPGQRKGGMKAU-HNNXBMFYSA-N 1 0 312.413 3.688 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000872721185 1031648767 /nfs/dbraw/zinc/64/87/67/1031648767.db2.gz CVVVSILHDMVGFE-GXTWGEPZSA-N 1 0 321.486 3.580 20 10 DHCDRO CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)COC1 ZINC000293864197 1031663162 /nfs/dbraw/zinc/66/31/62/1031663162.db2.gz UQHOALAYLYFJFY-GOSISDBHSA-N 1 0 311.425 3.692 20 10 DHCDRO C[N@H+](Cc1cccc2ccccc21)Cc1c(O)cc(O)cc1O ZINC001144509185 1031665496 /nfs/dbraw/zinc/66/54/96/1031665496.db2.gz OGAAPTXIUZOYRC-UHFFFAOYSA-N 1 0 309.365 3.589 20 10 DHCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000872814320 1031667148 /nfs/dbraw/zinc/66/71/48/1031667148.db2.gz ZAWFROHAQXPHHD-UHFFFAOYSA-N 1 0 324.424 3.526 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000872817451 1031667282 /nfs/dbraw/zinc/66/72/82/1031667282.db2.gz ZTVUEIROEZNXMT-TZMCWYRMSA-N 1 0 317.351 3.551 20 10 DHCDRO Cc1cnn(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)c1 ZINC000361051284 1031696896 /nfs/dbraw/zinc/69/68/96/1031696896.db2.gz WWKUGYLSZJALDO-UHFFFAOYSA-N 1 0 319.836 3.696 20 10 DHCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000873155503 1031731008 /nfs/dbraw/zinc/73/10/08/1031731008.db2.gz MJDQQRNXGLDRLV-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)ccc(C)c2F)c1 ZINC000930216390 1031739782 /nfs/dbraw/zinc/73/97/82/1031739782.db2.gz GWTDPFDILVQJMX-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)o2)cc1 ZINC001137070251 1031786544 /nfs/dbraw/zinc/78/65/44/1031786544.db2.gz HIABPFAGGDHCQH-UHFFFAOYSA-N 1 0 313.445 3.578 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)c1 ZINC000845971400 1031789789 /nfs/dbraw/zinc/78/97/89/1031789789.db2.gz JRVIHQAVODSMAZ-ZDUSSCGKSA-N 1 0 301.386 3.574 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846010865 1031806597 /nfs/dbraw/zinc/80/65/97/1031806597.db2.gz RUUDVSCXMZZESU-GOSISDBHSA-N 1 0 317.816 3.529 20 10 DHCDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000846059038 1031816456 /nfs/dbraw/zinc/81/64/56/1031816456.db2.gz XJERFIHTXJLEOI-KRWDZBQOSA-N 1 0 316.489 3.517 20 10 DHCDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000561314781 1031819003 /nfs/dbraw/zinc/81/90/03/1031819003.db2.gz KHOXMEGGSRKDTC-RMKNXTFCSA-N 1 0 323.396 3.560 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846033846 1031825579 /nfs/dbraw/zinc/82/55/79/1031825579.db2.gz BNPYLQKFKRZMLF-SCLBCKFNSA-N 1 0 319.832 3.740 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000124555209 1031844004 /nfs/dbraw/zinc/84/40/04/1031844004.db2.gz YXIMZBDGPODUPX-OAQYLSRUSA-N 1 0 324.468 3.698 20 10 DHCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2C)C(C)C)cn1 ZINC000846054507 1031847155 /nfs/dbraw/zinc/84/71/55/1031847155.db2.gz CTTYOZDOHBHHET-UHFFFAOYSA-N 1 0 314.477 3.688 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000846054200 1031848373 /nfs/dbraw/zinc/84/83/73/1031848373.db2.gz GRIZRSMVTRKXAV-ONEGZZNKSA-N 1 0 306.400 3.887 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000846147381 1031881977 /nfs/dbraw/zinc/88/19/77/1031881977.db2.gz ULOSGWYCWSTLBQ-PMUMKWKESA-N 1 0 321.461 3.893 20 10 DHCDRO COCCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846151449 1031886228 /nfs/dbraw/zinc/88/62/28/1031886228.db2.gz YMCVKZICAPSOOD-AWEZNQCLSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)c1O ZINC000846161059 1031892054 /nfs/dbraw/zinc/89/20/54/1031892054.db2.gz ARQKRACQKDNTMT-GFCCVEGCSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159403 1031892413 /nfs/dbraw/zinc/89/24/13/1031892413.db2.gz OFIMNMILSCMYLJ-NEPJUHHUSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC2(OC)CCC(C)CC2)c1O ZINC000846167364 1031893413 /nfs/dbraw/zinc/89/34/13/1031893413.db2.gz IVVXZEPTQAUOOC-FVRSWCFKSA-N 1 0 307.434 3.647 20 10 DHCDRO CCO[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846165451 1031894977 /nfs/dbraw/zinc/89/49/77/1031894977.db2.gz MLFXHDMIFUYYSH-KDOFPFPSSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1O ZINC000846136557 1031899508 /nfs/dbraw/zinc/89/95/08/1031899508.db2.gz JYCYRKPKDLKDDU-CYBMUJFWSA-N 1 0 310.397 3.775 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)COc2ccc(C)cc2)c1O ZINC000846141099 1031902590 /nfs/dbraw/zinc/90/25/90/1031902590.db2.gz DJRQFIVCQCGFOU-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2F)c1O ZINC000846142190 1031903166 /nfs/dbraw/zinc/90/31/66/1031903166.db2.gz DCNOYBPLKKLORK-OLZOCXBDSA-N 1 0 303.377 3.822 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846142460 1031904022 /nfs/dbraw/zinc/90/40/22/1031904022.db2.gz FHNJZFZPVNBGBG-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCOc2ccc(F)cc2)c1O ZINC000846142752 1031904621 /nfs/dbraw/zinc/90/46/21/1031904621.db2.gz VUOMBAXMEIGFFL-ZDUSSCGKSA-N 1 0 319.376 3.660 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146918 1031908907 /nfs/dbraw/zinc/90/89/07/1031908907.db2.gz SWOKXANHXLCXMC-OLZOCXBDSA-N 1 0 303.406 3.590 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1O ZINC000846146265 1031909509 /nfs/dbraw/zinc/90/95/09/1031909509.db2.gz OVSIPIUENUDZQV-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000846183352 1031916324 /nfs/dbraw/zinc/91/63/24/1031916324.db2.gz IAEGNYOZKYSGIR-SUNYJGFJSA-N 1 0 301.430 3.993 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000846185289 1031919607 /nfs/dbraw/zinc/91/96/07/1031919607.db2.gz AZVOPRJROIOGLH-ZJNRKIDTSA-N 1 0 319.832 3.992 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000846200024 1031928244 /nfs/dbraw/zinc/92/82/44/1031928244.db2.gz FAOQKHBTVJOPMS-OGWOLHLISA-N 1 0 312.413 3.667 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846212455 1031942832 /nfs/dbraw/zinc/94/28/32/1031942832.db2.gz DUZLYZISZUFWAJ-NEPJUHHUSA-N 1 0 300.229 3.943 20 10 DHCDRO CC(C)Oc1ccc(N(C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000825699777 1031943447 /nfs/dbraw/zinc/94/34/47/1031943447.db2.gz XRFNSJSEAXZEPD-UHFFFAOYSA-N 1 0 322.412 3.691 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cnn(CC2CCC2)c1 ZINC000898178178 1031980330 /nfs/dbraw/zinc/98/03/30/1031980330.db2.gz YQSNWUXXRWAYQT-GFCCVEGCSA-N 1 0 319.836 3.893 20 10 DHCDRO Cc1ccc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c(O)c1 ZINC000877490463 1033318707 /nfs/dbraw/zinc/31/87/07/1033318707.db2.gz WPAGJMIDQUONSP-QGZVFWFLSA-N 1 0 312.413 3.698 20 10 DHCDRO CC(C)(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877554955 1033353900 /nfs/dbraw/zinc/35/39/00/1033353900.db2.gz OSVXORUZEHSHCS-UHFFFAOYSA-N 1 0 316.489 3.564 20 10 DHCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877555734 1033354502 /nfs/dbraw/zinc/35/45/02/1033354502.db2.gz ZSGBLZKSVPPSQJ-QGZVFWFLSA-N 1 0 316.489 3.564 20 10 DHCDRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001172776526 1033363653 /nfs/dbraw/zinc/36/36/53/1033363653.db2.gz LDMAEMFASQTXPI-XIRDDKMYSA-N 1 0 318.461 3.525 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000877637683 1033390660 /nfs/dbraw/zinc/39/06/60/1033390660.db2.gz ZBRNGVCNAXERAX-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1C ZINC000877674938 1033407784 /nfs/dbraw/zinc/40/77/84/1033407784.db2.gz XMWIZLKMMSSYSE-OALUTQOASA-N 1 0 311.425 3.707 20 10 DHCDRO COc1cccc(O)c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000877675466 1033408451 /nfs/dbraw/zinc/40/84/51/1033408451.db2.gz QSZPYRGUNOGPGI-UHFFFAOYSA-N 1 0 307.459 3.510 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000877708712 1033421284 /nfs/dbraw/zinc/42/12/84/1033421284.db2.gz UKFGSTLBGLUPIW-OAHLLOKOSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000877730364 1033422989 /nfs/dbraw/zinc/42/29/89/1033422989.db2.gz XWACSNQLLVYGMO-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(O)c1O ZINC001172856906 1033425782 /nfs/dbraw/zinc/42/57/82/1033425782.db2.gz AOOXCTGUZGHXJI-JTQLQIEISA-N 1 0 309.768 3.611 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)ncc1Br ZINC000877755667 1033432699 /nfs/dbraw/zinc/43/26/99/1033432699.db2.gz KVIBAEBUDLMKJE-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756501 1033434404 /nfs/dbraw/zinc/43/44/04/1033434404.db2.gz NGGVEMLNOOMZTC-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(N(C)C)cc1 ZINC000927069671 1033509714 /nfs/dbraw/zinc/50/97/14/1033509714.db2.gz MLTRERHTJGQEDZ-MOPGFXCFSA-N 1 0 314.477 3.924 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1 ZINC000924710488 1033561696 /nfs/dbraw/zinc/56/16/96/1033561696.db2.gz LLHYLJANYWSCQV-LSJNQWAISA-N 1 0 302.462 3.580 20 10 DHCDRO C[C@H](O)C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000153250310 1033568203 /nfs/dbraw/zinc/56/82/03/1033568203.db2.gz LQUBFAQJEVFGFU-ZFWWWQNUSA-N 1 0 319.832 3.690 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC1CC1 ZINC000862228802 1033787347 /nfs/dbraw/zinc/78/73/47/1033787347.db2.gz XYSKEEPLWWCHMT-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)c1 ZINC000862476459 1033863656 /nfs/dbraw/zinc/86/36/56/1033863656.db2.gz UVBHNTXGZLZVTG-CQSZACIVSA-N 1 0 309.413 3.688 20 10 DHCDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000862489302 1033868763 /nfs/dbraw/zinc/86/87/63/1033868763.db2.gz HOQNOXAFJWACLM-QAQDUYKDSA-N 1 0 309.425 3.995 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2CCN2C2CCCC2)ccc2ccccc21 ZINC000862522903 1033872172 /nfs/dbraw/zinc/87/21/72/1033872172.db2.gz LCWHBFALEWGAMI-SFHVURJKSA-N 1 0 310.441 3.652 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000862530278 1033875495 /nfs/dbraw/zinc/87/54/95/1033875495.db2.gz YMEUJPURWQWDOS-PLNGDYQASA-N 1 0 308.425 3.530 20 10 DHCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1F ZINC000862541381 1033881498 /nfs/dbraw/zinc/88/14/98/1033881498.db2.gz PVLXEBXCLVQLMQ-CYBMUJFWSA-N 1 0 319.351 3.669 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000927124931 1033960283 /nfs/dbraw/zinc/96/02/83/1033960283.db2.gz OOCWSONQNXCXRL-KBPBESRZSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1O ZINC000927124934 1033960806 /nfs/dbraw/zinc/96/08/06/1033960806.db2.gz OOCWSONQNXCXRL-ZIAGYGMSSA-N 1 0 305.418 3.543 20 10 DHCDRO Oc1c(C[NH2+]CCOC2CCSCC2)ccc2ccccc21 ZINC000898441209 1034019757 /nfs/dbraw/zinc/01/97/57/1034019757.db2.gz PBNOEWYJJQIBJA-UHFFFAOYSA-N 1 0 317.454 3.547 20 10 DHCDRO CCn1c2cccc(F)c2nc1C[NH2+][C@H](C)c1ccccc1O ZINC000879648555 1034069409 /nfs/dbraw/zinc/06/94/09/1034069409.db2.gz TVHVXHANVSKJFN-GFCCVEGCSA-N 1 0 313.376 3.752 20 10 DHCDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1C ZINC000879648288 1034069598 /nfs/dbraw/zinc/06/95/98/1034069598.db2.gz IQKVRDAJOALVAZ-GFCCVEGCSA-N 1 0 318.442 3.668 20 10 DHCDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879651544 1034073807 /nfs/dbraw/zinc/07/38/07/1034073807.db2.gz AHQGHHZCHLWZFQ-GJZGRUSLSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879651545 1034074999 /nfs/dbraw/zinc/07/49/99/1034074999.db2.gz AHQGHHZCHLWZFQ-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177928211 1034197973 /nfs/dbraw/zinc/19/79/73/1034197973.db2.gz UGJVPQOMISGLGF-HOCLYGCPSA-N 1 0 306.425 3.646 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@H](C)[C@@H]3C)cc2)CC1 ZINC000842163105 1034219462 /nfs/dbraw/zinc/21/94/62/1034219462.db2.gz JZXSWYSVEPEGLB-ULQDDVLXSA-N 1 0 316.489 3.778 20 10 DHCDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183423694 1034386132 /nfs/dbraw/zinc/38/61/32/1034386132.db2.gz SZVMOYQYUUAGFW-CQSZACIVSA-N 1 0 312.413 3.982 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O ZINC000183445259 1034387593 /nfs/dbraw/zinc/38/75/93/1034387593.db2.gz YEUPDFNRLHTWFF-LSDHHAIUSA-N 1 0 314.404 3.708 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000183513204 1034394924 /nfs/dbraw/zinc/39/49/24/1034394924.db2.gz NXPQUYMAZKUNKS-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1ccc(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000777400956 1034425412 /nfs/dbraw/zinc/42/54/12/1034425412.db2.gz HRRICTKJWJVFTA-FQEVSTJZSA-N 1 0 308.425 3.505 20 10 DHCDRO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C)cc1O ZINC000794795793 1034467486 /nfs/dbraw/zinc/46/74/86/1034467486.db2.gz IVGGAHYFPJDRRN-ZDUSSCGKSA-N 1 0 305.340 3.710 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(C)cc1O ZINC000794801760 1034472251 /nfs/dbraw/zinc/47/22/51/1034472251.db2.gz KYRCLDCETOJECI-ONIAQPFYSA-N 1 0 303.446 3.945 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(C)cc1O ZINC000794802679 1034472343 /nfs/dbraw/zinc/47/23/43/1034472343.db2.gz OCYTUCJYACALFT-QAPCUYQASA-N 1 0 311.425 3.993 20 10 DHCDRO CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C)cc1O ZINC000794805569 1034491736 /nfs/dbraw/zinc/49/17/36/1034491736.db2.gz XGRJWSGWMNZAIG-QGZVFWFLSA-N 1 0 318.461 3.532 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000184845990 1034504603 /nfs/dbraw/zinc/50/46/03/1034504603.db2.gz KLWOQJWIARPEAX-WDEREUQCSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000184872130 1034506410 /nfs/dbraw/zinc/50/64/10/1034506410.db2.gz OELTWLMDHFILHK-ZDUSSCGKSA-N 1 0 307.825 3.600 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000184998906 1034518131 /nfs/dbraw/zinc/51/81/31/1034518131.db2.gz QGOCZFZXJGXRBG-GJZGRUSLSA-N 1 0 314.404 3.708 20 10 DHCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000185002062 1034519549 /nfs/dbraw/zinc/51/95/49/1034519549.db2.gz QUOUMHNBAZCFCK-STQMWFEESA-N 1 0 313.445 3.725 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794813020 1034519985 /nfs/dbraw/zinc/51/99/85/1034519985.db2.gz ARXYTCSGYVTNIO-AYOQOUSVSA-N 1 0 313.441 3.733 20 10 DHCDRO CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccc(C)cc1O ZINC000794817429 1034526825 /nfs/dbraw/zinc/52/68/25/1034526825.db2.gz NAYRLRQESZCHGJ-QAPCUYQASA-N 1 0 317.429 3.982 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812328 1034530471 /nfs/dbraw/zinc/53/04/71/1034530471.db2.gz VVEOIPYGAOHGHJ-SJORKVTESA-N 1 0 303.377 3.614 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794824630 1034534419 /nfs/dbraw/zinc/53/44/19/1034534419.db2.gz KSKWEBYEFCFUIE-ZFWWWQNUSA-N 1 0 322.449 3.655 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1O ZINC000185209076 1034536774 /nfs/dbraw/zinc/53/67/74/1034536774.db2.gz XNEFDKUVZAVIAZ-LJQANCHMSA-N 1 0 321.424 3.878 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216401 1034536875 /nfs/dbraw/zinc/53/68/75/1034536875.db2.gz FBKYOATUHIFXIS-PIGZYNQJSA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]([NH2+]CCc1nccs1)c1cc2c(cc1O)CCCC2 ZINC000185248193 1034537590 /nfs/dbraw/zinc/53/75/90/1034537590.db2.gz WWPMQOYLXBCUND-GFCCVEGCSA-N 1 0 302.443 3.621 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270571 1034538304 /nfs/dbraw/zinc/53/83/04/1034538304.db2.gz IFVBWZNAIJRGFY-SUMWQHHRSA-N 1 0 313.397 3.965 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000185737574 1034571871 /nfs/dbraw/zinc/57/18/71/1034571871.db2.gz LDELSVLKMRDOPY-NUJGCVRESA-N 1 0 313.441 3.906 20 10 DHCDRO COCCC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186134378 1034601683 /nfs/dbraw/zinc/60/16/83/1034601683.db2.gz JSFCBUWNRAUFFA-CQSZACIVSA-N 1 0 303.446 3.738 20 10 DHCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000186270550 1034616061 /nfs/dbraw/zinc/61/60/61/1034616061.db2.gz BFMORZFDKVIIFF-MRXNPFEDSA-N 1 0 316.489 3.564 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518271 1034637407 /nfs/dbraw/zinc/63/74/07/1034637407.db2.gz UGACFSIQHDCTFH-RRFJBIMHSA-N 1 0 320.452 3.835 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c(O)c1 ZINC000186521435 1034637761 /nfs/dbraw/zinc/63/77/61/1034637761.db2.gz KAPXRQCSNDGLTR-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(N(C)C)cc1 ZINC000186619760 1034648957 /nfs/dbraw/zinc/64/89/57/1034648957.db2.gz NMDZKQADGHDPAB-OAHLLOKOSA-N 1 0 312.457 3.831 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(N(C)C)cc1 ZINC000186619742 1034649440 /nfs/dbraw/zinc/64/94/40/1034649440.db2.gz NMDZKQADGHDPAB-HNNXBMFYSA-N 1 0 312.457 3.831 20 10 DHCDRO CCSc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)ccn1 ZINC000187793890 1034733970 /nfs/dbraw/zinc/73/39/70/1034733970.db2.gz HWOOZWRCAUQJNH-LBPRGKRZSA-N 1 0 318.442 3.759 20 10 DHCDRO CCO[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000193436500 1034844122 /nfs/dbraw/zinc/84/41/22/1034844122.db2.gz XLTZVZIHOQXLGC-IFXJQAMLSA-N 1 0 315.413 3.829 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)cc1 ZINC001176965010 1035340692 /nfs/dbraw/zinc/34/06/92/1035340692.db2.gz HQCAUARNOTUDJJ-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC001177066366 1035346473 /nfs/dbraw/zinc/34/64/73/1035346473.db2.gz VUYFRVRTVCQYMM-GEPASTNRSA-N 1 0 323.484 3.658 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC001177510343 1035374907 /nfs/dbraw/zinc/37/49/07/1035374907.db2.gz CZFMKFZIQPGXEU-UHFFFAOYSA-N 1 0 319.452 3.592 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCc2ccccc21 ZINC001177519652 1035375977 /nfs/dbraw/zinc/37/59/77/1035375977.db2.gz IYBLJKCTGRFWFF-UHFFFAOYSA-N 1 0 319.452 3.639 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1F ZINC001177869398 1035394314 /nfs/dbraw/zinc/39/43/14/1035394314.db2.gz BQQJCNKTCGLTNZ-CRAIPNDOSA-N 1 0 322.468 3.823 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCCNc2ccccc2)c(Cl)c1 ZINC001177905859 1035398071 /nfs/dbraw/zinc/39/80/71/1035398071.db2.gz UIEZPPOKAAEXMQ-UHFFFAOYSA-N 1 0 304.821 3.946 20 10 DHCDRO CCOc1ccc(O)c(CNc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC000904470057 1035417831 /nfs/dbraw/zinc/41/78/31/1035417831.db2.gz GCNIMRJTXWOUAV-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000773752886 1035437745 /nfs/dbraw/zinc/43/77/45/1035437745.db2.gz KTMVFZNNKDNTTB-UHFFFAOYSA-N 1 0 302.462 3.535 20 10 DHCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232385 1035452825 /nfs/dbraw/zinc/45/28/25/1035452825.db2.gz BSWWYKPKSJVHMV-QGZVFWFLSA-N 1 0 312.457 3.907 20 10 DHCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240411 1035469108 /nfs/dbraw/zinc/46/91/08/1035469108.db2.gz RPAYBJFXWCTIFF-HXUWFJFHSA-N 1 0 312.457 3.763 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000773809997 1035472058 /nfs/dbraw/zinc/47/20/58/1035472058.db2.gz HBTGHGDHBDPZMF-FQEVSTJZSA-N 1 0 312.457 3.746 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCc2ccc(OC)nc2)cc1C ZINC001179308798 1035472696 /nfs/dbraw/zinc/47/26/96/1035472696.db2.gz SVFJSCMVCJZYBB-UHFFFAOYSA-N 1 0 314.429 3.520 20 10 DHCDRO CCN(C)c1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1 ZINC000773815122 1035479949 /nfs/dbraw/zinc/47/99/49/1035479949.db2.gz ZCDMHGGRZQAWJX-UHFFFAOYSA-N 1 0 310.441 3.930 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1F ZINC001179502252 1035481916 /nfs/dbraw/zinc/48/19/16/1035481916.db2.gz NIHFAFUUQIYMSD-UHFFFAOYSA-N 1 0 300.368 3.949 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001179717496 1035494333 /nfs/dbraw/zinc/49/43/33/1035494333.db2.gz UDQYTCLLRKUPNW-OVKVCFKUSA-N 1 0 314.473 3.847 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000773844864 1035634363 /nfs/dbraw/zinc/63/43/63/1035634363.db2.gz IREXJGMCRNPUGC-UHFFFAOYSA-N 1 0 324.468 3.626 20 10 DHCDRO Oc1ccccc1C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000153112026 1035726505 /nfs/dbraw/zinc/72/65/05/1035726505.db2.gz IIXRGKOCCQIGNH-UHFFFAOYSA-N 1 0 311.303 3.623 20 10 DHCDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204279374 1035753702 /nfs/dbraw/zinc/75/37/02/1035753702.db2.gz WQVHIOWWLDQXNC-UHFFFAOYSA-N 1 0 315.489 3.977 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1(F)F ZINC001233452425 1036009674 /nfs/dbraw/zinc/00/96/74/1036009674.db2.gz WDQWSJUDGXDONV-SECBINFHSA-N 1 0 309.278 3.888 20 10 DHCDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000227327197 1036069052 /nfs/dbraw/zinc/06/90/52/1036069052.db2.gz UVRZXZWZMJYUNW-UHFFFAOYSA-N 1 0 317.260 3.521 20 10 DHCDRO CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC001182298687 1036191095 /nfs/dbraw/zinc/19/10/95/1036191095.db2.gz PLCURLCEKLAVOU-HNNXBMFYSA-N 1 0 307.434 3.858 20 10 DHCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(CC)CC ZINC001204335834 1036252381 /nfs/dbraw/zinc/25/23/81/1036252381.db2.gz XMDUBUCTRAMKHR-MSOLQXFVSA-N 1 0 321.461 3.816 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)c1 ZINC001182410800 1036268181 /nfs/dbraw/zinc/26/81/81/1036268181.db2.gz ULRCIYVASPNEOX-FQEVSTJZSA-N 1 0 311.425 3.902 20 10 DHCDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c1 ZINC000775659994 1036268743 /nfs/dbraw/zinc/26/87/43/1036268743.db2.gz QVTJYLQOKGWCEQ-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccc(Cl)cc2)c1 ZINC000775665870 1036292384 /nfs/dbraw/zinc/29/23/84/1036292384.db2.gz MKCDEVXBPNEKCD-UHFFFAOYSA-N 1 0 305.805 3.729 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000775671155 1036330594 /nfs/dbraw/zinc/33/05/94/1036330594.db2.gz WTABQKBVZVJZKT-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1O ZINC000775676296 1036401197 /nfs/dbraw/zinc/40/11/97/1036401197.db2.gz PQIWMDBTJDQOPQ-INIZCTEOSA-N 1 0 311.381 3.766 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc3ccccc32)c(O)c1 ZINC001182835232 1036466940 /nfs/dbraw/zinc/46/69/40/1036466940.db2.gz PFGLHEAJUVGZLE-FQEVSTJZSA-N 1 0 307.393 3.677 20 10 DHCDRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001182856162 1036470338 /nfs/dbraw/zinc/47/03/38/1036470338.db2.gz UDAPSNBRBUKUBI-MOPGFXCFSA-N 1 0 324.468 3.885 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC1(C)C ZINC001182856109 1036470812 /nfs/dbraw/zinc/47/08/12/1036470812.db2.gz SAQJTXIKZHZLKZ-JLSDUUJJSA-N 1 0 302.462 3.688 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000775699138 1036474408 /nfs/dbraw/zinc/47/44/08/1036474408.db2.gz ZZRIALIPMZCJDS-GOSISDBHSA-N 1 0 315.438 3.691 20 10 DHCDRO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000775713731 1036523982 /nfs/dbraw/zinc/52/39/82/1036523982.db2.gz MBZLWCMWSHCZSV-APWZRJJASA-N 1 0 311.425 3.971 20 10 DHCDRO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000762118536 1036530255 /nfs/dbraw/zinc/53/02/55/1036530255.db2.gz HOSQNXHNHXJBIF-UHFFFAOYSA-N 1 0 323.751 3.545 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c1 ZINC000775727010 1036571603 /nfs/dbraw/zinc/57/16/03/1036571603.db2.gz DYSSNWJNUGZTFO-CJNGLKHVSA-N 1 0 301.386 3.967 20 10 DHCDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000698960365 1036592053 /nfs/dbraw/zinc/59/20/53/1036592053.db2.gz GLBACLXSZKDYID-LLVKDONJSA-N 1 0 306.397 3.699 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001183671409 1036645799 /nfs/dbraw/zinc/64/57/99/1036645799.db2.gz HTWYYCVIPPXIFA-HNNXBMFYSA-N 1 0 300.368 3.835 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccccc1O ZINC001197004788 1036667820 /nfs/dbraw/zinc/66/78/20/1036667820.db2.gz VVIUEDKRCKKHNP-DNVCBOLYSA-N 1 0 321.420 3.800 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000915228236 1036721319 /nfs/dbraw/zinc/72/13/19/1036721319.db2.gz KEXSGJAXQPEXHP-QGZVFWFLSA-N 1 0 314.477 3.688 20 10 DHCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762649542 1036892311 /nfs/dbraw/zinc/89/23/11/1036892311.db2.gz NNUHFROPBNSCQQ-UQPPLGOBSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cncs1 ZINC000163598003 1036903074 /nfs/dbraw/zinc/90/30/74/1036903074.db2.gz ATTCGLASVUJCGD-ZDUSSCGKSA-N 1 0 319.499 3.547 20 10 DHCDRO COc1c(C)cnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834115 1036995116 /nfs/dbraw/zinc/99/51/16/1036995116.db2.gz PPLDFAHYMBOLLZ-OAHLLOKOSA-N 1 0 313.445 3.624 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1O ZINC000237218748 1036996699 /nfs/dbraw/zinc/99/66/99/1036996699.db2.gz IDINHDYUVVDMAT-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO CCC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000774869555 1037127530 /nfs/dbraw/zinc/12/75/30/1037127530.db2.gz MAAWIOJZFHFEDD-UHFFFAOYSA-N 1 0 322.449 3.519 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825529578 1037338123 /nfs/dbraw/zinc/33/81/23/1037338123.db2.gz FFYNPSLSHGNDHU-IAGOWNOFSA-N 1 0 309.837 3.649 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000776043183 1037395721 /nfs/dbraw/zinc/39/57/21/1037395721.db2.gz WALAAOVTGDPSEF-MRXNPFEDSA-N 1 0 301.361 3.843 20 10 DHCDRO CCO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000775028495 1037430267 /nfs/dbraw/zinc/43/02/67/1037430267.db2.gz RLYDFOUGZLLQIG-KRWDZBQOSA-N 1 0 305.805 3.913 20 10 DHCDRO CC(C)[NH+](CCCNCc1ccc2c(c1)CCCO2)C(C)C ZINC001200923880 1037466660 /nfs/dbraw/zinc/46/66/60/1037466660.db2.gz URNURJNTBGROJK-UHFFFAOYSA-N 1 0 304.478 3.610 20 10 DHCDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152705568 1037518982 /nfs/dbraw/zinc/51/89/82/1037518982.db2.gz KPZXJWRLPLJOPO-HUUCEWRRSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152871763 1037624432 /nfs/dbraw/zinc/62/44/32/1037624432.db2.gz NMBQHEKNZDYORH-GOEBONIOSA-N 1 0 308.441 3.892 20 10 DHCDRO CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000776168847 1037671599 /nfs/dbraw/zinc/67/15/99/1037671599.db2.gz RTYUVEIBIOPJNE-QFBILLFUSA-N 1 0 318.505 3.982 20 10 DHCDRO CCCN(Cc1c(C)nc2ccccn21)c1ccc(C[NH3+])cc1 ZINC000775139411 1037701227 /nfs/dbraw/zinc/70/12/27/1037701227.db2.gz AGGZESNIVJFBAT-UHFFFAOYSA-N 1 0 308.429 3.518 20 10 DHCDRO CCCN(Cc1c(O)cccc1Cl)c1ccc(C[NH3+])cc1 ZINC000775141043 1037709515 /nfs/dbraw/zinc/70/95/15/1037709515.db2.gz VACZXNGBQZPUDC-UHFFFAOYSA-N 1 0 304.821 3.921 20 10 DHCDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C[NH3+])cc1 ZINC000775141030 1037710325 /nfs/dbraw/zinc/71/03/25/1037710325.db2.gz USCHAVPVTFYZRN-UHFFFAOYSA-N 1 0 317.364 3.609 20 10 DHCDRO CCOCCC1(C[NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC001201601155 1037806365 /nfs/dbraw/zinc/80/63/65/1037806365.db2.gz TXJBKIQLAFAXQW-UHFFFAOYSA-N 1 0 300.446 3.783 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)c1O ZINC000763395760 1037823579 /nfs/dbraw/zinc/82/35/79/1037823579.db2.gz YHJPVMUSIZZMPB-ZDUSSCGKSA-N 1 0 305.805 3.911 20 10 DHCDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000029656438 1037867025 /nfs/dbraw/zinc/86/70/25/1037867025.db2.gz BSPZFDOIKAWYSN-CQSZACIVSA-N 1 0 315.413 3.872 20 10 DHCDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001201919516 1037939254 /nfs/dbraw/zinc/93/92/54/1037939254.db2.gz DTWKGFGVEABSGC-CQSZACIVSA-N 1 0 315.486 3.945 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000776230148 1037972333 /nfs/dbraw/zinc/97/23/33/1037972333.db2.gz HALQVUIEZKHMDP-APPDUMDISA-N 1 0 323.795 3.705 20 10 DHCDRO CCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001202066086 1038000625 /nfs/dbraw/zinc/00/06/25/1038000625.db2.gz KHVYDXCDGXAGIM-AWEZNQCLSA-N 1 0 300.450 3.518 20 10 DHCDRO CC(C)[N@H+](Cc1cn2ccccc2n1)Cc1ccc(N(C)C)cc1 ZINC000917074818 1038163320 /nfs/dbraw/zinc/16/33/20/1038163320.db2.gz GYJRUTQNYBEXPO-UHFFFAOYSA-N 1 0 322.456 3.811 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000164519595 1038204864 /nfs/dbraw/zinc/20/48/64/1038204864.db2.gz NNGGTWXODICKPM-QGZVFWFLSA-N 1 0 312.413 3.750 20 10 DHCDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000775365618 1038279429 /nfs/dbraw/zinc/27/94/29/1038279429.db2.gz VKVGOGPHFCVBEN-FCEWJHQRSA-N 1 0 304.478 3.854 20 10 DHCDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000775365617 1038279830 /nfs/dbraw/zinc/27/98/30/1038279830.db2.gz VKVGOGPHFCVBEN-BXWFABGCSA-N 1 0 304.478 3.854 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001190436878 1038315555 /nfs/dbraw/zinc/31/55/55/1038315555.db2.gz NEQHTNCQBCSMSK-UXHICEINSA-N 1 0 316.489 3.921 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775410916 1038378929 /nfs/dbraw/zinc/37/89/29/1038378929.db2.gz CHINDTWAHYUWTM-RDJZCZTQSA-N 1 0 305.805 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000775488566 1038562242 /nfs/dbraw/zinc/56/22/42/1038562242.db2.gz OMVPRLYDSPXHIM-HRCADAONSA-N 1 0 308.853 3.713 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1O ZINC000775492165 1038562479 /nfs/dbraw/zinc/56/24/79/1038562479.db2.gz MRDQFQMLGUOKKI-DOTOQJQBSA-N 1 0 304.478 3.943 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O ZINC000775491866 1038566484 /nfs/dbraw/zinc/56/64/84/1038566484.db2.gz IJPHFDOIZXESFK-OAHLLOKOSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1O ZINC000775493365 1038577913 /nfs/dbraw/zinc/57/79/13/1038577913.db2.gz YWXILCPHDADFBJ-OAHLLOKOSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1O ZINC000775508672 1038592322 /nfs/dbraw/zinc/59/23/22/1038592322.db2.gz DWVQIPHAWHOCPT-JMGFVUJMSA-N 1 0 309.837 3.900 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000775503669 1038598423 /nfs/dbraw/zinc/59/84/23/1038598423.db2.gz LZIQBYXFPHVROO-GDBMZVCRSA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775522632 1038632323 /nfs/dbraw/zinc/63/23/23/1038632323.db2.gz WIXXXSZYAFOYIZ-BONVTDFDSA-N 1 0 307.825 3.749 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775522634 1038633635 /nfs/dbraw/zinc/63/36/35/1038633635.db2.gz WIXXXSZYAFOYIZ-ZUZCIYMTSA-N 1 0 307.825 3.749 20 10 DHCDRO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2cc(Cl)ccc2O)[nH]1 ZINC000775523866 1038636548 /nfs/dbraw/zinc/63/65/48/1038636548.db2.gz AHZPHGIFSLLGFP-CABZTGNLSA-N 1 0 308.813 3.528 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000157516427 1039028851 /nfs/dbraw/zinc/02/88/51/1039028851.db2.gz AZRDNDRZIOBPCA-AZUAARDMSA-N 1 0 316.489 3.828 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1C ZINC000760898133 1039037636 /nfs/dbraw/zinc/03/76/36/1039037636.db2.gz OTAAZKQLSPHFSS-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)ccn1 ZINC000171140495 1039280795 /nfs/dbraw/zinc/28/07/95/1039280795.db2.gz DMBNVDRIDPCCBF-CYBMUJFWSA-N 1 0 308.381 3.800 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000172484952 1039918850 /nfs/dbraw/zinc/91/88/50/1039918850.db2.gz MGQZZQYPUZTVAT-KRWDZBQOSA-N 1 0 310.441 3.606 20 10 DHCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000227434800 1040258934 /nfs/dbraw/zinc/25/89/34/1040258934.db2.gz UNWWTRPILSMFEW-NSHDSACASA-N 1 0 324.218 3.859 20 10 DHCDRO Cc1ccccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000227434752 1040259991 /nfs/dbraw/zinc/25/99/91/1040259991.db2.gz OCPPLROMFLGHGW-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2C)c1O ZINC000761184104 1040493849 /nfs/dbraw/zinc/49/38/49/1040493849.db2.gz PYZLYBIKERPUSI-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000761203797 1040576765 /nfs/dbraw/zinc/57/67/65/1040576765.db2.gz MGRPVKLFYPFLLL-CQSZACIVSA-N 1 0 315.866 3.628 20 10 DHCDRO Nc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC001120370988 1040603407 /nfs/dbraw/zinc/60/34/07/1040603407.db2.gz LUQGRFPNQISXIA-INIZCTEOSA-N 1 0 302.443 3.512 20 10 DHCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000761216823 1040684616 /nfs/dbraw/zinc/68/46/16/1040684616.db2.gz YDAJAFUSWSXSNP-GTNSWQLSSA-N 1 0 307.340 3.536 20 10 DHCDRO CCC[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000784164800 1040689404 /nfs/dbraw/zinc/68/94/04/1040689404.db2.gz XPBJWGXCVXPLKT-UHFFFAOYSA-N 1 0 307.434 3.726 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000761226273 1040817674 /nfs/dbraw/zinc/81/76/74/1040817674.db2.gz NRXSMWVYHMTCQO-NRFANRHFSA-N 1 0 324.468 3.526 20 10 DHCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761226949 1040819730 /nfs/dbraw/zinc/81/97/30/1040819730.db2.gz XWSMKNMXYIZXJE-HXUWFJFHSA-N 1 0 324.468 3.797 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1O ZINC000236961137 202095626 /nfs/dbraw/zinc/09/56/26/202095626.db2.gz GTGAMXBECHIOEU-LLVKDONJSA-N 1 0 307.340 3.920 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)CC1 ZINC000093317578 193230905 /nfs/dbraw/zinc/23/09/05/193230905.db2.gz DCMFKXVOVWBJRO-MRXNPFEDSA-N 1 0 307.434 3.572 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1O ZINC000021810617 182292040 /nfs/dbraw/zinc/29/20/40/182292040.db2.gz RONNXXCMUDOCAN-CABCVRRESA-N 1 0 304.459 3.797 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3ccc(N(C)C)cc3)nc21 ZINC000271817625 129965369 /nfs/dbraw/zinc/96/53/69/129965369.db2.gz MGQJLXKXRWYFLB-UHFFFAOYSA-N 1 0 309.413 3.535 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000272901956 130072468 /nfs/dbraw/zinc/07/24/68/130072468.db2.gz VFGJIHYKSSIUAF-VBHSOAQHSA-N 1 0 303.377 3.958 20 10 DHCDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000273443580 130122143 /nfs/dbraw/zinc/12/21/43/130122143.db2.gz DRTDSACVCZQMSL-LBPRGKRZSA-N 1 0 311.385 3.520 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000273484312 130125782 /nfs/dbraw/zinc/12/57/82/130125782.db2.gz MWHXYMNWVKMHOS-MEDUHNTESA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000273484310 130126478 /nfs/dbraw/zinc/12/64/78/130126478.db2.gz MWHXYMNWVKMHOS-BZNIZROVSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273503953 130129076 /nfs/dbraw/zinc/12/90/76/130129076.db2.gz QSDVWZPXCLZPMF-QLEMLULZSA-N 1 0 317.454 3.850 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc([S@](C)=O)cc1 ZINC000273496206 130129261 /nfs/dbraw/zinc/12/92/61/130129261.db2.gz PFCAJDCJARFCSW-IBILFNBTSA-N 1 0 321.417 3.681 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)c1 ZINC000273530958 130133287 /nfs/dbraw/zinc/13/32/87/130133287.db2.gz WJMDWYWDHDXSDF-CXAGYDPISA-N 1 0 313.397 3.802 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1 ZINC000273562273 130137676 /nfs/dbraw/zinc/13/76/76/130137676.db2.gz IKEOZXUIHULBFE-ZIAGYGMSSA-N 1 0 324.424 3.631 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273606723 130143683 /nfs/dbraw/zinc/14/36/83/130143683.db2.gz UIDUZWWGFAHUNI-NJSLBKSFSA-N 1 0 317.404 3.921 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1O ZINC000273608602 130143921 /nfs/dbraw/zinc/14/39/21/130143921.db2.gz UZYCJPUOTGXUHT-CYBMUJFWSA-N 1 0 301.386 3.574 20 10 DHCDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273618454 130145144 /nfs/dbraw/zinc/14/51/44/130145144.db2.gz YJIFWPWHGBHVID-BDAKNGLRSA-N 1 0 311.731 3.664 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000274901763 130271226 /nfs/dbraw/zinc/27/12/26/130271226.db2.gz LJVWEMZSUBEBDE-OAHLLOKOSA-N 1 0 300.358 3.584 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCSC2)c1O ZINC000275158271 130295349 /nfs/dbraw/zinc/29/53/49/130295349.db2.gz AAOIKRLMQYYGAT-GXSJLCMTSA-N 1 0 316.264 3.619 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)ccc1OC ZINC000281647531 130876857 /nfs/dbraw/zinc/87/68/57/130876857.db2.gz MRKSYSFEBVPWLX-AWEZNQCLSA-N 1 0 313.388 3.757 20 10 DHCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000284083659 131046922 /nfs/dbraw/zinc/04/69/22/131046922.db2.gz LXPBZCYDVFHIKK-INIZCTEOSA-N 1 0 301.434 3.563 20 10 DHCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccccc32)n1 ZINC000285206620 131147516 /nfs/dbraw/zinc/14/75/16/131147516.db2.gz SZDXLKGQHYWXIF-INIZCTEOSA-N 1 0 309.369 3.574 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000285237137 131150389 /nfs/dbraw/zinc/15/03/89/131150389.db2.gz PMDHHEBQAPJTHT-HDMKZQKVSA-N 1 0 321.486 3.714 20 10 DHCDRO CN(c1ccc(C[NH2+]CC2(C)COC2)cc1)C1CCCCC1 ZINC000285343800 131159186 /nfs/dbraw/zinc/15/91/86/131159186.db2.gz CYDYIDPEFVBSDX-UHFFFAOYSA-N 1 0 302.462 3.582 20 10 DHCDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000286013418 131214975 /nfs/dbraw/zinc/21/49/75/131214975.db2.gz JHQYSQZGNQNCCK-GOSISDBHSA-N 1 0 320.452 3.979 20 10 DHCDRO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccccc1O ZINC000287340453 131275955 /nfs/dbraw/zinc/27/59/55/131275955.db2.gz GHAYYVKLBVXWQV-AWEZNQCLSA-N 1 0 314.404 3.982 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000297941644 132041126 /nfs/dbraw/zinc/04/11/26/132041126.db2.gz YCMJCCKYPSBGJS-IMFGXOCKSA-N 1 0 309.409 3.889 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000297941695 132041217 /nfs/dbraw/zinc/04/12/17/132041217.db2.gz YCMJCCKYPSBGJS-YVWKXTFCSA-N 1 0 309.409 3.889 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000079723028 331683020 /nfs/dbraw/zinc/68/30/20/331683020.db2.gz TXNPBNJKXTWHBP-KRWDZBQOSA-N 1 0 310.441 3.682 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1F ZINC000119217430 332367063 /nfs/dbraw/zinc/36/70/63/332367063.db2.gz OJMDYBMXOUZIIX-UHFFFAOYSA-N 1 0 308.441 3.671 20 10 DHCDRO COCc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1F ZINC000185495783 333209256 /nfs/dbraw/zinc/20/92/56/333209256.db2.gz BLKGBMNQXBEBQY-CYBMUJFWSA-N 1 0 303.377 3.837 20 10 DHCDRO COc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295907229 335138526 /nfs/dbraw/zinc/13/85/26/335138526.db2.gz DBUYGDRDORNDMZ-QGZVFWFLSA-N 1 0 319.470 3.915 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000295972145 335139097 /nfs/dbraw/zinc/13/90/97/335139097.db2.gz ITKHLKWSJLBCDW-MRXNPFEDSA-N 1 0 319.351 3.846 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1[O-] ZINC000296250876 335142464 /nfs/dbraw/zinc/14/24/64/335142464.db2.gz BHHJEHPNXOKPED-VHSXEESVSA-N 1 0 322.311 3.990 20 10 DHCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000296413528 335144564 /nfs/dbraw/zinc/14/45/64/335144564.db2.gz KZFWVFQQEFDVGY-OAHLLOKOSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1Cl ZINC000296562206 335146576 /nfs/dbraw/zinc/14/65/76/335146576.db2.gz ULSZEMPBOYCENW-QAPCUYQASA-N 1 0 317.816 3.530 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464619 334047579 /nfs/dbraw/zinc/04/75/79/334047579.db2.gz IHSWOBIPQUVIKQ-WMZOPIPTSA-N 1 0 319.351 3.680 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464615 334047635 /nfs/dbraw/zinc/04/76/35/334047635.db2.gz IHSWOBIPQUVIKQ-FUHWJXTLSA-N 1 0 319.351 3.680 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CC2CC(F)(F)C2)c1O ZINC000292752520 334191722 /nfs/dbraw/zinc/19/17/22/334191722.db2.gz INXRKRSIQIUDBN-UHFFFAOYSA-N 1 0 320.177 3.598 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000192928419 336284567 /nfs/dbraw/zinc/28/45/67/336284567.db2.gz ASOFNPHQQBQYEB-HNNXBMFYSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000355123919 336495575 /nfs/dbraw/zinc/49/55/75/336495575.db2.gz NSIDDTIYLCVLHE-UHFFFAOYSA-N 1 0 318.424 3.663 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)ccc21 ZINC000367620998 336826812 /nfs/dbraw/zinc/82/68/12/336826812.db2.gz RPMHIPUAJOYXTD-IBGZPJMESA-N 1 0 324.472 3.813 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000368325856 336842442 /nfs/dbraw/zinc/84/24/42/336842442.db2.gz CUODSXNLSOABJC-CJNGLKHVSA-N 1 0 313.397 3.884 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)ccc21 ZINC000374498012 336990688 /nfs/dbraw/zinc/99/06/88/336990688.db2.gz SXJOEEBLHHGGJG-TZIWHRDSSA-N 1 0 322.452 3.546 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1O ZINC000375531173 337012983 /nfs/dbraw/zinc/01/29/83/337012983.db2.gz ZPMLVTZMZIMWRM-SCTDSRPQSA-N 1 0 303.446 3.606 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccccc1O ZINC000376563426 337036915 /nfs/dbraw/zinc/03/69/15/337036915.db2.gz TXIHYYSBJCCKDL-CABCVRRESA-N 1 0 307.397 3.990 20 10 DHCDRO OC[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)c2ccccc21 ZINC000376957261 337044133 /nfs/dbraw/zinc/04/41/33/337044133.db2.gz JMBQRMVAGREVJF-MGPUTAFESA-N 1 0 319.404 3.856 20 10 DHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624214 337056655 /nfs/dbraw/zinc/05/66/55/337056655.db2.gz KLRJKGFPUHMXEH-GLJUWKHASA-N 1 0 312.413 3.940 20 10 DHCDRO COc1cccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1O ZINC000377623448 337056747 /nfs/dbraw/zinc/05/67/47/337056747.db2.gz JLDDZAPAMGZTIE-UHFFFAOYSA-N 1 0 319.351 3.715 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631066 337056773 /nfs/dbraw/zinc/05/67/73/337056773.db2.gz SLSNMOQQJSVHPC-HIFRSBDPSA-N 1 0 317.351 3.623 20 10 DHCDRO Oc1ccccc1C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000179578781 337170355 /nfs/dbraw/zinc/17/03/55/337170355.db2.gz GPYLUBIHXHKRDP-UHFFFAOYSA-N 1 0 300.377 3.608 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1C ZINC000184807835 337200225 /nfs/dbraw/zinc/20/02/25/337200225.db2.gz JLHWZUMLTSVZHE-FQEVSTJZSA-N 1 0 309.409 3.640 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113217 337253823 /nfs/dbraw/zinc/25/38/23/337253823.db2.gz RLKSYVCSXOULTB-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000247997075 337562061 /nfs/dbraw/zinc/56/20/61/337562061.db2.gz JXUNQNKHPYKTQC-VIBAHUMZSA-N 1 0 302.462 3.607 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000248517123 337564228 /nfs/dbraw/zinc/56/42/28/337564228.db2.gz PCJAHJLJCNAIQF-GDZNZVCISA-N 1 0 313.397 3.616 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000248492718 337565650 /nfs/dbraw/zinc/56/56/50/337565650.db2.gz JORVAEMCUIDHKX-NZPGVSJUSA-N 1 0 301.430 3.699 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc(C)ccc1C ZINC000527817839 337763417 /nfs/dbraw/zinc/76/34/17/337763417.db2.gz CWFBTLPJCADJIM-MRXNPFEDSA-N 1 0 313.397 3.979 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C2CC2)cn1 ZINC000528041985 337785455 /nfs/dbraw/zinc/78/54/55/337785455.db2.gz BVIOEQJWISORRD-KXBFYZLASA-N 1 0 310.397 3.524 20 10 DHCDRO CC[C@H]1C[C@H](C[NH2+]Cc2c(C)c3ccccc3n2C)CCO1 ZINC000475189047 339440739 /nfs/dbraw/zinc/44/07/39/339440739.db2.gz CZOQMWKXWLWYPV-CVEARBPZSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000475197140 339441144 /nfs/dbraw/zinc/44/11/44/339441144.db2.gz LRJPSOXGWRFRME-DNVCBOLYSA-N 1 0 300.446 3.780 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000475198923 339441223 /nfs/dbraw/zinc/44/12/23/339441223.db2.gz RQYJLXKPXZARLZ-OAHLLOKOSA-N 1 0 324.472 3.985 20 10 DHCDRO COCCC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000530095058 340779141 /nfs/dbraw/zinc/77/91/41/340779141.db2.gz KKXGHSMQLHIDIR-UHFFFAOYSA-N 1 0 303.446 3.520 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1O ZINC000182349297 518287321 /nfs/dbraw/zinc/28/73/21/518287321.db2.gz UJSOJQFLGOBCBX-LBPRGKRZSA-N 1 0 301.361 3.893 20 10 DHCDRO CC(C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157717947 519792296 /nfs/dbraw/zinc/79/22/96/519792296.db2.gz JSXGXYSFMGAGBB-CYBMUJFWSA-N 1 0 312.404 3.891 20 10 DHCDRO CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182341370 521505686 /nfs/dbraw/zinc/50/56/86/521505686.db2.gz AYLXFPJWAWRZOZ-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000156443665 522600562 /nfs/dbraw/zinc/60/05/62/522600562.db2.gz UXJLCVFAAKDOBX-ZBFHGGJFSA-N 1 0 310.397 3.559 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000159492164 522772874 /nfs/dbraw/zinc/77/28/74/522772874.db2.gz QCTILEHSDBGEDQ-CYBMUJFWSA-N 1 0 319.426 3.808 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160316346 522779278 /nfs/dbraw/zinc/77/92/78/522779278.db2.gz NXKCXBGIRSSWCL-YJYMSZOUSA-N 1 0 313.397 3.602 20 10 DHCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(C2CCCCC2)n1 ZINC000183005696 523491441 /nfs/dbraw/zinc/49/14/41/523491441.db2.gz LQEBPAQFGUWRKG-UHFFFAOYSA-N 1 0 313.445 3.805 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c1O ZINC000181376511 524440505 /nfs/dbraw/zinc/44/05/05/524440505.db2.gz KPHGZYRNZPQTMY-MRXNPFEDSA-N 1 0 303.402 3.797 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(CSC)c2)c1 ZINC000188974307 524751982 /nfs/dbraw/zinc/75/19/82/524751982.db2.gz GCJMVYSZQFNYQG-UHFFFAOYSA-N 1 0 303.427 3.554 20 10 DHCDRO COc1ncccc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985307 525061426 /nfs/dbraw/zinc/06/14/26/525061426.db2.gz UEKNAUSYKRVTHG-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000185737555 525363377 /nfs/dbraw/zinc/36/33/77/525363377.db2.gz LDELSVLKMRDOPY-SOLBZPMBSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000189308554 525486456 /nfs/dbraw/zinc/48/64/56/525486456.db2.gz WQBTZPAOFZROGS-HLIPFELVSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1O ZINC000182403194 525513502 /nfs/dbraw/zinc/51/35/02/525513502.db2.gz ZSXAPBCULUATOU-LLVKDONJSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124386519 525526521 /nfs/dbraw/zinc/52/65/21/525526521.db2.gz OYXTZSJWURIITI-NJSLBKSFSA-N 1 0 316.420 3.664 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N2CCCCC2)cc1 ZINC000188015337 525558120 /nfs/dbraw/zinc/55/81/20/525558120.db2.gz PWXJXHUSGOYFQO-ILZDJORESA-N 1 0 316.489 3.879 20 10 DHCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180257717 526348569 /nfs/dbraw/zinc/34/85/69/526348569.db2.gz SAVNRMAIKCAMNX-HOCLYGCPSA-N 1 0 321.417 3.681 20 10 DHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160531412 527589558 /nfs/dbraw/zinc/58/95/58/527589558.db2.gz RSHDFBNYYPVVEM-AWEZNQCLSA-N 1 0 314.477 3.863 20 10 DHCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753857 534948768 /nfs/dbraw/zinc/94/87/68/534948768.db2.gz QMGBDPASPOCDSI-XJKSGUPXSA-N 1 0 310.869 3.818 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000274916809 535907635 /nfs/dbraw/zinc/90/76/35/535907635.db2.gz OLDSHYQZOUOQNA-GOEBONIOSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O ZINC000274941673 535941475 /nfs/dbraw/zinc/94/14/75/535941475.db2.gz SZQLSQMNOLJBOP-DYVFJYSZSA-N 1 0 324.424 3.713 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563840 536879358 /nfs/dbraw/zinc/87/93/58/536879358.db2.gz IVZPOJOTDOYPMB-HOCLYGCPSA-N 1 0 303.402 3.949 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000154916130 1013084224 /nfs/dbraw/zinc/08/42/24/1013084224.db2.gz ZIMLTHLOCFBOOX-KDOFPFPSSA-N 1 0 322.412 3.775 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1O ZINC000154973846 1013127476 /nfs/dbraw/zinc/12/74/76/1013127476.db2.gz KECXJZLGAMMXDA-LJQANCHMSA-N 1 0 321.424 3.878 20 10 DHCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894371964 1013173184 /nfs/dbraw/zinc/17/31/84/1013173184.db2.gz IBCXTEWLNNZOER-CYBMUJFWSA-N 1 0 300.402 3.517 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000042411716 1013197766 /nfs/dbraw/zinc/19/77/66/1013197766.db2.gz LEBMJSWRQJECOO-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1Cl ZINC000296309046 1013205140 /nfs/dbraw/zinc/20/51/40/1013205140.db2.gz GGCOIQVUWBETJL-LBPRGKRZSA-N 1 0 320.820 3.917 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000155100627 1013207322 /nfs/dbraw/zinc/20/73/22/1013207322.db2.gz BOMQBHZMYOMHNH-VQIMIIECSA-N 1 0 310.441 3.959 20 10 DHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)cc1 ZINC000155149814 1013244139 /nfs/dbraw/zinc/24/41/39/1013244139.db2.gz XZZWJJBYGYMZNT-KRWDZBQOSA-N 1 0 313.397 3.747 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000894491208 1013387697 /nfs/dbraw/zinc/38/76/97/1013387697.db2.gz LESNXOYQGBYNSA-YPMHNXCESA-N 1 0 317.351 3.872 20 10 DHCDRO CCCN(CCC)c1ccc(CN[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000894771823 1013481473 /nfs/dbraw/zinc/48/14/73/1013481473.db2.gz XPEUTVZBSXDNAZ-AWEZNQCLSA-N 1 0 315.465 3.590 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2nccs2)cc1F ZINC000093843864 1013514941 /nfs/dbraw/zinc/51/49/41/1013514941.db2.gz OIAOEHSGAMVPIF-UHFFFAOYSA-N 1 0 321.465 3.803 20 10 DHCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000925092280 1013613904 /nfs/dbraw/zinc/61/39/04/1013613904.db2.gz BBJKQCLJLCZCMO-KBPBESRZSA-N 1 0 314.520 3.546 20 10 DHCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000925092288 1013614055 /nfs/dbraw/zinc/61/40/55/1013614055.db2.gz BBJKQCLJLCZCMO-UONOGXRCSA-N 1 0 314.520 3.546 20 10 DHCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000069287041 1013766524 /nfs/dbraw/zinc/76/65/24/1013766524.db2.gz MFXOJYHCZMHOQM-OAHLLOKOSA-N 1 0 314.429 3.584 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(Cl)c(F)c2)cc1 ZINC000846771465 1032077283 /nfs/dbraw/zinc/07/72/83/1032077283.db2.gz KABSQTQMYZVMLK-UHFFFAOYSA-N 1 0 307.800 3.572 20 10 DHCDRO CCCCOC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001167353750 1014032132 /nfs/dbraw/zinc/03/21/32/1014032132.db2.gz NWTDTESJRWCAOA-HNNXBMFYSA-N 1 0 319.445 3.869 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(O)cc1C ZINC000160435477 1014068259 /nfs/dbraw/zinc/06/82/59/1014068259.db2.gz ACXBKGLLHLOUJW-KRWDZBQOSA-N 1 0 312.413 3.750 20 10 DHCDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000728301192 1014234814 /nfs/dbraw/zinc/23/48/14/1014234814.db2.gz KYLVIECUPKYJEC-UYAOXDASSA-N 1 0 316.489 3.972 20 10 DHCDRO CCC[N@H+](Cc1cnc(Cl)c(F)c1)Cc1ccccc1O ZINC000846810679 1032089847 /nfs/dbraw/zinc/08/98/47/1032089847.db2.gz ZUEVGJUGVUHKKC-UHFFFAOYSA-N 1 0 308.784 3.992 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)CCC4)cc2)CC1 ZINC001167434733 1014353335 /nfs/dbraw/zinc/35/33/35/1014353335.db2.gz UUBBNXWQCFYODR-UHFFFAOYSA-N 1 0 321.468 3.539 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000237205337 1014373710 /nfs/dbraw/zinc/37/37/10/1014373710.db2.gz QMSIXYJVAXGOHM-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c(O)c1OC ZINC000895126143 1014486164 /nfs/dbraw/zinc/48/61/64/1014486164.db2.gz VOUGFADGCSCYBW-HNNXBMFYSA-N 1 0 305.418 3.564 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000706822052 1014621710 /nfs/dbraw/zinc/62/17/10/1014621710.db2.gz WRFIIQROQZDBRZ-QIMFLAQGSA-N 1 0 310.235 3.823 20 10 DHCDRO CC(C)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000895156063 1014665208 /nfs/dbraw/zinc/66/52/08/1014665208.db2.gz RHXZOAMBXNQPGH-UHFFFAOYSA-N 1 0 304.821 3.929 20 10 DHCDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000783518215 1015046919 /nfs/dbraw/zinc/04/69/19/1015046919.db2.gz KYFHVVHABBAUHX-AWEZNQCLSA-N 1 0 314.385 3.974 20 10 DHCDRO Oc1cccc(Br)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000707129662 1015085625 /nfs/dbraw/zinc/08/56/25/1015085625.db2.gz ORWUPFJJXVHIQG-TXEJJXNPSA-N 1 0 310.235 3.777 20 10 DHCDRO Oc1cccc(Br)c1C[N@@H+]1CCc2ccccc2C1 ZINC000707157684 1015133866 /nfs/dbraw/zinc/13/38/66/1015133866.db2.gz ORWRCKHMEBTUSL-UHFFFAOYSA-N 1 0 318.214 3.713 20 10 DHCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C3CC3)ccc2OC)c1 ZINC000895539151 1015195279 /nfs/dbraw/zinc/19/52/79/1015195279.db2.gz QHBXZGDSIYGCFV-UHFFFAOYSA-N 1 0 313.397 3.577 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1O ZINC000895822088 1015316854 /nfs/dbraw/zinc/31/68/54/1015316854.db2.gz MTZUUDTXLZXILX-SFHVURJKSA-N 1 0 303.446 3.784 20 10 DHCDRO COc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)c(O)c1OC ZINC000891558230 1015388663 /nfs/dbraw/zinc/38/86/63/1015388663.db2.gz BNPHSMNDKHLCLD-INIZCTEOSA-N 1 0 313.397 3.529 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425452 1015481777 /nfs/dbraw/zinc/48/17/77/1015481777.db2.gz AATRWPWNGHSPBD-RTBURBONSA-N 1 0 322.452 3.806 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(N2CCCC2)n1 ZINC000783533707 1015488522 /nfs/dbraw/zinc/48/85/22/1015488522.db2.gz VKKBZZFAUHKXAY-OAHLLOKOSA-N 1 0 311.429 3.547 20 10 DHCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227091 1015513963 /nfs/dbraw/zinc/51/39/63/1015513963.db2.gz JWQIUHORBCZFNE-LBPRGKRZSA-N 1 0 323.717 3.912 20 10 DHCDRO C[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccccc1O ZINC000891714322 1015563157 /nfs/dbraw/zinc/56/31/57/1015563157.db2.gz WLNLZYIATIQXJU-UHFFFAOYSA-N 1 0 316.348 3.586 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)cc1C(C)C ZINC000783543911 1015789605 /nfs/dbraw/zinc/78/96/05/1015789605.db2.gz SRKPKFRQRDNQTL-UHFFFAOYSA-N 1 0 302.443 3.839 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CC(C)C ZINC000184949294 1016463118 /nfs/dbraw/zinc/46/31/18/1016463118.db2.gz DENDQUUFIZUKMD-LSDHHAIUSA-N 1 0 322.449 3.512 20 10 DHCDRO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000185036371 1016523317 /nfs/dbraw/zinc/52/33/17/1016523317.db2.gz RCJWTFGVMCBSSH-HNNXBMFYSA-N 1 0 308.441 3.694 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079774 1016545051 /nfs/dbraw/zinc/54/50/51/1016545051.db2.gz LBCACYGIKWOJOG-RDTXWAMCSA-N 1 0 316.420 3.793 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000185302003 1016834178 /nfs/dbraw/zinc/83/41/78/1016834178.db2.gz PTOOBYCRTSKGGD-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000185342164 1016859056 /nfs/dbraw/zinc/85/90/56/1016859056.db2.gz ZNIJQSFRRWMPQL-CQSZACIVSA-N 1 0 322.449 3.608 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)c1 ZINC000185566701 1017015431 /nfs/dbraw/zinc/01/54/31/1017015431.db2.gz NURZQKQGXVFRGW-VXGBXAGGSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1 ZINC000185575384 1017019116 /nfs/dbraw/zinc/01/91/16/1017019116.db2.gz CIFXDVXRSSYXOB-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)Oc1ccccc1F ZINC000185576498 1017019721 /nfs/dbraw/zinc/01/97/21/1017019721.db2.gz KRPUMXYMGIKVOP-NEPJUHHUSA-N 1 0 307.340 3.789 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2C)c1 ZINC000185575229 1017020179 /nfs/dbraw/zinc/02/01/79/1017020179.db2.gz OOAGVLHCSHBBLR-CABCVRRESA-N 1 0 315.413 3.827 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185578432 1017028635 /nfs/dbraw/zinc/02/86/35/1017028635.db2.gz JVWVIYZNTHRYAW-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772963746 1032199306 /nfs/dbraw/zinc/19/93/06/1032199306.db2.gz LKVBFUJXDCXCGA-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@H]3C)cc2)CC1 ZINC000294960564 1032226933 /nfs/dbraw/zinc/22/69/33/1032226933.db2.gz KXTYABFLRMSRRS-JKSUJKDBSA-N 1 0 302.462 3.532 20 10 DHCDRO C[C@@H]([NH2+]CCc1cscn1)c1cc2c(cc1O)CCCC2 ZINC000185817151 1017243358 /nfs/dbraw/zinc/24/33/58/1017243358.db2.gz KMHMAGAUDQPWKS-GFCCVEGCSA-N 1 0 302.443 3.621 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC(C)(C)C3)cc2)CC1 ZINC000295032352 1032249483 /nfs/dbraw/zinc/24/94/83/1032249483.db2.gz NEXABNZOPMLHMT-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2ccccc2c1O ZINC000185652405 1017079919 /nfs/dbraw/zinc/07/99/19/1017079919.db2.gz AKZNWZBZBYTWRF-CRAIPNDOSA-N 1 0 321.420 3.972 20 10 DHCDRO CC[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000295098207 1032273538 /nfs/dbraw/zinc/27/35/38/1032273538.db2.gz VQLWBOZTMKWHGK-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CCC(=O)OC(C)C ZINC001172762135 1033355178 /nfs/dbraw/zinc/35/51/78/1033355178.db2.gz IHHFXTXQJIUNSG-MRXNPFEDSA-N 1 0 320.477 3.695 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCCCC2)cc1 ZINC000090454601 1032400639 /nfs/dbraw/zinc/40/06/39/1032400639.db2.gz LAHZLAQLTOVZQB-CRAIPNDOSA-N 1 0 324.472 3.608 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)CCC2 ZINC000729851304 1032600723 /nfs/dbraw/zinc/60/07/23/1032600723.db2.gz JRBIACMIKOUOCM-NRFANRHFSA-N 1 0 323.436 3.845 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1C ZINC000776958656 1032672879 /nfs/dbraw/zinc/67/28/79/1032672879.db2.gz FGCXABVPTMXMQF-KRWDZBQOSA-N 1 0 319.445 3.559 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC000050132558 1017117605 /nfs/dbraw/zinc/11/76/05/1017117605.db2.gz GIANKZFYUMCADY-UHFFFAOYSA-N 1 0 303.789 3.880 20 10 DHCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1O ZINC000897246680 1017197749 /nfs/dbraw/zinc/19/77/49/1017197749.db2.gz YCORTUCNYGWMGV-UHFFFAOYSA-N 1 0 315.413 3.570 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Br)cc1O ZINC000840858431 1017206194 /nfs/dbraw/zinc/20/61/94/1017206194.db2.gz ABEPVPQCFWKHCQ-KKZNHRDASA-N 1 0 316.264 3.699 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550953 1032698585 /nfs/dbraw/zinc/69/85/85/1032698585.db2.gz NUWGKHHGHUJIKS-GOEBONIOSA-N 1 0 306.425 3.646 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921530 1017483321 /nfs/dbraw/zinc/48/33/21/1017483321.db2.gz VEVKZOLFICSJRA-ZIAGYGMSSA-N 1 0 309.837 3.603 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000119050914 1017544200 /nfs/dbraw/zinc/54/42/00/1017544200.db2.gz RSFFVZFDPPQGAD-UHFFFAOYSA-N 1 0 323.408 3.513 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1OC(F)F ZINC000021045972 1017573648 /nfs/dbraw/zinc/57/36/48/1017573648.db2.gz JSMMJQHGMZZIEN-UHFFFAOYSA-N 1 0 313.731 3.937 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000186033655 1017649690 /nfs/dbraw/zinc/64/96/90/1017649690.db2.gz ZFMATKKPRAVLTF-ZDUSSCGKSA-N 1 0 316.470 3.929 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)C(C)C ZINC000840967081 1017677635 /nfs/dbraw/zinc/67/76/35/1017677635.db2.gz KRAYEVBAQONOQJ-RBUKOAKNSA-N 1 0 304.478 3.562 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000120217412 1017719117 /nfs/dbraw/zinc/71/91/17/1017719117.db2.gz WEEATMKBKVLKNU-CJNGLKHVSA-N 1 0 303.446 3.879 20 10 DHCDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186142710 1017931091 /nfs/dbraw/zinc/93/10/91/1017931091.db2.gz ZVZWISOMFRWSIT-LSDHHAIUSA-N 1 0 308.441 3.550 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CC1(C)C ZINC000785426262 1018197155 /nfs/dbraw/zinc/19/71/55/1018197155.db2.gz LXCXYVRPMZKJSY-WMLDXEAASA-N 1 0 304.503 3.764 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000764434267 1018280745 /nfs/dbraw/zinc/28/07/45/1018280745.db2.gz WBKAZSSEZUXZNW-PFRQMTDMSA-N 1 0 316.489 3.999 20 10 DHCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544167 1032756825 /nfs/dbraw/zinc/75/68/25/1032756825.db2.gz RLYGUTZPKYMWJL-CYBMUJFWSA-N 1 0 321.342 3.799 20 10 DHCDRO CC(C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764755361 1018361226 /nfs/dbraw/zinc/36/12/26/1018361226.db2.gz PZMRQRWRGQRSLF-OAHLLOKOSA-N 1 0 308.441 3.749 20 10 DHCDRO CC[C@H](C[NH2+][C@H](CC)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000764867699 1018409802 /nfs/dbraw/zinc/40/98/02/1018409802.db2.gz CZMPEQSTBDOHCQ-IEBWSBKVSA-N 1 0 303.494 3.668 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000764883096 1018417347 /nfs/dbraw/zinc/41/73/47/1018417347.db2.gz PPWLHRBAELFWGI-IRXDYDNUSA-N 1 0 303.494 3.668 20 10 DHCDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000765119200 1018477596 /nfs/dbraw/zinc/47/75/96/1018477596.db2.gz TUKIUQNHHZDQRW-KFWWJZLASA-N 1 0 308.441 3.573 20 10 DHCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000765119201 1018478498 /nfs/dbraw/zinc/47/84/98/1018478498.db2.gz TUKIUQNHHZDQRW-QLFBSQMISA-N 1 0 308.441 3.573 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000858100520 1032767506 /nfs/dbraw/zinc/76/75/06/1032767506.db2.gz IXSGCQJYYNRCLH-UHFFFAOYSA-N 1 0 308.429 3.699 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858108298 1032768895 /nfs/dbraw/zinc/76/88/95/1032768895.db2.gz BMWSCBNBSXJRCJ-VZJWBNGJSA-N 1 0 314.473 3.608 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000278477322 1018728490 /nfs/dbraw/zinc/72/84/90/1018728490.db2.gz OLINLMZVMANTQI-ZDUSSCGKSA-N 1 0 312.413 3.525 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000765255432 1018736434 /nfs/dbraw/zinc/73/64/34/1018736434.db2.gz QLJCSGIMMVXGKX-IAGOWNOFSA-N 1 0 303.494 3.668 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000765254572 1018738109 /nfs/dbraw/zinc/73/81/09/1018738109.db2.gz NNQCJOUBSUOJEN-QFBILLFUSA-N 1 0 303.494 3.668 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@H]1CCCS1 ZINC000715681570 1018741907 /nfs/dbraw/zinc/74/19/07/1018741907.db2.gz VHKIOXVIHVIUOJ-GFCCVEGCSA-N 1 0 316.264 3.530 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765303383 1018748654 /nfs/dbraw/zinc/74/86/54/1018748654.db2.gz ZZTICWCCMSQGKH-IXDOHACOSA-N 1 0 303.494 3.524 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765423945 1018780586 /nfs/dbraw/zinc/78/05/86/1018780586.db2.gz KIKZRBIUUJRMNN-DOMZBBRYSA-N 1 0 318.383 3.761 20 10 DHCDRO Oc1cccc(Br)c1C[NH+]1CCC(C(F)F)CC1 ZINC000707129763 1018784091 /nfs/dbraw/zinc/78/40/91/1018784091.db2.gz RXPRMXRWLVBPMV-UHFFFAOYSA-N 1 0 320.177 3.632 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCC2(F)F)cc1F ZINC000858173315 1032788693 /nfs/dbraw/zinc/78/86/93/1032788693.db2.gz ZWMKENKNEGJGMM-NSHDSACASA-N 1 0 304.331 3.556 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CO)cc2)c1O ZINC000842892303 1018831825 /nfs/dbraw/zinc/83/18/25/1018831825.db2.gz AYRKPRZSCRAXMX-LBPRGKRZSA-N 1 0 305.805 3.697 20 10 DHCDRO CCOC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091676564 1018885569 /nfs/dbraw/zinc/88/55/69/1018885569.db2.gz SQAPFHJLUBXLBE-UHFFFAOYSA-N 1 0 302.462 3.678 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]CC1CCC(F)CC1 ZINC000858184071 1032792967 /nfs/dbraw/zinc/79/29/67/1032792967.db2.gz IHAIZLPWYBDDLA-UHFFFAOYSA-N 1 0 316.214 3.773 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765936845 1018910616 /nfs/dbraw/zinc/91/06/16/1018910616.db2.gz UBUDLJNQPLHVSI-LIRRHRJNSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765937955 1018914846 /nfs/dbraw/zinc/91/48/46/1018914846.db2.gz YFSSDWSGMAXYHN-OXJNMPFZSA-N 1 0 316.489 3.879 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC000858186891 1032795401 /nfs/dbraw/zinc/79/54/01/1032795401.db2.gz OFPLMSSOYKNLJP-QGZVFWFLSA-N 1 0 321.424 3.545 20 10 DHCDRO Cc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)CC2CC2)cn1 ZINC000765583436 1018958251 /nfs/dbraw/zinc/95/82/51/1018958251.db2.gz LQJONHLUPILSQV-UHFFFAOYSA-N 1 0 309.457 3.868 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000765610958 1019000466 /nfs/dbraw/zinc/00/04/66/1019000466.db2.gz ZLUCVXKLQPOIRF-LBPRGKRZSA-N 1 0 301.361 3.620 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000765678845 1019036120 /nfs/dbraw/zinc/03/61/20/1019036120.db2.gz BEPHIDKOKUKXCD-HNAYVOBHSA-N 1 0 304.478 3.735 20 10 DHCDRO CSCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134922254 1019053230 /nfs/dbraw/zinc/05/32/30/1019053230.db2.gz MWKXSEMGGCLOFZ-SECBINFHSA-N 1 0 304.253 3.558 20 10 DHCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169089802 1019060743 /nfs/dbraw/zinc/06/07/43/1019060743.db2.gz IQLACIYJHNLYLB-SNVBAGLBSA-N 1 0 303.855 3.676 20 10 DHCDRO CC1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000785481664 1019064194 /nfs/dbraw/zinc/06/41/94/1019064194.db2.gz ATTJLDSLQKZXHQ-CYBMUJFWSA-N 1 0 310.388 3.647 20 10 DHCDRO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278730939 1019104696 /nfs/dbraw/zinc/10/46/96/1019104696.db2.gz MTZBBBMPUVBBKB-SECBINFHSA-N 1 0 320.216 3.503 20 10 DHCDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765955479 1019114909 /nfs/dbraw/zinc/11/49/09/1019114909.db2.gz WFKQBQPJUVWXHY-BEFAXECRSA-N 1 0 322.468 3.874 20 10 DHCDRO CCOc1cccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1O ZINC000858242564 1032811650 /nfs/dbraw/zinc/81/16/50/1032811650.db2.gz XBMMWIJRKXIAMD-UHFFFAOYSA-N 1 0 314.429 3.562 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1OC(C)C ZINC000858238074 1032812374 /nfs/dbraw/zinc/81/23/74/1032812374.db2.gz TYDVBASXZOUQIT-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO CCOc1cccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1O ZINC000076904599 1019191845 /nfs/dbraw/zinc/19/18/45/1019191845.db2.gz REZFWNUPFVXWPL-UHFFFAOYSA-N 1 0 320.458 3.889 20 10 DHCDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921992120 1019275929 /nfs/dbraw/zinc/27/59/29/1019275929.db2.gz ZCYHGLDLZLGIAA-LBPRGKRZSA-N 1 0 302.443 3.670 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C(F)(F)CC)c1 ZINC000858270403 1032825074 /nfs/dbraw/zinc/82/50/74/1032825074.db2.gz AFKRIJSCVFBNAW-UHFFFAOYSA-N 1 0 301.377 3.952 20 10 DHCDRO CCCCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000322418023 1019338369 /nfs/dbraw/zinc/33/83/69/1019338369.db2.gz YCWMCYLIXKAVQR-UHFFFAOYSA-N 1 0 308.425 3.779 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143103340 1019359159 /nfs/dbraw/zinc/35/91/59/1019359159.db2.gz AMGNUBVMWZKRNJ-LIRRHRJNSA-N 1 0 305.462 3.673 20 10 DHCDRO CCN(CC[NH+]1CCCC1)Cc1cccc(C(C)(C)C)c1O ZINC001143110542 1019396269 /nfs/dbraw/zinc/39/62/69/1019396269.db2.gz IQGWKTIXALCWMB-UHFFFAOYSA-N 1 0 304.478 3.607 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000186183525 1019464139 /nfs/dbraw/zinc/46/41/39/1019464139.db2.gz NIANBZKSLJGIGX-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000858308187 1032837754 /nfs/dbraw/zinc/83/77/54/1032837754.db2.gz SVMIXXYPZVXFHH-UHFFFAOYSA-N 1 0 303.324 3.613 20 10 DHCDRO CCn1cncc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858295076 1032834409 /nfs/dbraw/zinc/83/44/09/1032834409.db2.gz UWVFSMPQNSMAHB-UHFFFAOYSA-N 1 0 308.429 3.600 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000922150313 1019533177 /nfs/dbraw/zinc/53/31/77/1019533177.db2.gz RAXHYTPVXJGBRQ-ZDUSSCGKSA-N 1 0 312.369 3.771 20 10 DHCDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922155704 1019556006 /nfs/dbraw/zinc/55/60/06/1019556006.db2.gz BFCSNZMJMWNCEE-UHFFFAOYSA-N 1 0 322.330 3.715 20 10 DHCDRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727463174 1019715926 /nfs/dbraw/zinc/71/59/26/1019715926.db2.gz FAOYXWSTOYDHBJ-MRXNPFEDSA-N 1 0 322.468 3.968 20 10 DHCDRO C[C@H]1CN(c2ccc(C[NH2+]CC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000727466984 1019718606 /nfs/dbraw/zinc/71/86/06/1019718606.db2.gz KTLJAGBXPCGGJW-KBPBESRZSA-N 1 0 308.441 3.575 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000766188683 1019752308 /nfs/dbraw/zinc/75/23/08/1019752308.db2.gz TUQGVCCHUCVUAE-FCGDIQPGSA-N 1 0 316.489 3.997 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000186515623 1019779706 /nfs/dbraw/zinc/77/97/06/1019779706.db2.gz JJYWLOUURKABSS-PBHICJAKSA-N 1 0 303.446 3.881 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000727838690 1019816780 /nfs/dbraw/zinc/81/67/80/1019816780.db2.gz QOCGWMZXORZSHE-IBGZPJMESA-N 1 0 304.478 3.564 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1O ZINC000926936743 1032857039 /nfs/dbraw/zinc/85/70/39/1032857039.db2.gz MJELBKCAALAJIY-CQJJVWNLSA-N 1 0 307.821 3.677 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2nccnc2c1 ZINC001137091156 1032858322 /nfs/dbraw/zinc/85/83/22/1032858322.db2.gz NTLFWPLMLHAKBM-UHFFFAOYSA-N 1 0 320.440 3.718 20 10 DHCDRO CCC[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CCCCO1 ZINC000730256022 1019969761 /nfs/dbraw/zinc/96/97/61/1019969761.db2.gz QRYCSLXZYOWERJ-INIZCTEOSA-N 1 0 314.429 3.722 20 10 DHCDRO Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1Cl ZINC000922328832 1020006712 /nfs/dbraw/zinc/00/67/12/1020006712.db2.gz SVNKMQWFHHSWEZ-UHFFFAOYSA-N 1 0 303.789 3.660 20 10 DHCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(Cl)n1 ZINC000922333630 1020013504 /nfs/dbraw/zinc/01/35/04/1020013504.db2.gz UFACECVNJQOVPA-UHFFFAOYSA-N 1 0 302.805 3.658 20 10 DHCDRO CCOCC[N@H+](CC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000730801898 1020027448 /nfs/dbraw/zinc/02/74/48/1020027448.db2.gz RGMMUTIOWPCXND-UHFFFAOYSA-N 1 0 317.429 3.876 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNc2cccc(F)c2)c1 ZINC000186543006 1020122857 /nfs/dbraw/zinc/12/28/57/1020122857.db2.gz BDUJBEAMMCHVQK-ZDUSSCGKSA-N 1 0 318.392 3.693 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000309895301 1020177247 /nfs/dbraw/zinc/17/72/47/1020177247.db2.gz PXQLETBHSOVGKJ-YLJYHZDGSA-N 1 0 323.484 3.678 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)cc1C ZINC000732187503 1020206781 /nfs/dbraw/zinc/20/67/81/1020206781.db2.gz OERNBMDOHRBVEE-GOSISDBHSA-N 1 0 324.468 3.715 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1C ZINC000922679129 1020212195 /nfs/dbraw/zinc/21/21/95/1020212195.db2.gz HHXLKJVBHWMNJT-HIFRSBDPSA-N 1 0 317.351 3.599 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(OC)n2)cc1 ZINC000733026187 1020315795 /nfs/dbraw/zinc/31/57/95/1020315795.db2.gz GVIIEBGGLDWKQM-UHFFFAOYSA-N 1 0 313.445 3.568 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CC3(C)C)CC2)cc1 ZINC000785447137 1020404981 /nfs/dbraw/zinc/40/49/81/1020404981.db2.gz XPSVNKDFUPGFMI-RDTXWAMCSA-N 1 0 302.462 3.688 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000186832380 1020498099 /nfs/dbraw/zinc/49/80/99/1020498099.db2.gz FSIFYELISIPIRC-OWQGQXMQSA-N 1 0 307.434 3.645 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccccc1OC ZINC000378893530 1020520862 /nfs/dbraw/zinc/52/08/62/1020520862.db2.gz MMDZLZSCFXQNQL-INIZCTEOSA-N 1 0 301.386 3.650 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccccc1OC ZINC000378893531 1020521736 /nfs/dbraw/zinc/52/17/36/1020521736.db2.gz MMDZLZSCFXQNQL-MRXNPFEDSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000378879923 1020522932 /nfs/dbraw/zinc/52/29/32/1020522932.db2.gz FLICZBIBHRSFCU-CYBMUJFWSA-N 1 0 302.393 3.751 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042298 1020552182 /nfs/dbraw/zinc/55/21/82/1020552182.db2.gz GOCFPQQRNDRDCC-QUCCMNQESA-N 1 0 324.472 3.969 20 10 DHCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CCO)c1ccco1 ZINC001116643931 1020596287 /nfs/dbraw/zinc/59/62/87/1020596287.db2.gz WCJOHJNODTXBIG-HZSPNIEDSA-N 1 0 301.386 3.555 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1O ZINC001116648557 1020602917 /nfs/dbraw/zinc/60/29/17/1020602917.db2.gz YIHLKMCIMQUOBD-MEBBXXQBSA-N 1 0 307.825 3.889 20 10 DHCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000164242649 1020645791 /nfs/dbraw/zinc/64/57/91/1020645791.db2.gz YQZKJVSXBMVNGJ-UHFFFAOYSA-N 1 0 303.446 3.933 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000177931217 1020859549 /nfs/dbraw/zinc/85/95/49/1020859549.db2.gz VEOAKZRVGKKJCF-FUHWJXTLSA-N 1 0 302.462 3.897 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1C(C)C ZINC000738104328 1020862101 /nfs/dbraw/zinc/86/21/01/1020862101.db2.gz KZNCRXGAVXXUBM-SFHVURJKSA-N 1 0 316.489 3.884 20 10 DHCDRO CCc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000738146128 1020863552 /nfs/dbraw/zinc/86/35/52/1020863552.db2.gz XQAOPIMKIQKTPM-KRWDZBQOSA-N 1 0 318.505 3.778 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541797 1032937783 /nfs/dbraw/zinc/93/77/83/1032937783.db2.gz DGVVREHSZZEVKR-HNNXBMFYSA-N 1 0 322.456 3.987 20 10 DHCDRO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766237783 1020898886 /nfs/dbraw/zinc/89/88/86/1020898886.db2.gz NBRKYGHLZSNRDQ-KGLIPLIRSA-N 1 0 312.404 3.891 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C)cc1F ZINC000740006350 1020923291 /nfs/dbraw/zinc/92/32/91/1020923291.db2.gz KPBDJBUNIBPGHG-OAHLLOKOSA-N 1 0 310.457 3.559 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000858544102 1032941856 /nfs/dbraw/zinc/94/18/56/1032941856.db2.gz YPHOZBCZNIWOGK-INIZCTEOSA-N 1 0 322.456 3.987 20 10 DHCDRO CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001171940345 1032946621 /nfs/dbraw/zinc/94/66/21/1032946621.db2.gz RELZPIYRYOULMZ-WRSVWVKZSA-N 1 0 305.418 3.555 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(O)cc(F)c1 ZINC000924648012 1032948815 /nfs/dbraw/zinc/94/88/15/1032948815.db2.gz KDZRLRARJBAQKF-CQSZACIVSA-N 1 0 314.404 3.982 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1cccc(Cl)c1 ZINC000742380939 1021108984 /nfs/dbraw/zinc/10/89/84/1021108984.db2.gz SYDAHDBGKVNLGI-ZDUSSCGKSA-N 1 0 317.816 3.832 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2c(C)cccc2F)ccc1OC ZINC000742380526 1021108991 /nfs/dbraw/zinc/10/89/91/1021108991.db2.gz NJRJWKDSZVCRAS-UHFFFAOYSA-N 1 0 317.404 3.969 20 10 DHCDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000742371361 1021113096 /nfs/dbraw/zinc/11/30/96/1021113096.db2.gz SJAOVSXLSLNENN-KBRIMQKVSA-N 1 0 322.880 3.788 20 10 DHCDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1 ZINC000742377060 1021114124 /nfs/dbraw/zinc/11/41/24/1021114124.db2.gz GOVPNTHUHLRYNJ-QGZVFWFLSA-N 1 0 305.805 3.831 20 10 DHCDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000742378801 1021115260 /nfs/dbraw/zinc/11/52/60/1021115260.db2.gz BHETYGGUDVACAM-ZDUSSCGKSA-N 1 0 305.805 3.911 20 10 DHCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742709226 1021148603 /nfs/dbraw/zinc/14/86/03/1021148603.db2.gz AFBHBHFZQQMMCI-INIZCTEOSA-N 1 0 313.441 3.948 20 10 DHCDRO CCCC[N@H+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743271607 1021253000 /nfs/dbraw/zinc/25/30/00/1021253000.db2.gz GOAZIXALCRAKOJ-UHFFFAOYSA-N 1 0 304.478 3.924 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428769 1021264571 /nfs/dbraw/zinc/26/45/71/1021264571.db2.gz XKNSMJPPPRAJBV-QWHCGFSZSA-N 1 0 315.413 3.626 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000743402690 1021285032 /nfs/dbraw/zinc/28/50/32/1021285032.db2.gz MIFWJIMBUMZHCX-IBGZPJMESA-N 1 0 320.392 3.514 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(Cl)n2)C2CC2)cc1 ZINC000743841185 1021368044 /nfs/dbraw/zinc/36/80/44/1021368044.db2.gz HKNAQUXYYZUABT-UHFFFAOYSA-N 1 0 315.848 3.966 20 10 DHCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154544048 1021377398 /nfs/dbraw/zinc/37/73/98/1021377398.db2.gz WDPYYKZNLNMCHB-APWZRJJASA-N 1 0 304.478 3.879 20 10 DHCDRO COc1cc(C[NH2+]CCCOC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850008419 1021393952 /nfs/dbraw/zinc/39/39/52/1021393952.db2.gz WSMXKMXNEOTUQD-UHFFFAOYSA-N 1 0 309.450 3.603 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cccc(Cl)c1 ZINC000743870484 1021399331 /nfs/dbraw/zinc/39/93/31/1021399331.db2.gz TWJAZKBBTYHMGS-GOSISDBHSA-N 1 0 319.832 3.991 20 10 DHCDRO COCCCCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850098920 1021421063 /nfs/dbraw/zinc/42/10/63/1021421063.db2.gz AKBYRYIEGIWPHG-UHFFFAOYSA-N 1 0 309.450 3.605 20 10 DHCDRO COc1cc(C[NH2+]CC[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850241400 1021452022 /nfs/dbraw/zinc/45/20/22/1021452022.db2.gz DYZGBFNVAWOZHN-OAHLLOKOSA-N 1 0 321.461 3.747 20 10 DHCDRO COCc1csc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000850252626 1021456632 /nfs/dbraw/zinc/45/66/32/1021456632.db2.gz URYSHLMYPXLBDJ-CYBMUJFWSA-N 1 0 304.459 3.811 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000877812299 1033464491 /nfs/dbraw/zinc/46/44/91/1033464491.db2.gz LYWDDJNHWYICFF-CQSZACIVSA-N 1 0 303.324 3.565 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CCS[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850340666 1021479516 /nfs/dbraw/zinc/47/95/16/1021479516.db2.gz YGXIADWKHPYFBI-NHYWBVRUSA-N 1 0 309.475 3.682 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000324918311 1021479552 /nfs/dbraw/zinc/47/95/52/1021479552.db2.gz KUTMMDKNOPUAHX-IBGZPJMESA-N 1 0 302.462 3.582 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1 ZINC000850355781 1021483044 /nfs/dbraw/zinc/48/30/44/1021483044.db2.gz KLYRHRGNKYOFGX-UHFFFAOYSA-N 1 0 305.425 3.633 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)COc2c(F)cccc2F)c1 ZINC000850366722 1021490777 /nfs/dbraw/zinc/49/07/77/1021490777.db2.gz GKMSLWWYCAAGKV-LBPRGKRZSA-N 1 0 307.340 3.536 20 10 DHCDRO COCc1csc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000850377438 1021499346 /nfs/dbraw/zinc/49/93/46/1021499346.db2.gz HHNPHESXKDUWHX-PLNGDYQASA-N 1 0 316.470 3.764 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)c(C(F)(F)F)c1 ZINC000850379252 1021499587 /nfs/dbraw/zinc/49/95/87/1021499587.db2.gz JBKSYYJWIQNBPX-CYBMUJFWSA-N 1 0 322.321 3.906 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC2SCCS2)cc1 ZINC000850407465 1021513376 /nfs/dbraw/zinc/51/33/76/1021513376.db2.gz JGKJBQJPZYQUMY-ARJAWSKDSA-N 1 0 308.516 3.552 20 10 DHCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406445 1021513963 /nfs/dbraw/zinc/51/39/63/1021513963.db2.gz GXJZQRPNPRTEOB-FUHWJXTLSA-N 1 0 316.489 3.564 20 10 DHCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccc(Cl)cc1 ZINC000850414395 1021519414 /nfs/dbraw/zinc/51/94/14/1021519414.db2.gz ZRGLPYRRBZRZHR-QZTJIDSGSA-N 1 0 319.832 3.893 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420619 1021522906 /nfs/dbraw/zinc/52/29/06/1021522906.db2.gz PXYMFRILTRHXQJ-LAUBAEHRSA-N 1 0 324.468 3.889 20 10 DHCDRO COC1CC(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000850482666 1021557757 /nfs/dbraw/zinc/55/77/57/1021557757.db2.gz QOJSATZVDHCIQB-TUBUQKNSSA-N 1 0 303.446 3.737 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000850486150 1021558761 /nfs/dbraw/zinc/55/87/61/1021558761.db2.gz GWJOWDKKGPFLCW-CRAIPNDOSA-N 1 0 300.446 3.586 20 10 DHCDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000850505131 1021566223 /nfs/dbraw/zinc/56/62/23/1021566223.db2.gz NOILVSPKXKMVJH-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840892520 1021575765 /nfs/dbraw/zinc/57/57/65/1021575765.db2.gz ACIVYQWLNIGECR-KVSKMBFKSA-N 1 0 304.478 3.539 20 10 DHCDRO C[C@H]([NH2+]CCCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000850536788 1021590490 /nfs/dbraw/zinc/59/04/90/1021590490.db2.gz NNZSCQWMWFNKNW-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850537848 1021593603 /nfs/dbraw/zinc/59/36/03/1021593603.db2.gz AHIINZNXBPAPJM-YJBOKZPZSA-N 1 0 302.462 3.840 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000850544353 1021596040 /nfs/dbraw/zinc/59/60/40/1021596040.db2.gz GERUTXRHLJMRTK-AEFFLSMTSA-N 1 0 316.489 3.736 20 10 DHCDRO CCCc1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000182317006 1021599053 /nfs/dbraw/zinc/59/90/53/1021599053.db2.gz NWCDLJABLLUWOT-NSHDSACASA-N 1 0 306.431 3.661 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850557931 1021604042 /nfs/dbraw/zinc/60/40/42/1021604042.db2.gz ONAGEMLHCSHBDG-AUUYWEPGSA-N 1 0 320.452 3.748 20 10 DHCDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565843 1021609010 /nfs/dbraw/zinc/60/90/10/1021609010.db2.gz IGWACHGDJJUIBC-AEFFLSMTSA-N 1 0 318.505 3.952 20 10 DHCDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565102 1021609096 /nfs/dbraw/zinc/60/90/96/1021609096.db2.gz ACMDARJIPVQZNA-KRWDZBQOSA-N 1 0 324.468 3.807 20 10 DHCDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566495 1021610738 /nfs/dbraw/zinc/61/07/38/1021610738.db2.gz OEZDRNBKZQHYIE-OXQOHEQNSA-N 1 0 318.505 3.952 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000850568146 1021611127 /nfs/dbraw/zinc/61/11/27/1021611127.db2.gz QGEOEMIUYLGRRU-HXUWFJFHSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000850570177 1021612610 /nfs/dbraw/zinc/61/26/10/1021612610.db2.gz FERGMXSNRUCVPZ-CJNGLKHVSA-N 1 0 303.446 3.737 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1F ZINC000763521166 1021613076 /nfs/dbraw/zinc/61/30/76/1021613076.db2.gz LBYKGNWDTLILMZ-CYBMUJFWSA-N 1 0 300.368 3.949 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@@H]2CCCC[C@H]2C)c1 ZINC000182446647 1021655816 /nfs/dbraw/zinc/65/58/16/1021655816.db2.gz STZZRELZKINYMN-QWQRMKEZSA-N 1 0 307.434 3.647 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776496674 1021664374 /nfs/dbraw/zinc/66/43/74/1021664374.db2.gz BMPXJTANNLSUNY-IFXJQAMLSA-N 1 0 316.420 3.758 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000776498575 1021677790 /nfs/dbraw/zinc/67/77/90/1021677790.db2.gz OGJLXNVWECNNGR-SCLBCKFNSA-N 1 0 303.377 3.706 20 10 DHCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000763531137 1021685298 /nfs/dbraw/zinc/68/52/98/1021685298.db2.gz OAFPVPCOBZSOER-PKOBYXMFSA-N 1 0 316.489 3.970 20 10 DHCDRO COc1ccc(O)c(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000182487315 1021687624 /nfs/dbraw/zinc/68/76/24/1021687624.db2.gz BQYGAGOVGLCLTI-UHFFFAOYSA-N 1 0 317.351 3.859 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000919954223 1021984524 /nfs/dbraw/zinc/98/45/24/1021984524.db2.gz NTRACXYFPYOXNM-GOSISDBHSA-N 1 0 305.381 3.673 20 10 DHCDRO Cc1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)o1 ZINC000851771849 1021995389 /nfs/dbraw/zinc/99/53/89/1021995389.db2.gz QFGGGUVQUZFKKK-UHFFFAOYSA-N 1 0 300.402 3.942 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000122749214 1022033973 /nfs/dbraw/zinc/03/39/73/1022033973.db2.gz MJMXMKSANZNSSA-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766384004 1022083205 /nfs/dbraw/zinc/08/32/05/1022083205.db2.gz VDZKUCNJXYFNOQ-ZWKOTPCHSA-N 1 0 315.505 3.669 20 10 DHCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)c1cccc(O)c1 ZINC000179770842 1022084095 /nfs/dbraw/zinc/08/40/95/1022084095.db2.gz MUCQKRZNKWCYQV-CYBMUJFWSA-N 1 0 301.386 3.690 20 10 DHCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766384000 1022084327 /nfs/dbraw/zinc/08/43/27/1022084327.db2.gz VDZKUCNJXYFNOQ-QZTJIDSGSA-N 1 0 315.505 3.669 20 10 DHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccco3)CC2)c1O ZINC000852325158 1022105701 /nfs/dbraw/zinc/10/57/01/1022105701.db2.gz YMFMTHANESSZDI-UHFFFAOYSA-N 1 0 317.360 3.707 20 10 DHCDRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000183537297 1022176237 /nfs/dbraw/zinc/17/62/37/1022176237.db2.gz DBAHMAUQMYRGLX-AWEZNQCLSA-N 1 0 307.434 3.945 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(-n2cccn2)c1 ZINC000183539296 1022180805 /nfs/dbraw/zinc/18/08/05/1022180805.db2.gz WEAZPRMKYMHTBO-HUUCEWRRSA-N 1 0 307.397 3.990 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853093713 1022219691 /nfs/dbraw/zinc/21/96/91/1022219691.db2.gz JMORKOAARZYWKQ-KRWDZBQOSA-N 1 0 319.408 3.663 20 10 DHCDRO C[C@H]([NH2+]CCOCCF)c1ccc(N2CCCCCC2)cc1 ZINC000853238302 1022239699 /nfs/dbraw/zinc/23/96/99/1022239699.db2.gz FMWDPWMBQXLISU-INIZCTEOSA-N 1 0 308.441 3.704 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586615 1022296401 /nfs/dbraw/zinc/29/64/01/1022296401.db2.gz VCNLZHICIVBWCP-DZGCQCFKSA-N 1 0 323.392 3.760 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631262 1022300010 /nfs/dbraw/zinc/30/00/10/1022300010.db2.gz UQQOLVZOYMFBEF-XIKOKIGWSA-N 1 0 321.367 3.790 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000363857612 1022343682 /nfs/dbraw/zinc/34/36/82/1022343682.db2.gz DAFZTYWJRPVLFD-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC001169463868 1022422514 /nfs/dbraw/zinc/42/25/14/1022422514.db2.gz WTFCXAWUXVRHMK-YJBOKZPZSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@@H](CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237573584 1022447124 /nfs/dbraw/zinc/44/71/24/1022447124.db2.gz LNZXAKYDOKDXSC-ZDUSSCGKSA-N 1 0 307.478 3.848 20 10 DHCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000237653844 1022477515 /nfs/dbraw/zinc/47/75/15/1022477515.db2.gz FCORJUBPUXBSKT-NRFANRHFSA-N 1 0 324.468 3.674 20 10 DHCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237662157 1022491260 /nfs/dbraw/zinc/49/12/60/1022491260.db2.gz YMBDBJWLORLMNQ-GOSISDBHSA-N 1 0 315.505 3.641 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1 ZINC000185576079 1022503927 /nfs/dbraw/zinc/50/39/27/1022503927.db2.gz VTTPWEFYYFNCEV-ZIAGYGMSSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c(OC)c1 ZINC000273306095 1022534352 /nfs/dbraw/zinc/53/43/52/1022534352.db2.gz CWJBWSITBBSDJK-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000877828045 1033476586 /nfs/dbraw/zinc/47/65/86/1033476586.db2.gz DOKDYZZJANCYSO-SECBINFHSA-N 1 0 314.282 3.796 20 10 DHCDRO CN(c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180008066 1022603744 /nfs/dbraw/zinc/60/37/44/1022603744.db2.gz RSBMBWWJNUIFRI-UHFFFAOYSA-N 1 0 314.404 3.632 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000186832328 1022603797 /nfs/dbraw/zinc/60/37/97/1022603797.db2.gz FSIFYELISIPIRC-FDQGKXFDSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC(F)F ZINC000113318568 1022628538 /nfs/dbraw/zinc/62/85/38/1022628538.db2.gz QEDPPVIEEJDLOQ-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO Cc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1O ZINC000180242645 1022671901 /nfs/dbraw/zinc/67/19/01/1022671901.db2.gz UNTBENZDZFCWBJ-LJQANCHMSA-N 1 0 311.425 3.573 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCS1 ZINC000691440208 1022694171 /nfs/dbraw/zinc/69/41/71/1022694171.db2.gz OCUJOKMTMQEAGX-ZDUSSCGKSA-N 1 0 316.264 3.530 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000767428093 1022715662 /nfs/dbraw/zinc/71/56/62/1022715662.db2.gz ZUHSOLILZLVWIE-UHFFFAOYSA-N 1 0 314.477 3.738 20 10 DHCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527899 1033083091 /nfs/dbraw/zinc/08/30/91/1033083091.db2.gz MRDDYJXTHSTPSL-UHFFFAOYSA-N 1 0 324.468 3.670 20 10 DHCDRO CC[C@@H]([NH2+]CCSC)c1cc(Br)ccc1O ZINC000068994276 1022854189 /nfs/dbraw/zinc/85/41/89/1022854189.db2.gz YCRCWFBRVUFKIU-LLVKDONJSA-N 1 0 304.253 3.558 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000767988405 1022856090 /nfs/dbraw/zinc/85/60/90/1022856090.db2.gz FOHHUUIPFKVKEB-UHFFFAOYSA-N 1 0 308.356 3.638 20 10 DHCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000768142117 1022892213 /nfs/dbraw/zinc/89/22/13/1022892213.db2.gz HPCQPGBDYHWURI-UHFFFAOYSA-N 1 0 324.468 3.671 20 10 DHCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000768159390 1022906531 /nfs/dbraw/zinc/90/65/31/1022906531.db2.gz DPBUKVDKTPWOAH-UHFFFAOYSA-N 1 0 305.805 3.694 20 10 DHCDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768159359 1022907850 /nfs/dbraw/zinc/90/78/50/1022907850.db2.gz BRZAEARLGQEEJO-UHFFFAOYSA-N 1 0 324.468 3.935 20 10 DHCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000768204280 1022915980 /nfs/dbraw/zinc/91/59/80/1022915980.db2.gz WFIOYQNEMDLGCC-UHFFFAOYSA-N 1 0 324.468 3.772 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccccc1Cl ZINC000768211685 1022916026 /nfs/dbraw/zinc/91/60/26/1022916026.db2.gz CJSXROHAYFTUPM-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCCC1 ZINC000768215062 1022926764 /nfs/dbraw/zinc/92/67/64/1022926764.db2.gz WDUWXCYVIZVWHO-UHFFFAOYSA-N 1 0 320.452 3.817 20 10 DHCDRO O=[N+]([O-])c1cc(C[NH+]2C3CCC2CC3)ccc1N1CCCCC1 ZINC000768227712 1022927493 /nfs/dbraw/zinc/92/74/93/1022927493.db2.gz GYCZIRGEXYLVOV-UHFFFAOYSA-N 1 0 315.417 3.712 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c(O)c1 ZINC000768235874 1022931039 /nfs/dbraw/zinc/93/10/39/1022931039.db2.gz AJWHWLJIRUSXSA-AWEZNQCLSA-N 1 0 315.413 3.993 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CO ZINC000857061282 1022941200 /nfs/dbraw/zinc/94/12/00/1022941200.db2.gz NNNZKCDVUUCCDL-BEFAXECRSA-N 1 0 311.425 3.510 20 10 DHCDRO CCO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000859189642 1033094079 /nfs/dbraw/zinc/09/40/79/1033094079.db2.gz BBZOPQQZOUWCLR-IBGZPJMESA-N 1 0 315.413 3.803 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1OC ZINC000768452044 1022968518 /nfs/dbraw/zinc/96/85/18/1022968518.db2.gz NOHBLXXVDOMIGT-CQSZACIVSA-N 1 0 315.413 3.645 20 10 DHCDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444906 1022968622 /nfs/dbraw/zinc/96/86/22/1022968622.db2.gz OFPCAZBXCPWBGN-UHFFFAOYSA-N 1 0 316.489 3.577 20 10 DHCDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768465745 1022972430 /nfs/dbraw/zinc/97/24/30/1022972430.db2.gz KFHZWGVEDIXTPE-DZGCQCFKSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c(O)cc1C ZINC000768465716 1022974363 /nfs/dbraw/zinc/97/43/63/1022974363.db2.gz QTMKWPACHORGLV-UHFFFAOYSA-N 1 0 318.442 3.643 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278831195 1022992617 /nfs/dbraw/zinc/99/26/17/1022992617.db2.gz UARREXZZHFUZLW-MWODSPESSA-N 1 0 304.217 3.775 20 10 DHCDRO CC(C)CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876569823 1033094380 /nfs/dbraw/zinc/09/43/80/1033094380.db2.gz MSKQQYJKRNXDIE-UHFFFAOYSA-N 1 0 316.489 3.658 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000768771750 1023024501 /nfs/dbraw/zinc/02/45/01/1023024501.db2.gz LGTYNFIQCGQSJQ-UHFFFAOYSA-N 1 0 322.452 3.587 20 10 DHCDRO CCO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000859189643 1033095395 /nfs/dbraw/zinc/09/53/95/1033095395.db2.gz BBZOPQQZOUWCLR-LJQANCHMSA-N 1 0 315.413 3.803 20 10 DHCDRO COc1ccccc1OCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000768822415 1023037594 /nfs/dbraw/zinc/03/75/94/1023037594.db2.gz ILWVGUFZJAFZRV-UHFFFAOYSA-N 1 0 321.804 3.565 20 10 DHCDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1O ZINC000768872109 1023043949 /nfs/dbraw/zinc/04/39/49/1023043949.db2.gz CXCNVKOCLREBKN-UHFFFAOYSA-N 1 0 311.303 3.923 20 10 DHCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000768914257 1023055683 /nfs/dbraw/zinc/05/56/83/1023055683.db2.gz UPPLFUDZKMDQNX-QLFBSQMISA-N 1 0 322.880 3.883 20 10 DHCDRO CCOc1ccc(C[N@H+](Cc2ccccn2)C(C)C)c(O)c1 ZINC000768926145 1023058595 /nfs/dbraw/zinc/05/85/95/1023058595.db2.gz NJJSLJHCUVXUQU-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1O ZINC000768993020 1023066827 /nfs/dbraw/zinc/06/68/27/1023066827.db2.gz TYTSVACTNRQQON-QGZVFWFLSA-N 1 0 315.388 3.747 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000769030129 1023071019 /nfs/dbraw/zinc/07/10/19/1023071019.db2.gz PRPNISDYBNWLPP-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1O ZINC000769039564 1023074031 /nfs/dbraw/zinc/07/40/31/1023074031.db2.gz XSISOUPSYFHARR-KWOWKCNFSA-N 1 0 301.430 3.801 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000769106890 1023085760 /nfs/dbraw/zinc/08/57/60/1023085760.db2.gz RLMIDRMLSQXTSF-SFHVURJKSA-N 1 0 313.397 3.834 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756591177 1023095142 /nfs/dbraw/zinc/09/51/42/1023095142.db2.gz QCAMBQRGPMPWBO-CZUORRHYSA-N 1 0 305.462 3.719 20 10 DHCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759835361 1023096566 /nfs/dbraw/zinc/09/65/66/1023096566.db2.gz CVHIBWFSZZJCTL-CVEARBPZSA-N 1 0 311.425 3.964 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000769244335 1023107454 /nfs/dbraw/zinc/10/74/54/1023107454.db2.gz NGGOEGFIXZGBKN-RTWAWAEBSA-N 1 0 324.468 3.841 20 10 DHCDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001172372715 1033105877 /nfs/dbraw/zinc/10/58/77/1033105877.db2.gz GTKIGNGSMKRMKK-HLIPFELVSA-N 1 0 316.489 3.780 20 10 DHCDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769315717 1023119859 /nfs/dbraw/zinc/11/98/59/1023119859.db2.gz WATWUKLXVQDWOM-SFHVURJKSA-N 1 0 302.462 3.534 20 10 DHCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)O ZINC000769326689 1023123252 /nfs/dbraw/zinc/12/32/52/1023123252.db2.gz MGADWRDBXJTPNF-UHFFFAOYSA-N 1 0 304.478 3.660 20 10 DHCDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769339497 1023128703 /nfs/dbraw/zinc/12/87/03/1023128703.db2.gz QIOKKLRYCFCTCB-IRXDYDNUSA-N 1 0 316.489 3.922 20 10 DHCDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769339495 1023128925 /nfs/dbraw/zinc/12/89/25/1023128925.db2.gz QIOKKLRYCFCTCB-IAGOWNOFSA-N 1 0 316.489 3.922 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H](SCC)C2)c(O)c1 ZINC000769403958 1023141392 /nfs/dbraw/zinc/14/13/92/1023141392.db2.gz LBJFMVIHNRFKTN-MRXNPFEDSA-N 1 0 309.475 3.899 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000769422844 1023144508 /nfs/dbraw/zinc/14/45/08/1023144508.db2.gz DKTMBZVGYBDCOD-NRFANRHFSA-N 1 0 324.468 3.625 20 10 DHCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769421685 1023145287 /nfs/dbraw/zinc/14/52/87/1023145287.db2.gz CIBCDTIEJJYYGE-KRWDZBQOSA-N 1 0 322.468 3.920 20 10 DHCDRO COc1cccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)c1O ZINC000769425401 1023147062 /nfs/dbraw/zinc/14/70/62/1023147062.db2.gz PKXBSHGBFWBSJT-GFCCVEGCSA-N 1 0 301.361 3.659 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)Cn2cccn2)c(C)n1-c1ccccc1 ZINC000769490186 1023154186 /nfs/dbraw/zinc/15/41/86/1023154186.db2.gz NBPGKFPLJWMBPI-INIZCTEOSA-N 1 0 322.456 3.511 20 10 DHCDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769447370 1023155468 /nfs/dbraw/zinc/15/54/68/1023155468.db2.gz YROFLESGEPTGCY-IBGZPJMESA-N 1 0 302.462 3.535 20 10 DHCDRO CO[C@@H](C)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000769474077 1023163478 /nfs/dbraw/zinc/16/34/78/1023163478.db2.gz RMVDXEVVJLHLEZ-KRWDZBQOSA-N 1 0 304.478 3.922 20 10 DHCDRO CC(C)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769494853 1023166155 /nfs/dbraw/zinc/16/61/55/1023166155.db2.gz AQUBZYZIFVNIJS-UHFFFAOYSA-N 1 0 320.452 3.530 20 10 DHCDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000769968159 1023246477 /nfs/dbraw/zinc/24/64/77/1023246477.db2.gz MVMBENPPCWKDJG-ZDUSSCGKSA-N 1 0 304.459 3.982 20 10 DHCDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000769934704 1023249986 /nfs/dbraw/zinc/24/99/86/1023249986.db2.gz URAMCMRKEGZARG-UHFFFAOYSA-N 1 0 311.381 3.511 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000769930962 1023250210 /nfs/dbraw/zinc/25/02/10/1023250210.db2.gz RCXFMGVATDYVCE-ACJLOTCBSA-N 1 0 318.848 3.827 20 10 DHCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000769930965 1023250389 /nfs/dbraw/zinc/25/03/89/1023250389.db2.gz RCXFMGVATDYVCE-UGSOOPFHSA-N 1 0 318.848 3.827 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1F ZINC000770287024 1023291375 /nfs/dbraw/zinc/29/13/75/1023291375.db2.gz UNFSLUYLDZQNQI-FUHWJXTLSA-N 1 0 320.452 3.673 20 10 DHCDRO CCOc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c(O)c1 ZINC000770305479 1023294205 /nfs/dbraw/zinc/29/42/05/1023294205.db2.gz UAXXQVWSOQIICE-UHFFFAOYSA-N 1 0 317.351 3.955 20 10 DHCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000770354551 1023304084 /nfs/dbraw/zinc/30/40/84/1023304084.db2.gz YANOPWMZCDYFTE-QZTJIDSGSA-N 1 0 302.462 3.532 20 10 DHCDRO Oc1ccccc1C[N@H+](Cc1ccc(Cl)nn1)C1CCCC1 ZINC000876721575 1033129029 /nfs/dbraw/zinc/12/90/29/1033129029.db2.gz JOTBXNDODFABAU-UHFFFAOYSA-N 1 0 317.820 3.780 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCSc2nccs2)c(C)n1 ZINC000771391751 1023432069 /nfs/dbraw/zinc/43/20/69/1023432069.db2.gz SMFBRNFTGQTTNS-GFCCVEGCSA-N 1 0 307.488 3.988 20 10 DHCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000771869925 1023479585 /nfs/dbraw/zinc/47/95/85/1023479585.db2.gz XQHNFPCXKQFVIB-HNNXBMFYSA-N 1 0 319.445 3.526 20 10 DHCDRO COc1ccccc1/C=C\C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935173 1023489948 /nfs/dbraw/zinc/48/99/48/1023489948.db2.gz MPLQVOLXSQKYFP-CLFYSBASSA-N 1 0 310.441 3.906 20 10 DHCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000876778917 1033140157 /nfs/dbraw/zinc/14/01/57/1033140157.db2.gz RZBNAXDDRIIHML-CXAGYDPISA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(O)c1 ZINC000876771039 1033140914 /nfs/dbraw/zinc/14/09/14/1033140914.db2.gz UBBHYIPDRKTUBN-GOSISDBHSA-N 1 0 311.425 3.739 20 10 DHCDRO C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000178414396 1023588023 /nfs/dbraw/zinc/58/80/23/1023588023.db2.gz YWNAFMVLNPPCJC-GOSISDBHSA-N 1 0 315.505 3.813 20 10 DHCDRO CCOCc1cc(C[NH2+]C(C)(C)C2CCOCC2)ccc1OC ZINC000785605017 1023594254 /nfs/dbraw/zinc/59/42/54/1023594254.db2.gz AKBWYRFCSZRXKL-UHFFFAOYSA-N 1 0 321.461 3.527 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1C ZINC000786581331 1023708967 /nfs/dbraw/zinc/70/89/67/1023708967.db2.gz HNSYPOPEHYCZMC-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000786821885 1023731386 /nfs/dbraw/zinc/73/13/86/1023731386.db2.gz SWLOQXJIQXQKFG-IIBYNOLFSA-N 1 0 324.468 3.935 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000786950026 1023739457 /nfs/dbraw/zinc/73/94/57/1023739457.db2.gz NIROAQRZZHWBRX-LSDHHAIUSA-N 1 0 318.383 3.761 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000786950024 1023740336 /nfs/dbraw/zinc/74/03/36/1023740336.db2.gz NIROAQRZZHWBRX-GJZGRUSLSA-N 1 0 318.383 3.761 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCSC1 ZINC000787041881 1023752614 /nfs/dbraw/zinc/75/26/14/1023752614.db2.gz LXCSYTMJAFDXKY-CQSZACIVSA-N 1 0 303.427 3.741 20 10 DHCDRO CCc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000787151330 1023762189 /nfs/dbraw/zinc/76/21/89/1023762189.db2.gz AYOGWCKZHLEBCY-UHFFFAOYSA-N 1 0 324.468 3.718 20 10 DHCDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000787332774 1023784370 /nfs/dbraw/zinc/78/43/70/1023784370.db2.gz ORIKMIVFXHGVQJ-MRXNPFEDSA-N 1 0 305.805 3.865 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787417505 1023790784 /nfs/dbraw/zinc/79/07/84/1023790784.db2.gz OCWQLDGDGWGAGJ-CQSZACIVSA-N 1 0 300.368 3.915 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc(F)ccc1O ZINC000756779547 1023796158 /nfs/dbraw/zinc/79/61/58/1023796158.db2.gz SDHBDIPYYXJXDY-WRESQXIRSA-N 1 0 313.463 3.562 20 10 DHCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000788258749 1023866057 /nfs/dbraw/zinc/86/60/57/1023866057.db2.gz IULGUTXEGKYKLW-MAUKXSAKSA-N 1 0 314.477 3.577 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270105 1023869718 /nfs/dbraw/zinc/86/97/18/1023869718.db2.gz PFMSVQZPDWMIPU-UWJYYQICSA-N 1 0 324.468 3.668 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788506668 1023898268 /nfs/dbraw/zinc/89/82/68/1023898268.db2.gz XGSFVPYFMUZQOS-OAHLLOKOSA-N 1 0 301.821 3.578 20 10 DHCDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)cc1Cl ZINC000788531684 1023906706 /nfs/dbraw/zinc/90/67/06/1023906706.db2.gz CMBCLAFVZPPTSL-UHFFFAOYSA-N 1 0 309.743 3.843 20 10 DHCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)ccn1 ZINC000788527463 1023906844 /nfs/dbraw/zinc/90/68/44/1023906844.db2.gz VZEURSVDSYKQIW-HNNXBMFYSA-N 1 0 311.429 3.541 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1F ZINC000788593435 1023910236 /nfs/dbraw/zinc/91/02/36/1023910236.db2.gz PRUXRVHOLGFQKP-KBXCAEBGSA-N 1 0 308.441 3.719 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000788621572 1023915348 /nfs/dbraw/zinc/91/53/48/1023915348.db2.gz MEVWDWPAEZZOJF-MJXNMMHHSA-N 1 0 317.404 3.940 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c(O)c1 ZINC000788630016 1023916294 /nfs/dbraw/zinc/91/62/94/1023916294.db2.gz DRJQUJNPTBTFFB-ILXRZTDVSA-N 1 0 303.402 3.765 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c(O)c1 ZINC000788693333 1023921793 /nfs/dbraw/zinc/92/17/93/1023921793.db2.gz SFFNHEXSVAERGS-HZPDHXFCSA-N 1 0 305.462 3.848 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c(O)c1 ZINC000788777852 1023937804 /nfs/dbraw/zinc/93/78/04/1023937804.db2.gz PRHOKLMHYNUVLT-OAHLLOKOSA-N 1 0 311.425 3.837 20 10 DHCDRO CCOC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(C)C ZINC000788985743 1023959312 /nfs/dbraw/zinc/95/93/12/1023959312.db2.gz QVJVQRFWDSEQGA-KDOFPFPSSA-N 1 0 305.462 3.983 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000788989016 1023960767 /nfs/dbraw/zinc/96/07/67/1023960767.db2.gz TVZPSUAWCLQJPJ-LPHOPBHVSA-N 1 0 314.473 3.897 20 10 DHCDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278858154 1023970074 /nfs/dbraw/zinc/97/00/74/1023970074.db2.gz WBXNAEQCHZLIKR-VIFPVBQESA-N 1 0 314.216 3.555 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1F ZINC000125725504 1023969900 /nfs/dbraw/zinc/96/99/00/1023969900.db2.gz UOGZVCOJOFVCCN-UHFFFAOYSA-N 1 0 307.800 3.572 20 10 DHCDRO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)O1 ZINC000789306481 1024042686 /nfs/dbraw/zinc/04/26/86/1024042686.db2.gz OYADKLYAJXCICS-APWZRJJASA-N 1 0 302.462 3.676 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789758963 1024159309 /nfs/dbraw/zinc/15/93/09/1024159309.db2.gz VFRKGEMQHJVLBW-UHFFFAOYSA-N 1 0 303.352 3.992 20 10 DHCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000130425999 1024160815 /nfs/dbraw/zinc/16/08/15/1024160815.db2.gz RZMBLBDFBJVUPC-QAPCUYQASA-N 1 0 321.420 3.800 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268818098 1024168686 /nfs/dbraw/zinc/16/86/86/1024168686.db2.gz NDGJSVARGHVEKH-MSOLQXFVSA-N 1 0 312.461 3.604 20 10 DHCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000268827999 1024170983 /nfs/dbraw/zinc/17/09/83/1024170983.db2.gz PYXUUKOSMUJSFU-CQSZACIVSA-N 1 0 310.445 3.544 20 10 DHCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000268859819 1024182626 /nfs/dbraw/zinc/18/26/26/1024182626.db2.gz JFZZXAMKYLXSGR-OAHLLOKOSA-N 1 0 308.429 3.560 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000876963788 1033191810 /nfs/dbraw/zinc/19/18/10/1033191810.db2.gz XMCIWSIRRBORLW-UHFFFAOYSA-N 1 0 324.424 3.507 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000130643870 1024193480 /nfs/dbraw/zinc/19/34/80/1024193480.db2.gz RQMIEJFQDIZJAO-UZLBHIALSA-N 1 0 312.457 3.835 20 10 DHCDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000130657245 1024196623 /nfs/dbraw/zinc/19/66/23/1024196623.db2.gz VDBSDUXLOLOVBK-LPHOPBHVSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960250 1024204695 /nfs/dbraw/zinc/20/46/95/1024204695.db2.gz FNLZTRDQGFLKHP-JXFKEZNVSA-N 1 0 312.457 3.917 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000130862314 1024225688 /nfs/dbraw/zinc/22/56/88/1024225688.db2.gz RAJGQPDWZRYKDV-QGZVFWFLSA-N 1 0 312.413 3.722 20 10 DHCDRO CCSc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000883236428 1024308956 /nfs/dbraw/zinc/30/89/56/1024308956.db2.gz ASRXRECZYDWRES-UHFFFAOYSA-N 1 0 303.427 3.803 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790499502 1024313370 /nfs/dbraw/zinc/31/33/70/1024313370.db2.gz XJWYOZLQAOKSLQ-QAPCUYQASA-N 1 0 303.494 3.524 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(C)(C)O ZINC000790701815 1024359780 /nfs/dbraw/zinc/35/97/80/1024359780.db2.gz NVRLQAOFYZVDKA-UGSOOPFHSA-N 1 0 301.430 3.992 20 10 DHCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000883321025 1024375516 /nfs/dbraw/zinc/37/55/16/1024375516.db2.gz FRPSWWDMHUWYIF-INMHGKMJSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@H]1CCOC1 ZINC000278898611 1024383038 /nfs/dbraw/zinc/38/30/38/1024383038.db2.gz ZDHGKKKDRTUQGM-UTLUCORTSA-N 1 0 304.217 3.775 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883379582 1024411407 /nfs/dbraw/zinc/41/14/07/1024411407.db2.gz HBMKFJOFDKWZTI-OAHLLOKOSA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000790989970 1024413801 /nfs/dbraw/zinc/41/38/01/1024413801.db2.gz GXFVEPWGWZQVCX-INIZCTEOSA-N 1 0 320.440 3.789 20 10 DHCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1O ZINC000790995392 1024414056 /nfs/dbraw/zinc/41/40/56/1024414056.db2.gz OJYHFVHQQZQWGM-INIZCTEOSA-N 1 0 319.445 3.762 20 10 DHCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000270666055 1024414822 /nfs/dbraw/zinc/41/48/22/1024414822.db2.gz VAKDNKQPVMBIOZ-CKEIUWERSA-N 1 0 318.486 3.977 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883382676 1024416069 /nfs/dbraw/zinc/41/60/69/1024416069.db2.gz LCKIGINVCJEVCQ-GFCCVEGCSA-N 1 0 309.837 3.964 20 10 DHCDRO Cc1[nH+]c2cc(NCc3c(O)ccc(Cl)c3F)ccc2n1C ZINC000790980859 1024423571 /nfs/dbraw/zinc/42/35/71/1024423571.db2.gz JBWPTOBAJXSLEY-UHFFFAOYSA-N 1 0 319.767 3.992 20 10 DHCDRO [O-]c1c(Cl)cccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000317083326 1024457893 /nfs/dbraw/zinc/45/78/93/1024457893.db2.gz YJGOBKAEIPDBAJ-UHFFFAOYSA-N 1 0 320.795 3.507 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282832357 1024502699 /nfs/dbraw/zinc/50/26/99/1024502699.db2.gz BUNWNLJYMVGLHY-QGZVFWFLSA-N 1 0 318.848 3.747 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1O ZINC000132802737 1024508194 /nfs/dbraw/zinc/50/81/94/1024508194.db2.gz MUYCQLVRGSSQJJ-WMZOPIPTSA-N 1 0 310.441 3.707 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC2(OC)CCC2)cc1 ZINC000759967703 1024621565 /nfs/dbraw/zinc/62/15/65/1024621565.db2.gz ANUAKNYLRWIYLQ-INIZCTEOSA-N 1 0 304.478 3.970 20 10 DHCDRO CC[N@H+](Cc1ccco1)Cc1cc(Br)ccc1O ZINC000133364033 1024628653 /nfs/dbraw/zinc/62/86/53/1024628653.db2.gz CFEILPGQYDFGRF-UHFFFAOYSA-N 1 0 310.191 3.770 20 10 DHCDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001168152377 1024661428 /nfs/dbraw/zinc/66/14/28/1024661428.db2.gz RFKOGBKDQDWKIU-LBPRGKRZSA-N 1 0 305.805 3.515 20 10 DHCDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1O ZINC000283478640 1024672556 /nfs/dbraw/zinc/67/25/56/1024672556.db2.gz WXUOIFIAMPCVJB-SUMWQHHRSA-N 1 0 318.848 3.999 20 10 DHCDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877085332 1033233875 /nfs/dbraw/zinc/23/38/75/1033233875.db2.gz SMMFIPICCQIHJI-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000279146121 1024760981 /nfs/dbraw/zinc/76/09/81/1024760981.db2.gz SINYQTCWOOCXGF-CABCVRRESA-N 1 0 308.441 3.628 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000163369702 1024768052 /nfs/dbraw/zinc/76/80/52/1024768052.db2.gz OSTYPUCISKJJLF-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO Brc1ccsc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000112838177 1024788046 /nfs/dbraw/zinc/78/80/46/1024788046.db2.gz OQTXMBYAAAZMOW-UHFFFAOYSA-N 1 0 324.243 3.735 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(OC)c(C)c2)c1 ZINC000897417769 1024788326 /nfs/dbraw/zinc/78/83/26/1024788326.db2.gz XMUKDTGLTGRXPV-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000792986521 1024857218 /nfs/dbraw/zinc/85/72/18/1024857218.db2.gz ONFQMFHSVCYCHK-HNNXBMFYSA-N 1 0 318.383 3.532 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000134787472 1033243363 /nfs/dbraw/zinc/24/33/63/1033243363.db2.gz ANEFTEXOMBKMCO-SPGJAERMSA-N 1 0 307.821 3.654 20 10 DHCDRO C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000319953909 1024907947 /nfs/dbraw/zinc/90/79/47/1024907947.db2.gz UOZMFYZNYKPCHF-MAUKXSAKSA-N 1 0 314.477 3.715 20 10 DHCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000310251144 1024966634 /nfs/dbraw/zinc/96/66/34/1024966634.db2.gz WMISNRNNTGAWLQ-DYESRHJHSA-N 1 0 323.484 3.505 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ncccc2O)cc1 ZINC000793254513 1024968533 /nfs/dbraw/zinc/96/85/33/1024968533.db2.gz BQQOFMSPASRCIX-UHFFFAOYSA-N 1 0 313.445 3.703 20 10 DHCDRO OC[C@@H](CC1CCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000793320469 1024989402 /nfs/dbraw/zinc/98/94/02/1024989402.db2.gz DNGRMUVQQJQPCD-LJQANCHMSA-N 1 0 311.425 3.700 20 10 DHCDRO CCN(CC)c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000793335618 1024994048 /nfs/dbraw/zinc/99/40/48/1024994048.db2.gz HICCHOQWHGECRI-UHFFFAOYSA-N 1 0 315.505 3.639 20 10 DHCDRO COCCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000793330407 1024995121 /nfs/dbraw/zinc/99/51/21/1024995121.db2.gz XZYFXXLHXZSPQL-UHFFFAOYSA-N 1 0 302.462 3.726 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCc3ccccc32)c(O)c1 ZINC000320167180 1025016180 /nfs/dbraw/zinc/01/61/80/1025016180.db2.gz LZYBEBGVEBPYAQ-MRXNPFEDSA-N 1 0 310.441 3.804 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)c(O)c1 ZINC000793389612 1025031076 /nfs/dbraw/zinc/03/10/76/1025031076.db2.gz KKVMPQAMQQIZJH-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO COc1nc2ccccc2cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001137207924 1025033230 /nfs/dbraw/zinc/03/32/30/1025033230.db2.gz DAAGQGAOTHHNRE-UHFFFAOYSA-N 1 0 320.392 3.507 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000229562318 1025063417 /nfs/dbraw/zinc/06/34/17/1025063417.db2.gz VLEYADJVQGIIPI-ZYHUDNBSSA-N 1 0 316.264 3.701 20 10 DHCDRO CC[N@H+](Cc1ccnn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000279552843 1025073818 /nfs/dbraw/zinc/07/38/18/1025073818.db2.gz DOJUPNMJQZFVMD-UHFFFAOYSA-N 1 0 300.450 3.552 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(C)nn2C)cc1F ZINC000793542061 1025087139 /nfs/dbraw/zinc/08/71/39/1025087139.db2.gz PDEKNVOVGDQZRN-CQSZACIVSA-N 1 0 318.440 3.565 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1c1cccnc1 ZINC000793566318 1025104315 /nfs/dbraw/zinc/10/43/15/1025104315.db2.gz AEHPSQMKGNATOH-LJQANCHMSA-N 1 0 319.408 3.919 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1c1cccnc1 ZINC000793573408 1025126857 /nfs/dbraw/zinc/12/68/57/1025126857.db2.gz NHTDGAFRIIISON-LJQANCHMSA-N 1 0 308.425 3.859 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1O ZINC000318990455 1025128385 /nfs/dbraw/zinc/12/83/85/1025128385.db2.gz AUWTTYMAUJWOKO-LLVKDONJSA-N 1 0 316.788 3.777 20 10 DHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000793610999 1025130689 /nfs/dbraw/zinc/13/06/89/1025130689.db2.gz ZUDWCEMTUJDXPN-UHFFFAOYSA-N 1 0 324.468 3.890 20 10 DHCDRO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000134814594 1025134460 /nfs/dbraw/zinc/13/44/60/1025134460.db2.gz UNZQDHAYWYIWNC-UHFFFAOYSA-N 1 0 323.751 3.545 20 10 DHCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1O ZINC001170451572 1025298246 /nfs/dbraw/zinc/29/82/46/1025298246.db2.gz ZFBQKWNYIHKMMT-INIZCTEOSA-N 1 0 313.397 3.574 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)cc1O ZINC000279902779 1025311606 /nfs/dbraw/zinc/31/16/06/1025311606.db2.gz HERCZYIAQROITL-VHSXEESVSA-N 1 0 316.264 3.558 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464658 1025367890 /nfs/dbraw/zinc/36/78/90/1025367890.db2.gz NTDOIBKRGFCFMG-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(C)(C)C1 ZINC000877306249 1033280255 /nfs/dbraw/zinc/28/02/55/1033280255.db2.gz KPVYUKADHBSTCD-MRXNPFEDSA-N 1 0 316.489 3.516 20 10 DHCDRO CO[C@@H]1CCC[C@H]([NH2+]CCCSc2nccs2)CC1 ZINC000885992138 1025428674 /nfs/dbraw/zinc/42/86/74/1025428674.db2.gz AVGOOKGJAQKWLP-QWHCGFSZSA-N 1 0 300.493 3.563 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336917 1033285797 /nfs/dbraw/zinc/28/57/97/1033285797.db2.gz QCONKIUQJYWBKG-LPHOPBHVSA-N 1 0 315.388 3.850 20 10 DHCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877349115 1033286261 /nfs/dbraw/zinc/28/62/61/1033286261.db2.gz ZNKBWYSMILSGEE-MRXNPFEDSA-N 1 0 316.489 3.516 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1O ZINC000894014921 1025657179 /nfs/dbraw/zinc/65/71/79/1025657179.db2.gz USKXZCLQRMYLGV-GFCCVEGCSA-N 1 0 320.458 3.976 20 10 DHCDRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000321801223 1025659063 /nfs/dbraw/zinc/65/90/63/1025659063.db2.gz UELHDUFJVFXOJI-MSOLQXFVSA-N 1 0 316.489 3.829 20 10 DHCDRO Cc1cc(O)c(CN2CCC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC001207836644 1025678555 /nfs/dbraw/zinc/67/85/55/1025678555.db2.gz KMPJJUDMJPOTQN-UHFFFAOYSA-N 1 0 310.869 3.707 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c([O-])cccc1F ZINC000886535367 1025684009 /nfs/dbraw/zinc/68/40/09/1025684009.db2.gz ZHCIZTRXRXWTBZ-AWEZNQCLSA-N 1 0 320.452 3.979 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1c([O-])cccc1F ZINC000886536833 1025687441 /nfs/dbraw/zinc/68/74/41/1025687441.db2.gz PFTSKMMQZQVXQU-CYBMUJFWSA-N 1 0 306.425 3.589 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000236921437 1025738820 /nfs/dbraw/zinc/73/88/20/1025738820.db2.gz KRUUCFVCIRQDNG-HXUWFJFHSA-N 1 0 312.457 3.530 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132718 1025777466 /nfs/dbraw/zinc/77/74/66/1025777466.db2.gz YYYXNOGWZJCEAN-CZUORRHYSA-N 1 0 310.869 3.818 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806135469 1025778698 /nfs/dbraw/zinc/77/86/98/1025778698.db2.gz KPBIVDRIWCJWBI-AWEZNQCLSA-N 1 0 319.811 3.717 20 10 DHCDRO CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806128643 1025793393 /nfs/dbraw/zinc/79/33/93/1025793393.db2.gz UVJGDOSJUIPJQI-INIZCTEOSA-N 1 0 310.869 3.962 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000806132006 1025794437 /nfs/dbraw/zinc/79/44/37/1025794437.db2.gz QWLHKQGAPSQLFX-ROUUACIJSA-N 1 0 302.487 3.518 20 10 DHCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)CCC1 ZINC000759988374 1025814535 /nfs/dbraw/zinc/81/45/35/1025814535.db2.gz IRAYOQKQHPPHOF-OAHLLOKOSA-N 1 0 302.462 3.506 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000074372492 1025815256 /nfs/dbraw/zinc/81/52/56/1025815256.db2.gz JHGUZACTIXBNNA-UHFFFAOYSA-N 1 0 315.388 3.635 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180096 1025833213 /nfs/dbraw/zinc/83/32/13/1025833213.db2.gz JUIZUJDQKULYCO-RHSMWYFYSA-N 1 0 319.832 3.862 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C2CCC2)c1 ZINC000924872037 1025958870 /nfs/dbraw/zinc/95/88/70/1025958870.db2.gz QELUAJAVXOPYEI-OAHLLOKOSA-N 1 0 324.472 3.841 20 10 DHCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)C12CCCCC2 ZINC000236975774 1025961411 /nfs/dbraw/zinc/96/14/11/1025961411.db2.gz QIYKNGAEJWHXEZ-MSOLQXFVSA-N 1 0 319.445 3.618 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000248623124 1025980462 /nfs/dbraw/zinc/98/04/62/1025980462.db2.gz BIVVVKWCZQYEJN-IQUTYRLHSA-N 1 0 316.420 3.873 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000237003428 1026032415 /nfs/dbraw/zinc/03/24/15/1026032415.db2.gz CBQHXTZEKSNSLN-WGSAOQKQSA-N 1 0 318.505 3.954 20 10 DHCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894141570 1026154900 /nfs/dbraw/zinc/15/49/00/1026154900.db2.gz UMPSKVZCMCUKBM-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(C)cc1O ZINC000279966071 1026285700 /nfs/dbraw/zinc/28/57/00/1026285700.db2.gz CPHXHBCBYBVJEF-QGZVFWFLSA-N 1 0 309.413 3.898 20 10 DHCDRO OCC1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000067247457 1026287421 /nfs/dbraw/zinc/28/74/21/1026287421.db2.gz YVSLWOOEJKOINV-UHFFFAOYSA-N 1 0 316.489 3.708 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000808444761 1026288150 /nfs/dbraw/zinc/28/81/50/1026288150.db2.gz KHHVAHNXLBCRST-LAUBAEHRSA-N 1 0 324.468 3.889 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000808444763 1026288345 /nfs/dbraw/zinc/28/83/45/1026288345.db2.gz KHHVAHNXLBCRST-UWJYYQICSA-N 1 0 324.468 3.889 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808453684 1026292917 /nfs/dbraw/zinc/29/29/17/1026292917.db2.gz JLJNIMYQKHTOSV-SFHVURJKSA-N 1 0 318.848 3.883 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1O ZINC000290056915 1026302228 /nfs/dbraw/zinc/30/22/28/1026302228.db2.gz DYYVSODOLWJHCO-MRXNPFEDSA-N 1 0 305.805 3.567 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2c(F)cccc2F)c1O ZINC000894196739 1026340310 /nfs/dbraw/zinc/34/03/10/1026340310.db2.gz AMENUFPEZLSTPR-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894197186 1026343868 /nfs/dbraw/zinc/34/38/68/1026343868.db2.gz OHIUPZFESZSUNA-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2OC(C)C)c1O ZINC000894198476 1026344143 /nfs/dbraw/zinc/34/41/43/1026344143.db2.gz BEIJNGRWKGBISM-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808694397 1026350205 /nfs/dbraw/zinc/35/02/05/1026350205.db2.gz CKMGMCBJSWMGJI-CYBMUJFWSA-N 1 0 304.821 3.951 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1O ZINC000808672155 1026352817 /nfs/dbraw/zinc/35/28/17/1026352817.db2.gz FJYRLOXRLLNOJE-BLLLJJGKSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000808673743 1026353486 /nfs/dbraw/zinc/35/34/86/1026353486.db2.gz SRLWSAQUPQTTQH-GFCCVEGCSA-N 1 0 308.853 3.631 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1O ZINC000808678042 1026356225 /nfs/dbraw/zinc/35/62/25/1026356225.db2.gz IXYZJYBYURRDAM-KBPBESRZSA-N 1 0 310.869 3.879 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1O ZINC000808727754 1026357818 /nfs/dbraw/zinc/35/78/18/1026357818.db2.gz JMMRHXFOJDIUEH-DOTOQJQBSA-N 1 0 315.388 3.884 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000808695961 1026373966 /nfs/dbraw/zinc/37/39/66/1026373966.db2.gz MIHSHKHVWYSEQF-CZUORRHYSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNc2ccccn2)c1O ZINC000808698957 1026376360 /nfs/dbraw/zinc/37/63/60/1026376360.db2.gz NXCHRPIMKOUMMA-GFCCVEGCSA-N 1 0 305.809 3.512 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1O ZINC000894212667 1026441853 /nfs/dbraw/zinc/44/18/53/1026441853.db2.gz FWNOQRIGPPLNJC-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CCOc1cccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894212230 1026443632 /nfs/dbraw/zinc/44/36/32/1026443632.db2.gz XJUCPAWQBPRLIV-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](=O)CC)C1)c1ccc(C)cc1O ZINC000279975844 1026476684 /nfs/dbraw/zinc/47/66/84/1026476684.db2.gz DHVZIZOBYQFQJC-AAFXUOQASA-N 1 0 323.502 3.821 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2F)c(O)c1 ZINC000809658466 1026585192 /nfs/dbraw/zinc/58/51/92/1026585192.db2.gz ODUPOPLXVPUURC-GFCCVEGCSA-N 1 0 321.367 3.790 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(C)cc1O ZINC000280117679 1026590448 /nfs/dbraw/zinc/59/04/48/1026590448.db2.gz OCAFPMSYLIFEPB-KRWDZBQOSA-N 1 0 303.377 3.573 20 10 DHCDRO CCc1ccc(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000809713552 1026601625 /nfs/dbraw/zinc/60/16/25/1026601625.db2.gz SSMALRKSINFOGS-UHFFFAOYSA-N 1 0 310.191 3.600 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c1O ZINC000809739664 1026611543 /nfs/dbraw/zinc/61/15/43/1026611543.db2.gz BEDAOANWJIWJRQ-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000809751441 1026616465 /nfs/dbraw/zinc/61/64/65/1026616465.db2.gz HJVJPSAWQTZTJZ-LJQANCHMSA-N 1 0 304.478 3.516 20 10 DHCDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809765519 1026620883 /nfs/dbraw/zinc/62/08/83/1026620883.db2.gz NSEGANLEUGTAJA-JXFKEZNVSA-N 1 0 324.468 3.831 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(C)cc1O ZINC000280272609 1026624667 /nfs/dbraw/zinc/62/46/67/1026624667.db2.gz YAMXTIQYGNITLI-AAEUAGOBSA-N 1 0 305.340 3.709 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C)cc1O ZINC000280291839 1026626632 /nfs/dbraw/zinc/62/66/32/1026626632.db2.gz ZGOKZMRMVNHTGS-KRWDZBQOSA-N 1 0 322.412 3.522 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1O ZINC000809792359 1026629648 /nfs/dbraw/zinc/62/96/48/1026629648.db2.gz SORCJAMOHMVBES-OAHLLOKOSA-N 1 0 321.779 3.586 20 10 DHCDRO Oc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(C(F)(F)F)c1 ZINC000810141240 1026688086 /nfs/dbraw/zinc/68/80/86/1026688086.db2.gz PFQCKGWSMOAXBM-UHFFFAOYSA-N 1 0 323.314 3.636 20 10 DHCDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000810172998 1026693853 /nfs/dbraw/zinc/69/38/53/1026693853.db2.gz UEPIZPMFHLPTBS-MRXNPFEDSA-N 1 0 312.457 3.878 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810213522 1026707174 /nfs/dbraw/zinc/70/71/74/1026707174.db2.gz UQOUUKVQEWXOJR-OCCSQVGLSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1O ZINC000810215604 1026708740 /nfs/dbraw/zinc/70/87/40/1026708740.db2.gz HXSYCTBGUCNZHP-CYBMUJFWSA-N 1 0 314.307 3.948 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227639 1026713444 /nfs/dbraw/zinc/71/34/44/1026713444.db2.gz GRRKLWZJLCWFRN-OBJOEFQTSA-N 1 0 317.351 3.755 20 10 DHCDRO CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227872 1026714198 /nfs/dbraw/zinc/71/41/98/1026714198.db2.gz LXHZLKRJQZQDFU-KBPBESRZSA-N 1 0 317.351 3.877 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810229413 1026715209 /nfs/dbraw/zinc/71/52/09/1026715209.db2.gz XKEGXDYLKZLXDV-NOZJJQNGSA-N 1 0 313.323 3.936 20 10 DHCDRO CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(C(F)(F)F)cc1O ZINC000810207931 1026717466 /nfs/dbraw/zinc/71/74/66/1026717466.db2.gz POEBJVJIGCLLCK-CQSZACIVSA-N 1 0 318.383 3.794 20 10 DHCDRO CC[C@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810237634 1026725272 /nfs/dbraw/zinc/72/52/72/1026725272.db2.gz DEMLQIPKZMEHBU-LBPRGKRZSA-N 1 0 305.340 3.613 20 10 DHCDRO COc1cccc(C2(C[NH2+][C@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000810239955 1026725901 /nfs/dbraw/zinc/72/59/01/1026725901.db2.gz KWFIFJDGTYSVMP-CYBMUJFWSA-N 1 0 315.388 3.922 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238336 1026726031 /nfs/dbraw/zinc/72/60/31/1026726031.db2.gz JFKDNFDLQIFYNP-SUHUHFCYSA-N 1 0 317.351 3.613 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811518439 1027020169 /nfs/dbraw/zinc/02/01/69/1027020169.db2.gz KMHUVLYLQLKKHI-RDJZCZTQSA-N 1 0 321.848 3.888 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1O ZINC000894261902 1027025959 /nfs/dbraw/zinc/02/59/59/1027025959.db2.gz WGUQPWVAZSVLEB-KSSFIOAISA-N 1 0 321.461 3.640 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513573 1027028671 /nfs/dbraw/zinc/02/86/71/1027028671.db2.gz KMBBPXNAZBWVOS-HNNXBMFYSA-N 1 0 322.246 3.919 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@H]1[C@@H]1CCCO1 ZINC000811777972 1027082269 /nfs/dbraw/zinc/08/22/69/1027082269.db2.gz WHHGIZISJKUMSN-OALUTQOASA-N 1 0 315.457 3.660 20 10 DHCDRO COc1ccc(O)c(CNc2cc[nH+]c3cc(OC)ccc23)c1 ZINC000811805964 1027087076 /nfs/dbraw/zinc/08/70/76/1027087076.db2.gz GGVPLINJQUXXLW-UHFFFAOYSA-N 1 0 310.353 3.570 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccncc2C)cc1F ZINC000295299849 1027188658 /nfs/dbraw/zinc/18/86/58/1027188658.db2.gz XPLJYBCWNZNERJ-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO COc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000812291056 1027236753 /nfs/dbraw/zinc/23/67/53/1027236753.db2.gz JNOHJBUVDQASAP-OAHLLOKOSA-N 1 0 321.461 3.698 20 10 DHCDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157460950 1027303674 /nfs/dbraw/zinc/30/36/74/1027303674.db2.gz VWEHNTCADCZZMV-HNAYVOBHSA-N 1 0 302.462 3.832 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000812715841 1027372206 /nfs/dbraw/zinc/37/22/06/1027372206.db2.gz AZSALKLAJJBAMV-LJQANCHMSA-N 1 0 310.441 3.934 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000812790617 1027407903 /nfs/dbraw/zinc/40/79/03/1027407903.db2.gz ARHGSZVLQFABEZ-UHFFFAOYSA-N 1 0 301.361 3.529 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854100 1027453288 /nfs/dbraw/zinc/45/32/88/1027453288.db2.gz VJUWEMPMEWVSBV-OXQOHEQNSA-N 1 0 312.457 3.697 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(OC)c1 ZINC001138386820 1027456528 /nfs/dbraw/zinc/45/65/28/1027456528.db2.gz XIQVGIOUOGIQTO-MRXNPFEDSA-N 1 0 308.441 3.865 20 10 DHCDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295861735 1027465351 /nfs/dbraw/zinc/46/53/51/1027465351.db2.gz GPSUDLLMOTVMQS-QGZVFWFLSA-N 1 0 324.424 3.764 20 10 DHCDRO COCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000296281259 1027594626 /nfs/dbraw/zinc/59/46/26/1027594626.db2.gz CSOVIDMGOUYALT-CABCVRRESA-N 1 0 301.386 3.648 20 10 DHCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000296619022 1027686729 /nfs/dbraw/zinc/68/67/29/1027686729.db2.gz UPYKDGQZZMWMKE-INIZCTEOSA-N 1 0 302.462 3.534 20 10 DHCDRO Oc1ccc(F)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000778988639 1027719103 /nfs/dbraw/zinc/71/91/03/1027719103.db2.gz IWMHPVVEYYPTMO-UHFFFAOYSA-N 1 0 320.795 3.507 20 10 DHCDRO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C[NH+](C)C ZINC000813877041 1027746733 /nfs/dbraw/zinc/74/67/33/1027746733.db2.gz JADIMFPOHLEYCW-NXEZZACHSA-N 1 0 305.249 3.547 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000813884428 1027751351 /nfs/dbraw/zinc/75/13/51/1027751351.db2.gz WABDMCMHSQBDFZ-LSDHHAIUSA-N 1 0 314.404 3.769 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000813883850 1027751492 /nfs/dbraw/zinc/75/14/92/1027751492.db2.gz OWCQJANXOLSYAU-TZMCWYRMSA-N 1 0 318.367 3.600 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000364591651 1027849699 /nfs/dbraw/zinc/84/96/99/1027849699.db2.gz UFJFGSWNHPAJDR-RRMPHLOHSA-N 1 0 324.468 3.699 20 10 DHCDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2O)C1 ZINC000364622940 1027854497 /nfs/dbraw/zinc/85/44/97/1027854497.db2.gz MLHLWJXPJVYNJZ-DOTOQJQBSA-N 1 0 313.445 3.939 20 10 DHCDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000527766721 1027885374 /nfs/dbraw/zinc/88/53/74/1027885374.db2.gz PYHUSGXMTVYVTN-FXAWDEMLSA-N 1 0 309.409 3.716 20 10 DHCDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001170727691 1027894680 /nfs/dbraw/zinc/89/46/80/1027894680.db2.gz OUZLVRCMEZWEFP-CLLJXQQHSA-N 1 0 310.235 3.679 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000814169925 1027925095 /nfs/dbraw/zinc/92/50/95/1027925095.db2.gz ONDQNUDIIUQPIT-MRXNPFEDSA-N 1 0 311.853 3.631 20 10 DHCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1c1ccncc1 ZINC000814227898 1027961158 /nfs/dbraw/zinc/96/11/58/1027961158.db2.gz OSRCMVMKJUDOIJ-LJQANCHMSA-N 1 0 319.408 3.919 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365623109 1027986098 /nfs/dbraw/zinc/98/60/98/1027986098.db2.gz PQZXSOBAFFXADT-NJAFHUGGSA-N 1 0 301.430 3.877 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527965242 1028007665 /nfs/dbraw/zinc/00/76/65/1028007665.db2.gz LURRVRMBKFDGPT-BFUOFWGJSA-N 1 0 312.413 3.988 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1O ZINC000528002714 1028028486 /nfs/dbraw/zinc/02/84/86/1028028486.db2.gz QLFYBCASHQUNPC-SWLSCSKDSA-N 1 0 308.853 3.713 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@@H](c3cccnc3)C3CCC3)ccc21 ZINC000366476623 1028085721 /nfs/dbraw/zinc/08/57/21/1028085721.db2.gz XXDJCTMNRBBKTG-HXUWFJFHSA-N 1 0 307.441 3.705 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779074435 1028166608 /nfs/dbraw/zinc/16/66/08/1028166608.db2.gz SPHDDNIDAZTAHK-QWRGUYRKSA-N 1 0 316.239 3.539 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779072883 1028167786 /nfs/dbraw/zinc/16/77/86/1028167786.db2.gz MCUUDJGNMYGZIV-GJZGRUSLSA-N 1 0 308.441 3.892 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc2c(cc1O)CCCC2 ZINC000779080158 1028189537 /nfs/dbraw/zinc/18/95/37/1028189537.db2.gz TWOVWRJSHQMQRC-XJKSGUPXSA-N 1 0 303.446 3.879 20 10 DHCDRO Cc1nc([C@@H]2CCCCN2Cc2c(O)ccc3ccccc32)no1 ZINC000367474342 1028192834 /nfs/dbraw/zinc/19/28/34/1028192834.db2.gz FKVLZZUWAXCLHS-KRWDZBQOSA-N 1 0 323.396 3.964 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000779088276 1028213653 /nfs/dbraw/zinc/21/36/53/1028213653.db2.gz SBGQYGADIVJJQK-KRWDZBQOSA-N 1 0 303.402 3.652 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2cc(F)ccc2O)c(C)n1 ZINC000779103457 1028260181 /nfs/dbraw/zinc/26/01/81/1028260181.db2.gz ICLQXJUUKIXZOA-UHFFFAOYSA-N 1 0 305.397 3.516 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214695 1028318016 /nfs/dbraw/zinc/31/80/16/1028318016.db2.gz ZUYPNPYEHAQDFI-HZMBPMFUSA-N 1 0 305.324 3.763 20 10 DHCDRO Cc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)ccc1N(C)C ZINC000815055107 1028335037 /nfs/dbraw/zinc/33/50/37/1028335037.db2.gz VZQZNEGWPXHJQK-HXUWFJFHSA-N 1 0 312.457 3.617 20 10 DHCDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000368325415 1028335817 /nfs/dbraw/zinc/33/58/17/1028335817.db2.gz AETDORCMHKYTCJ-XJKSGUPXSA-N 1 0 313.397 3.884 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815080545 1028352838 /nfs/dbraw/zinc/35/28/38/1028352838.db2.gz SMMYKPVECAGUPX-HKUYNNGSSA-N 1 0 316.489 3.700 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000815112727 1028359065 /nfs/dbraw/zinc/35/90/65/1028359065.db2.gz ZSSPGQIRCMDGQR-SFTDATJTSA-N 1 0 323.484 3.678 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815120009 1028366095 /nfs/dbraw/zinc/36/60/95/1028366095.db2.gz LZPTYLXJNNBRLU-ROUUACIJSA-N 1 0 302.462 3.532 20 10 DHCDRO COc1ccc(F)c(C[NH2+]CCCSc2nccs2)c1 ZINC000815124493 1028370081 /nfs/dbraw/zinc/37/00/81/1028370081.db2.gz AUPBOGQAOSAQKM-UHFFFAOYSA-N 1 0 312.435 3.563 20 10 DHCDRO Cc1cc(CN2CCC=C(Br)C2)ccc1N(C)C ZINC000815106889 1028380774 /nfs/dbraw/zinc/38/07/74/1028380774.db2.gz COERNBFWJWFRIR-UHFFFAOYSA-N 1 0 309.251 3.546 20 10 DHCDRO COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000815135757 1028393240 /nfs/dbraw/zinc/39/32/40/1028393240.db2.gz GTPDFRRBABOOEV-ZDUSSCGKSA-N 1 0 302.393 3.751 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCc1cc2ccccc2s1 ZINC000815148919 1028402732 /nfs/dbraw/zinc/40/27/32/1028402732.db2.gz QCXRAGXIBRAKOO-UHFFFAOYSA-N 1 0 313.422 3.948 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1O ZINC000368819702 1028415306 /nfs/dbraw/zinc/41/53/06/1028415306.db2.gz XBDKDTAELKUHBX-CYBMUJFWSA-N 1 0 309.837 3.745 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000779152454 1028441630 /nfs/dbraw/zinc/44/16/30/1028441630.db2.gz ABZDNLCYVKGDBU-MJGOQNOKSA-N 1 0 304.478 3.516 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000779152452 1028452087 /nfs/dbraw/zinc/45/20/87/1028452087.db2.gz ABZDNLCYVKGDBU-HKUYNNGSSA-N 1 0 304.478 3.516 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000187831348 1028477326 /nfs/dbraw/zinc/47/73/26/1028477326.db2.gz PRWGOIHYRDLQNF-ZHRRBRCNSA-N 1 0 324.534 3.512 20 10 DHCDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000188063305 1028493546 /nfs/dbraw/zinc/49/35/46/1028493546.db2.gz LBXGDHDMVDLEKE-HNNXBMFYSA-N 1 0 320.452 3.629 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1O ZINC000369652113 1028516155 /nfs/dbraw/zinc/51/61/55/1028516155.db2.gz BZGNXBDQBZSKCZ-SJORKVTESA-N 1 0 310.441 3.959 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)c(C)c1 ZINC000188795441 1028532270 /nfs/dbraw/zinc/53/22/70/1028532270.db2.gz VGTKOCBGXIIHOT-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CC(C)[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815580575 1028554582 /nfs/dbraw/zinc/55/45/82/1028554582.db2.gz MRMGHWZHVNZWDG-QUCCMNQESA-N 1 0 313.441 3.673 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ncccc2Cl)c(O)c1 ZINC000815595879 1028561981 /nfs/dbraw/zinc/56/19/81/1028561981.db2.gz FFZGNNKTCJAZMO-ZDUSSCGKSA-N 1 0 320.820 3.787 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1 ZINC000815617966 1028571308 /nfs/dbraw/zinc/57/13/08/1028571308.db2.gz ZRXZCHNOAHAODT-HNNXBMFYSA-N 1 0 323.440 3.789 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(C)cc1O ZINC000815648466 1028591556 /nfs/dbraw/zinc/59/15/56/1028591556.db2.gz NFHSHISBRRNEIG-WMZOPIPTSA-N 1 0 305.462 3.930 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815650604 1028595155 /nfs/dbraw/zinc/59/51/55/1028595155.db2.gz WRCLSOOZDNODLI-SECBINFHSA-N 1 0 311.303 3.669 20 10 DHCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000815651149 1028596009 /nfs/dbraw/zinc/59/60/09/1028596009.db2.gz LKMHKSJIIXAPIX-KUHUBIRLSA-N 1 0 320.452 3.892 20 10 DHCDRO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336761 1028838478 /nfs/dbraw/zinc/83/84/78/1028838478.db2.gz JNXBPSBBSNEQSF-KBPBESRZSA-N 1 0 305.324 3.845 20 10 DHCDRO COc1ccc(N2CCC[N@H+](Cc3ccsc3C)CC2)cc1 ZINC000816495126 1028900015 /nfs/dbraw/zinc/90/00/15/1028900015.db2.gz LGQDDZDKQRDABP-UHFFFAOYSA-N 1 0 316.470 3.777 20 10 DHCDRO COCc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816535022 1028924459 /nfs/dbraw/zinc/92/44/59/1028924459.db2.gz CGCHJSJQAWYKST-UHFFFAOYSA-N 1 0 307.393 3.982 20 10 DHCDRO CN(CC[NH2+]Cc1ccc2ccccc2c1O)C1CCCCC1 ZINC000816542108 1028926118 /nfs/dbraw/zinc/92/61/18/1028926118.db2.gz DBROHMLVUWCBPY-UHFFFAOYSA-N 1 0 312.457 3.900 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCC(C)CC1 ZINC000816544002 1028926301 /nfs/dbraw/zinc/92/63/01/1028926301.db2.gz VIACLELQGFMXRS-INIZCTEOSA-N 1 0 312.457 3.755 20 10 DHCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549475 1028929133 /nfs/dbraw/zinc/92/91/33/1028929133.db2.gz OZZYGQQMOAVLOY-IBGZPJMESA-N 1 0 307.393 3.677 20 10 DHCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589763 1028939861 /nfs/dbraw/zinc/93/98/61/1028939861.db2.gz HOZWCKBVARCPCX-INIZCTEOSA-N 1 0 315.816 3.558 20 10 DHCDRO OCCC1(C[NH2+]Cc2ccc3ccccc3c2O)CCCCC1 ZINC000816554741 1028942069 /nfs/dbraw/zinc/94/20/69/1028942069.db2.gz IBUNFOKZQXUZET-UHFFFAOYSA-N 1 0 313.441 3.968 20 10 DHCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554032 1028942669 /nfs/dbraw/zinc/94/26/69/1028942669.db2.gz NGFQSXYQMFDNAF-HNNXBMFYSA-N 1 0 301.430 3.680 20 10 DHCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC000816560438 1028943931 /nfs/dbraw/zinc/94/39/31/1028943931.db2.gz OYDZUZWKHIPSQV-ZWKOTPCHSA-N 1 0 313.441 3.774 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCO[C@H]1C1CC1 ZINC000816570802 1028949650 /nfs/dbraw/zinc/94/96/50/1028949650.db2.gz HUOIAOLMEHJSKF-PMACEKPBSA-N 1 0 311.425 3.840 20 10 DHCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816599805 1028957443 /nfs/dbraw/zinc/95/74/43/1028957443.db2.gz ZDXHEAYWGYVPPZ-LJQANCHMSA-N 1 0 321.420 3.629 20 10 DHCDRO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816610050 1028960514 /nfs/dbraw/zinc/96/05/14/1028960514.db2.gz WKUOGVJKJDFBCF-HNAYVOBHSA-N 1 0 310.441 3.604 20 10 DHCDRO Oc1c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617099 1028964020 /nfs/dbraw/zinc/96/40/20/1028964020.db2.gz OYDIBAGKLHTCCZ-GOSISDBHSA-N 1 0 311.425 3.794 20 10 DHCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cccc(C)c1O ZINC000373571025 1029082614 /nfs/dbraw/zinc/08/26/14/1029082614.db2.gz BAWCDNREOWEZJY-CYBMUJFWSA-N 1 0 302.443 3.675 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000817409518 1029151009 /nfs/dbraw/zinc/15/10/09/1029151009.db2.gz DCXCXOCDMSSTPH-QWHCGFSZSA-N 1 0 307.459 3.585 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000155230935 1029205217 /nfs/dbraw/zinc/20/52/17/1029205217.db2.gz KLHCMJVSJJZMAF-ZWKOTPCHSA-N 1 0 316.420 3.875 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccncc1Cl ZINC000817578795 1029206264 /nfs/dbraw/zinc/20/62/64/1029206264.db2.gz YLBHWWCJOMDXMA-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000817589854 1029218511 /nfs/dbraw/zinc/21/85/11/1029218511.db2.gz QKHPSKKDZLDWPL-GDBMZVCRSA-N 1 0 304.503 3.937 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817934790 1029280240 /nfs/dbraw/zinc/28/02/40/1029280240.db2.gz PGJKFTNIYQMKRX-IWMITWMQSA-N 1 0 323.484 3.726 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817938474 1029283314 /nfs/dbraw/zinc/28/33/14/1029283314.db2.gz LDEDVBCNBZKDLJ-OALUTQOASA-N 1 0 315.436 3.632 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817939503 1029284092 /nfs/dbraw/zinc/28/40/92/1029284092.db2.gz BXAWYCGDTJCNOE-VOBQZIQPSA-N 1 0 309.457 3.591 20 10 DHCDRO CC(C)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817941093 1029284669 /nfs/dbraw/zinc/28/46/69/1029284669.db2.gz IQPGBPGTWWDMBL-WOJBJXKFSA-N 1 0 311.473 3.739 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1[O-] ZINC000817947533 1029286068 /nfs/dbraw/zinc/28/60/68/1029286068.db2.gz AEFXAJDZXLJVMU-KRWDZBQOSA-N 1 0 318.848 3.788 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(C)c1 ZINC000817942008 1029289047 /nfs/dbraw/zinc/28/90/47/1029289047.db2.gz MAAKPXDFVHRIRG-VQTJNVASSA-N 1 0 311.473 3.802 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000817955752 1029295620 /nfs/dbraw/zinc/29/56/20/1029295620.db2.gz HAGVNAZXTQWDAZ-INIZCTEOSA-N 1 0 302.418 3.777 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000817956189 1029296975 /nfs/dbraw/zinc/29/69/75/1029296975.db2.gz SVZXMYDQAYDSNF-PXNSSMCTSA-N 1 0 310.441 3.569 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000817955976 1029297775 /nfs/dbraw/zinc/29/77/75/1029297775.db2.gz MRCLBEBKVTWHDZ-KRWDZBQOSA-N 1 0 316.832 3.968 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955078 1029298116 /nfs/dbraw/zinc/29/81/16/1029298116.db2.gz PSZIQLYVIZKDHY-YGRLFVJLSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000817962563 1029301778 /nfs/dbraw/zinc/30/17/78/1029301778.db2.gz KJOYZKUSJFVBBE-GHMZBOCLSA-N 1 0 306.356 3.541 20 10 DHCDRO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817960483 1029302121 /nfs/dbraw/zinc/30/21/21/1029302121.db2.gz ZQMUFGBUBNACAH-AEFFLSMTSA-N 1 0 303.494 3.701 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817977292 1029313550 /nfs/dbraw/zinc/31/35/50/1029313550.db2.gz GSSJNLUEVFUVKY-TVQRCGJNSA-N 1 0 305.249 3.867 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983039 1029319953 /nfs/dbraw/zinc/31/99/53/1029319953.db2.gz XPSJBNAMSMDWRA-CHIMOYNISA-N 1 0 317.260 3.867 20 10 DHCDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817984686 1029320775 /nfs/dbraw/zinc/32/07/75/1029320775.db2.gz XIVLLFMNPARUSL-NVXWUHKLSA-N 1 0 319.468 3.609 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1[O-] ZINC000817984014 1029322922 /nfs/dbraw/zinc/32/29/22/1029322922.db2.gz UVUMQUJIGBNQIF-CXAGYDPISA-N 1 0 302.393 3.662 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)s3)C2)cc1 ZINC000818222354 1029357386 /nfs/dbraw/zinc/35/73/86/1029357386.db2.gz XUFDZBINHUJMSN-OAHLLOKOSA-N 1 0 316.470 3.681 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000818221504 1029357491 /nfs/dbraw/zinc/35/74/91/1029357491.db2.gz NJXQAKIFATYVPO-MRXNPFEDSA-N 1 0 314.473 3.834 20 10 DHCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC000818331644 1029370794 /nfs/dbraw/zinc/37/07/94/1029370794.db2.gz XKLVMWALLWYROT-XGPVDZAGSA-N 1 0 314.473 3.580 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(C(C)C)C3)C2)cc1 ZINC000818342052 1029372986 /nfs/dbraw/zinc/37/29/86/1029372986.db2.gz KUXXQPNZUYPZBM-GTPINHCMSA-N 1 0 302.462 3.546 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818356377 1029382229 /nfs/dbraw/zinc/38/22/29/1029382229.db2.gz NTYYKRFZKPDCLU-RZAIGCCYSA-N 1 0 301.361 3.689 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818356516 1029383157 /nfs/dbraw/zinc/38/31/57/1029383157.db2.gz NTYYKRFZKPDCLU-UYHISHBKSA-N 1 0 301.361 3.689 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1C ZINC000819904268 1029622792 /nfs/dbraw/zinc/62/27/92/1029622792.db2.gz QTWHZMLOCGFDGW-IBGZPJMESA-N 1 0 315.457 3.790 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865699360 1029980880 /nfs/dbraw/zinc/98/08/80/1029980880.db2.gz XSZFRZXQKXMKSW-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H](C)c2cnc(C)s2)ccc1OC ZINC000865701124 1029981328 /nfs/dbraw/zinc/98/13/28/1029981328.db2.gz HEVLPUDXNLRLRR-GFCCVEGCSA-N 1 0 320.458 3.847 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000865725309 1029992062 /nfs/dbraw/zinc/99/20/62/1029992062.db2.gz HRMPMYXDOCEEAW-SFHVURJKSA-N 1 0 320.502 3.539 20 10 DHCDRO CC(C)n1cncc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000822443143 1030026069 /nfs/dbraw/zinc/02/60/69/1030026069.db2.gz PCCBEPDHDPYFHC-UHFFFAOYSA-N 1 0 314.477 3.941 20 10 DHCDRO CCOc1ccc(C[NH2+]CCSCCC(F)(F)F)c(O)c1 ZINC000865788648 1030027226 /nfs/dbraw/zinc/02/72/26/1030027226.db2.gz VIEUGTWFQFIJKF-UHFFFAOYSA-N 1 0 323.380 3.566 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c1O ZINC000865815225 1030039055 /nfs/dbraw/zinc/03/90/55/1030039055.db2.gz WQCRHSQGSZMQAP-UHFFFAOYSA-N 1 0 303.402 3.971 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2OC)c(O)c1 ZINC000865820704 1030040233 /nfs/dbraw/zinc/04/02/33/1030040233.db2.gz AAMNTWSJJNZYPL-CYBMUJFWSA-N 1 0 301.386 3.650 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822530362 1030044566 /nfs/dbraw/zinc/04/45/66/1030044566.db2.gz YTEHIIIIRNDXTG-LJQANCHMSA-N 1 0 314.473 3.534 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@H](CC)c2ccncc2)c1O ZINC000290519893 1030086592 /nfs/dbraw/zinc/08/65/92/1030086592.db2.gz PZWHPZPJLHYWJE-MRXNPFEDSA-N 1 0 300.402 3.769 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000822818766 1030135004 /nfs/dbraw/zinc/13/50/04/1030135004.db2.gz UPABWSYWKYLJHH-NXEZZACHSA-N 1 0 304.217 3.635 20 10 DHCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000290842997 1030218967 /nfs/dbraw/zinc/21/89/67/1030218967.db2.gz IMJKLPAZKPGYTD-HXUWFJFHSA-N 1 0 324.472 3.629 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000866404703 1030283234 /nfs/dbraw/zinc/28/32/34/1030283234.db2.gz ONKFHFYCMYVVPC-XVSDVWIESA-N 1 0 313.397 3.582 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866410754 1030285882 /nfs/dbraw/zinc/28/58/82/1030285882.db2.gz RKDQPGBLVZEQGU-KSSFIOAISA-N 1 0 318.436 3.646 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000866480388 1030318397 /nfs/dbraw/zinc/31/83/97/1030318397.db2.gz CREKPGFZOIHLBV-KBXCAEBGSA-N 1 0 319.445 3.791 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000866484992 1030322363 /nfs/dbraw/zinc/32/23/63/1030322363.db2.gz BZEJPLNCNGFHRQ-NWDGAFQWSA-N 1 0 312.369 3.959 20 10 DHCDRO C[C@@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866512642 1030337239 /nfs/dbraw/zinc/33/72/39/1030337239.db2.gz BIQUHWZYRDIOGO-GFCCVEGCSA-N 1 0 313.376 3.884 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000866512734 1030338412 /nfs/dbraw/zinc/33/84/12/1030338412.db2.gz OKRXSVOOTBDYCX-UTKHUVCWSA-N 1 0 319.420 3.874 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000866513612 1030339653 /nfs/dbraw/zinc/33/96/53/1030339653.db2.gz WVBZYWUUOFUTAP-PPHDSNJXSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000866527671 1030345187 /nfs/dbraw/zinc/34/51/87/1030345187.db2.gz MCFVPRLUOWXAEG-DOTOQJQBSA-N 1 0 302.462 3.610 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000823671622 1030362379 /nfs/dbraw/zinc/36/23/79/1030362379.db2.gz QZWKYZQDPGWFRW-UHFFFAOYSA-N 1 0 309.413 3.964 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)CC2 ZINC000866541692 1030363211 /nfs/dbraw/zinc/36/32/11/1030363211.db2.gz RAENMGKHEOKPTF-CQSZACIVSA-N 1 0 323.314 3.910 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000823729444 1030385641 /nfs/dbraw/zinc/38/56/41/1030385641.db2.gz GWTWKIKOBRGNNZ-NVXWUHKLSA-N 1 0 302.462 3.753 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2cc3cccnc3o2)n1 ZINC000823938113 1030439621 /nfs/dbraw/zinc/43/96/21/1030439621.db2.gz TVWVZASJEANDSW-UHFFFAOYSA-N 1 0 305.428 3.556 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000121239545 1030439653 /nfs/dbraw/zinc/43/96/53/1030439653.db2.gz SPXUSUXMZUHLCX-UHFFFAOYSA-N 1 0 310.441 3.933 20 10 DHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cc1OC ZINC000824548962 1030580067 /nfs/dbraw/zinc/58/00/67/1030580067.db2.gz UHDMQXHWLBNXCC-GFCCVEGCSA-N 1 0 319.376 3.708 20 10 DHCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000824576522 1030584238 /nfs/dbraw/zinc/58/42/38/1030584238.db2.gz MZJFGFKAWBHNOV-FQEVSTJZSA-N 1 0 311.425 3.918 20 10 DHCDRO CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000824602885 1030590052 /nfs/dbraw/zinc/59/00/52/1030590052.db2.gz FXVJGGQCALWSCU-ZDUSSCGKSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636111 1030597729 /nfs/dbraw/zinc/59/77/29/1030597729.db2.gz LVXGCQAUGUCLAG-IEBWSBKVSA-N 1 0 311.425 3.652 20 10 DHCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2C2CC2)ccc1N1CCCCC1 ZINC000824651327 1030600645 /nfs/dbraw/zinc/60/06/45/1030600645.db2.gz XFZGEQHJSVMQFC-INIZCTEOSA-N 1 0 315.417 3.569 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C ZINC000824695936 1030613140 /nfs/dbraw/zinc/61/31/40/1030613140.db2.gz DXJZDXYLDFRYAP-KZNAEPCWSA-N 1 0 303.446 3.525 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824695763 1030614216 /nfs/dbraw/zinc/61/42/16/1030614216.db2.gz CJRNXQCDICPTJG-BRWVUGGUSA-N 1 0 323.864 3.870 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824695764 1030614442 /nfs/dbraw/zinc/61/44/42/1030614442.db2.gz CJRNXQCDICPTJG-GVDBMIGSSA-N 1 0 323.864 3.870 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000824716402 1030620257 /nfs/dbraw/zinc/62/02/57/1030620257.db2.gz UFPNFZRJMSDCQK-AAEUAGOBSA-N 1 0 317.351 3.954 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824774272 1030633792 /nfs/dbraw/zinc/63/37/92/1030633792.db2.gz SCKAQABZOCSULW-TVQRCGJNSA-N 1 0 304.217 3.635 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000824750771 1030638592 /nfs/dbraw/zinc/63/85/92/1030638592.db2.gz OGFGUUCQCUJGKY-ZDUSSCGKSA-N 1 0 309.837 3.793 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1F ZINC000824815725 1030645513 /nfs/dbraw/zinc/64/55/13/1030645513.db2.gz XQWZCFBMHZOEKS-RDTXWAMCSA-N 1 0 308.441 3.529 20 10 DHCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000824815586 1030648635 /nfs/dbraw/zinc/64/86/35/1030648635.db2.gz UGQAJOSFRGDURJ-LPHOPBHVSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000824856092 1030653830 /nfs/dbraw/zinc/65/38/30/1030653830.db2.gz SOCOBJUMMSEMJM-KRWDZBQOSA-N 1 0 309.837 3.747 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893135 1030661812 /nfs/dbraw/zinc/66/18/12/1030661812.db2.gz LHYIGWVSPNCBMY-CVEARBPZSA-N 1 0 321.848 3.827 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045842 1030706115 /nfs/dbraw/zinc/70/61/15/1030706115.db2.gz MLYNSOMGOGCYJR-LBPRGKRZSA-N 1 0 323.314 3.595 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000825247517 1030757877 /nfs/dbraw/zinc/75/78/77/1030757877.db2.gz TUJWJJGJRRTKJI-AWEZNQCLSA-N 1 0 310.869 3.564 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1O ZINC000248689819 1030760979 /nfs/dbraw/zinc/76/09/79/1030760979.db2.gz ANEFTEXOMBKMCO-PBXWNFIWSA-N 1 0 307.821 3.654 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccncc1 ZINC000825303057 1030766618 /nfs/dbraw/zinc/76/66/18/1030766618.db2.gz CKDICUQPLNBMNL-AWEZNQCLSA-N 1 0 321.218 3.791 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2N(C)C)cc1Cl ZINC000825430528 1030795362 /nfs/dbraw/zinc/79/53/62/1030795362.db2.gz ZTQRQBQKROKDLB-UHFFFAOYSA-N 1 0 304.821 3.710 20 10 DHCDRO COc1cc(F)cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825384371 1030795767 /nfs/dbraw/zinc/79/57/67/1030795767.db2.gz AJHLNBJVCCCLNE-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1Cl ZINC000825418274 1030807735 /nfs/dbraw/zinc/80/77/35/1030807735.db2.gz VMTRJSMLYJZQKO-CQSZACIVSA-N 1 0 324.877 3.808 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000122811585 1030885015 /nfs/dbraw/zinc/88/50/15/1030885015.db2.gz GJUHOULIYVWSHG-GOSISDBHSA-N 1 0 314.477 3.652 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926915713 1030990138 /nfs/dbraw/zinc/99/01/38/1030990138.db2.gz LVEIJDHLYBQQKQ-COPLHBTASA-N 1 0 303.324 3.543 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000926918336 1030992571 /nfs/dbraw/zinc/99/25/71/1030992571.db2.gz ZVVSOKOROREZBR-YWPYICTPSA-N 1 0 317.351 3.851 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000926917982 1030993060 /nfs/dbraw/zinc/99/30/60/1030993060.db2.gz GFVDJJQSAPQGDG-LBPRGKRZSA-N 1 0 302.443 3.887 20 10 DHCDRO C[C@H](c1ncc(C(C)(C)C)o1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220155 1030996941 /nfs/dbraw/zinc/99/69/41/1030996941.db2.gz TTWLGYHAOCWKBM-CYBMUJFWSA-N 1 0 313.445 3.945 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000926921095 1030996803 /nfs/dbraw/zinc/99/68/03/1030996803.db2.gz YPHUJXRERWOEKZ-NSHDSACASA-N 1 0 318.442 3.587 20 10 DHCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2ccccc2s1 ZINC000844220607 1030997542 /nfs/dbraw/zinc/99/75/42/1030997542.db2.gz YXTKLUDFKOGGBI-UHFFFAOYSA-N 1 0 309.438 3.708 20 10 DHCDRO Cc1nnsc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000844295833 1031050716 /nfs/dbraw/zinc/05/07/16/1031050716.db2.gz FTUSVAYWKFUBND-UHFFFAOYSA-N 1 0 317.458 3.887 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000927072953 1031074456 /nfs/dbraw/zinc/07/44/56/1031074456.db2.gz ZTHHDCYVTBDBBS-ZBEGNZNMSA-N 1 0 307.825 3.827 20 10 DHCDRO CCOc1ccc(F)c(CN(C)Cc2ccccc2O)c1F ZINC001143943444 1031099520 /nfs/dbraw/zinc/09/95/20/1031099520.db2.gz XYQMSLHHDIXKIC-UHFFFAOYSA-N 1 0 307.340 3.701 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000927115163 1031099782 /nfs/dbraw/zinc/09/97/82/1031099782.db2.gz JEBLBGNYGXPXCQ-ORAYPTAESA-N 1 0 315.388 3.886 20 10 DHCDRO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1N1CCCCC1 ZINC000844464594 1031161426 /nfs/dbraw/zinc/16/14/26/1031161426.db2.gz XOTTVGLNTUZWNP-IYBDPMFKSA-N 1 0 306.400 3.682 20 10 DHCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000844718289 1031303774 /nfs/dbraw/zinc/30/37/74/1031303774.db2.gz GEBUMAIMEWFZEX-MRXNPFEDSA-N 1 0 321.461 3.785 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000123863499 1031380363 /nfs/dbraw/zinc/38/03/63/1031380363.db2.gz VFEUBIDLPOHTIJ-JXFKEZNVSA-N 1 0 311.473 3.706 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000123917177 1031392413 /nfs/dbraw/zinc/39/24/13/1031392413.db2.gz RZFSKBNZICGTGT-UHFFFAOYSA-N 1 0 321.424 3.957 20 10 DHCDRO Cc1nccnc1[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000872132459 1031525272 /nfs/dbraw/zinc/52/52/72/1031525272.db2.gz FXFPKKUFKNRWFJ-GAFUQQFSSA-N 1 0 301.365 3.529 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000872133931 1031529088 /nfs/dbraw/zinc/52/90/88/1031529088.db2.gz UABYBURQDJKRAB-PUECVXPYSA-N 1 0 303.377 3.694 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000293748310 1031597788 /nfs/dbraw/zinc/59/77/88/1031597788.db2.gz NZHZUOFTHMQDTN-IEBWSBKVSA-N 1 0 311.425 3.692 20 10 DHCDRO CC(C)(CCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000322224459 1031627616 /nfs/dbraw/zinc/62/76/16/1031627616.db2.gz VKPYEXVVAIZZQH-UHFFFAOYSA-N 1 0 313.397 3.622 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000872817449 1031666505 /nfs/dbraw/zinc/66/65/05/1031666505.db2.gz ZTVUEIROEZNXMT-JSGCOSHPSA-N 1 0 317.351 3.551 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000872817448 1031667180 /nfs/dbraw/zinc/66/71/80/1031667180.db2.gz ZTVUEIROEZNXMT-GXTWGEPZSA-N 1 0 317.351 3.551 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(OC3CCC3)CC2)c(Cl)c1 ZINC000841888708 1031667206 /nfs/dbraw/zinc/66/72/06/1031667206.db2.gz NWSKSWPTDRNJEH-UHFFFAOYSA-N 1 0 309.837 3.888 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(O)c1 ZINC001144514658 1031672469 /nfs/dbraw/zinc/67/24/69/1031672469.db2.gz NTUXITJIHYVDLR-OAHLLOKOSA-N 1 0 313.397 3.573 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c(O)c1 ZINC001144515617 1031675794 /nfs/dbraw/zinc/67/57/94/1031675794.db2.gz SRKISHHCSKINNK-HNNXBMFYSA-N 1 0 319.788 3.794 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)cc1 ZINC000760447031 1031721500 /nfs/dbraw/zinc/72/15/00/1031721500.db2.gz LOKIZBQZIFGILZ-UHFFFAOYSA-N 1 0 324.468 3.982 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2O ZINC000873289195 1031790694 /nfs/dbraw/zinc/79/06/94/1031790694.db2.gz QVAUVYJIHLIQQZ-LKFCYVNXSA-N 1 0 304.340 3.591 20 10 DHCDRO C[C@H](CO)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000846059041 1031816265 /nfs/dbraw/zinc/81/62/65/1031816265.db2.gz XJERFIHTXJLEOI-QGZVFWFLSA-N 1 0 316.489 3.517 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846033849 1031823855 /nfs/dbraw/zinc/82/38/55/1031823855.db2.gz BNPYLQKFKRZMLF-UGSOOPFHSA-N 1 0 319.832 3.740 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000846040688 1031835184 /nfs/dbraw/zinc/83/51/84/1031835184.db2.gz XZUYFEQIDGXGHM-GJZGRUSLSA-N 1 0 301.789 3.585 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042423 1031837881 /nfs/dbraw/zinc/83/78/81/1031837881.db2.gz LQRKLSYZUCSZPS-HXUWFJFHSA-N 1 0 314.473 3.582 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846044926 1031838386 /nfs/dbraw/zinc/83/83/86/1031838386.db2.gz UDHMZHLHBFHTOP-YADGQWAMSA-N 1 0 314.473 3.561 20 10 DHCDRO FC1(F)C[C@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000846117185 1031866621 /nfs/dbraw/zinc/86/66/21/1031866621.db2.gz OFHWZGOBUOEVQR-KRWDZBQOSA-N 1 0 306.400 3.908 20 10 DHCDRO CCOc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC000846101391 1031872729 /nfs/dbraw/zinc/87/27/29/1031872729.db2.gz BTKHYRYRVSNZLN-GFCCVEGCSA-N 1 0 318.244 3.855 20 10 DHCDRO CCc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c1 ZINC000846101078 1031876119 /nfs/dbraw/zinc/87/61/19/1031876119.db2.gz YMWPYTFHAOENAY-UHFFFAOYSA-N 1 0 305.805 3.906 20 10 DHCDRO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846148155 1031882657 /nfs/dbraw/zinc/88/26/57/1031882657.db2.gz XRUMQTDCKXXQMY-WDEREUQCSA-N 1 0 306.431 3.832 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1O ZINC000846149328 1031883139 /nfs/dbraw/zinc/88/31/39/1031883139.db2.gz YAEJRDVHUMGCQO-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(F)cc2C)c1O ZINC000846150913 1031883751 /nfs/dbraw/zinc/88/37/51/1031883751.db2.gz SYDCJIFXBVTXJR-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000846155093 1031886279 /nfs/dbraw/zinc/88/62/79/1031886279.db2.gz DLNRIRDKABBXEJ-LSDHHAIUSA-N 1 0 319.445 3.933 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1O ZINC000846150279 1031886425 /nfs/dbraw/zinc/88/64/25/1031886425.db2.gz CSEPXAABAVJREE-XHDPSFHLSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)c1O ZINC000846159527 1031890620 /nfs/dbraw/zinc/89/06/20/1031890620.db2.gz PTRXGAWBRUXCAO-ZDUSSCGKSA-N 1 0 323.433 3.563 20 10 DHCDRO COc1cccc([C@@H](C)Nc2cc(C[NH+](C)C)ccc2C)c1O ZINC000846161286 1031891482 /nfs/dbraw/zinc/89/14/82/1031891482.db2.gz ANEOKRIDQJBNQD-CQSZACIVSA-N 1 0 314.429 3.944 20 10 DHCDRO COCC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161902 1031892200 /nfs/dbraw/zinc/89/22/00/1031892200.db2.gz HEVXSSFSPXBHRY-UKRRQHHQSA-N 1 0 319.401 3.731 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2nc(C)cs2)c1O ZINC000846166390 1031893669 /nfs/dbraw/zinc/89/36/69/1031893669.db2.gz WLEMTEUNJMWVQN-JQWIXIFHSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000846164825 1031894132 /nfs/dbraw/zinc/89/41/32/1031894132.db2.gz RSKQCOVAXMHVLB-VBNZEHGJSA-N 1 0 307.434 3.644 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)c1O ZINC000846165488 1031894149 /nfs/dbraw/zinc/89/41/49/1031894149.db2.gz ZNEHLUNAAPVLLQ-LBPRGKRZSA-N 1 0 318.442 3.896 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000846171100 1031896474 /nfs/dbraw/zinc/89/64/74/1031896474.db2.gz DBKHPVXVJAQMRY-IWEFOYFVSA-N 1 0 301.361 3.689 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1O ZINC000846140929 1031900852 /nfs/dbraw/zinc/90/08/52/1031900852.db2.gz AEIPWZRIEPMYOH-ZBEGNZNMSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2F)c1O ZINC000846142194 1031903030 /nfs/dbraw/zinc/90/30/30/1031903030.db2.gz DCNOYBPLKKLORK-STQMWFEESA-N 1 0 303.377 3.822 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142110 1031903320 /nfs/dbraw/zinc/90/33/20/1031903320.db2.gz XLMFSYMSKAOBBM-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccc(F)cc2)c1O ZINC000846147097 1031906357 /nfs/dbraw/zinc/90/63/57/1031906357.db2.gz STUVGXOYWNDFQG-CHWSQXEVSA-N 1 0 303.377 3.994 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1O ZINC000846145916 1031907826 /nfs/dbraw/zinc/90/78/26/1031907826.db2.gz OPUMUTBPYIYKBI-ZIAGYGMSSA-N 1 0 313.397 3.618 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2OC)c1O ZINC000846146651 1031909587 /nfs/dbraw/zinc/90/95/87/1031909587.db2.gz RVYSZFKUADQMEW-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000846182186 1031917390 /nfs/dbraw/zinc/91/73/90/1031917390.db2.gz ADISXXOSFUQJDE-COLVAYQJSA-N 1 0 301.789 3.756 20 10 DHCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1F ZINC000846184059 1031917807 /nfs/dbraw/zinc/91/78/07/1031917807.db2.gz QICVOLVLOBVQTI-PSVSLLHZSA-N 1 0 323.795 3.957 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c(O)c1C ZINC000846191190 1031924556 /nfs/dbraw/zinc/92/45/56/1031924556.db2.gz WRIXEFBYIMWGOX-RZQQEMMASA-N 1 0 313.441 3.956 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000294471223 1032018527 /nfs/dbraw/zinc/01/85/27/1032018527.db2.gz WQMHWPKAZAFVDX-GFCCVEGCSA-N 1 0 322.355 3.856 20 10 DHCDRO Cc1cccc(O)c1CN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000877469854 1033310103 /nfs/dbraw/zinc/31/01/03/1033310103.db2.gz AKQGRKZMWFMSQK-ZDUSSCGKSA-N 1 0 315.417 3.982 20 10 DHCDRO Cc1cnc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)s1 ZINC000877477736 1033312772 /nfs/dbraw/zinc/31/27/72/1033312772.db2.gz GOWNCZRCIARHET-UHFFFAOYSA-N 1 0 302.443 3.845 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000302742702 1033347825 /nfs/dbraw/zinc/34/78/25/1033347825.db2.gz SCIGYYODNWGGRQ-UHFFFAOYSA-N 1 0 313.401 3.683 20 10 DHCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000877566020 1033360346 /nfs/dbraw/zinc/36/03/46/1033360346.db2.gz UQNVXIPPFRGFTO-UHFFFAOYSA-N 1 0 316.489 3.564 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672368 1033405632 /nfs/dbraw/zinc/40/56/32/1033405632.db2.gz CPRHVIVTDVQTRU-SJORKVTESA-N 1 0 317.816 3.744 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1 ZINC000877683680 1033409783 /nfs/dbraw/zinc/40/97/83/1033409783.db2.gz HKPWURCGTTUHHX-UHFFFAOYSA-N 1 0 307.434 3.617 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000877698112 1033411928 /nfs/dbraw/zinc/41/19/28/1033411928.db2.gz PVSUVVFBWSPJEF-UHFFFAOYSA-N 1 0 317.816 3.717 20 10 DHCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000877699785 1033414022 /nfs/dbraw/zinc/41/40/22/1033414022.db2.gz LUCGKBWDDDJORE-NSHDSACASA-N 1 0 312.369 3.652 20 10 DHCDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757218 1033435052 /nfs/dbraw/zinc/43/50/52/1033435052.db2.gz OWZLDLRCJWVCKN-GJZGRUSLSA-N 1 0 312.413 3.769 20 10 DHCDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757196 1033435433 /nfs/dbraw/zinc/43/54/33/1033435433.db2.gz NGGVEMLNOOMZTC-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO C[C@@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1O ZINC000877756600 1033435585 /nfs/dbraw/zinc/43/55/85/1033435585.db2.gz WXUHBMBKCQIAOL-LLVKDONJSA-N 1 0 313.426 3.830 20 10 DHCDRO Cc1cn2c(nc(C)c2C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000877757359 1033435598 /nfs/dbraw/zinc/43/55/98/1033435598.db2.gz STJVDVKMZSHCIK-NSHDSACASA-N 1 0 301.415 3.569 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877811963 1033459682 /nfs/dbraw/zinc/45/96/82/1033459682.db2.gz DFXNRYFWRMYCPD-CQSZACIVSA-N 1 0 303.324 3.565 20 10 DHCDRO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000877813711 1033464232 /nfs/dbraw/zinc/46/42/32/1033464232.db2.gz OEZMBOIJAOTUSF-CQSZACIVSA-N 1 0 319.449 3.646 20 10 DHCDRO COc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1C ZINC001173043209 1033508235 /nfs/dbraw/zinc/50/82/35/1033508235.db2.gz XQJUJKDTUAPLQK-UHFFFAOYSA-N 1 0 303.446 3.833 20 10 DHCDRO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1O ZINC000927070992 1033522522 /nfs/dbraw/zinc/52/25/22/1033522522.db2.gz RMIAXUITUWNIBT-AEFFLSMTSA-N 1 0 301.434 3.872 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1Cl ZINC000826016418 1033582717 /nfs/dbraw/zinc/58/27/17/1033582717.db2.gz IOUJZYNWOAHNIH-QGZVFWFLSA-N 1 0 311.853 3.585 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173221562 1033603955 /nfs/dbraw/zinc/60/39/55/1033603955.db2.gz NUKCICUILUFEEV-AWEZNQCLSA-N 1 0 314.385 3.633 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(C)nc2C)c1 ZINC000878360167 1033672669 /nfs/dbraw/zinc/67/26/69/1033672669.db2.gz IGXFBZRSCDYQKO-ZDUSSCGKSA-N 1 0 300.402 3.572 20 10 DHCDRO C[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCS1 ZINC000862212093 1033779994 /nfs/dbraw/zinc/77/99/94/1033779994.db2.gz GMNYWQMXVDUDSV-WMZOPIPTSA-N 1 0 321.486 3.659 20 10 DHCDRO CN(C)c1ccc(C[N@H+](Cc2cccc3n[nH]cc32)C2CC2)cc1 ZINC000862218357 1033783595 /nfs/dbraw/zinc/78/35/95/1033783595.db2.gz KIGZFZZJRIYHSN-UHFFFAOYSA-N 1 0 320.440 3.794 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000862435742 1033850134 /nfs/dbraw/zinc/85/01/34/1033850134.db2.gz JWKQMXVDRRKGMS-KRWDZBQOSA-N 1 0 317.816 3.585 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473093 1033863094 /nfs/dbraw/zinc/86/30/94/1033863094.db2.gz DWDFROBROKQPFC-GUDHTMSVSA-N 1 0 302.487 3.736 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473036 1033863825 /nfs/dbraw/zinc/86/38/25/1033863825.db2.gz BFPXTUZSCHQZPF-OLZOCXBDSA-N 1 0 313.850 3.524 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1O ZINC000862528870 1033874122 /nfs/dbraw/zinc/87/41/22/1033874122.db2.gz KVCSFQRPAKEWJE-OKZBNKHCSA-N 1 0 309.409 3.636 20 10 DHCDRO Oc1ccc([C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)cc1 ZINC000862541551 1033881206 /nfs/dbraw/zinc/88/12/06/1033881206.db2.gz WECUDPXBUQHTST-CYBMUJFWSA-N 1 0 303.789 3.741 20 10 DHCDRO CC[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C)cs1 ZINC000174498386 1033939520 /nfs/dbraw/zinc/93/95/20/1033939520.db2.gz SNFICDDFMPJBAI-KRWDZBQOSA-N 1 0 302.443 3.801 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000065430302 1034062501 /nfs/dbraw/zinc/06/25/01/1034062501.db2.gz XAZIJMNZRBYKNR-HNNXBMFYSA-N 1 0 314.404 3.513 20 10 DHCDRO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000863315896 1034062484 /nfs/dbraw/zinc/06/24/84/1034062484.db2.gz HORFMJMRUFDHQY-HNNXBMFYSA-N 1 0 309.425 3.559 20 10 DHCDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649347 1034070154 /nfs/dbraw/zinc/07/01/54/1034070154.db2.gz QRTVMMGPJWWXRT-CHWSQXEVSA-N 1 0 316.376 3.518 20 10 DHCDRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879647851 1034070771 /nfs/dbraw/zinc/07/07/71/1034070771.db2.gz NUJIIVBKMKOPCU-CQSZACIVSA-N 1 0 312.413 3.805 20 10 DHCDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccccc3O)cc(=O)oc2c1C ZINC000879648684 1034071054 /nfs/dbraw/zinc/07/10/54/1034071054.db2.gz ZDDXRIFYXVXFJS-CQSZACIVSA-N 1 0 323.392 3.966 20 10 DHCDRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879653317 1034074140 /nfs/dbraw/zinc/07/41/40/1034074140.db2.gz NUJIIVBKMKOPCU-AWEZNQCLSA-N 1 0 312.413 3.805 20 10 DHCDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000777308241 1034088532 /nfs/dbraw/zinc/08/85/32/1034088532.db2.gz BWXIYSYAIYQLIA-KVSKMBFKSA-N 1 0 304.478 3.997 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)oc3C)CC2)cc1 ZINC000119623715 1034193053 /nfs/dbraw/zinc/19/30/53/1034193053.db2.gz GWAAGEAVPPXFJQ-UHFFFAOYSA-N 1 0 314.429 3.664 20 10 DHCDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cn21 ZINC000178057516 1034205935 /nfs/dbraw/zinc/20/59/35/1034205935.db2.gz QRFZZTDETWAQFD-HNNXBMFYSA-N 1 0 308.429 3.560 20 10 DHCDRO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000119683185 1034215425 /nfs/dbraw/zinc/21/54/25/1034215425.db2.gz WJTFOXYVUKUQQC-GOSISDBHSA-N 1 0 324.468 3.725 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C(C)C ZINC000794647378 1034313714 /nfs/dbraw/zinc/31/37/14/1034313714.db2.gz OYXFFVMKRZQSAW-KUHUBIRLSA-N 1 0 303.446 3.823 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000179574108 1034317530 /nfs/dbraw/zinc/31/75/30/1034317530.db2.gz OBFUBUXEKQIJPU-UHFFFAOYSA-N 1 0 311.425 3.821 20 10 DHCDRO CCOCc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC ZINC000179802870 1034336242 /nfs/dbraw/zinc/33/62/42/1034336242.db2.gz JNLOEHNZTFRYTC-UHFFFAOYSA-N 1 0 315.413 3.569 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(N2CCCC2=O)c1 ZINC000183451454 1034388559 /nfs/dbraw/zinc/38/85/59/1034388559.db2.gz QLSUPKGLXCKYPC-HUUCEWRRSA-N 1 0 324.424 3.931 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794791262 1034463436 /nfs/dbraw/zinc/46/34/36/1034463436.db2.gz HHNBCWVRMZXRBF-SFHVURJKSA-N 1 0 315.413 3.829 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000794797853 1034470229 /nfs/dbraw/zinc/47/02/29/1034470229.db2.gz QIUUPANSYYDWRQ-SFHVURJKSA-N 1 0 312.413 3.900 20 10 DHCDRO CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C)cc1O ZINC000794798253 1034470954 /nfs/dbraw/zinc/47/09/54/1034470954.db2.gz UIIPJBSBXFAYFZ-KRWDZBQOSA-N 1 0 318.461 3.580 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C)cc1O ZINC000794804206 1034486475 /nfs/dbraw/zinc/48/64/75/1034486475.db2.gz TZFMQZFZSSOCMJ-INIZCTEOSA-N 1 0 314.385 3.892 20 10 DHCDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C)cc1O ZINC000794804208 1034486854 /nfs/dbraw/zinc/48/68/54/1034486854.db2.gz TZFMQZFZSSOCMJ-MRXNPFEDSA-N 1 0 314.385 3.892 20 10 DHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000184744936 1034498203 /nfs/dbraw/zinc/49/82/03/1034498203.db2.gz YSZUCKOHCDNIIS-NSHDSACASA-N 1 0 306.793 3.642 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884655 1034506442 /nfs/dbraw/zinc/50/64/42/1034506442.db2.gz OUYQHHNMBZNIIX-GJZGRUSLSA-N 1 0 322.412 3.693 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000184918534 1034511621 /nfs/dbraw/zinc/51/16/21/1034511621.db2.gz HYVRLZVELMXIKO-MGPLVRAMSA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000184944295 1034515098 /nfs/dbraw/zinc/51/50/98/1034515098.db2.gz ODVIQVPHGKWQOL-MGPLVRAMSA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c(O)c1 ZINC000184973484 1034515518 /nfs/dbraw/zinc/51/55/18/1034515518.db2.gz VLIFICFBSPDAAR-HNNXBMFYSA-N 1 0 311.429 3.547 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794813022 1034520684 /nfs/dbraw/zinc/52/06/84/1034520684.db2.gz ARXYTCSGYVTNIO-SNRMKQJTSA-N 1 0 313.441 3.733 20 10 DHCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000185010089 1034522905 /nfs/dbraw/zinc/52/29/05/1034522905.db2.gz HDQMUVALWLYTMF-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C)cc1O ZINC000794814763 1034525684 /nfs/dbraw/zinc/52/56/84/1034525684.db2.gz IMRYFUHXAINBCW-VGOFRKELSA-N 1 0 317.454 3.679 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000185085401 1034526217 /nfs/dbraw/zinc/52/62/17/1034526217.db2.gz VHMNNJYSBFZBHG-OAHLLOKOSA-N 1 0 313.445 3.793 20 10 DHCDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185119493 1034529962 /nfs/dbraw/zinc/52/99/62/1034529962.db2.gz ZJWDPYREIOLPGY-RYUDHWBXSA-N 1 0 305.805 3.950 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817140 1034534849 /nfs/dbraw/zinc/53/48/49/1034534849.db2.gz PKLNUVMHKGSZBY-IEBWSBKVSA-N 1 0 317.404 3.788 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccnc1 ZINC000185232299 1034534955 /nfs/dbraw/zinc/53/49/55/1034534955.db2.gz ZURFYUHNUHRDIS-QGZVFWFLSA-N 1 0 301.409 3.918 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1O ZINC000185232658 1034536212 /nfs/dbraw/zinc/53/62/12/1034536212.db2.gz HJLKOVMZKSIRPV-NSHDSACASA-N 1 0 306.356 3.587 20 10 DHCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185501194 1034551105 /nfs/dbraw/zinc/55/11/05/1034551105.db2.gz KIAAKSXOPVQQNN-UWVGGRQHSA-N 1 0 308.809 3.932 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2cccs2)c1 ZINC000185839754 1034580233 /nfs/dbraw/zinc/58/02/33/1034580233.db2.gz PBGDQWPWDJUWQK-BFQNTYOBSA-N 1 0 321.442 3.625 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185840641 1034580915 /nfs/dbraw/zinc/58/09/15/1034580915.db2.gz KEXDXIKBPLYUFZ-ZETOZRRWSA-N 1 0 309.406 3.756 20 10 DHCDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(Br)cc1O ZINC000185979237 1034590569 /nfs/dbraw/zinc/59/05/69/1034590569.db2.gz MDQSEBOZVQWAGZ-VIFPVBQESA-N 1 0 316.264 3.701 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1O ZINC000186355236 1034623901 /nfs/dbraw/zinc/62/39/01/1034623901.db2.gz PLYMYSPTHOBIDY-KVPRVUCYSA-N 1 0 305.393 3.530 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120545246 1034633857 /nfs/dbraw/zinc/63/38/57/1034633857.db2.gz QGXRZPLWZIOYLL-MRXNPFEDSA-N 1 0 317.454 3.943 20 10 DHCDRO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532536 1034637807 /nfs/dbraw/zinc/63/78/07/1034637807.db2.gz STYNFEHZFOXTNF-SUMWQHHRSA-N 1 0 315.413 3.638 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534095 1034638063 /nfs/dbraw/zinc/63/80/63/1034638063.db2.gz HVSSIWUCVFZPPO-IRXDYDNUSA-N 1 0 302.418 3.510 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518304 1034639357 /nfs/dbraw/zinc/63/93/57/1034639357.db2.gz UGACFSIQHDCTFH-RBSFLKMASA-N 1 0 320.452 3.835 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(Cl)c(F)c3)ccc21 ZINC000865437238 1034646144 /nfs/dbraw/zinc/64/61/44/1034646144.db2.gz DDVKUYDBQASATB-UHFFFAOYSA-N 1 0 319.811 3.546 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794841123 1034672505 /nfs/dbraw/zinc/67/25/05/1034672505.db2.gz LWLUQESLARVCDE-PMPSAXMXSA-N 1 0 320.452 3.749 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187768612 1034730867 /nfs/dbraw/zinc/73/08/67/1034730867.db2.gz OEYXPBXTCKUAIC-LLVKDONJSA-N 1 0 312.404 3.584 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCc2nc(C)cs2)cc1C ZINC001177226628 1035358411 /nfs/dbraw/zinc/35/84/11/1035358411.db2.gz RYBRPDLTCKTRLV-UHFFFAOYSA-N 1 0 304.459 3.881 20 10 DHCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001206297666 1035361321 /nfs/dbraw/zinc/36/13/21/1035361321.db2.gz ZRNXFJBXNVACRX-HNNXBMFYSA-N 1 0 317.260 3.650 20 10 DHCDRO CCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001177374876 1035365496 /nfs/dbraw/zinc/36/54/96/1035365496.db2.gz VGKCTKVVGMMHRZ-UHFFFAOYSA-N 1 0 309.457 3.613 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCN(C)Cc2ccccc2)c(Cl)c1 ZINC001177476056 1035371486 /nfs/dbraw/zinc/37/14/86/1035371486.db2.gz WOUCKZPRTSLFCF-UHFFFAOYSA-N 1 0 318.848 3.576 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1C ZINC001177483324 1035372614 /nfs/dbraw/zinc/37/26/14/1035372614.db2.gz MVSRULMFMVQKFE-AZUAARDMSA-N 1 0 311.425 3.532 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1F ZINC001177651478 1035387324 /nfs/dbraw/zinc/38/73/24/1035387324.db2.gz YCVCLSONSUWUNM-KRWDZBQOSA-N 1 0 302.368 3.808 20 10 DHCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177737410 1035390536 /nfs/dbraw/zinc/39/05/36/1035390536.db2.gz OLWZCRIUOCUCTP-INIZCTEOSA-N 1 0 310.441 3.713 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CCCNc2ccccc2)cc1F ZINC001177905861 1035398053 /nfs/dbraw/zinc/39/80/53/1035398053.db2.gz ULEZPVSWVVVNES-UHFFFAOYSA-N 1 0 319.399 3.623 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1F ZINC001177928934 1035400250 /nfs/dbraw/zinc/40/02/50/1035400250.db2.gz RFSBFYIWJOEXFF-HKUYNNGSSA-N 1 0 322.468 3.965 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cccc(C)c2)cc1 ZINC001178139366 1035410666 /nfs/dbraw/zinc/41/06/66/1035410666.db2.gz UDSHAIYEMUJABF-FQEVSTJZSA-N 1 0 312.457 3.664 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2cnc(C)s2)cc1 ZINC001178244858 1035416098 /nfs/dbraw/zinc/41/60/98/1035416098.db2.gz VCLZLZCKRYDATI-UHFFFAOYSA-N 1 0 303.475 3.630 20 10 DHCDRO O[C@H](c1ccccc1)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001178272081 1035419899 /nfs/dbraw/zinc/41/98/99/1035419899.db2.gz BYWWVDFCTMUREV-HXUWFJFHSA-N 1 0 323.436 3.615 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC001178321663 1035423309 /nfs/dbraw/zinc/42/33/09/1035423309.db2.gz IXSGZOIBNLDTKY-HNNXBMFYSA-N 1 0 314.473 3.765 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000773795186 1035462290 /nfs/dbraw/zinc/46/22/90/1035462290.db2.gz NDUZEONJJRHCAR-UHFFFAOYSA-N 1 0 309.457 3.917 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)C[C@H]3C)C2)cc1 ZINC001179128975 1035466216 /nfs/dbraw/zinc/46/62/16/1035466216.db2.gz KBOMOCOMHWOBFB-VKJFTORMSA-N 1 0 302.462 3.688 20 10 DHCDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC001179139434 1035466483 /nfs/dbraw/zinc/46/64/83/1035466483.db2.gz HFLBZZFQPHLVBW-INIZCTEOSA-N 1 0 321.484 3.634 20 10 DHCDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000195287447 1035522314 /nfs/dbraw/zinc/52/23/14/1035522314.db2.gz VRKALUWZLODBEK-GFCCVEGCSA-N 1 0 315.486 3.993 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c1 ZINC001180593865 1035727470 /nfs/dbraw/zinc/72/74/70/1035727470.db2.gz PORPVVQBTLIEOS-FQEVSTJZSA-N 1 0 311.425 3.998 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@@H](C)CC ZINC001193840259 1035735469 /nfs/dbraw/zinc/73/54/69/1035735469.db2.gz YAEAEGWPTSHGPC-WMLDXEAASA-N 1 0 307.434 3.582 20 10 DHCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1 ZINC001204280608 1035757633 /nfs/dbraw/zinc/75/76/33/1035757633.db2.gz LJZUSAGZEPHZNK-MRXNPFEDSA-N 1 0 305.324 3.713 20 10 DHCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205651216 1035760447 /nfs/dbraw/zinc/76/04/47/1035760447.db2.gz BBSJXVIJUKZSCS-WDEREUQCSA-N 1 0 317.260 3.506 20 10 DHCDRO Cc1ccc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)cc1 ZINC000775633874 1036125289 /nfs/dbraw/zinc/12/52/89/1036125289.db2.gz MNGLTSYVYPEJCJ-UHFFFAOYSA-N 1 0 310.441 3.721 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC001182298688 1036192592 /nfs/dbraw/zinc/19/25/92/1036192592.db2.gz PLCURLCEKLAVOU-OAHLLOKOSA-N 1 0 307.434 3.858 20 10 DHCDRO CSC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000312255470 1036235610 /nfs/dbraw/zinc/23/56/10/1036235610.db2.gz LCJLKTBBEWLXRU-UHFFFAOYSA-N 1 0 313.850 3.576 20 10 DHCDRO CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775651937 1036244801 /nfs/dbraw/zinc/24/48/01/1036244801.db2.gz CYTDGCIOUQOZGT-UHFFFAOYSA-N 1 0 324.896 3.908 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)CCCOc2ccccc2C)c1 ZINC000775658003 1036277134 /nfs/dbraw/zinc/27/71/34/1036277134.db2.gz KNRZVFBPLWUMMU-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)c2c1c(F)ccc2O ZINC000774380184 1036307585 /nfs/dbraw/zinc/30/75/85/1036307585.db2.gz RKRJSRSJQHPBNV-XNRPHZJLSA-N 1 0 318.436 3.686 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000774400336 1036319588 /nfs/dbraw/zinc/31/95/88/1036319588.db2.gz UENHCPWMIDNVKR-DRZCJDIDSA-N 1 0 319.351 3.542 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000775680405 1036409401 /nfs/dbraw/zinc/40/94/01/1036409401.db2.gz BYHJYVKWAPAOKH-AWEZNQCLSA-N 1 0 301.361 3.529 20 10 DHCDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000775698701 1036474104 /nfs/dbraw/zinc/47/41/04/1036474104.db2.gz QXYSAAGPTUCXOR-INIZCTEOSA-N 1 0 323.795 3.740 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+]CCCc2ccco2)c1O ZINC001183075629 1036506140 /nfs/dbraw/zinc/50/61/40/1036506140.db2.gz WWZLXFUPNPPTBM-UHFFFAOYSA-N 1 0 324.218 3.779 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)cc3)CC2)cc1 ZINC000102432880 1036516166 /nfs/dbraw/zinc/51/61/66/1036516166.db2.gz JHMSUQPWLDXHRK-UHFFFAOYSA-N 1 0 310.441 3.762 20 10 DHCDRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000102424899 1036516183 /nfs/dbraw/zinc/51/61/83/1036516183.db2.gz RVAIGIJHANOXGV-MOTZXUDYSA-N 1 0 322.452 3.887 20 10 DHCDRO CC[N@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775725066 1036566608 /nfs/dbraw/zinc/56/66/08/1036566608.db2.gz GRYZTLUSZLXWNN-UHFFFAOYSA-N 1 0 314.813 3.706 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1O ZINC000775737516 1036585029 /nfs/dbraw/zinc/58/50/29/1036585029.db2.gz JFEIEHSBRWJTDI-HNNXBMFYSA-N 1 0 319.445 3.644 20 10 DHCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccccc1O ZINC001197004109 1036667486 /nfs/dbraw/zinc/66/74/86/1036667486.db2.gz NMMSEGQOMJJJFD-CQSZACIVSA-N 1 0 320.392 3.835 20 10 DHCDRO CCc1cccc(C[NH2+]Cc2ccc(-c3cnco3)cc2)c1O ZINC001184154278 1036749390 /nfs/dbraw/zinc/74/93/90/1036749390.db2.gz QRMWDXGBPWNUKU-UHFFFAOYSA-N 1 0 308.381 3.899 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000103854973 1036763075 /nfs/dbraw/zinc/76/30/75/1036763075.db2.gz BPTRAKQZPQFDBD-LJQANCHMSA-N 1 0 310.441 3.627 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1F ZINC000152032907 1036808311 /nfs/dbraw/zinc/80/83/11/1036808311.db2.gz WXORCELFTJLLIJ-AWEZNQCLSA-N 1 0 301.409 3.918 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)ccc1N(C)C ZINC001197629076 1036811766 /nfs/dbraw/zinc/81/17/66/1036811766.db2.gz AYLGMRMYCJRHBQ-QGZVFWFLSA-N 1 0 304.478 3.841 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)cc1C(C)C ZINC000152098882 1036877492 /nfs/dbraw/zinc/87/74/92/1036877492.db2.gz FWVFDQDYHSTNSN-UHFFFAOYSA-N 1 0 313.445 3.858 20 10 DHCDRO C[C@H](NCc1ncc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775831114 1036970841 /nfs/dbraw/zinc/97/08/41/1036970841.db2.gz POUHIBDINDIWBL-ZDUSSCGKSA-N 1 0 301.434 3.889 20 10 DHCDRO C[C@H](NCc1nc2cc(F)ccc2o1)c1ccc(N(C)C)cc1 ZINC000775832725 1036985802 /nfs/dbraw/zinc/98/58/02/1036985802.db2.gz AULRYMHXWDBMJF-LBPRGKRZSA-N 1 0 313.376 3.884 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000775845049 1037004963 /nfs/dbraw/zinc/00/49/63/1037004963.db2.gz PNHBDDXVCMAYID-UHFFFAOYSA-N 1 0 311.303 3.889 20 10 DHCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000774831764 1037042312 /nfs/dbraw/zinc/04/23/12/1037042312.db2.gz IZIBRKYLKIZKGH-PKOBYXMFSA-N 1 0 302.462 3.582 20 10 DHCDRO CCc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000915789516 1037185927 /nfs/dbraw/zinc/18/59/27/1037185927.db2.gz HJRDITSGJSIKLA-KBPBESRZSA-N 1 0 305.462 3.861 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCOCc2ccccc2)cc1F ZINC001199045746 1037187164 /nfs/dbraw/zinc/18/71/64/1037187164.db2.gz RGSIXFPRDOSACS-UHFFFAOYSA-N 1 0 316.420 3.588 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(Br)cc1O ZINC000842929642 1037238085 /nfs/dbraw/zinc/23/80/85/1037238085.db2.gz PFKMODLPHRJIOE-SBMIAAHKSA-N 1 0 316.264 3.699 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000776014249 1037298177 /nfs/dbraw/zinc/29/81/77/1037298177.db2.gz QQNQWGWHDSWUSP-GXFFZTMASA-N 1 0 303.324 3.564 20 10 DHCDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776013176 1037298443 /nfs/dbraw/zinc/29/84/43/1037298443.db2.gz LAINGGNPSGNZGW-SWLSCSKDSA-N 1 0 300.368 3.915 20 10 DHCDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccccc2O)cc1F ZINC000761504915 1037339680 /nfs/dbraw/zinc/33/96/80/1037339680.db2.gz AOOLGGPXLZMKEA-CQSZACIVSA-N 1 0 317.404 3.851 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203636134 1037365699 /nfs/dbraw/zinc/36/56/99/1037365699.db2.gz PRBNYZOYBROSGU-NWDGAFQWSA-N 1 0 310.235 3.777 20 10 DHCDRO COc1c([O-])c(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775033245 1037443561 /nfs/dbraw/zinc/44/35/61/1037443561.db2.gz NVTZUXOCLTUMCD-DGCLKSJQSA-N 1 0 322.405 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccccc1O ZINC000156075373 1037457596 /nfs/dbraw/zinc/45/75/96/1037457596.db2.gz RERXDGCSHWSCDT-KBXCAEBGSA-N 1 0 315.413 3.909 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000152633244 1037471923 /nfs/dbraw/zinc/47/19/23/1037471923.db2.gz XAVKBEDHLOYSPQ-MRXNPFEDSA-N 1 0 303.494 3.668 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC(C)(C)[C@@H]3C)c2c1 ZINC000763213908 1037487521 /nfs/dbraw/zinc/48/75/21/1037487521.db2.gz VVXPKRQZEOBABP-ZDUSSCGKSA-N 1 0 315.413 3.553 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2-n2cccn2)cc1 ZINC000155177643 1037526263 /nfs/dbraw/zinc/52/62/63/1037526263.db2.gz LMCADTKPMXVWCJ-UHFFFAOYSA-N 1 0 320.440 3.570 20 10 DHCDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000152752388 1037560024 /nfs/dbraw/zinc/56/00/24/1037560024.db2.gz HWDPTWQYYOICHB-UHFFFAOYSA-N 1 0 323.339 3.600 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000776175747 1037677744 /nfs/dbraw/zinc/67/77/44/1037677744.db2.gz ZNUDEYUMNAHNTF-KBPBESRZSA-N 1 0 307.434 3.715 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000775136792 1037688928 /nfs/dbraw/zinc/68/89/28/1037688928.db2.gz LTUQUKXKPGRKRN-NSHDSACASA-N 1 0 303.324 3.565 20 10 DHCDRO CCCN(Cc1ccc(OC)cc1OC)c1ccc(C[NH3+])cc1 ZINC000775141012 1037709922 /nfs/dbraw/zinc/70/99/22/1037709922.db2.gz SZADQEAUCBUDNT-UHFFFAOYSA-N 1 0 314.429 3.579 20 10 DHCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151182248 1037751627 /nfs/dbraw/zinc/75/16/27/1037751627.db2.gz KPADLYCHPHCECC-AEFFLSMTSA-N 1 0 304.478 3.735 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 ZINC000775175584 1037910996 /nfs/dbraw/zinc/91/09/96/1037910996.db2.gz GIJKYHQKGWGCCD-UHFFFAOYSA-N 1 0 320.452 3.673 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000775173381 1037911091 /nfs/dbraw/zinc/91/10/91/1037911091.db2.gz QTGOOWHEDDIYJC-MRXNPFEDSA-N 1 0 317.816 3.707 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000776219388 1037919758 /nfs/dbraw/zinc/91/97/58/1037919758.db2.gz GIYYFSCIVZCDBQ-INIZCTEOSA-N 1 0 305.805 3.831 20 10 DHCDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000776219389 1037921793 /nfs/dbraw/zinc/92/17/93/1037921793.db2.gz GIYYFSCIVZCDBQ-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccc(F)cc1 ZINC000776221534 1037923868 /nfs/dbraw/zinc/92/38/68/1037923868.db2.gz WMIYOKVKAVUKBL-LLVKDONJSA-N 1 0 309.768 3.742 20 10 DHCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000775203040 1038002265 /nfs/dbraw/zinc/00/22/65/1038002265.db2.gz JANIWIJMVTWKHK-SFHVURJKSA-N 1 0 307.434 3.572 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1O ZINC000776253219 1038072388 /nfs/dbraw/zinc/07/23/88/1038072388.db2.gz LDAUBQJIRYYSFF-UHFFFAOYSA-N 1 0 300.402 3.563 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000776253673 1038074157 /nfs/dbraw/zinc/07/41/57/1038074157.db2.gz NRNPJNAHZTZIET-QGZVFWFLSA-N 1 0 316.832 3.630 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC001202184639 1038086107 /nfs/dbraw/zinc/08/61/07/1038086107.db2.gz RYCOCLHLZKHZGR-QGZVFWFLSA-N 1 0 314.473 3.765 20 10 DHCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000691682284 1038121284 /nfs/dbraw/zinc/12/12/84/1038121284.db2.gz OZPKKVQMHYXIAP-LLVKDONJSA-N 1 0 316.214 3.726 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000775368644 1038276804 /nfs/dbraw/zinc/27/68/04/1038276804.db2.gz CGZUHYPWWIQYCY-ZDUSSCGKSA-N 1 0 324.380 3.907 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000157039916 1038488370 /nfs/dbraw/zinc/48/83/70/1038488370.db2.gz OCVYBWOVVBYDIR-ZBFHGGJFSA-N 1 0 305.418 3.509 20 10 DHCDRO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775486747 1038555372 /nfs/dbraw/zinc/55/53/72/1038555372.db2.gz GTDFRNPSORWJAG-INIZCTEOSA-N 1 0 321.852 3.679 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775489711 1038564454 /nfs/dbraw/zinc/56/44/54/1038564454.db2.gz QRGDYGBGNZXMDH-NVXWUHKLSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCc1c(C)noc1C)c1cc(Cl)ccc1O ZINC000775502134 1038592623 /nfs/dbraw/zinc/59/26/23/1038592623.db2.gz OGGVXZDWLVTTPC-HNNXBMFYSA-N 1 0 308.809 3.934 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000775507110 1038597687 /nfs/dbraw/zinc/59/76/87/1038597687.db2.gz ISFOIHLAPSLQGQ-CYBMUJFWSA-N 1 0 303.837 3.960 20 10 DHCDRO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000775510046 1038601560 /nfs/dbraw/zinc/60/15/60/1038601560.db2.gz USPQJKGNALXAER-CYBMUJFWSA-N 1 0 313.825 3.818 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1O ZINC000775514409 1038610239 /nfs/dbraw/zinc/61/02/39/1038610239.db2.gz ZVQCKIXQOFRKHY-WCQYABFASA-N 1 0 317.907 3.935 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000775523061 1038628229 /nfs/dbraw/zinc/62/82/29/1038628229.db2.gz FJPCDWMOGPLXPJ-CQSZACIVSA-N 1 0 313.376 3.659 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H](C(C)C)C3CC3)CC2)cc1 ZINC000157447741 1038980928 /nfs/dbraw/zinc/98/09/28/1038980928.db2.gz MJFKNHAWKOWINT-IBGZPJMESA-N 1 0 302.462 3.688 20 10 DHCDRO CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760896621 1039039273 /nfs/dbraw/zinc/03/92/73/1039039273.db2.gz HIHKIHBKKHEVFE-SFHVURJKSA-N 1 0 322.456 3.880 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000172193926 1039771341 /nfs/dbraw/zinc/77/13/41/1039771341.db2.gz WBQPYILTSATUGC-UHFFFAOYSA-N 1 0 312.413 3.741 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1O ZINC000230934565 1040060138 /nfs/dbraw/zinc/06/01/38/1040060138.db2.gz QTSLUNVYOQKTOX-QWHCGFSZSA-N 1 0 315.866 3.818 20 10 DHCDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1ccccc1O)C(C)(C)C ZINC000230976865 1040077277 /nfs/dbraw/zinc/07/72/77/1040077277.db2.gz ZIZOYYKRIRRJOY-UHFFFAOYSA-N 1 0 322.449 3.517 20 10 DHCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)C(C)(C)C ZINC000227120962 1040088189 /nfs/dbraw/zinc/08/81/89/1040088189.db2.gz VPLWSQHFUDLYMF-SNVBAGLBSA-N 1 0 300.240 3.927 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000174480920 1040646974 /nfs/dbraw/zinc/64/69/74/1040646974.db2.gz RFQLESJGSWXVEG-MRXNPFEDSA-N 1 0 303.402 3.642 20 10 DHCDRO CN(Cc1cc(F)cc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761224335 1040818176 /nfs/dbraw/zinc/81/81/76/1040818176.db2.gz WWMHWDADPWJFBU-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761226338 1040823940 /nfs/dbraw/zinc/82/39/40/1040823940.db2.gz OXVPRTZXWKAJOX-UHFFFAOYSA-N 1 0 314.473 3.679 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000093315651 193229717 /nfs/dbraw/zinc/22/97/17/193229717.db2.gz TYYZUKYYSNVFAJ-ZDUSSCGKSA-N 1 0 301.386 3.690 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c(C)s1 ZINC000042880030 183316575 /nfs/dbraw/zinc/31/65/75/183316575.db2.gz HZDOSJKHJVXPDO-JTQLQIEISA-N 1 0 305.399 3.650 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)c(O)c1 ZINC000105461255 194105160 /nfs/dbraw/zinc/10/51/60/194105160.db2.gz DQLXBEUBDCQGFP-ZDUSSCGKSA-N 1 0 301.386 3.737 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000272306720 130018944 /nfs/dbraw/zinc/01/89/44/130018944.db2.gz OFOUPCICCXGDFZ-MRXNPFEDSA-N 1 0 303.402 3.778 20 10 DHCDRO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000272914181 130074265 /nfs/dbraw/zinc/07/42/65/130074265.db2.gz WZUKCHDOGWYWTC-JTQLQIEISA-N 1 0 311.303 3.984 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000273365950 130112501 /nfs/dbraw/zinc/11/25/01/130112501.db2.gz FCDGJBMAJHVBQI-YGRLFVJLSA-N 1 0 305.809 3.507 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000273365946 130112860 /nfs/dbraw/zinc/11/28/60/130112860.db2.gz FCDGJBMAJHVBQI-IINYFYTJSA-N 1 0 305.809 3.507 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273373659 130114966 /nfs/dbraw/zinc/11/49/66/130114966.db2.gz GRSQPGJUMMJNAA-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1C ZINC000273386954 130116295 /nfs/dbraw/zinc/11/62/95/130116295.db2.gz JSGHDPPJZQFBAB-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000273390353 130116310 /nfs/dbraw/zinc/11/63/10/130116310.db2.gz KOIHEQSAVPJKNF-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO COCC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421312 130118448 /nfs/dbraw/zinc/11/84/48/130118448.db2.gz JIWYFCCHXKOVAE-BBRMVZONSA-N 1 0 319.401 3.731 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273449250 130123502 /nfs/dbraw/zinc/12/35/02/130123502.db2.gz FRCQZWBXELFEMP-CYBMUJFWSA-N 1 0 300.358 3.502 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c(O)c1C ZINC000273449314 130123729 /nfs/dbraw/zinc/12/37/29/130123729.db2.gz FSTCXVMMTOIDIG-KSMMKXTCSA-N 1 0 317.404 3.921 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000273506839 130130452 /nfs/dbraw/zinc/13/04/52/130130452.db2.gz RBTWRSOITUUTSX-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000273532138 130133202 /nfs/dbraw/zinc/13/32/02/130133202.db2.gz WQSIJIBVARVPII-AWEZNQCLSA-N 1 0 313.397 3.713 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273532202 130134141 /nfs/dbraw/zinc/13/41/41/130134141.db2.gz WRQGGUPRQUMEHZ-ILXRZTDVSA-N 1 0 303.446 3.737 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563838 130136377 /nfs/dbraw/zinc/13/63/77/130136377.db2.gz IVZPOJOTDOYPMB-GDBMZVCRSA-N 1 0 303.402 3.949 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1C ZINC000273565262 130136605 /nfs/dbraw/zinc/13/66/05/130136605.db2.gz JGCZEQFMLCOQLV-CXAGYDPISA-N 1 0 305.443 3.629 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)cc1O ZINC000273605168 130144402 /nfs/dbraw/zinc/14/44/02/130144402.db2.gz TWWJIJCHXIGRMF-ONGXEEELSA-N 1 0 316.264 3.701 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)ccc1O ZINC000273618457 130145687 /nfs/dbraw/zinc/14/56/87/130145687.db2.gz YJIFWPWHGBHVID-DTWKUNHWSA-N 1 0 311.731 3.664 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCSC2)c1O ZINC000275158276 130295906 /nfs/dbraw/zinc/29/59/06/130295906.db2.gz AAOIKRLMQYYGAT-KOLCDFICSA-N 1 0 316.264 3.619 20 10 DHCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284033399 131042616 /nfs/dbraw/zinc/04/26/16/131042616.db2.gz JJTRXYXGCSYJQW-OAHLLOKOSA-N 1 0 301.434 3.645 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284252398 131064521 /nfs/dbraw/zinc/06/45/21/131064521.db2.gz FTKXDJJFWCDLKG-LLVKDONJSA-N 1 0 308.328 3.548 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1 ZINC000284297336 131067635 /nfs/dbraw/zinc/06/76/35/131067635.db2.gz YMDTZEOXXMHDKS-DYVFJYSZSA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c(O)c1 ZINC000284361159 131073394 /nfs/dbraw/zinc/07/33/94/131073394.db2.gz MZJFTFYTUVINFA-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1nc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)sc1C ZINC000284949500 131125950 /nfs/dbraw/zinc/12/59/50/131125950.db2.gz FBIODYUTKZKNLD-ZDUSSCGKSA-N 1 0 304.459 3.976 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285458898 131170249 /nfs/dbraw/zinc/17/02/49/131170249.db2.gz AFGSSALFJXUOKY-GOSISDBHSA-N 1 0 312.461 3.887 20 10 DHCDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000286939553 131256457 /nfs/dbraw/zinc/25/64/57/131256457.db2.gz GTXPJZGRMKCMHK-ZBEGNZNMSA-N 1 0 323.795 3.959 20 10 DHCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000286954729 131257511 /nfs/dbraw/zinc/25/75/11/131257511.db2.gz HORFEYYKHAGJOP-MRXNPFEDSA-N 1 0 300.446 3.674 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1O ZINC000289548850 131395571 /nfs/dbraw/zinc/39/55/71/131395571.db2.gz XOBVMENDOXPLRK-UHFFFAOYSA-N 1 0 311.303 3.709 20 10 DHCDRO COc1ccc(Cl)cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297698100 132029646 /nfs/dbraw/zinc/02/96/46/132029646.db2.gz MFMJZIBVBOMBPI-AWEZNQCLSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550947 134647700 /nfs/dbraw/zinc/64/77/00/134647700.db2.gz NUWGKHHGHUJIKS-ZBFHGGJFSA-N 1 0 306.425 3.646 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1 ZINC000293898644 335115459 /nfs/dbraw/zinc/11/54/59/335115459.db2.gz WINRCNQGFRKZSL-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634411 333211184 /nfs/dbraw/zinc/21/11/84/333211184.db2.gz BWZWCPMYGZEJKZ-CQSZACIVSA-N 1 0 320.452 3.979 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000294986477 335129611 /nfs/dbraw/zinc/12/96/11/335129611.db2.gz KFFGXSSTJZIFCK-WCQYABFASA-N 1 0 317.351 3.954 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3occc32)c1O ZINC000184706068 333365356 /nfs/dbraw/zinc/36/53/56/333365356.db2.gz OYRIUNFQLGBTOG-CYBMUJFWSA-N 1 0 307.777 3.814 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000295956822 335138809 /nfs/dbraw/zinc/13/88/09/335138809.db2.gz HPIZBHRZXNHLHZ-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296636443 335145033 /nfs/dbraw/zinc/14/50/33/335145033.db2.gz BTKGIDUCVMVHOC-SJORKVTESA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(C)cc1O ZINC000296348965 334232771 /nfs/dbraw/zinc/23/27/71/334232771.db2.gz IEWVOGDGOHYZGW-HNNXBMFYSA-N 1 0 320.820 3.999 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367259805 336582589 /nfs/dbraw/zinc/58/25/89/336582589.db2.gz KOKBKCSASUZRSG-GOSISDBHSA-N 1 0 302.462 3.582 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)ccc21 ZINC000367621002 336826791 /nfs/dbraw/zinc/82/67/91/336826791.db2.gz RPMHIPUAJOYXTD-LJQANCHMSA-N 1 0 324.472 3.813 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000368325412 336842361 /nfs/dbraw/zinc/84/23/61/336842361.db2.gz AETDORCMHKYTCJ-BBRMVZONSA-N 1 0 313.397 3.884 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)c1cc(F)ccc1O ZINC000368582108 336848457 /nfs/dbraw/zinc/84/84/57/336848457.db2.gz DTEBVKXDXWXRIN-GBNMTWHSSA-N 1 0 305.324 3.843 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCCS3)CC2)cc1 ZINC000120440211 336912032 /nfs/dbraw/zinc/91/20/32/336912032.db2.gz RBRRRBUEBXARQP-SFHVURJKSA-N 1 0 320.502 3.539 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1C ZINC000372588473 336934911 /nfs/dbraw/zinc/93/49/11/336934911.db2.gz BNYIFXNHXVVSSL-MRXNPFEDSA-N 1 0 301.361 3.762 20 10 DHCDRO COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000373267459 336954925 /nfs/dbraw/zinc/95/49/25/336954925.db2.gz KXDDRUCOOJBGQP-CZUORRHYSA-N 1 0 313.397 3.884 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374472964 336990079 /nfs/dbraw/zinc/99/00/79/336990079.db2.gz SBZAHRLYLGJERO-KSSFIOAISA-N 1 0 317.816 3.913 20 10 DHCDRO CN1CCc2cc(C[NH2+][C@H]3CCCc4ccc(O)cc43)ccc21 ZINC000375068517 337002488 /nfs/dbraw/zinc/00/24/88/337002488.db2.gz CXOCUWBGVWRPFF-IBGZPJMESA-N 1 0 308.425 3.552 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1 ZINC000375531016 337012995 /nfs/dbraw/zinc/01/29/95/337012995.db2.gz YQSVPCQJJPXCPG-SCTDSRPQSA-N 1 0 303.446 3.606 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1F ZINC000375862865 337021694 /nfs/dbraw/zinc/02/16/94/337021694.db2.gz UMMREYLOMZFTAT-MRXNPFEDSA-N 1 0 316.424 3.562 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1cc(Cl)ccc1O ZINC000376952909 337043983 /nfs/dbraw/zinc/04/39/83/337043983.db2.gz BVKDNUXEFZQFQA-XWCIJXRUSA-N 1 0 317.816 3.917 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000377398065 337051833 /nfs/dbraw/zinc/05/18/33/337051833.db2.gz LLDPSXSRFFMCJA-ADLMAVQZSA-N 1 0 317.360 3.542 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189930267 337283954 /nfs/dbraw/zinc/28/39/54/337283954.db2.gz JVWLPVVQBQNVPB-OAHLLOKOSA-N 1 0 318.442 3.893 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000572460790 337662716 /nfs/dbraw/zinc/66/27/16/337662716.db2.gz GPGPUBYJNLUQEE-UHFFFAOYSA-N 1 0 305.425 3.660 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1O ZINC000528007324 337783091 /nfs/dbraw/zinc/78/30/91/337783091.db2.gz ZCSSLJZMFDYFAQ-ZWKOTPCHSA-N 1 0 324.424 3.568 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C2CC2)cn1 ZINC000528043819 337785556 /nfs/dbraw/zinc/78/55/56/337785556.db2.gz QIFWZUYQKVJXGM-DJJJIMSYSA-N 1 0 312.413 3.906 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000195023831 338843622 /nfs/dbraw/zinc/84/36/22/338843622.db2.gz DLWUHWXTKBERIJ-JTQLQIEISA-N 1 0 307.777 3.611 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000237249160 341209954 /nfs/dbraw/zinc/20/99/54/341209954.db2.gz SOXXXAQLLGJPIL-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000273616641 341636665 /nfs/dbraw/zinc/63/66/65/341636665.db2.gz XNBAYMQTKWUSRB-STQMWFEESA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCc1cnccc1C ZINC000576789565 341863325 /nfs/dbraw/zinc/86/33/25/341863325.db2.gz MIXOFPLDAZKGRY-UHFFFAOYSA-N 1 0 307.441 3.913 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000160475121 520524801 /nfs/dbraw/zinc/52/48/01/520524801.db2.gz XNUZHSKUAZXUJB-KRWDZBQOSA-N 1 0 302.462 3.724 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000179951166 521338629 /nfs/dbraw/zinc/33/86/29/521338629.db2.gz KPYUYFDOUAJBJW-GFCCVEGCSA-N 1 0 303.324 3.565 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)ccc1O ZINC000179929345 521690143 /nfs/dbraw/zinc/69/01/43/521690143.db2.gz CVJLSXNLVHKYIO-UHFFFAOYSA-N 1 0 301.386 3.519 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccccc1O ZINC000365160151 522726634 /nfs/dbraw/zinc/72/66/34/522726634.db2.gz WMXJGTBOZQFDQY-BPAFIMBUSA-N 1 0 311.425 3.729 20 10 DHCDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000272353676 534728150 /nfs/dbraw/zinc/72/81/50/534728150.db2.gz DPXRGMMFEOCFSA-UHFFFAOYSA-N 1 0 323.408 3.521 20 10 DHCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000180231788 524734941 /nfs/dbraw/zinc/73/49/41/524734941.db2.gz DFTLZOJLEMKZNL-HNNXBMFYSA-N 1 0 318.442 3.675 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189926447 524740918 /nfs/dbraw/zinc/74/09/18/524740918.db2.gz ICIAOUXVGGTKOQ-HNNXBMFYSA-N 1 0 304.415 3.503 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1 ZINC000182523766 524751190 /nfs/dbraw/zinc/75/11/90/524751190.db2.gz GELRZBYWXYJCHN-UHFFFAOYSA-N 1 0 307.340 3.704 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269003419 525375878 /nfs/dbraw/zinc/37/58/78/525375878.db2.gz PREMTUXPCWDRSB-QFBILLFUSA-N 1 0 312.457 3.569 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000189314816 525503649 /nfs/dbraw/zinc/50/36/49/525503649.db2.gz OSXFOTUCPDHLBJ-VYDXJSESSA-N 1 0 320.452 3.628 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000157746872 525624781 /nfs/dbraw/zinc/62/47/81/525624781.db2.gz ZPUQMEWBMFHFMB-ROOHIHILSA-N 1 0 315.457 3.879 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1O ZINC000188047572 525689132 /nfs/dbraw/zinc/68/91/32/525689132.db2.gz GCHLWDCFELLIBQ-BMIGLBTASA-N 1 0 305.324 3.845 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)c1O ZINC000131578941 525916228 /nfs/dbraw/zinc/91/62/28/525916228.db2.gz CRHGXMMKYQGYER-NSHDSACASA-N 1 0 307.340 3.872 20 10 DHCDRO COc1cccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1O ZINC000237374835 526016372 /nfs/dbraw/zinc/01/63/72/526016372.db2.gz HUJZOWWOGREYNP-UHFFFAOYSA-N 1 0 310.397 3.523 20 10 DHCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753855 534957901 /nfs/dbraw/zinc/95/79/01/534957901.db2.gz QMGBDPASPOCDSI-CZUORRHYSA-N 1 0 310.869 3.818 20 10 DHCDRO CC(C)COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297833972 535181665 /nfs/dbraw/zinc/18/16/65/535181665.db2.gz RXZDQMDTRKJKPR-JKSUJKDBSA-N 1 0 315.413 3.976 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(CSC)cc2)c1 ZINC000285494833 535751675 /nfs/dbraw/zinc/75/16/75/535751675.db2.gz MPMXRBKETICPAF-UHFFFAOYSA-N 1 0 317.454 3.944 20 10 DHCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273620004 535981336 /nfs/dbraw/zinc/98/13/36/535981336.db2.gz YTDNLUGIOWKLEY-IGMOGCDKSA-N 1 0 323.502 3.739 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000273362532 536896725 /nfs/dbraw/zinc/89/67/25/536896725.db2.gz DFHWTBYWLBBMCB-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO C1=CC[C@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000120830392 1013314577 /nfs/dbraw/zinc/31/45/77/1013314577.db2.gz WELUMAHSTAKLRB-INIZCTEOSA-N 1 0 302.487 3.686 20 10 DHCDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)CCO1 ZINC000894419007 1013353573 /nfs/dbraw/zinc/35/35/73/1013353573.db2.gz FAGQLHSWPZWENE-DLBZAZTESA-N 1 0 321.461 3.783 20 10 DHCDRO COc1cccc(C[NH2+]Cc2cc(C(C)(C)C)oc2C)c1O ZINC000894457660 1013371135 /nfs/dbraw/zinc/37/11/35/1013371135.db2.gz FZEWGDFCUZPRGW-UHFFFAOYSA-N 1 0 303.402 3.890 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3sccc32)c1O ZINC000894474143 1013384101 /nfs/dbraw/zinc/38/41/01/1013384101.db2.gz OPPOKBWUSQHZGP-AWEZNQCLSA-N 1 0 303.427 3.938 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(CSC)cc2)c1O ZINC000894756394 1013479536 /nfs/dbraw/zinc/47/95/36/1013479536.db2.gz IYAQEIHIJWFAGN-UHFFFAOYSA-N 1 0 317.454 3.862 20 10 DHCDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000120846233 1013530224 /nfs/dbraw/zinc/53/02/24/1013530224.db2.gz KBXIDLAORRMALS-JTQLQIEISA-N 1 0 321.323 3.592 20 10 DHCDRO Cc1ccc(C)c(CN(CC[NH+](C)C)Cc2ccccc2)c1O ZINC001140179220 1013788109 /nfs/dbraw/zinc/78/81/09/1013788109.db2.gz CHWOLSSNVBUJHE-UHFFFAOYSA-N 1 0 312.457 3.573 20 10 DHCDRO Cc1ccc(C)c(C[N@H+](C)CCC(=O)c2cccs2)c1O ZINC001140183345 1013798499 /nfs/dbraw/zinc/79/84/99/1013798499.db2.gz COWWFXYIFCUVPA-UHFFFAOYSA-N 1 0 303.427 3.775 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000160554509 1014234760 /nfs/dbraw/zinc/23/47/60/1014234760.db2.gz KWJIBJVRXYTTCP-LJQANCHMSA-N 1 0 312.482 3.873 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000760041660 1014362994 /nfs/dbraw/zinc/36/29/94/1014362994.db2.gz PQMXSXIVUPQYKX-GOSISDBHSA-N 1 0 300.446 3.586 20 10 DHCDRO CCCC[NH+]1CCC(N(C)Cc2c(O)cccc2Cl)CC1 ZINC001140342508 1014644223 /nfs/dbraw/zinc/64/42/23/1014644223.db2.gz MGUZHIQTWDELDJ-UHFFFAOYSA-N 1 0 310.869 3.742 20 10 DHCDRO CCn1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(-c2ccccc2)n1 ZINC000895449204 1015157416 /nfs/dbraw/zinc/15/74/16/1015157416.db2.gz FOTLFJQTMHDWCY-UHFFFAOYSA-N 1 0 319.408 3.791 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000754742256 1015197977 /nfs/dbraw/zinc/19/79/77/1015197977.db2.gz UVTMNDATXAGEQF-GOSISDBHSA-N 1 0 303.446 3.933 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000895585452 1015213266 /nfs/dbraw/zinc/21/32/66/1015213266.db2.gz XRTRHMOJNZTHJJ-NSHDSACASA-N 1 0 308.834 3.800 20 10 DHCDRO Oc1c(C[NH+]2CC(CC3CCOCC3)C2)ccc2ccccc21 ZINC000895615772 1015226557 /nfs/dbraw/zinc/22/65/57/1015226557.db2.gz OOCRMTHGEGYGOH-UHFFFAOYSA-N 1 0 311.425 3.794 20 10 DHCDRO Cc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)ccc1N(C)C ZINC000294685079 1032114402 /nfs/dbraw/zinc/11/44/02/1032114402.db2.gz SUBDDTHZMDAEJP-AWEZNQCLSA-N 1 0 303.475 3.753 20 10 DHCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788295 1015302447 /nfs/dbraw/zinc/30/24/47/1015302447.db2.gz OFHFYGXHYQYEDQ-FZMZJTMJSA-N 1 0 303.299 3.696 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000895856388 1015332737 /nfs/dbraw/zinc/33/27/37/1015332737.db2.gz YSXBAPIWVVIMCZ-OAHLLOKOSA-N 1 0 321.779 3.970 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000320270251 1015491409 /nfs/dbraw/zinc/49/14/09/1015491409.db2.gz TWGGHQTXVVKJMX-ZRGWGRIASA-N 1 0 320.477 3.562 20 10 DHCDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000783535153 1015495542 /nfs/dbraw/zinc/49/55/42/1015495542.db2.gz KNRUEKKRTQSQMC-IXDOHACOSA-N 1 0 304.478 3.877 20 10 DHCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(O)c1 ZINC000896225270 1015511141 /nfs/dbraw/zinc/51/11/41/1015511141.db2.gz WYKFYYIPANBCPZ-CYBMUJFWSA-N 1 0 303.299 3.567 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896224694 1015507397 /nfs/dbraw/zinc/50/73/97/1015507397.db2.gz NEAMCNCUWXRIKX-CQSZACIVSA-N 1 0 317.326 3.821 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000896611553 1015671829 /nfs/dbraw/zinc/67/18/29/1015671829.db2.gz BQCCUPWQFREXSV-INIZCTEOSA-N 1 0 318.804 3.690 20 10 DHCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275369 1016130587 /nfs/dbraw/zinc/13/05/87/1016130587.db2.gz QBVIAPOFFLNMGM-AVGNSLFASA-N 1 0 302.422 3.744 20 10 DHCDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c(O)c1OC ZINC000892036766 1016140483 /nfs/dbraw/zinc/14/04/83/1016140483.db2.gz QADKMFAKQUHHSP-UMVBOHGHSA-N 1 0 305.418 3.562 20 10 DHCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000399575832 1016167359 /nfs/dbraw/zinc/16/73/59/1016167359.db2.gz HWNRMLLLBUYZHS-SDDRHHMPSA-N 1 0 312.251 3.939 20 10 DHCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195328 1016396166 /nfs/dbraw/zinc/39/61/66/1016396166.db2.gz PQBLHSHROFIZLJ-SUMWQHHRSA-N 1 0 313.397 3.602 20 10 DHCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)CC(C)C ZINC000184949654 1016463356 /nfs/dbraw/zinc/46/33/56/1016463356.db2.gz ZCFFGIVFVHJKDV-HUUCEWRRSA-N 1 0 322.449 3.512 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2c(F)cccc2F)c1 ZINC000185067697 1016530109 /nfs/dbraw/zinc/53/01/09/1016530109.db2.gz SUUOLVUPWHFPGZ-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c(O)c1 ZINC000185091740 1016550000 /nfs/dbraw/zinc/55/00/00/1016550000.db2.gz QJGISTZSNSJANB-WMZOPIPTSA-N 1 0 312.457 3.524 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC000185103905 1016566321 /nfs/dbraw/zinc/56/63/21/1016566321.db2.gz DFAWFMBITTXTAR-QWHCGFSZSA-N 1 0 303.377 3.822 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185143116 1016624401 /nfs/dbraw/zinc/62/44/01/1016624401.db2.gz RZTYBXWFLXZHLT-AWEZNQCLSA-N 1 0 300.402 3.735 20 10 DHCDRO CCCCOc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185143756 1016639004 /nfs/dbraw/zinc/63/90/04/1016639004.db2.gz QJFUWGKLIRSMSM-CYBMUJFWSA-N 1 0 318.392 3.956 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(F)ccc1O ZINC000185165619 1016690229 /nfs/dbraw/zinc/69/02/29/1016690229.db2.gz AANUWJBFZOXDGS-ZDUSSCGKSA-N 1 0 311.360 3.568 20 10 DHCDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185574785 1017023694 /nfs/dbraw/zinc/02/36/94/1017023694.db2.gz BAZMTISYEHKMMK-QWHCGFSZSA-N 1 0 319.376 3.658 20 10 DHCDRO CCSCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152821775 1017023991 /nfs/dbraw/zinc/02/39/91/1017023991.db2.gz AGLWGXVATFTALK-OAHLLOKOSA-N 1 0 322.518 3.785 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3cccnc32)c1O ZINC000897072484 1017033526 /nfs/dbraw/zinc/03/35/26/1017033526.db2.gz QCYPBZBVRDUFJX-AWEZNQCLSA-N 1 0 318.804 3.616 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCCC2 ZINC000185602309 1017042422 /nfs/dbraw/zinc/04/24/22/1017042422.db2.gz OFWNXGWUBFZPBS-MORSLUCNSA-N 1 0 319.445 3.789 20 10 DHCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2c(C)c3ccccc3n2C)CCO1 ZINC000475189049 1017042663 /nfs/dbraw/zinc/04/26/63/1017042663.db2.gz CZOQMWKXWLWYPV-HZPDHXFCSA-N 1 0 300.446 3.782 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000192743994 1017053322 /nfs/dbraw/zinc/05/33/22/1017053322.db2.gz UZZZUUXUMQIMRK-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000192790223 1017059451 /nfs/dbraw/zinc/05/94/51/1017059451.db2.gz VRGYJTJUVVJVSJ-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000192916789 1017228868 /nfs/dbraw/zinc/22/88/68/1017228868.db2.gz SMFBEPYVSHJOBD-RDJZCZTQSA-N 1 0 314.429 3.781 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772978622 1032259053 /nfs/dbraw/zinc/25/90/53/1032259053.db2.gz GVZSLAPQMOKCDX-YWZLYKJASA-N 1 0 310.441 3.717 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000475197136 1017072953 /nfs/dbraw/zinc/07/29/53/1017072953.db2.gz LRJPSOXGWRFRME-BEFAXECRSA-N 1 0 300.446 3.780 20 10 DHCDRO Cc1c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000323214816 1032339121 /nfs/dbraw/zinc/33/91/21/1032339121.db2.gz XZARQSNTXYRYRK-CQSZACIVSA-N 1 0 313.401 3.820 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000192848087 1017098259 /nfs/dbraw/zinc/09/82/59/1017098259.db2.gz CDCYSCUCRPWWJZ-WBMJQRKESA-N 1 0 313.401 3.685 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001171343932 1032493745 /nfs/dbraw/zinc/49/37/45/1032493745.db2.gz MOIYDVMVNUXLNH-SFHVURJKSA-N 1 0 304.503 3.860 20 10 DHCDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773003708 1032520298 /nfs/dbraw/zinc/52/02/98/1032520298.db2.gz XCSZVGPUCFOWPO-CQSZACIVSA-N 1 0 306.425 3.503 20 10 DHCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773013921 1032528441 /nfs/dbraw/zinc/52/84/41/1032528441.db2.gz GJDFMZLDHNFCAW-VQIMIIECSA-N 1 0 304.478 3.879 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000773104439 1032559495 /nfs/dbraw/zinc/55/94/95/1032559495.db2.gz SGFYYDVGNKGFMF-IERDGZPVSA-N 1 0 324.468 3.627 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108374 1032561716 /nfs/dbraw/zinc/56/17/16/1032561716.db2.gz XAACTEMVYBGURO-IERDGZPVSA-N 1 0 323.484 3.980 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773113239 1032564825 /nfs/dbraw/zinc/56/48/25/1032564825.db2.gz COAKIXXOMNFOAQ-ZLGUVYLKSA-N 1 0 323.484 3.849 20 10 DHCDRO CCC(CC)(C[NH2+]Cc1cc(OC)ccc1O)C(F)(F)F ZINC000877707933 1033419058 /nfs/dbraw/zinc/41/90/58/1033419058.db2.gz QSQNJVPBXZHVKJ-UHFFFAOYSA-N 1 0 305.340 3.859 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1OC ZINC000160202378 1012018536 /nfs/dbraw/zinc/01/85/36/1012018536.db2.gz MHMAILGNFQVOGL-LJQANCHMSA-N 1 0 317.429 3.732 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)CCC2 ZINC000773260612 1032664904 /nfs/dbraw/zinc/66/49/04/1032664904.db2.gz YLSXOGYRNSIUGQ-CVEARBPZSA-N 1 0 315.457 3.520 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000185714824 1017125714 /nfs/dbraw/zinc/12/57/14/1017125714.db2.gz MQUKOBUVYCKERX-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc(Br)c(O)c(CNc2[nH+]ccn2C2CC2)c1 ZINC000840887292 1017371207 /nfs/dbraw/zinc/37/12/07/1017371207.db2.gz VYZXBYCGZSOAQM-UHFFFAOYSA-N 1 0 322.206 3.607 20 10 DHCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000305740979 1017529444 /nfs/dbraw/zinc/52/94/44/1017529444.db2.gz DUGOCHXGGNAHPE-LJQANCHMSA-N 1 0 323.392 3.721 20 10 DHCDRO COc1cccc(OCCC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000186066547 1017679484 /nfs/dbraw/zinc/67/94/84/1017679484.db2.gz LLDBKAXZZJPRMT-ZDUSSCGKSA-N 1 0 319.376 3.660 20 10 DHCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccsc3)CC1)OCO2 ZINC000186138405 1017912019 /nfs/dbraw/zinc/91/20/19/1017912019.db2.gz QQIKPYWJNOWIED-UHFFFAOYSA-N 1 0 317.410 3.562 20 10 DHCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1cccc(F)c1 ZINC000113311345 1017929371 /nfs/dbraw/zinc/92/93/71/1017929371.db2.gz XDDPJNPLIJSRBY-MRXNPFEDSA-N 1 0 322.811 3.577 20 10 DHCDRO CC[NH2+]Cc1ccccc1NCc1cc(Cl)cc(F)c1O ZINC000841042918 1018119846 /nfs/dbraw/zinc/11/98/46/1018119846.db2.gz LIKUBFLSUNQRNC-UHFFFAOYSA-N 1 0 308.784 3.906 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858016043 1032744476 /nfs/dbraw/zinc/74/44/76/1032744476.db2.gz HLHANKMBIVUUHA-GOSISDBHSA-N 1 0 324.424 3.626 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764716719 1018355459 /nfs/dbraw/zinc/35/54/59/1018355459.db2.gz JWPYTXYDFVJKOC-QFBILLFUSA-N 1 0 312.457 3.651 20 10 DHCDRO Cc1cc(CC[NH2+][C@@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764716716 1018355771 /nfs/dbraw/zinc/35/57/71/1018355771.db2.gz JWPYTXYDFVJKOC-LPHOPBHVSA-N 1 0 312.457 3.651 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764867701 1018408727 /nfs/dbraw/zinc/40/87/27/1018408727.db2.gz CZMPEQSTBDOHCQ-PKOBYXMFSA-N 1 0 303.494 3.668 20 10 DHCDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000764930455 1018431755 /nfs/dbraw/zinc/43/17/55/1018431755.db2.gz SQTOMHQVLNFZIZ-IKGGRYGDSA-N 1 0 303.494 3.666 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000765082321 1018471525 /nfs/dbraw/zinc/47/15/25/1018471525.db2.gz URIUAIPQSXGCQA-HNNXBMFYSA-N 1 0 304.503 3.908 20 10 DHCDRO C[C@H]1OCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1C ZINC000765099352 1018475611 /nfs/dbraw/zinc/47/56/11/1018475611.db2.gz PDTDAWMFSBNCHV-CHWSQXEVSA-N 1 0 315.413 3.626 20 10 DHCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000705967490 1018689705 /nfs/dbraw/zinc/68/97/05/1018689705.db2.gz MRWBAXFKTNPETK-LLVKDONJSA-N 1 0 317.260 3.521 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278453365 1018708461 /nfs/dbraw/zinc/70/84/61/1018708461.db2.gz YHCRREFBVUCXTG-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)CC(F)(F)F)cc1F ZINC000858158284 1032786262 /nfs/dbraw/zinc/78/62/62/1032786262.db2.gz DONVMULNKSGWKQ-UHFFFAOYSA-N 1 0 310.310 3.851 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000765334140 1018760451 /nfs/dbraw/zinc/76/04/51/1018760451.db2.gz KLTNHHQPALTVSV-WBVHZDCISA-N 1 0 302.462 3.832 20 10 DHCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765946128 1018957354 /nfs/dbraw/zinc/95/73/54/1018957354.db2.gz NSEZHJKMBQDHNA-YZVOILCLSA-N 1 0 322.468 3.874 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(C)noc2CC)cc1C ZINC000922981335 1018962338 /nfs/dbraw/zinc/96/23/38/1018962338.db2.gz DFMOEYYPJHPESK-UHFFFAOYSA-N 1 0 302.418 3.932 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001117040991 1018970760 /nfs/dbraw/zinc/97/07/60/1018970760.db2.gz ZIZZCWYNZWBVRU-ZIAGYGMSSA-N 1 0 307.434 3.780 20 10 DHCDRO CCn1nccc1C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000278651945 1018986876 /nfs/dbraw/zinc/98/68/76/1018986876.db2.gz GSOAHOOJHIOLSR-UHFFFAOYSA-N 1 0 313.445 3.605 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H](C)CC3CCC3)CC2)cc1 ZINC000765637757 1019023634 /nfs/dbraw/zinc/02/36/34/1019023634.db2.gz HLDVQOLJLMJOMD-OAHLLOKOSA-N 1 0 302.462 3.832 20 10 DHCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1C ZINC000263894576 1032806852 /nfs/dbraw/zinc/80/68/52/1032806852.db2.gz YFGQCCJGUJPQLX-UHFFFAOYSA-N 1 0 319.445 3.563 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1Cl ZINC000825774600 1032811463 /nfs/dbraw/zinc/81/14/63/1032811463.db2.gz ZJJZCOCXDXKVAO-MRXNPFEDSA-N 1 0 309.837 3.793 20 10 DHCDRO CCCCn1nc(C)c(C[NH2+]Cc2cc(C)ccc2O)c1Cl ZINC000858237955 1032813061 /nfs/dbraw/zinc/81/30/61/1032813061.db2.gz RTPIUNOHRLOXIW-UHFFFAOYSA-N 1 0 321.852 3.949 20 10 DHCDRO c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc2c1OCC2 ZINC000136729683 1019328734 /nfs/dbraw/zinc/32/87/34/1019328734.db2.gz ZCHKRBGFYQIROT-QGZVFWFLSA-N 1 0 301.430 3.593 20 10 DHCDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921634561 1019332197 /nfs/dbraw/zinc/33/21/97/1019332197.db2.gz OORRLZIJGJYWNF-SFHVURJKSA-N 1 0 309.409 3.933 20 10 DHCDRO Cc1ncccc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000858273541 1032829070 /nfs/dbraw/zinc/82/90/70/1032829070.db2.gz DYUAPAVQUUOFLX-UHFFFAOYSA-N 1 0 323.362 3.765 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC000858292652 1032832863 /nfs/dbraw/zinc/83/28/63/1032832863.db2.gz CNSFIPJNINSUGN-UHFFFAOYSA-N 1 0 322.456 3.734 20 10 DHCDRO COc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)c(O)c1 ZINC000858305061 1032834344 /nfs/dbraw/zinc/83/43/44/1032834344.db2.gz OFWYYTRSNDRHGK-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000785467949 1019852559 /nfs/dbraw/zinc/85/25/59/1019852559.db2.gz CUCGANQPQTXSFU-UHFFFAOYSA-N 1 0 305.425 3.899 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1O ZINC000926936747 1032857937 /nfs/dbraw/zinc/85/79/37/1032857937.db2.gz MJELBKCAALAJIY-LMWOUKEDSA-N 1 0 307.821 3.677 20 10 DHCDRO CO[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000728049213 1019868134 /nfs/dbraw/zinc/86/81/34/1019868134.db2.gz BMVLZAJMXIEPTK-ZDUSSCGKSA-N 1 0 315.413 3.628 20 10 DHCDRO COc1cccc(O)c1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000730818188 1020030272 /nfs/dbraw/zinc/03/02/72/1020030272.db2.gz KOYBWNULXKAHJS-UHFFFAOYSA-N 1 0 310.397 3.605 20 10 DHCDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782543266 1020033860 /nfs/dbraw/zinc/03/38/60/1020033860.db2.gz HJOKKKZKBLERFL-ZDUSSCGKSA-N 1 0 306.347 3.958 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000323450367 1032873497 /nfs/dbraw/zinc/87/34/97/1032873497.db2.gz AOYCPECZKKALBV-OAHLLOKOSA-N 1 0 308.429 3.678 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000922481012 1020090074 /nfs/dbraw/zinc/09/00/74/1020090074.db2.gz ALBUMBHKKNCDFS-UHFFFAOYSA-N 1 0 322.456 3.709 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccccc1O ZINC000186237997 1020170979 /nfs/dbraw/zinc/17/09/79/1020170979.db2.gz RAABYQALALEZOA-YOEYTUCGSA-N 1 0 309.475 3.513 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000765781717 1020187973 /nfs/dbraw/zinc/18/79/73/1020187973.db2.gz PJGRUDSEWDSRNV-WMZOPIPTSA-N 1 0 313.489 3.564 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000186264284 1020194572 /nfs/dbraw/zinc/19/45/72/1020194572.db2.gz GSHFFPJGRKQGNO-ZFWWWQNUSA-N 1 0 322.449 3.736 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676899 1020209757 /nfs/dbraw/zinc/20/97/57/1020209757.db2.gz DBQLCWNQDWQPSR-DGCLKSJQSA-N 1 0 323.742 3.635 20 10 DHCDRO COc1ccc(-c2cc(C[N@H+](C)Cc3ccccc3O)on2)cc1 ZINC000732203069 1020211017 /nfs/dbraw/zinc/21/10/17/1020211017.db2.gz NQZOQEHCMUQGNS-UHFFFAOYSA-N 1 0 324.380 3.688 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922679131 1020211427 /nfs/dbraw/zinc/21/14/27/1020211427.db2.gz HHXLKJVBHWMNJT-UKRRQHHQSA-N 1 0 317.351 3.599 20 10 DHCDRO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000732202744 1020211525 /nfs/dbraw/zinc/21/15/25/1020211525.db2.gz GDTJIWMEUDLTBO-UHFFFAOYSA-N 1 0 312.344 3.818 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000765799374 1020218781 /nfs/dbraw/zinc/21/87/81/1020218781.db2.gz HXGIUICQWSMAAP-LJQANCHMSA-N 1 0 303.494 3.668 20 10 DHCDRO CN(Cc1cccc(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411250 1020240677 /nfs/dbraw/zinc/24/06/77/1020240677.db2.gz YRYYOWJEDSSIDC-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1O ZINC000922843893 1020300858 /nfs/dbraw/zinc/30/08/58/1020300858.db2.gz ZWNBEPRFWAMUGS-CQSZACIVSA-N 1 0 307.459 3.699 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000766006667 1020339393 /nfs/dbraw/zinc/33/93/93/1020339393.db2.gz OEALBLPBSNKNQF-GJZGRUSLSA-N 1 0 322.468 3.995 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1scnc1C1CC1 ZINC000785471050 1020342521 /nfs/dbraw/zinc/34/25/21/1020342521.db2.gz UFCSANAUUDHDJG-UHFFFAOYSA-N 1 0 301.459 3.685 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)c(O)c1OC ZINC000892445888 1020362761 /nfs/dbraw/zinc/36/27/61/1020362761.db2.gz CAXMENLASHNYRI-CQSZACIVSA-N 1 0 315.413 3.520 20 10 DHCDRO COc1ccc(C)cc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000733322539 1020368902 /nfs/dbraw/zinc/36/89/02/1020368902.db2.gz LJBZOELTHOZRLO-UHFFFAOYSA-N 1 0 305.805 3.695 20 10 DHCDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325002 1020372487 /nfs/dbraw/zinc/37/24/87/1020372487.db2.gz QYFZKOHPHJMFRR-OAHLLOKOSA-N 1 0 300.421 3.921 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)c1ccccc1 ZINC000733324816 1020372878 /nfs/dbraw/zinc/37/28/78/1020372878.db2.gz ZJXSJWGOEGZNEE-HNNXBMFYSA-N 1 0 315.436 3.506 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463657 1020406977 /nfs/dbraw/zinc/40/69/77/1020406977.db2.gz FXSDEFBUEWSNAJ-RBUKOAKNSA-N 1 0 322.452 3.634 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(N(C)C)cc1 ZINC000858452037 1032902209 /nfs/dbraw/zinc/90/22/09/1032902209.db2.gz HOAYOFNMLYJAOI-YWZLYKJASA-N 1 0 310.441 3.545 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(C)cc1O ZINC000858452894 1032903700 /nfs/dbraw/zinc/90/37/00/1032903700.db2.gz HTAPNNBUQBNSAW-PKOBYXMFSA-N 1 0 311.425 3.883 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000766029614 1020489445 /nfs/dbraw/zinc/48/94/45/1020489445.db2.gz OSNMLENEYOALMY-OAHLLOKOSA-N 1 0 310.441 3.847 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029518 1020490014 /nfs/dbraw/zinc/49/00/14/1020490014.db2.gz MXMBKFKVPXWLMH-IBGZPJMESA-N 1 0 310.441 3.847 20 10 DHCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CCSCC1 ZINC000187222985 1020510546 /nfs/dbraw/zinc/51/05/46/1020510546.db2.gz RAUKOWDHYILPGM-LLVKDONJSA-N 1 0 302.534 3.747 20 10 DHCDRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CCO2 ZINC000921719500 1020567250 /nfs/dbraw/zinc/56/72/50/1020567250.db2.gz QVEVMRBTMAOBIN-QGZVFWFLSA-N 1 0 313.372 3.764 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000766213579 1020716900 /nfs/dbraw/zinc/71/69/00/1020716900.db2.gz HAAJOSOSEFPALV-PBHICJAKSA-N 1 0 320.452 3.577 20 10 DHCDRO Cc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1N1CCCCC1 ZINC000828877935 1020795839 /nfs/dbraw/zinc/79/58/39/1020795839.db2.gz ZERYWXUGWMXXKB-UHFFFAOYSA-N 1 0 316.489 3.580 20 10 DHCDRO Cc1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c(C)n1-c1ccccc1 ZINC000858543110 1032939055 /nfs/dbraw/zinc/93/90/55/1032939055.db2.gz QAUOGFZUNBWYPG-LJQANCHMSA-N 1 0 320.440 3.984 20 10 DHCDRO COC[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000739871977 1020919209 /nfs/dbraw/zinc/91/92/09/1020919209.db2.gz XFPQUWGCVZPTRV-CYBMUJFWSA-N 1 0 311.381 3.760 20 10 DHCDRO CCc1cc(C[N@@H+]2CC[C@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000739867400 1020919822 /nfs/dbraw/zinc/91/98/22/1020919822.db2.gz BUYHJEPQZDRZHS-HNNXBMFYSA-N 1 0 305.462 3.720 20 10 DHCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740005820 1020923097 /nfs/dbraw/zinc/92/30/97/1020923097.db2.gz GYSHDWGDEFNHML-KDOFPFPSSA-N 1 0 310.457 3.559 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1F ZINC000740003908 1020923180 /nfs/dbraw/zinc/92/31/80/1020923180.db2.gz BAZRFSCSYXPZGU-IBGZPJMESA-N 1 0 322.468 3.703 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740005413 1020923191 /nfs/dbraw/zinc/92/31/91/1020923191.db2.gz BRJZOYCQKRATBK-YVEFUNNKSA-N 1 0 311.853 3.713 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCCn3nccc32)c(C)n1-c1ccccc1 ZINC000858543483 1032941659 /nfs/dbraw/zinc/94/16/59/1032941659.db2.gz SXODQILFDWXXIF-IBGZPJMESA-N 1 0 320.440 3.915 20 10 DHCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1(C)C ZINC000740861867 1020956888 /nfs/dbraw/zinc/95/68/88/1020956888.db2.gz SCXPEBSMSXWPHS-ROUUACIJSA-N 1 0 314.429 3.576 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000741753275 1021048679 /nfs/dbraw/zinc/04/86/79/1021048679.db2.gz RHFXWRZMYRBIJV-HXUWFJFHSA-N 1 0 310.441 3.716 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000264532580 1032950697 /nfs/dbraw/zinc/95/06/97/1032950697.db2.gz JWFNCTRXCDYKMA-IERDGZPVSA-N 1 0 322.452 3.861 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)CCC2 ZINC000742152999 1021095795 /nfs/dbraw/zinc/09/57/95/1021095795.db2.gz PVNCFDYIYLKYBF-QGZVFWFLSA-N 1 0 307.437 3.946 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(F)cc2C)cc1 ZINC000892615046 1021096999 /nfs/dbraw/zinc/09/69/99/1021096999.db2.gz QNZZHJNETDBUBP-UHFFFAOYSA-N 1 0 301.409 3.665 20 10 DHCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1cccc(Cl)c1 ZINC000742380938 1021108390 /nfs/dbraw/zinc/10/83/90/1021108390.db2.gz SYDAHDBGKVNLGI-CYBMUJFWSA-N 1 0 317.816 3.832 20 10 DHCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccoc3)C2)cc1 ZINC000742384751 1021109915 /nfs/dbraw/zinc/10/99/15/1021109915.db2.gz LORIYWXCKNXJQU-CQSZACIVSA-N 1 0 322.355 3.640 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000742377107 1021114411 /nfs/dbraw/zinc/11/44/11/1021114411.db2.gz MODURPVWYNWYRO-SJLPKXTDSA-N 1 0 312.457 3.917 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)cc1F ZINC000742377506 1021115327 /nfs/dbraw/zinc/11/53/27/1021115327.db2.gz NCIYZEOEZLZWQF-AWEZNQCLSA-N 1 0 310.457 3.965 20 10 DHCDRO Oc1cc2c(cc1C[NH2+][C@@H](CC1CC1)c1ccccc1)OCO2 ZINC000742378650 1021115727 /nfs/dbraw/zinc/11/57/27/1021115727.db2.gz XCRMWGSTMCJLMZ-INIZCTEOSA-N 1 0 311.381 3.752 20 10 DHCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000858591677 1032957577 /nfs/dbraw/zinc/95/75/77/1032957577.db2.gz YBFQZQFMKTUWPU-TXPKVOOTSA-N 1 0 302.462 3.753 20 10 DHCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000743394891 1021281780 /nfs/dbraw/zinc/28/17/80/1021281780.db2.gz DGUJDRHVFXKXRP-QGZVFWFLSA-N 1 0 302.443 3.514 20 10 DHCDRO CC(C)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743394843 1021282077 /nfs/dbraw/zinc/28/20/77/1021282077.db2.gz CTQYHQBSWVUXPH-INIZCTEOSA-N 1 0 323.502 3.969 20 10 DHCDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000743398411 1021284160 /nfs/dbraw/zinc/28/41/60/1021284160.db2.gz HQSIXNKDUFTFNN-IRXDYDNUSA-N 1 0 305.487 3.987 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1C ZINC000743377274 1021285409 /nfs/dbraw/zinc/28/54/09/1021285409.db2.gz PNUORPVEARVQRH-HXUWFJFHSA-N 1 0 324.468 3.715 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000850128482 1021423084 /nfs/dbraw/zinc/42/30/84/1021423084.db2.gz CLWYULHZRVORSP-IEBWSBKVSA-N 1 0 302.462 3.580 20 10 DHCDRO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850234809 1021449687 /nfs/dbraw/zinc/44/96/87/1021449687.db2.gz LZDCZFQAEBLJEA-KGLIPLIRSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850281092 1021463844 /nfs/dbraw/zinc/46/38/44/1021463844.db2.gz OOJORERTEDMWAF-LBPRGKRZSA-N 1 0 309.475 3.541 20 10 DHCDRO COc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850326055 1021474964 /nfs/dbraw/zinc/47/49/64/1021474964.db2.gz SPWOPQRTISYPGW-AAEUAGOBSA-N 1 0 309.475 3.682 20 10 DHCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116279486 1032982295 /nfs/dbraw/zinc/98/22/95/1032982295.db2.gz IRCWJCQJKSMLJL-UHFFFAOYSA-N 1 0 306.749 3.586 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2noc3ccccc23)cc1 ZINC000850341649 1021479339 /nfs/dbraw/zinc/47/93/39/1021479339.db2.gz ASKDCYZEPCKLME-WAYWQWQTSA-N 1 0 321.424 3.739 20 10 DHCDRO Oc1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000850344380 1021480582 /nfs/dbraw/zinc/48/05/82/1021480582.db2.gz HCGFYCFNVRUOQA-CQSZACIVSA-N 1 0 316.832 3.662 20 10 DHCDRO COC1CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000850342984 1021480869 /nfs/dbraw/zinc/48/08/69/1021480869.db2.gz XFWSALZWBSPSNP-UHFFFAOYSA-N 1 0 311.425 3.964 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)cc3C)C2)cc1 ZINC000850345429 1021481057 /nfs/dbraw/zinc/48/10/57/1021481057.db2.gz AAQKDCOVECNYEZ-KRWDZBQOSA-N 1 0 314.404 3.511 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1F ZINC000850355492 1021483289 /nfs/dbraw/zinc/48/32/89/1021483289.db2.gz FWCQZNMOIOYLHZ-UHFFFAOYSA-N 1 0 323.415 3.772 20 10 DHCDRO COc1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1C ZINC000744269775 1021487945 /nfs/dbraw/zinc/48/79/45/1021487945.db2.gz RQHNZPZJXUCVKW-UHFFFAOYSA-N 1 0 306.409 3.884 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](C)COc2c(F)cccc2F)c1 ZINC000850366721 1021490460 /nfs/dbraw/zinc/49/04/60/1021490460.db2.gz GKMSLWWYCAAGKV-GFCCVEGCSA-N 1 0 307.340 3.536 20 10 DHCDRO COc1cc(C[NH2+]C[C@]2(C)CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000850379727 1021499672 /nfs/dbraw/zinc/49/96/72/1021499672.db2.gz WRXCXSNAQYZCBN-INIZCTEOSA-N 1 0 313.388 3.833 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC000850385246 1021500889 /nfs/dbraw/zinc/50/08/89/1021500889.db2.gz AZERGESCIUKVDB-YLJYHZDGSA-N 1 0 309.457 3.649 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000850388876 1021504130 /nfs/dbraw/zinc/50/41/30/1021504130.db2.gz QVKDLLBKCAQPFS-DLBZAZTESA-N 1 0 319.445 3.617 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1O ZINC000850387835 1021504514 /nfs/dbraw/zinc/50/45/14/1021504514.db2.gz ANNNNCIQLUNGBP-JKSUJKDBSA-N 1 0 319.445 3.617 20 10 DHCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406065 1021514102 /nfs/dbraw/zinc/51/41/02/1021514102.db2.gz QACAWQDAUQGYNU-FUHWJXTLSA-N 1 0 316.489 3.564 20 10 DHCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850406211 1021514460 /nfs/dbraw/zinc/51/44/60/1021514460.db2.gz XMTCITXLRVNLLD-KRWDZBQOSA-N 1 0 316.489 3.706 20 10 DHCDRO COc1cc(C[NH2+]C[C@@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850408764 1021515953 /nfs/dbraw/zinc/51/59/53/1021515953.db2.gz FAIFSINAPBSVIY-AWEZNQCLSA-N 1 0 321.461 3.603 20 10 DHCDRO CC(C)(C)SCC[NH2+]Cc1ccc(Br)cc1O ZINC000691418250 1021519716 /nfs/dbraw/zinc/51/97/16/1021519716.db2.gz ZDJSMKFIBAHHLA-UHFFFAOYSA-N 1 0 318.280 3.776 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC000850423507 1021524097 /nfs/dbraw/zinc/52/40/97/1021524097.db2.gz ANFQIYQTGVGGNE-KRWDZBQOSA-N 1 0 302.487 3.662 20 10 DHCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCCSCC1 ZINC000850424762 1021524818 /nfs/dbraw/zinc/52/48/18/1021524818.db2.gz MTBAMGIVCBINOM-MRXNPFEDSA-N 1 0 322.543 3.615 20 10 DHCDRO Oc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)oc1ccccc12 ZINC000744434448 1021542669 /nfs/dbraw/zinc/54/26/69/1021542669.db2.gz BZNSYMLUIPSKSU-OKILXGFUSA-N 1 0 309.365 3.655 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)ccc1OC ZINC000744449233 1021548903 /nfs/dbraw/zinc/54/89/03/1021548903.db2.gz TXONFRZTKMKCIN-MJGOQNOKSA-N 1 0 321.461 3.525 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000850474840 1021554894 /nfs/dbraw/zinc/55/48/94/1021554894.db2.gz QUGIVPAIJQASFB-RDJZCZTQSA-N 1 0 306.519 3.867 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000850488290 1021561748 /nfs/dbraw/zinc/56/17/48/1021561748.db2.gz MTERHSCQQIHGSR-KBPBESRZSA-N 1 0 317.351 3.613 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccnc3ccccc13)CC2 ZINC000850506096 1021566836 /nfs/dbraw/zinc/56/68/36/1021566836.db2.gz FKUAVTDTFVECEU-SFHVURJKSA-N 1 0 304.393 3.760 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513331 1021571019 /nfs/dbraw/zinc/57/10/19/1021571019.db2.gz GEQXYJOUBDLPDS-RDTXWAMCSA-N 1 0 315.413 3.748 20 10 DHCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc2ccccc2c1O ZINC000850520963 1021574487 /nfs/dbraw/zinc/57/44/87/1021574487.db2.gz KOCWSGLYXIGRNH-ABAIWWIYSA-N 1 0 307.340 3.620 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530070 1021583228 /nfs/dbraw/zinc/58/32/28/1021583228.db2.gz WUMQNMIZDBDWHE-VHKYSDTDSA-N 1 0 310.441 3.972 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccoc1)c1cc(Br)ccc1O ZINC000850530683 1021585978 /nfs/dbraw/zinc/58/59/78/1021585978.db2.gz AYQUBOZNWIMRLQ-SNVBAGLBSA-N 1 0 310.191 3.641 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536844 1021589342 /nfs/dbraw/zinc/58/93/42/1021589342.db2.gz KHWJOQQWZRXLBN-HOCLYGCPSA-N 1 0 301.361 3.576 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(N2CCCCC2)cc1 ZINC000850546767 1021597117 /nfs/dbraw/zinc/59/71/17/1021597117.db2.gz ORMTVQKIOHDIDM-IPELMVKDSA-N 1 0 314.473 3.631 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c(O)c1C ZINC000850550783 1021597342 /nfs/dbraw/zinc/59/73/42/1021597342.db2.gz OIFNUQCCGUIICU-AWEZNQCLSA-N 1 0 313.445 3.861 20 10 DHCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567828 1021611035 /nfs/dbraw/zinc/61/10/35/1021611035.db2.gz KGARVDCUAMOCAM-HNNXBMFYSA-N 1 0 304.478 3.562 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379630257 1021612427 /nfs/dbraw/zinc/61/24/27/1021612427.db2.gz PIEVLRYFWVMHRK-PXNSSMCTSA-N 1 0 324.468 3.843 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000850570178 1021612868 /nfs/dbraw/zinc/61/28/68/1021612868.db2.gz FERGMXSNRUCVPZ-CZUORRHYSA-N 1 0 303.446 3.737 20 10 DHCDRO CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(C)cc1O ZINC000850572407 1021614315 /nfs/dbraw/zinc/61/43/15/1021614315.db2.gz CNQVMFDCDNOPEA-INIZCTEOSA-N 1 0 318.461 3.567 20 10 DHCDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(C)cc1O ZINC000850572408 1021615346 /nfs/dbraw/zinc/61/53/46/1021615346.db2.gz CNQVMFDCDNOPEA-MRXNPFEDSA-N 1 0 318.461 3.567 20 10 DHCDRO C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1cc(F)ccc1O ZINC000850573301 1021615878 /nfs/dbraw/zinc/61/58/78/1021615878.db2.gz KKKPMUMQZOCJKN-GFCCVEGCSA-N 1 0 323.408 3.694 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1C ZINC000850577744 1021618710 /nfs/dbraw/zinc/61/87/10/1021618710.db2.gz HHHJOURJKDPBPX-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850583551 1021622707 /nfs/dbraw/zinc/62/27/07/1021622707.db2.gz LJSDXZVJSMFDGM-JFVXACQESA-N 1 0 315.388 3.791 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000850583965 1021624336 /nfs/dbraw/zinc/62/43/36/1021624336.db2.gz OZQIXMZDMBWAPY-YSSFQJQWSA-N 1 0 312.457 3.915 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000182441592 1021654009 /nfs/dbraw/zinc/65/40/09/1021654009.db2.gz MDAGMOVGNDUZOI-SNVBAGLBSA-N 1 0 304.415 3.586 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@H]2CCCC[C@@H]2C)c1 ZINC000182446629 1021655729 /nfs/dbraw/zinc/65/57/29/1021655729.db2.gz STZZRELZKINYMN-DEYYWGMASA-N 1 0 307.434 3.647 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c(O)c1OC ZINC000893004523 1021784996 /nfs/dbraw/zinc/78/49/96/1021784996.db2.gz JZARHDNBFLTIDQ-NSHDSACASA-N 1 0 321.442 3.500 20 10 DHCDRO CC(C)[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000919807051 1021910145 /nfs/dbraw/zinc/91/01/45/1021910145.db2.gz PTCOBLHNPLUVKJ-UHFFFAOYSA-N 1 0 320.477 3.695 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000851950425 1022050239 /nfs/dbraw/zinc/05/02/39/1022050239.db2.gz OXVJJOWGDOYBOX-GFCCVEGCSA-N 1 0 317.364 3.651 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000920184126 1022073189 /nfs/dbraw/zinc/07/31/89/1022073189.db2.gz ZKNXRUCVKVNAAC-HXUWFJFHSA-N 1 0 324.468 3.839 20 10 DHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000183375901 1022120978 /nfs/dbraw/zinc/12/09/78/1022120978.db2.gz DAGALEUEWIEWFX-SFHVURJKSA-N 1 0 313.397 3.747 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1N(C)C ZINC000852596355 1022148485 /nfs/dbraw/zinc/14/84/85/1022148485.db2.gz LFCJBAFWWOUNDB-QUCCMNQESA-N 1 0 316.489 3.842 20 10 DHCDRO CC[C@H]([NH2+]CCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000766514208 1022151892 /nfs/dbraw/zinc/15/18/92/1022151892.db2.gz HVCTXLBULLHVET-SFHVURJKSA-N 1 0 312.461 3.691 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000183517162 1022169124 /nfs/dbraw/zinc/16/91/24/1022169124.db2.gz UQLPIBURRHGGGK-HOCLYGCPSA-N 1 0 314.404 3.851 20 10 DHCDRO CCC[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1O ZINC000110990121 1022190444 /nfs/dbraw/zinc/19/04/44/1022190444.db2.gz MLRBDFPYWFKZDQ-UHFFFAOYSA-N 1 0 322.408 3.968 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000121333363 1022223779 /nfs/dbraw/zinc/22/37/79/1022223779.db2.gz PEHPJAYLFXGASB-LMMKCTJWSA-N 1 0 316.489 3.879 20 10 DHCDRO Cc1nc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000756391698 1022230147 /nfs/dbraw/zinc/23/01/47/1022230147.db2.gz GERGNBSAKRHHNY-LBPRGKRZSA-N 1 0 316.470 3.929 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O ZINC000853240159 1022242097 /nfs/dbraw/zinc/24/20/97/1022242097.db2.gz GZRAWZCFXPWAGU-XJKSGUPXSA-N 1 0 319.445 3.801 20 10 DHCDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000853239582 1022242644 /nfs/dbraw/zinc/24/26/44/1022242644.db2.gz IFYMYKJFTIPPQT-MRXNPFEDSA-N 1 0 312.461 3.744 20 10 DHCDRO CCc1cccc2c(CC[NH2+]Cc3cccc(OC)c3O)c[nH]c21 ZINC000111397716 1022287859 /nfs/dbraw/zinc/28/78/59/1022287859.db2.gz GFRVQEQOJHXMOS-UHFFFAOYSA-N 1 0 324.424 3.777 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)oc1ccccc12 ZINC000853595918 1022297468 /nfs/dbraw/zinc/29/74/68/1022297468.db2.gz ZZBAAYXKVPRQEZ-UHFFFAOYSA-N 1 0 309.365 3.514 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000363866694 1022355470 /nfs/dbraw/zinc/35/54/70/1022355470.db2.gz PCSAIBIWJIZNEL-HNNXBMFYSA-N 1 0 321.424 3.952 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000183804505 1022412907 /nfs/dbraw/zinc/41/29/07/1022412907.db2.gz XYJGKOQWNYUZEC-MRXNPFEDSA-N 1 0 319.445 3.563 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2c(C)noc2C)cc1 ZINC000756482226 1022454740 /nfs/dbraw/zinc/45/47/40/1022454740.db2.gz PXYLJILTFMMGHT-UHFFFAOYSA-N 1 0 315.461 3.812 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000237608182 1022459449 /nfs/dbraw/zinc/45/94/49/1022459449.db2.gz DJNZEGCHBNOXHH-QZTJIDSGSA-N 1 0 324.468 3.978 20 10 DHCDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1O ZINC000179561521 1022470190 /nfs/dbraw/zinc/47/01/90/1022470190.db2.gz BNDKJSPBSWZDCI-UHFFFAOYSA-N 1 0 321.424 3.847 20 10 DHCDRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179578486 1022473560 /nfs/dbraw/zinc/47/35/60/1022473560.db2.gz OUPPCTRFQLFOTP-MRXNPFEDSA-N 1 0 313.372 3.626 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000185405466 1022483681 /nfs/dbraw/zinc/48/36/81/1022483681.db2.gz CXKJAGNNWUQZKZ-OLZOCXBDSA-N 1 0 301.361 3.748 20 10 DHCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112380384 1022499405 /nfs/dbraw/zinc/49/94/05/1022499405.db2.gz UXGUNVURRFDMSU-QFBILLFUSA-N 1 0 304.478 3.564 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206022787 1022565907 /nfs/dbraw/zinc/56/59/07/1022565907.db2.gz CTEDRHYTSAZBIT-WDEREUQCSA-N 1 0 317.260 3.506 20 10 DHCDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1O ZINC000179883406 1022574148 /nfs/dbraw/zinc/57/41/48/1022574148.db2.gz IPSWTOLBKKRVPB-UHFFFAOYSA-N 1 0 311.303 3.765 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000276140505 1022621373 /nfs/dbraw/zinc/62/13/73/1022621373.db2.gz DYEKFRHSBCGETI-CYBMUJFWSA-N 1 0 303.324 3.564 20 10 DHCDRO COC1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCC1 ZINC000180195892 1022659345 /nfs/dbraw/zinc/65/93/45/1022659345.db2.gz MGLZSEQXGFLSCM-MRXNPFEDSA-N 1 0 302.462 3.897 20 10 DHCDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000318995242 1022729593 /nfs/dbraw/zinc/72/95/93/1022729593.db2.gz NMSXKSWJEMIZKW-LSDHHAIUSA-N 1 0 300.446 3.926 20 10 DHCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000113923855 1022754260 /nfs/dbraw/zinc/75/42/60/1022754260.db2.gz YHYYIMLBVHLISV-AWEZNQCLSA-N 1 0 321.461 3.644 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463656 1022793647 /nfs/dbraw/zinc/79/36/47/1022793647.db2.gz FXSDEFBUEWSNAJ-OALUTQOASA-N 1 0 322.452 3.634 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C)CCCn2ccnc2)cc1C(C)C ZINC000767755974 1022798717 /nfs/dbraw/zinc/79/87/17/1022798717.db2.gz OBMCWDWZEMVVGA-UHFFFAOYSA-N 1 0 301.434 3.543 20 10 DHCDRO C[N@H+](CCC[C@H]1CCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000876512039 1033083429 /nfs/dbraw/zinc/08/34/29/1033083429.db2.gz YOPDRIIWZLQFLP-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000068973654 1022824274 /nfs/dbraw/zinc/82/42/74/1022824274.db2.gz VKGWXMWUVRVIGF-UHFFFAOYSA-N 1 0 300.358 3.713 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000173346637 1022831584 /nfs/dbraw/zinc/83/15/84/1022831584.db2.gz NGQSZPBHVAQPHZ-QGZVFWFLSA-N 1 0 324.468 3.746 20 10 DHCDRO Cc1ccccc1C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876534396 1033084609 /nfs/dbraw/zinc/08/46/09/1033084609.db2.gz RBQBYGSOKKQCQL-UHFFFAOYSA-N 1 0 324.468 3.588 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000767929248 1022844885 /nfs/dbraw/zinc/84/48/85/1022844885.db2.gz MGSURLVQOCQMIK-UHFFFAOYSA-N 1 0 324.468 3.718 20 10 DHCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000768168452 1022910003 /nfs/dbraw/zinc/91/00/03/1022910003.db2.gz IGSUVRHQQQEORC-UHFFFAOYSA-N 1 0 321.804 3.695 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000876558122 1033091339 /nfs/dbraw/zinc/09/13/39/1033091339.db2.gz IIOUENLSLVRBOG-HXUWFJFHSA-N 1 0 311.425 3.646 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)c(O)c1 ZINC000768211438 1022924117 /nfs/dbraw/zinc/92/41/17/1022924117.db2.gz YFZZYNPZHBDLRX-GFCCVEGCSA-N 1 0 303.427 3.972 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857061995 1022940694 /nfs/dbraw/zinc/94/06/94/1022940694.db2.gz FQAAWKNTWSTTGL-ZDUSSCGKSA-N 1 0 301.261 3.735 20 10 DHCDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000768252978 1022933998 /nfs/dbraw/zinc/93/39/98/1022933998.db2.gz SXIJZCWVAGOZCC-NSHDSACASA-N 1 0 319.788 3.967 20 10 DHCDRO Cc1ccc([C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000768269340 1022935963 /nfs/dbraw/zinc/93/59/63/1022935963.db2.gz RHTDNWAPGVZNHU-AWEZNQCLSA-N 1 0 313.397 3.931 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000857064844 1022940927 /nfs/dbraw/zinc/94/09/27/1022940927.db2.gz DXKCOZDKQFUIPS-VIFPVBQESA-N 1 0 324.635 3.728 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000857080594 1022943926 /nfs/dbraw/zinc/94/39/26/1022943926.db2.gz JESMDEOHNKSLEK-DTWKUNHWSA-N 1 0 320.177 3.851 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC000768365178 1022952709 /nfs/dbraw/zinc/95/27/09/1022952709.db2.gz QRTFUKCKCLRKPL-KRWDZBQOSA-N 1 0 311.425 3.856 20 10 DHCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCCC1 ZINC000768440277 1022967455 /nfs/dbraw/zinc/96/74/55/1022967455.db2.gz PZQWELGFMASQCB-GOSISDBHSA-N 1 0 319.445 3.753 20 10 DHCDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)cc1C ZINC000768450102 1022969095 /nfs/dbraw/zinc/96/90/95/1022969095.db2.gz HQZJQZYKIWEOIY-OAHLLOKOSA-N 1 0 315.388 3.838 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCOC1 ZINC000768520568 1022978006 /nfs/dbraw/zinc/97/80/06/1022978006.db2.gz BZDGKSISTRJASS-SFHVURJKSA-N 1 0 302.462 3.535 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@H]2CCOC2)cc1F ZINC000768521850 1022980706 /nfs/dbraw/zinc/98/07/06/1022980706.db2.gz WNNKLUAGQBYTKM-MRXNPFEDSA-N 1 0 308.441 3.530 20 10 DHCDRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000297207967 1023017912 /nfs/dbraw/zinc/01/79/12/1023017912.db2.gz GLLNOGBUHSVKBE-AWEZNQCLSA-N 1 0 312.404 3.609 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000768913002 1023054738 /nfs/dbraw/zinc/05/47/38/1023054738.db2.gz PNBAOELGKURENL-INIZCTEOSA-N 1 0 315.388 3.747 20 10 DHCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000768913751 1023055578 /nfs/dbraw/zinc/05/55/78/1023055578.db2.gz RTRCGMKGXNNYLI-HLIPFELVSA-N 1 0 315.505 3.590 20 10 DHCDRO COc1cccc(O)c1C[N@H+](C)CCCOc1ccccc1C ZINC000768921175 1023057825 /nfs/dbraw/zinc/05/78/25/1023057825.db2.gz ZGMOKLFTZHFNBQ-UHFFFAOYSA-N 1 0 315.413 3.610 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c(O)c1 ZINC000768932003 1023060351 /nfs/dbraw/zinc/06/03/51/1023060351.db2.gz YQQFSRFZBXPYTA-AWEZNQCLSA-N 1 0 313.397 3.747 20 10 DHCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769005240 1023078057 /nfs/dbraw/zinc/07/80/57/1023078057.db2.gz ARXXVZVRKKWYHO-GFCCVEGCSA-N 1 0 314.223 3.538 20 10 DHCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000756589263 1023086976 /nfs/dbraw/zinc/08/69/76/1023086976.db2.gz LDPKMTXIPYDSKC-UBHSHLNASA-N 1 0 323.458 3.504 20 10 DHCDRO CN(C)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769301829 1023115871 /nfs/dbraw/zinc/11/58/71/1023115871.db2.gz GKIHPVLBROELPI-IBGZPJMESA-N 1 0 310.441 3.585 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000769315688 1023119201 /nfs/dbraw/zinc/11/92/01/1023119201.db2.gz KQWRTJVWFXOBHJ-SFHVURJKSA-N 1 0 316.489 3.789 20 10 DHCDRO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000769313552 1023119611 /nfs/dbraw/zinc/11/96/11/1023119611.db2.gz UMOUOVNMKJZSMW-FQEVSTJZSA-N 1 0 324.472 3.711 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000769340318 1023129573 /nfs/dbraw/zinc/12/95/73/1023129573.db2.gz WDXJJTYKMKTOKQ-HNNXBMFYSA-N 1 0 315.388 3.920 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000769388803 1023139229 /nfs/dbraw/zinc/13/92/29/1023139229.db2.gz HVBDZSRJDSXZLQ-NSHDSACASA-N 1 0 322.202 3.737 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000769403204 1023141659 /nfs/dbraw/zinc/14/16/59/1023141659.db2.gz APEJZKKOQYINLE-UHFFFAOYSA-N 1 0 317.433 3.817 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000769410666 1023143596 /nfs/dbraw/zinc/14/35/96/1023143596.db2.gz AIDGDMICWFKLRA-JKSUJKDBSA-N 1 0 302.462 3.753 20 10 DHCDRO Oc1cc2c(cc1C[N@@H+]1CCCCC[C@H]1c1ccco1)OCO2 ZINC000769428595 1023146278 /nfs/dbraw/zinc/14/62/78/1023146278.db2.gz UKCHIZFTHYAGDG-AWEZNQCLSA-N 1 0 315.369 3.831 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(O)c1 ZINC000769425404 1023146568 /nfs/dbraw/zinc/14/65/68/1023146568.db2.gz HFWBDUXNRIGWRX-SFHVURJKSA-N 1 0 312.413 3.831 20 10 DHCDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769426329 1023146652 /nfs/dbraw/zinc/14/66/52/1023146652.db2.gz PZSBEDQFPFRWHD-IBGZPJMESA-N 1 0 302.462 3.534 20 10 DHCDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cccc(OC)c1O ZINC000769425579 1023146782 /nfs/dbraw/zinc/14/67/82/1023146782.db2.gz QTCFWPSJZCQQED-UHFFFAOYSA-N 1 0 317.404 3.995 20 10 DHCDRO CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000769481966 1023151556 /nfs/dbraw/zinc/15/15/56/1023151556.db2.gz DHSACEVCRIOZME-SFHVURJKSA-N 1 0 319.832 3.910 20 10 DHCDRO CCC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451813 1023155510 /nfs/dbraw/zinc/15/55/10/1023155510.db2.gz OILFOFOIQKULRQ-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000769447600 1023156719 /nfs/dbraw/zinc/15/67/19/1023156719.db2.gz YOBPFWIPCAHIAD-HXUWFJFHSA-N 1 0 310.441 3.635 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000769493006 1023166790 /nfs/dbraw/zinc/16/67/90/1023166790.db2.gz QDTYFOYHLFZQRB-INIZCTEOSA-N 1 0 309.837 3.969 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000769499959 1023166943 /nfs/dbraw/zinc/16/69/43/1023166943.db2.gz YAADKMRHWLUSCP-DOTOQJQBSA-N 1 0 307.459 3.651 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000769493032 1023167290 /nfs/dbraw/zinc/16/72/90/1023167290.db2.gz QYMNNYMJHFYUOI-SFHVURJKSA-N 1 0 319.445 3.715 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194431793 1023170607 /nfs/dbraw/zinc/17/06/07/1023170607.db2.gz BYGUFSQRCOGICJ-IBGZPJMESA-N 1 0 300.446 3.705 20 10 DHCDRO CN(C)c1cccc(C[N@H+](C)Cc2c(O)cccc2Cl)c1 ZINC000769537205 1023175611 /nfs/dbraw/zinc/17/56/11/1023175611.db2.gz IVDOOJWVWUMLPL-UHFFFAOYSA-N 1 0 304.821 3.744 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c1 ZINC000769935445 1023249684 /nfs/dbraw/zinc/24/96/84/1023249684.db2.gz DICFUATYFNPPDU-UHFFFAOYSA-N 1 0 312.388 3.664 20 10 DHCDRO C[NH+](C)Cc1ccc(NCc2c(O)cccc2Cl)cc1F ZINC000770428959 1023310348 /nfs/dbraw/zinc/31/03/48/1023310348.db2.gz MBCMESMIBXIRQF-UHFFFAOYSA-N 1 0 308.784 3.858 20 10 DHCDRO COCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000756644740 1023322627 /nfs/dbraw/zinc/32/26/27/1023322627.db2.gz BNXDEYCGRDAEKY-TZMCWYRMSA-N 1 0 307.409 3.876 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000770750103 1023347822 /nfs/dbraw/zinc/34/78/22/1023347822.db2.gz ZKEXPAHRBWZKST-FZKQIMNGSA-N 1 0 303.377 3.706 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cnccc2C)ccc1OC ZINC000770744766 1023347839 /nfs/dbraw/zinc/34/78/39/1023347839.db2.gz BIILGNPWCSPZNK-HNNXBMFYSA-N 1 0 314.429 3.786 20 10 DHCDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876743586 1033131095 /nfs/dbraw/zinc/13/10/95/1033131095.db2.gz JHNURRUZYHZGKW-HXUWFJFHSA-N 1 0 316.489 3.660 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000771839103 1023473793 /nfs/dbraw/zinc/47/37/93/1023473793.db2.gz GCJJSSOGBBTJQS-GOSISDBHSA-N 1 0 310.441 3.535 20 10 DHCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000771869926 1023479460 /nfs/dbraw/zinc/47/94/60/1023479460.db2.gz XQHNFPCXKQFVIB-OAHLLOKOSA-N 1 0 319.445 3.526 20 10 DHCDRO OC1CCN(c2ccc(C[NH+]3C4CCCC3CCC4)cc2)CC1 ZINC000876770085 1033140230 /nfs/dbraw/zinc/14/02/30/1033140230.db2.gz IGNKDPMRLSAVND-UHFFFAOYSA-N 1 0 314.473 3.555 20 10 DHCDRO Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(O)c1 ZINC000876778663 1033141128 /nfs/dbraw/zinc/14/11/28/1033141128.db2.gz LKAANDZDTMGVCG-GUYCJALGSA-N 1 0 303.427 3.724 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1C ZINC000785614084 1023598518 /nfs/dbraw/zinc/59/85/18/1023598518.db2.gz IWOARBKASQQSAQ-QGZVFWFLSA-N 1 0 323.795 3.625 20 10 DHCDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000164371184 1023613950 /nfs/dbraw/zinc/61/39/50/1023613950.db2.gz RKAGYBXBOHMVPY-AWEZNQCLSA-N 1 0 306.425 3.503 20 10 DHCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000785990256 1023648790 /nfs/dbraw/zinc/64/87/90/1023648790.db2.gz ZYVZEUSUWVPKRL-UWVAXJGDSA-N 1 0 316.489 3.658 20 10 DHCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000786583213 1023708667 /nfs/dbraw/zinc/70/86/67/1023708667.db2.gz OYRJKUHZAUJVAM-AEFFLSMTSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000786574888 1023710971 /nfs/dbraw/zinc/71/09/71/1023710971.db2.gz HRGSYLAWGMAWJD-FUHWJXTLSA-N 1 0 313.441 3.572 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764010 1023743117 /nfs/dbraw/zinc/74/31/17/1023743117.db2.gz CUWNANCVOZWLBJ-AAEUAGOBSA-N 1 0 311.372 3.813 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCSC1 ZINC000787039451 1023751520 /nfs/dbraw/zinc/75/15/20/1023751520.db2.gz JDNNUMKRVKVKPF-KRWDZBQOSA-N 1 0 304.503 3.862 20 10 DHCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000788258753 1023866200 /nfs/dbraw/zinc/86/62/00/1023866200.db2.gz IULGUTXEGKYKLW-YJBOKZPZSA-N 1 0 314.477 3.577 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccccc1O ZINC000788260245 1023867368 /nfs/dbraw/zinc/86/73/68/1023867368.db2.gz XFJWBJQIRQSMQF-JKSUJKDBSA-N 1 0 301.434 3.606 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1C ZINC000788540135 1023901572 /nfs/dbraw/zinc/90/15/72/1023901572.db2.gz RHEKXDDKDCJYLQ-PMACEKPBSA-N 1 0 313.441 3.851 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccnc(OC)c2)cc1 ZINC000788544130 1023902764 /nfs/dbraw/zinc/90/27/64/1023902764.db2.gz CTMSUXIGXAPFIZ-OAHLLOKOSA-N 1 0 313.445 3.787 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)c(O)c1 ZINC000788527210 1023905739 /nfs/dbraw/zinc/90/57/39/1023905739.db2.gz IGMXWTLGXMRLPN-XYPHTWIQSA-N 1 0 304.478 3.780 20 10 DHCDRO Cc1ccc(O)c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000788533460 1023907031 /nfs/dbraw/zinc/90/70/31/1023907031.db2.gz YVMPPEXYGRKQBG-KRWDZBQOSA-N 1 0 312.413 3.698 20 10 DHCDRO CC1=CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000788566055 1023908224 /nfs/dbraw/zinc/90/82/24/1023908224.db2.gz YEHAVNGNHATFON-WMZOPIPTSA-N 1 0 300.446 3.673 20 10 DHCDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1=O ZINC000788605703 1023912776 /nfs/dbraw/zinc/91/27/76/1023912776.db2.gz CADSYTQMBNZZNY-AWEZNQCLSA-N 1 0 322.408 3.578 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1F ZINC000746755618 1023918032 /nfs/dbraw/zinc/91/80/32/1023918032.db2.gz OZPITXZZWRTPJD-HOTGVXAUSA-N 1 0 308.441 3.719 20 10 DHCDRO CCOC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093838893 1023929689 /nfs/dbraw/zinc/92/96/89/1023929689.db2.gz OGONAHZNVUOLLK-INIZCTEOSA-N 1 0 311.425 3.918 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1 ZINC000788765361 1023931195 /nfs/dbraw/zinc/93/11/95/1023931195.db2.gz NIDSBUGRFCURAO-JXFKEZNVSA-N 1 0 313.441 3.957 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c(O)c1 ZINC000788736483 1023932050 /nfs/dbraw/zinc/93/20/50/1023932050.db2.gz GEQPKONJCHIIAJ-WMZOPIPTSA-N 1 0 313.441 3.653 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c(O)c1 ZINC000788815685 1023939679 /nfs/dbraw/zinc/93/96/79/1023939679.db2.gz PQWUOGJLHSJGEO-NVXWUHKLSA-N 1 0 305.462 3.848 20 10 DHCDRO CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000788982312 1023958680 /nfs/dbraw/zinc/95/86/80/1023958680.db2.gz XDOLOAXLQFBIGF-LFUGVXIPSA-N 1 0 307.409 3.874 20 10 DHCDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000185482171 1024028967 /nfs/dbraw/zinc/02/89/67/1024028967.db2.gz LHRCXKNIBVIIBM-DZGCQCFKSA-N 1 0 301.430 3.993 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876925917 1033183344 /nfs/dbraw/zinc/18/33/44/1033183344.db2.gz HOGNXGSILDDSRY-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1 ZINC000789589277 1024119707 /nfs/dbraw/zinc/11/97/07/1024119707.db2.gz KLYPXAUVTOHXLC-HNNXBMFYSA-N 1 0 314.404 3.550 20 10 DHCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000789586078 1024119875 /nfs/dbraw/zinc/11/98/75/1024119875.db2.gz JUGKCKQWSIVSCP-IBGZPJMESA-N 1 0 313.441 3.699 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000789768575 1024160800 /nfs/dbraw/zinc/16/08/00/1024160800.db2.gz IXKUJNKUZHKJRC-UHFFFAOYSA-N 1 0 301.695 3.753 20 10 DHCDRO Cc1cccc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1O ZINC000789778935 1024166246 /nfs/dbraw/zinc/16/62/46/1024166246.db2.gz VVPJWPPQJQZJAG-KRWDZBQOSA-N 1 0 312.413 3.698 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(N(C)C)cc1 ZINC000268836763 1024173913 /nfs/dbraw/zinc/17/39/13/1024173913.db2.gz DRXLVTFWDPVWPB-LJQANCHMSA-N 1 0 322.456 3.950 20 10 DHCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000213532268 1024180047 /nfs/dbraw/zinc/18/00/47/1024180047.db2.gz DEDWJTYEDQCEEJ-RXVVDRJESA-N 1 0 322.452 3.621 20 10 DHCDRO CSc1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000883012275 1024209845 /nfs/dbraw/zinc/20/98/45/1024209845.db2.gz AGCQKIYVFFKNRC-UHFFFAOYSA-N 1 0 300.474 3.730 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697826760 1033195184 /nfs/dbraw/zinc/19/51/84/1033195184.db2.gz XYYHVUYVBCGOQZ-KGLIPLIRSA-N 1 0 322.449 3.512 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000131003504 1024245883 /nfs/dbraw/zinc/24/58/83/1024245883.db2.gz PRWGOIHYRDLQNF-OPAMFIHVSA-N 1 0 324.534 3.512 20 10 DHCDRO CC(C)c1cccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000662535260 1024247712 /nfs/dbraw/zinc/24/77/12/1024247712.db2.gz KLFOHHXIBMUMOP-UHFFFAOYSA-N 1 0 308.425 3.732 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccncc2N)c(C)n1-c1cccc(C)c1 ZINC000883190861 1024278366 /nfs/dbraw/zinc/27/83/66/1024278366.db2.gz NJRPRXMQOYVPLL-UHFFFAOYSA-N 1 0 320.440 3.670 20 10 DHCDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000131242959 1024299880 /nfs/dbraw/zinc/29/98/80/1024299880.db2.gz XTKMBAYPMVHJCX-HNNXBMFYSA-N 1 0 314.429 3.529 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CCC2(O)CCC2)cc1 ZINC000790637631 1024341320 /nfs/dbraw/zinc/34/13/20/1024341320.db2.gz KRJZASKMDYNVIC-UHFFFAOYSA-N 1 0 304.478 3.708 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000790617850 1024343968 /nfs/dbraw/zinc/34/39/68/1024343968.db2.gz DCLUOVIFSJPBLN-UHFFFAOYSA-N 1 0 322.456 3.741 20 10 DHCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000883321092 1024377159 /nfs/dbraw/zinc/37/71/59/1024377159.db2.gz KQMQFJNDNZAZMU-XYJFISCASA-N 1 0 302.462 3.753 20 10 DHCDRO C[C@](O)(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790988297 1024411713 /nfs/dbraw/zinc/41/17/13/1024411713.db2.gz MKLNQCBLKRGFKW-KRWDZBQOSA-N 1 0 323.795 3.572 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c(O)c1 ZINC000883382687 1024415374 /nfs/dbraw/zinc/41/53/74/1024415374.db2.gz LIFHBOAPCFODTQ-IEBWSBKVSA-N 1 0 315.388 3.906 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1F ZINC000790995236 1024416006 /nfs/dbraw/zinc/41/60/06/1024416006.db2.gz IIFHUBBMQAPVKR-QGZVFWFLSA-N 1 0 314.404 3.765 20 10 DHCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H]1CCCOC1 ZINC000271147494 1024461852 /nfs/dbraw/zinc/46/18/52/1024461852.db2.gz BJKUILBFYHVJLX-INIZCTEOSA-N 1 0 311.425 3.918 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)c(O)c1OC ZINC000893620994 1024478928 /nfs/dbraw/zinc/47/89/28/1024478928.db2.gz IDRAGIGKJUPJFY-UHFFFAOYSA-N 1 0 323.339 3.637 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)c1 ZINC000877037184 1033214044 /nfs/dbraw/zinc/21/40/44/1033214044.db2.gz WGCPTKURWUUNQV-LJQANCHMSA-N 1 0 315.413 3.657 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1N(C)C ZINC000271539989 1024534363 /nfs/dbraw/zinc/53/43/63/1024534363.db2.gz UEVZRCSYIVZBKM-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO CN(C)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000282844965 1024552569 /nfs/dbraw/zinc/55/25/69/1024552569.db2.gz CXFKSUBIKNLHCK-INIZCTEOSA-N 1 0 322.811 3.577 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccccc32)c1O ZINC000228670072 1024603669 /nfs/dbraw/zinc/60/36/69/1024603669.db2.gz TUDPHSBPXBUDSE-OAHLLOKOSA-N 1 0 303.789 3.831 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000228668800 1024603853 /nfs/dbraw/zinc/60/38/53/1024603853.db2.gz OAUMUHXIXVPVEH-NSHDSACASA-N 1 0 309.793 3.758 20 10 DHCDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000193891586 1024608185 /nfs/dbraw/zinc/60/81/85/1024608185.db2.gz BETQUWTUKMTUJR-CQSZACIVSA-N 1 0 315.413 3.788 20 10 DHCDRO C[N@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC000792250548 1024653124 /nfs/dbraw/zinc/65/31/24/1024653124.db2.gz UURUDSCPUOHOQT-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202628446 1024688174 /nfs/dbraw/zinc/68/81/74/1024688174.db2.gz HCJAGINRXHORQN-HNNXBMFYSA-N 1 0 301.478 3.697 20 10 DHCDRO CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001170225029 1024711846 /nfs/dbraw/zinc/71/18/46/1024711846.db2.gz WVWXXJBNONHNAR-RBUKOAKNSA-N 1 0 302.462 3.676 20 10 DHCDRO CC[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001170225026 1024712323 /nfs/dbraw/zinc/71/23/23/1024712323.db2.gz WVWXXJBNONHNAR-MOPGFXCFSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1[nH+]ccc(NCc2c(O)ccc(Cl)c2F)c1Cl ZINC000792688258 1024782369 /nfs/dbraw/zinc/78/23/69/1024782369.db2.gz DKFCRGULBPCANG-UHFFFAOYSA-N 1 0 301.148 3.576 20 10 DHCDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877083868 1033234456 /nfs/dbraw/zinc/23/44/56/1033234456.db2.gz GNERKEUMMOZHCZ-UHFFFAOYSA-N 1 0 307.340 3.900 20 10 DHCDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000747100278 1024891321 /nfs/dbraw/zinc/89/13/21/1024891321.db2.gz SRMQTPLIBKFWSO-HUUCEWRRSA-N 1 0 311.425 3.912 20 10 DHCDRO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000319953907 1024909270 /nfs/dbraw/zinc/90/92/70/1024909270.db2.gz UOZMFYZNYKPCHF-CRAIPNDOSA-N 1 0 314.477 3.715 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000793188102 1024930764 /nfs/dbraw/zinc/93/07/64/1024930764.db2.gz BZKBJIXYRQUNJB-NSHDSACASA-N 1 0 318.408 3.614 20 10 DHCDRO CC(C)C1C[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793193612 1024931806 /nfs/dbraw/zinc/93/18/06/1024931806.db2.gz WURWZFGPDVMHJL-UHFFFAOYSA-N 1 0 317.433 3.673 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232528 1024949935 /nfs/dbraw/zinc/94/99/35/1024949935.db2.gz XBIPCXPGDHDARO-LDYMZIIASA-N 1 0 323.742 3.827 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cc1OC ZINC000793369739 1025009162 /nfs/dbraw/zinc/00/91/62/1025009162.db2.gz LCVGJENQDSMYPH-CQSZACIVSA-N 1 0 307.434 3.668 20 10 DHCDRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(OC)cc1O ZINC000793388849 1025032627 /nfs/dbraw/zinc/03/26/27/1025032627.db2.gz JKJBITUMKPLRFD-UHFFFAOYSA-N 1 0 311.381 3.999 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1O ZINC000279648061 1025123535 /nfs/dbraw/zinc/12/35/35/1025123535.db2.gz DSXXDEQLWRGBEC-INIZCTEOSA-N 1 0 301.361 3.707 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000793622973 1025135157 /nfs/dbraw/zinc/13/51/57/1025135157.db2.gz CVNHSPWHCJEDOM-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000320249155 1025211100 /nfs/dbraw/zinc/21/11/00/1025211100.db2.gz PKSJJUDQIZPMFW-CQSZACIVSA-N 1 0 307.397 3.942 20 10 DHCDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178582292 1025306525 /nfs/dbraw/zinc/30/65/25/1025306525.db2.gz UMPLLSCOLCQTCX-CABCVRRESA-N 1 0 308.441 3.605 20 10 DHCDRO Cc1cccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000897465845 1025368713 /nfs/dbraw/zinc/36/87/13/1025368713.db2.gz IZWGDTKVDIQOHL-ZDUSSCGKSA-N 1 0 300.358 3.502 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCC(F)F)cc1 ZINC000885901829 1025402198 /nfs/dbraw/zinc/40/21/98/1025402198.db2.gz UFLJVQVRVOKOAE-UHFFFAOYSA-N 1 0 320.383 3.686 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1OCC(F)F)c1ccccc1O ZINC000886185685 1025551983 /nfs/dbraw/zinc/55/19/83/1025551983.db2.gz DLUJQROQRRIPJT-GFCCVEGCSA-N 1 0 307.340 3.887 20 10 DHCDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000806131170 1025774317 /nfs/dbraw/zinc/77/43/17/1025774317.db2.gz HSBYPKMIHVNJQU-WBVHZDCISA-N 1 0 320.452 3.577 20 10 DHCDRO COC1(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)CCC1 ZINC000759988371 1025811862 /nfs/dbraw/zinc/81/18/62/1025811862.db2.gz IRAYOQKQHPPHOF-HNNXBMFYSA-N 1 0 302.462 3.506 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168881 1025826335 /nfs/dbraw/zinc/82/63/35/1025826335.db2.gz DPKYSSAAVUPJQG-GUYCJALGSA-N 1 0 306.425 3.502 20 10 DHCDRO Clc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000729683964 1025947392 /nfs/dbraw/zinc/94/73/92/1025947392.db2.gz BNDNXTHOAONPTE-UHFFFAOYSA-N 1 0 301.817 3.997 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000089513337 1026056710 /nfs/dbraw/zinc/05/67/10/1026056710.db2.gz ZODDRJZAKULLCI-SFHVURJKSA-N 1 0 313.401 3.902 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000089553128 1026056757 /nfs/dbraw/zinc/05/67/57/1026056757.db2.gz ULJOTFIXZHFAFQ-SJORKVTESA-N 1 0 310.441 3.935 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2COc3c2ccc(C)c3C)c1O ZINC000894136669 1026114833 /nfs/dbraw/zinc/11/48/33/1026114833.db2.gz ANFSWAMGLMAWIC-MRXNPFEDSA-N 1 0 313.397 3.549 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1O ZINC000289703521 1026139507 /nfs/dbraw/zinc/13/95/07/1026139507.db2.gz IULPBRJCEWWJHJ-CRAIPNDOSA-N 1 0 317.454 3.983 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000178849770 1026306029 /nfs/dbraw/zinc/30/60/29/1026306029.db2.gz ZOENEGHHUVIKAS-GOSISDBHSA-N 1 0 315.388 3.722 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894188388 1026339724 /nfs/dbraw/zinc/33/97/24/1026339724.db2.gz XAJGWOOQKLRHTM-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894197185 1026344238 /nfs/dbraw/zinc/34/42/38/1026344238.db2.gz OHIUPZFESZSUNA-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000808691185 1026349653 /nfs/dbraw/zinc/34/96/53/1026349653.db2.gz GBHLOBINCSAYDE-BBRMVZONSA-N 1 0 319.832 3.608 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808691750 1026350060 /nfs/dbraw/zinc/35/00/60/1026350060.db2.gz NOMVWYGIKQZCIT-AAEUAGOBSA-N 1 0 321.852 3.846 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1O ZINC000808672228 1026353599 /nfs/dbraw/zinc/35/35/99/1026353599.db2.gz GZRGNOHGRAMXPH-LLVKDONJSA-N 1 0 319.788 3.934 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c1O ZINC000808676212 1026354444 /nfs/dbraw/zinc/35/44/44/1026354444.db2.gz HMTGTSZCYHVMGV-GFCCVEGCSA-N 1 0 319.836 3.666 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)c1O ZINC000808707006 1026357131 /nfs/dbraw/zinc/35/71/31/1026357131.db2.gz YQNIZRDWSAKZQA-BLLLJJGKSA-N 1 0 311.853 3.946 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc32)c2c1c(F)ccc2O ZINC000808727778 1026357685 /nfs/dbraw/zinc/35/76/85/1026357685.db2.gz LUUVDAPIEMZDCX-TYNCELHUSA-N 1 0 313.372 3.845 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1O ZINC000808710616 1026361255 /nfs/dbraw/zinc/36/12/55/1026361255.db2.gz SJCGKVCWRVBNSD-WBMJQRKESA-N 1 0 311.853 3.802 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)c1O ZINC000808715850 1026366104 /nfs/dbraw/zinc/36/61/04/1026366104.db2.gz XQZVSJZNQSNGPS-QMTHXVAHSA-N 1 0 311.834 3.800 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808720967 1026366571 /nfs/dbraw/zinc/36/65/71/1026366571.db2.gz FOGIDAVNZWLGHQ-UIAACRFSSA-N 1 0 312.457 3.915 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000808721598 1026367255 /nfs/dbraw/zinc/36/72/55/1026367255.db2.gz PAVALESGFADKJE-RZQQEMMASA-N 1 0 312.457 3.915 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000808720969 1026367337 /nfs/dbraw/zinc/36/73/37/1026367337.db2.gz FOGIDAVNZWLGHQ-YSSFQJQWSA-N 1 0 312.457 3.915 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c1O ZINC000808701414 1026375172 /nfs/dbraw/zinc/37/51/72/1026375172.db2.gz XEXFWSIJZDMKIE-YLQAJVPDSA-N 1 0 311.853 3.946 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655580 1026582418 /nfs/dbraw/zinc/58/24/18/1026582418.db2.gz MPFBBLAFKKPOQS-IBGZPJMESA-N 1 0 313.441 3.853 20 10 DHCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700479 1026587648 /nfs/dbraw/zinc/58/76/48/1026587648.db2.gz HJLOGJGLSBXILM-SMDDNHRTSA-N 1 0 315.816 3.700 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280158807 1026602883 /nfs/dbraw/zinc/60/28/83/1026602883.db2.gz QOISSLRXCWXIIA-QGZVFWFLSA-N 1 0 315.413 3.959 20 10 DHCDRO CN(CCC[N@H+](C)Cc1c(O)cccc1Cl)Cc1ccco1 ZINC000809719331 1026603835 /nfs/dbraw/zinc/60/38/35/1026603835.db2.gz XZJDURIERUFVLK-UHFFFAOYSA-N 1 0 322.836 3.593 20 10 DHCDRO C[NH+](C)CCN(Cc1cccs1)Cc1c(O)cccc1Cl ZINC000809746431 1026612995 /nfs/dbraw/zinc/61/29/95/1026612995.db2.gz RUWDTKSJAJMQAN-UHFFFAOYSA-N 1 0 324.877 3.671 20 10 DHCDRO CN(CC[N@H+](C)C1CC1)Cc1cc(-c2ccccc2)ccc1O ZINC000809754632 1026616953 /nfs/dbraw/zinc/61/69/53/1026616953.db2.gz LEUIXCHONGSEJQ-UHFFFAOYSA-N 1 0 310.441 3.585 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758175 1026618018 /nfs/dbraw/zinc/61/80/18/1026618018.db2.gz FQUFZDJKFJHNDP-KBPBESRZSA-N 1 0 309.837 3.684 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758640 1026618776 /nfs/dbraw/zinc/61/87/76/1026618776.db2.gz SBVIQPCGXQSESQ-UONOGXRCSA-N 1 0 309.837 3.684 20 10 DHCDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc(OC)c1O ZINC000809781133 1026622276 /nfs/dbraw/zinc/62/22/76/1026622276.db2.gz PBIDYLXWZAIUJT-INIZCTEOSA-N 1 0 315.413 3.993 20 10 DHCDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cccc(OC)c1O ZINC000809781134 1026622605 /nfs/dbraw/zinc/62/26/05/1026622605.db2.gz PBIDYLXWZAIUJT-MRXNPFEDSA-N 1 0 315.413 3.993 20 10 DHCDRO CC[C@H]([NH2+]CC1(SC)CCOCC1)c1ccc(C)cc1O ZINC000280265644 1026623234 /nfs/dbraw/zinc/62/32/34/1026623234.db2.gz XMURRTSNLXXSEQ-HNNXBMFYSA-N 1 0 309.475 3.654 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(C)cc1O ZINC000280297847 1026628538 /nfs/dbraw/zinc/62/85/38/1026628538.db2.gz ZQHSVVHBEUKUHU-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000810125110 1026683605 /nfs/dbraw/zinc/68/36/05/1026683605.db2.gz ACWYETSTHBJGHG-UHFFFAOYSA-N 1 0 324.346 3.767 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1C ZINC000810171411 1026693616 /nfs/dbraw/zinc/69/36/16/1026693616.db2.gz XVYGRQPDFWYUKJ-GOSISDBHSA-N 1 0 317.454 3.643 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810215456 1026708819 /nfs/dbraw/zinc/70/88/19/1026708819.db2.gz FVFCYDKGSDJBHZ-GWCFXTLKSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810217207 1026709766 /nfs/dbraw/zinc/70/97/66/1026709766.db2.gz YTJVIYBOWNPJDI-AAEUAGOBSA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810214723 1026710130 /nfs/dbraw/zinc/71/01/30/1026710130.db2.gz HIGFQXWJSGZYKM-MFKMUULPSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]CCN1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810207827 1026716301 /nfs/dbraw/zinc/71/63/01/1026716301.db2.gz PGTICFOMKHNVKP-CQSZACIVSA-N 1 0 316.367 3.548 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000810259243 1026718479 /nfs/dbraw/zinc/71/84/79/1026718479.db2.gz FPXXLJDXOMUBHT-UZLBHIALSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)OC ZINC000810261056 1026720839 /nfs/dbraw/zinc/72/08/39/1026720839.db2.gz SVPGPPRVLNMUDH-AAEUAGOBSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810240164 1026725588 /nfs/dbraw/zinc/72/55/88/1026725588.db2.gz PXSBGYIEJGUHGI-BXUZGUMPSA-N 1 0 319.367 3.716 20 10 DHCDRO CC[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238990 1026725874 /nfs/dbraw/zinc/72/58/74/1026725874.db2.gz UWVGPYACNHEJOH-MMWSSPAHSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1O ZINC000810248870 1026729753 /nfs/dbraw/zinc/72/97/53/1026729753.db2.gz HNSZSWHVAJTNDC-CQSZACIVSA-N 1 0 319.836 3.748 20 10 DHCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810256832 1026730838 /nfs/dbraw/zinc/73/08/38/1026730838.db2.gz DTYXAGQORDIMQQ-KFWWJZLASA-N 1 0 308.441 3.890 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Br)ccc1O ZINC000810257993 1026731037 /nfs/dbraw/zinc/73/10/37/1026731037.db2.gz XTXSCODHXKHDBW-BREBYQMCSA-N 1 0 316.239 3.619 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811510805 1027026432 /nfs/dbraw/zinc/02/64/32/1027026432.db2.gz PICRGUAYWKSYMD-GDBMZVCRSA-N 1 0 309.837 3.743 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1O ZINC000271760656 1027140487 /nfs/dbraw/zinc/14/04/87/1027140487.db2.gz YINBWNNLLZVRNI-UHFFFAOYSA-N 1 0 315.417 3.587 20 10 DHCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000271791301 1027147684 /nfs/dbraw/zinc/14/76/84/1027147684.db2.gz GRDJWGLIEXUFKY-AUUYWEPGSA-N 1 0 315.413 3.575 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000271874285 1027170189 /nfs/dbraw/zinc/17/01/89/1027170189.db2.gz XHFYHUGUSTXOEA-APPDUMDISA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1O ZINC001170668033 1027209438 /nfs/dbraw/zinc/20/94/38/1027209438.db2.gz DZLSCWOLLSZNLY-RISCZKNCSA-N 1 0 303.352 3.879 20 10 DHCDRO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@H]1CCOC1 ZINC000812296348 1027247994 /nfs/dbraw/zinc/24/79/94/1027247994.db2.gz PJSBBLCHGGPBPK-ZDUSSCGKSA-N 1 0 315.413 3.628 20 10 DHCDRO CCOC(=O)CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC1 ZINC000747786817 1027251060 /nfs/dbraw/zinc/25/10/60/1027251060.db2.gz LOROOEBYSCFQDT-UHFFFAOYSA-N 1 0 319.445 3.742 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CC(c3ccccc3F)C2)c1O ZINC000812791665 1027407209 /nfs/dbraw/zinc/40/72/09/1027407209.db2.gz ZSEGUPWBIDJTAO-UHFFFAOYSA-N 1 0 321.779 3.793 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(C)cc3)CC2)cc1 ZINC000812833582 1027437334 /nfs/dbraw/zinc/43/73/34/1027437334.db2.gz QQYINHOUQKYGRY-UHFFFAOYSA-N 1 0 324.468 3.805 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3(C4CC4)CCC3)CC2)cc1 ZINC000812840399 1027439725 /nfs/dbraw/zinc/43/97/25/1027439725.db2.gz VHFUJEKLUCZKRM-UHFFFAOYSA-N 1 0 314.473 3.834 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000812840111 1027440414 /nfs/dbraw/zinc/44/04/14/1027440414.db2.gz FHERIZOHDBNQJE-ZCNNSNEGSA-N 1 0 316.489 3.658 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000894280063 1027486986 /nfs/dbraw/zinc/48/69/86/1027486986.db2.gz GNCFGXBFNFMEAZ-CQSZACIVSA-N 1 0 301.411 3.646 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C/c2ccc(F)cc2)c1 ZINC000813330644 1027608680 /nfs/dbraw/zinc/60/86/80/1027608680.db2.gz BOEACULDZBCYTE-OOPCZODUSA-N 1 0 301.361 3.904 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CCO2 ZINC000296584097 1027675518 /nfs/dbraw/zinc/67/55/18/1027675518.db2.gz WGZWNZAZCGXOBY-JKSUJKDBSA-N 1 0 311.381 3.502 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CCO2 ZINC000296584096 1027676535 /nfs/dbraw/zinc/67/65/35/1027676535.db2.gz WGZWNZAZCGXOBY-HOTGVXAUSA-N 1 0 311.381 3.502 20 10 DHCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000813792487 1027715122 /nfs/dbraw/zinc/71/51/22/1027715122.db2.gz ZFHGFQHBDYVBTE-UHFFFAOYSA-N 1 0 312.369 3.555 20 10 DHCDRO Oc1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000778994250 1027730380 /nfs/dbraw/zinc/73/03/80/1027730380.db2.gz ISLRVYHVACYCMZ-UHFFFAOYSA-N 1 0 301.361 3.617 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000778996878 1027739602 /nfs/dbraw/zinc/73/96/02/1027739602.db2.gz UYTZBWACOZJKDV-SJLPKXTDSA-N 1 0 304.478 3.778 20 10 DHCDRO COCC[N@H+](CCCc1ccccc1)Cc1cc(F)ccc1O ZINC000779002720 1027751743 /nfs/dbraw/zinc/75/17/43/1027751743.db2.gz NLWRCPMHAYWGCG-UHFFFAOYSA-N 1 0 317.404 3.613 20 10 DHCDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000779004616 1027758851 /nfs/dbraw/zinc/75/88/51/1027758851.db2.gz XODRXFHBEHOHSW-MRXNPFEDSA-N 1 0 322.452 3.808 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000778215662 1027903761 /nfs/dbraw/zinc/90/37/61/1027903761.db2.gz CBCZQUZKAKAEHZ-ICSRJNTNSA-N 1 0 318.505 3.954 20 10 DHCDRO CC(C)=CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365252548 1027911409 /nfs/dbraw/zinc/91/14/09/1027911409.db2.gz WFIXQJJCJYZCRI-UHFFFAOYSA-N 1 0 310.388 3.813 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527947021 1027979494 /nfs/dbraw/zinc/97/94/94/1027979494.db2.gz JMEXIWPABBEMSC-WMZOPIPTSA-N 1 0 302.462 3.840 20 10 DHCDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000527929229 1027988850 /nfs/dbraw/zinc/98/88/50/1027988850.db2.gz PGKGPNSIJVALBF-HUUCEWRRSA-N 1 0 303.446 3.738 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1C ZINC000528001253 1028025249 /nfs/dbraw/zinc/02/52/49/1028025249.db2.gz MFKRAYZLOGOMEG-DOTOQJQBSA-N 1 0 302.462 3.677 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528000667 1028025624 /nfs/dbraw/zinc/02/56/24/1028025624.db2.gz KLGUUWDOGLADAT-RDJZCZTQSA-N 1 0 306.425 3.589 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000528006715 1028032879 /nfs/dbraw/zinc/03/28/79/1028032879.db2.gz NRKYHXMRXUQDJI-TUYISWAISA-N 1 0 317.351 3.874 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccccc1O ZINC000528043639 1028058708 /nfs/dbraw/zinc/05/87/08/1028058708.db2.gz OSLXLJAVASXHQE-QFBILLFUSA-N 1 0 312.413 3.988 20 10 DHCDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C2CC2)cn1 ZINC000528042616 1028059657 /nfs/dbraw/zinc/05/96/57/1028059657.db2.gz FZWGTXWHTIPCED-ADLMAVQZSA-N 1 0 316.376 3.737 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(F)cn1 ZINC000779063954 1028136561 /nfs/dbraw/zinc/13/65/61/1028136561.db2.gz FAFRPKYFXSYMEH-QGZVFWFLSA-N 1 0 301.409 3.836 20 10 DHCDRO CC[C@@H]([NH2+]CCCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810208311 1028164564 /nfs/dbraw/zinc/16/45/64/1028164564.db2.gz ATLJFFKGKDFFAG-CYBMUJFWSA-N 1 0 305.340 3.878 20 10 DHCDRO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000779082793 1028195585 /nfs/dbraw/zinc/19/55/85/1028195585.db2.gz QZSVFGWIBXYUET-HNNXBMFYSA-N 1 0 323.440 3.575 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000779091899 1028226043 /nfs/dbraw/zinc/22/60/43/1028226043.db2.gz YZFHDZAZAJZZMV-ZYHUDNBSSA-N 1 0 305.315 3.990 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159925360 1028321389 /nfs/dbraw/zinc/32/13/89/1028321389.db2.gz KCOHHLLAJTUKPR-KSSFIOAISA-N 1 0 318.486 3.763 20 10 DHCDRO Cc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc1N(C)C ZINC000815092444 1028344246 /nfs/dbraw/zinc/34/42/46/1028344246.db2.gz HAWLKCTYFDMNSJ-UHFFFAOYSA-N 1 0 324.468 3.545 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1 ZINC000815114076 1028360077 /nfs/dbraw/zinc/36/00/77/1028360077.db2.gz NXOKABCTXPBXCZ-UHFFFAOYSA-N 1 0 321.424 3.621 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000815120316 1028366644 /nfs/dbraw/zinc/36/66/44/1028366644.db2.gz PSKZEKFGVSAYJQ-UHFFFAOYSA-N 1 0 324.424 3.516 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000815120008 1028366912 /nfs/dbraw/zinc/36/69/12/1028366912.db2.gz LZPTYLXJNNBRLU-QZTJIDSGSA-N 1 0 302.462 3.532 20 10 DHCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000815159143 1028387191 /nfs/dbraw/zinc/38/71/91/1028387191.db2.gz KAKNAYXOWQHAFU-FOIQADDNSA-N 1 0 311.425 3.700 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c(O)c1C ZINC000368653551 1028388287 /nfs/dbraw/zinc/38/82/87/1028388287.db2.gz SUXHQMYPYMWRNW-JVPBZIDWSA-N 1 0 303.446 3.865 20 10 DHCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000779149182 1028439529 /nfs/dbraw/zinc/43/95/29/1028439529.db2.gz BPTUQMSVPOUFMS-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccccc1O ZINC000188724744 1028527583 /nfs/dbraw/zinc/52/75/83/1028527583.db2.gz IWXBTKCDXHXOEQ-LBPRGKRZSA-N 1 0 307.340 3.887 20 10 DHCDRO COc1ccc(OCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815556332 1028541656 /nfs/dbraw/zinc/54/16/56/1028541656.db2.gz SPUQZUTUHPFEAT-OAHLLOKOSA-N 1 0 315.413 3.747 20 10 DHCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000815651219 1028594022 /nfs/dbraw/zinc/59/40/22/1028594022.db2.gz NYCBEGVDUSVLAN-BEFAXECRSA-N 1 0 302.462 3.753 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000815651482 1028595117 /nfs/dbraw/zinc/59/51/17/1028595117.db2.gz UVGPQVURASQCJO-DZGCQCFKSA-N 1 0 317.351 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1C ZINC000370373875 1028597747 /nfs/dbraw/zinc/59/77/47/1028597747.db2.gz LDRMBORARKNJOG-HNAYVOBHSA-N 1 0 310.441 3.846 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000370464897 1028606156 /nfs/dbraw/zinc/60/61/56/1028606156.db2.gz PKOFGVWVVSUJGJ-HNNXBMFYSA-N 1 0 319.788 3.668 20 10 DHCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCCOCC1 ZINC001170805745 1028648513 /nfs/dbraw/zinc/64/85/13/1028648513.db2.gz WFICUHRWBCXBDZ-KSSFIOAISA-N 1 0 303.446 3.791 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@H](c3cccs3)C[C@@H]2C)c1O ZINC000371397866 1028702690 /nfs/dbraw/zinc/70/26/90/1028702690.db2.gz FMGICWYLPPAPRE-GXTWGEPZSA-N 1 0 303.427 3.840 20 10 DHCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccsc3)C[C@H]2C)c1O ZINC000372405581 1028848228 /nfs/dbraw/zinc/84/82/28/1028848228.db2.gz WMYDBIAFEUPKJA-IUODEOHRSA-N 1 0 303.427 3.840 20 10 DHCDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816498181 1028905840 /nfs/dbraw/zinc/90/58/40/1028905840.db2.gz JZBKIOJRLXEQNJ-UHFFFAOYSA-N 1 0 312.457 3.852 20 10 DHCDRO OCCC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816504174 1028909047 /nfs/dbraw/zinc/90/90/47/1028909047.db2.gz BMMJDGCFZFTGLU-UHFFFAOYSA-N 1 0 321.420 3.930 20 10 DHCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816519456 1028920294 /nfs/dbraw/zinc/92/02/94/1028920294.db2.gz JSERGWNJNZXBGG-GOSISDBHSA-N 1 0 321.424 3.788 20 10 DHCDRO CC(C)C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N(C)C ZINC000816534720 1028923941 /nfs/dbraw/zinc/92/39/41/1028923941.db2.gz RZBHQESCPVEOBU-QGZVFWFLSA-N 1 0 300.446 3.611 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816537731 1028926553 /nfs/dbraw/zinc/92/65/53/1028926553.db2.gz PTYXIWVHNKUDKH-LJQANCHMSA-N 1 0 307.393 3.677 20 10 DHCDRO Cc1ccc2nc(C[NH2+]Cc3ccc4ccccc4c3O)cn2c1 ZINC000816548304 1028929382 /nfs/dbraw/zinc/92/93/82/1028929382.db2.gz CIQVRINVAAJOHS-UHFFFAOYSA-N 1 0 317.392 3.791 20 10 DHCDRO Cc1cccc2nc(C[NH2+]Cc3ccc4ccccc4c3O)cn21 ZINC000816547361 1028929723 /nfs/dbraw/zinc/92/97/23/1028929723.db2.gz TXIQIDGSMWFHGE-UHFFFAOYSA-N 1 0 317.392 3.791 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc2ccccc21 ZINC000816550363 1028929772 /nfs/dbraw/zinc/92/97/72/1028929772.db2.gz OZIYEHXGDWNDGP-FQEVSTJZSA-N 1 0 319.404 3.949 20 10 DHCDRO Oc1c(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc2ccccc21 ZINC000816529090 1028936037 /nfs/dbraw/zinc/93/60/37/1028936037.db2.gz GDJFVEQSQGAHFU-UHFFFAOYSA-N 1 0 321.376 3.606 20 10 DHCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589764 1028939609 /nfs/dbraw/zinc/93/96/09/1028939609.db2.gz HOZWCKBVARCPCX-MRXNPFEDSA-N 1 0 315.816 3.558 20 10 DHCDRO Oc1c(C[NH2+]CCc2cnc(C3CC3)nc2)ccc2ccccc21 ZINC000816559727 1028946161 /nfs/dbraw/zinc/94/61/61/1028946161.db2.gz SQJACYUYNDVEDR-UHFFFAOYSA-N 1 0 319.408 3.545 20 10 DHCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)C1CCCCC1 ZINC000816649903 1028974925 /nfs/dbraw/zinc/97/49/25/1028974925.db2.gz NSAIYSKRORQUKZ-GOSISDBHSA-N 1 0 313.441 3.824 20 10 DHCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000816659552 1028981873 /nfs/dbraw/zinc/98/18/73/1028981873.db2.gz SBSVBUHWQYYKSP-INIZCTEOSA-N 1 0 303.789 3.699 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667924 1028991034 /nfs/dbraw/zinc/99/10/34/1028991034.db2.gz ZZDVZFDSVXHHQQ-QGZVFWFLSA-N 1 0 311.425 3.936 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817410442 1029152102 /nfs/dbraw/zinc/15/21/02/1029152102.db2.gz MJKNOYAUTLMDRZ-MRXNPFEDSA-N 1 0 304.503 3.684 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000779344870 1029169972 /nfs/dbraw/zinc/16/99/72/1029169972.db2.gz YNXVRUSIVAZOPP-SFHVURJKSA-N 1 0 301.409 3.774 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccncc1Cl ZINC000817574217 1029201534 /nfs/dbraw/zinc/20/15/34/1029201534.db2.gz MHIWHMFLGFORHW-ZDUSSCGKSA-N 1 0 315.848 3.968 20 10 DHCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000817585210 1029215570 /nfs/dbraw/zinc/21/55/70/1029215570.db2.gz CQGZBSXPHXWICI-RRQGHBQHSA-N 1 0 303.446 3.879 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155359075 1029227203 /nfs/dbraw/zinc/22/72/03/1029227203.db2.gz JTFHZOYWKOPTQD-HUUCEWRRSA-N 1 0 300.402 3.528 20 10 DHCDRO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000155463143 1029234934 /nfs/dbraw/zinc/23/49/34/1029234934.db2.gz PAGKWVGBABHUJP-GDBMZVCRSA-N 1 0 305.462 3.733 20 10 DHCDRO CCCN(CCC)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817865147 1029267393 /nfs/dbraw/zinc/26/73/93/1029267393.db2.gz JAHRKGWPJDHZIN-UHFFFAOYSA-N 1 0 315.505 3.641 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)s1 ZINC000817938119 1029281144 /nfs/dbraw/zinc/28/11/44/1029281144.db2.gz DUQYPXKLKKDKBE-UGSOOPFHSA-N 1 0 317.502 3.782 20 10 DHCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000817938105 1029284613 /nfs/dbraw/zinc/28/46/13/1029284613.db2.gz DQVGICRXSVAHHB-KBXCAEBGSA-N 1 0 323.440 3.849 20 10 DHCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000817942217 1029285954 /nfs/dbraw/zinc/28/59/54/1029285954.db2.gz NAJVSPOSGLGFAI-RTWAWAEBSA-N 1 0 323.484 3.883 20 10 DHCDRO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817942950 1029288437 /nfs/dbraw/zinc/28/84/37/1029288437.db2.gz SABKXNXJRUVSRP-RTBURBONSA-N 1 0 315.436 3.632 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000817955753 1029294029 /nfs/dbraw/zinc/29/40/29/1029294029.db2.gz HAGVNAZXTQWDAZ-MRXNPFEDSA-N 1 0 302.418 3.777 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1O ZINC000817957103 1029296794 /nfs/dbraw/zinc/29/67/94/1029296794.db2.gz IZZMLWNLXNTUBI-LBPRGKRZSA-N 1 0 304.821 3.830 20 10 DHCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000817956271 1029297962 /nfs/dbraw/zinc/29/79/62/1029297962.db2.gz VIFLBZVALRTVJL-HXUWFJFHSA-N 1 0 322.452 3.804 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817967661 1029308134 /nfs/dbraw/zinc/30/81/34/1029308134.db2.gz AEFNJNSHLBWKRD-RISCZKNCSA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817970278 1029310956 /nfs/dbraw/zinc/31/09/56/1029310956.db2.gz QHTXQZVSFWMONS-LPEHRKFASA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Cl)ccc1O ZINC000817974694 1029313098 /nfs/dbraw/zinc/31/30/98/1029313098.db2.gz NRGPHVOKPWTMPL-SJKOYZFVSA-N 1 0 316.832 3.583 20 10 DHCDRO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817976765 1029314268 /nfs/dbraw/zinc/31/42/68/1029314268.db2.gz SXFSRLATRDXDKI-QWRGUYRKSA-N 1 0 304.356 3.579 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980495 1029318335 /nfs/dbraw/zinc/31/83/35/1029318335.db2.gz CAXMYDZKYXTNPZ-NRUUGDAUSA-N 1 0 317.260 3.867 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985282 1029324215 /nfs/dbraw/zinc/32/42/15/1029324215.db2.gz IWPRUZDGNWUJJL-IUODEOHRSA-N 1 0 308.853 3.761 20 10 DHCDRO CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984118 1029324407 /nfs/dbraw/zinc/32/44/07/1029324407.db2.gz NKIUVDIGHSZQNZ-AWEZNQCLSA-N 1 0 317.260 3.882 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3csc(C)c3)C2)cc1 ZINC000818220629 1029355583 /nfs/dbraw/zinc/35/55/83/1029355583.db2.gz HRUFHHNOWKDZID-OAHLLOKOSA-N 1 0 316.470 3.681 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000818341984 1029372056 /nfs/dbraw/zinc/37/20/56/1029372056.db2.gz JVKOKHNFZCJRSU-BEFAXECRSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C2)cc1 ZINC000818341707 1029373317 /nfs/dbraw/zinc/37/33/17/1029373317.db2.gz DIQISQHXTPJWME-JKSUJKDBSA-N 1 0 304.478 3.936 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1C[C@@H]1C ZINC000818341525 1029375651 /nfs/dbraw/zinc/37/56/51/1029375651.db2.gz ABYHKAKAWSOYQZ-LNMJFAINSA-N 1 0 302.462 3.546 20 10 DHCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000818357140 1029383193 /nfs/dbraw/zinc/38/31/93/1029383193.db2.gz YNMZDBBMYBSEND-CQSZACIVSA-N 1 0 319.445 3.727 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)c(O)c1 ZINC000529555142 1029409575 /nfs/dbraw/zinc/40/95/75/1029409575.db2.gz FRYXNIMTRJVCLH-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO CC[C@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000865659857 1029966376 /nfs/dbraw/zinc/96/63/76/1029966376.db2.gz GLSDCTSMGPGILN-SFHVURJKSA-N 1 0 317.360 3.675 20 10 DHCDRO Cc1ncc([C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000865703105 1029981147 /nfs/dbraw/zinc/98/11/47/1029981147.db2.gz ULQXJRHXOJCESN-SZZPACECSA-N 1 0 301.459 3.882 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC23CCOCC3)cc1 ZINC000865778265 1030019097 /nfs/dbraw/zinc/01/90/97/1030019097.db2.gz ROZRCLHBJYCCJT-OAJJDEHYSA-N 1 0 314.473 3.562 20 10 DHCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000822455158 1030030071 /nfs/dbraw/zinc/03/00/71/1030030071.db2.gz ALCUPKGASAJHGM-MSOLQXFVSA-N 1 0 304.503 3.907 20 10 DHCDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000290425041 1030042735 /nfs/dbraw/zinc/04/27/35/1030042735.db2.gz KYJWGJIBZPORHI-KRWDZBQOSA-N 1 0 313.397 3.565 20 10 DHCDRO c1cnc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000866227699 1030167708 /nfs/dbraw/zinc/16/77/08/1030167708.db2.gz BNXRERMIMOMPHE-HXUWFJFHSA-N 1 0 307.441 3.849 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4ncccc43)ccc21 ZINC000866248887 1030178670 /nfs/dbraw/zinc/17/86/70/1030178670.db2.gz UAYCDXVLKIZFTF-IBGZPJMESA-N 1 0 307.441 3.631 20 10 DHCDRO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]CCCSc1nccs1 ZINC000866270188 1030192630 /nfs/dbraw/zinc/19/26/30/1030192630.db2.gz SYTLQUXBQLZINW-OCCSQVGLSA-N 1 0 324.446 3.687 20 10 DHCDRO F[C@@H]1COc2ccccc2[C@H]1[NH2+]CCCSc1nccs1 ZINC000866270189 1030193236 /nfs/dbraw/zinc/19/32/36/1030193236.db2.gz SYTLQUXBQLZINW-TZMCWYRMSA-N 1 0 324.446 3.687 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(O)cc(F)c1 ZINC000924862147 1030210937 /nfs/dbraw/zinc/21/09/37/1030210937.db2.gz OVDZBVUVMBMOBT-NSHDSACASA-N 1 0 306.356 3.587 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CC1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866480500 1030318173 /nfs/dbraw/zinc/31/81/73/1030318173.db2.gz FBOPZMSSDRFJLU-WBVHZDCISA-N 1 0 301.430 3.709 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000823585098 1030327294 /nfs/dbraw/zinc/32/72/94/1030327294.db2.gz URKHTYYPVJUOQJ-KRWDZBQOSA-N 1 0 316.470 3.653 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c(O)c1C ZINC000866512910 1030338258 /nfs/dbraw/zinc/33/82/58/1030338258.db2.gz PTRFRRMYMKTYGX-QILLFSRXSA-N 1 0 303.446 3.865 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000866516555 1030342581 /nfs/dbraw/zinc/34/25/81/1030342581.db2.gz BYPHOVNSXNYHLA-FFLHNBHYSA-N 1 0 312.404 3.584 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccnc(Cl)c3F)ccc21 ZINC000823729430 1030384986 /nfs/dbraw/zinc/38/49/86/1030384986.db2.gz GLNWQIAVMHAARJ-UHFFFAOYSA-N 1 0 319.811 3.546 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)c1O ZINC000866621794 1030409835 /nfs/dbraw/zinc/40/98/35/1030409835.db2.gz KCZSTVZAJIGKEF-NWDGAFQWSA-N 1 0 312.369 3.954 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000866634937 1030415167 /nfs/dbraw/zinc/41/51/67/1030415167.db2.gz VYJPJSWFLGFCIY-BXUZGUMPSA-N 1 0 305.809 3.736 20 10 DHCDRO COCC1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824018500 1030464057 /nfs/dbraw/zinc/46/40/57/1030464057.db2.gz SDGAXTYCHMMLRU-UHFFFAOYSA-N 1 0 316.470 3.653 20 10 DHCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824081001 1030472075 /nfs/dbraw/zinc/47/20/75/1030472075.db2.gz QYIFXZGMHWJYPD-SFHVURJKSA-N 1 0 318.486 3.635 20 10 DHCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824142151 1030480285 /nfs/dbraw/zinc/48/02/85/1030480285.db2.gz KOKPTHPPYAJUCT-LSDHHAIUSA-N 1 0 318.486 3.634 20 10 DHCDRO C[C@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000925772589 1030489994 /nfs/dbraw/zinc/48/99/94/1030489994.db2.gz UTKMBAQNTSLELU-HNNXBMFYSA-N 1 0 310.445 3.505 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCC(C)(F)F)c(C(F)(F)F)c1 ZINC000824483687 1030564930 /nfs/dbraw/zinc/56/49/30/1030564930.db2.gz RQGSHJKGGRLVOJ-UHFFFAOYSA-N 1 0 310.310 3.906 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CC3=CCCCC3)CC2)cc1 ZINC000824537667 1030585591 /nfs/dbraw/zinc/58/55/91/1030585591.db2.gz GTFRWJHKFDWLPB-UHFFFAOYSA-N 1 0 300.446 3.754 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000824716442 1030618777 /nfs/dbraw/zinc/61/87/77/1030618777.db2.gz VCCGSLFWPGWNIQ-ZCNNSNEGSA-N 1 0 316.489 3.658 20 10 DHCDRO COC[C@H](C[NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000824758260 1030638866 /nfs/dbraw/zinc/63/88/66/1030638866.db2.gz QMCPYXHYVKJYIE-INIZCTEOSA-N 1 0 319.832 3.874 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)cc1F ZINC000824815723 1030644711 /nfs/dbraw/zinc/64/47/11/1030644711.db2.gz XQWZCFBMHZOEKS-KDOFPFPSSA-N 1 0 308.441 3.529 20 10 DHCDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000824820857 1030648406 /nfs/dbraw/zinc/64/84/06/1030648406.db2.gz OWVWGNQPPTVXRT-HNNXBMFYSA-N 1 0 312.369 3.680 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000824895340 1030660273 /nfs/dbraw/zinc/66/02/73/1030660273.db2.gz UQOYSPBLWMWVQO-CQSZACIVSA-N 1 0 309.837 3.603 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246907476 1030660691 /nfs/dbraw/zinc/66/06/91/1030660691.db2.gz UOMRTWQXMMFPHH-NVXWUHKLSA-N 1 0 317.454 3.850 20 10 DHCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000825098385 1030710252 /nfs/dbraw/zinc/71/02/52/1030710252.db2.gz HXSSBYGRDKRXTA-XOBRGWDASA-N 1 0 311.425 3.962 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000825133635 1030735753 /nfs/dbraw/zinc/73/57/53/1030735753.db2.gz JVDYPCVWLUDIHB-INIZCTEOSA-N 1 0 311.425 3.966 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1O ZINC000248483329 1030746357 /nfs/dbraw/zinc/74/63/57/1030746357.db2.gz COWDWXFAVRMJOW-APHBMKBZSA-N 1 0 303.381 3.562 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000825215561 1030748730 /nfs/dbraw/zinc/74/87/30/1030748730.db2.gz QKUDXGGGRCZBIB-KRWDZBQOSA-N 1 0 307.459 3.510 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CCO)c2ccccc2)cc1Cl ZINC000825297749 1030767882 /nfs/dbraw/zinc/76/78/82/1030767882.db2.gz MSVRYMVRFBCVGV-OAHLLOKOSA-N 1 0 319.832 3.610 20 10 DHCDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(F)ccc3O)C2)c1 ZINC000825290135 1030769256 /nfs/dbraw/zinc/76/92/56/1030769256.db2.gz QMBMLRISHAIYOW-CZIWCDLHSA-N 1 0 315.388 3.918 20 10 DHCDRO COc1cccc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)c1O ZINC000825321892 1030776019 /nfs/dbraw/zinc/77/60/19/1030776019.db2.gz QIKXIDSEGOKICQ-FQEVSTJZSA-N 1 0 311.425 3.902 20 10 DHCDRO Oc1cccc2c(NCCCSc3nccs3)cc[nH+]c12 ZINC000795094994 1030869034 /nfs/dbraw/zinc/86/90/34/1030869034.db2.gz GFBKBADMDFKEAU-UHFFFAOYSA-N 1 0 317.439 3.991 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1O ZINC000237423524 1030909283 /nfs/dbraw/zinc/90/92/83/1030909283.db2.gz FICFLJAPKCQTGS-WMZOPIPTSA-N 1 0 311.425 3.902 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC000926921513 1030997518 /nfs/dbraw/zinc/99/75/18/1030997518.db2.gz VDDWUUWLEYLCOP-GFCCVEGCSA-N 1 0 302.443 3.887 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000926930269 1031002956 /nfs/dbraw/zinc/00/29/56/1031002956.db2.gz HMYCBWHJJMUSKT-LBPRGKRZSA-N 1 0 302.443 3.539 20 10 DHCDRO COc1c(F)cc(CN2CCc3cccc(O)c3C2)cc1Cl ZINC001143853946 1031019896 /nfs/dbraw/zinc/01/98/96/1031019896.db2.gz MRWHFEOOWFOJHN-UHFFFAOYSA-N 1 0 321.779 3.752 20 10 DHCDRO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000927036592 1031045424 /nfs/dbraw/zinc/04/54/24/1031045424.db2.gz DGICBPSYFHTSAY-MJJDPTRDSA-N 1 0 306.425 3.589 20 10 DHCDRO CC[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1O ZINC000927158188 1031123799 /nfs/dbraw/zinc/12/37/99/1031123799.db2.gz SQISLNYRMOATGS-XKGZKEIXSA-N 1 0 311.425 3.526 20 10 DHCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000292973631 1031278232 /nfs/dbraw/zinc/27/82/32/1031278232.db2.gz MMCNCUDLXNJDKR-UHFFFAOYSA-N 1 0 319.424 3.821 20 10 DHCDRO CCc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000844752476 1031314051 /nfs/dbraw/zinc/31/40/51/1031314051.db2.gz MVMMXYFTSZXJSP-GASCZTMLSA-N 1 0 309.400 3.949 20 10 DHCDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cc(F)ccc1O ZINC000844922896 1031401514 /nfs/dbraw/zinc/40/15/14/1031401514.db2.gz COTQDGAFFMCGPV-BBRMVZONSA-N 1 0 314.404 3.999 20 10 DHCDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844924641 1031403556 /nfs/dbraw/zinc/40/35/56/1031403556.db2.gz NFPKCJPJQRXQFD-JTQLQIEISA-N 1 0 317.260 3.739 20 10 DHCDRO CCCCC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298575 1031435869 /nfs/dbraw/zinc/43/58/69/1031435869.db2.gz GVYULNKCZRIXQW-UHFFFAOYSA-N 1 0 304.203 3.916 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2[O-])C2(CC2)C1 ZINC001144308129 1031459359 /nfs/dbraw/zinc/45/93/59/1031459359.db2.gz QOZNOZJSTNWCON-VIFPVBQESA-N 1 0 314.198 3.668 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872110284 1031501838 /nfs/dbraw/zinc/50/18/38/1031501838.db2.gz GQEYYVPXWKLQOL-VIFPVBQESA-N 1 0 313.266 3.523 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000872123159 1031513899 /nfs/dbraw/zinc/51/38/99/1031513899.db2.gz RZAJZUIQKAOOTA-CQSZACIVSA-N 1 0 312.369 3.788 20 10 DHCDRO CCCN(Cc1nc(C(C)C)ns1)Cc1ccccc1O ZINC000929753096 1031597267 /nfs/dbraw/zinc/59/72/67/1031597267.db2.gz KTWCYKQRUZRPAS-UHFFFAOYSA-N 1 0 305.447 3.779 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000360888939 1031606401 /nfs/dbraw/zinc/60/64/01/1031606401.db2.gz QLIRIYLJGODZKY-DIFFPNOSSA-N 1 0 317.360 3.542 20 10 DHCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001144509537 1031663849 /nfs/dbraw/zinc/66/38/49/1031663849.db2.gz XUOZNVJBMGIFON-OAHLLOKOSA-N 1 0 319.788 3.794 20 10 DHCDRO CC(F)(F)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929972721 1031665664 /nfs/dbraw/zinc/66/56/64/1031665664.db2.gz UBIUGIZISWCCPM-HNNXBMFYSA-N 1 0 313.388 3.809 20 10 DHCDRO Cc1cccc(C[N@H+](Cc2c(O)cc(O)cc2O)C2CC2)c1C ZINC001144516340 1031675528 /nfs/dbraw/zinc/67/55/28/1031675528.db2.gz VPRIBSAMRNXCII-UHFFFAOYSA-N 1 0 313.397 3.585 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1ccnc1 ZINC000293899165 1031685127 /nfs/dbraw/zinc/68/51/27/1031685127.db2.gz WJGHPBWUXCMZAH-IBGZPJMESA-N 1 0 321.424 3.552 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Cn1cccn1 ZINC000873006969 1031691193 /nfs/dbraw/zinc/69/11/93/1031691193.db2.gz DUSAXFDBFKUAGY-INIZCTEOSA-N 1 0 321.424 3.791 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1 ZINC000845924601 1031777745 /nfs/dbraw/zinc/77/77/45/1031777745.db2.gz LXXNYFXTXVXPNH-UHFFFAOYSA-N 1 0 309.413 3.964 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000845927799 1031779867 /nfs/dbraw/zinc/77/98/67/1031779867.db2.gz HHOLPRGSMNVZCG-UHFFFAOYSA-N 1 0 314.404 3.507 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873272977 1031784027 /nfs/dbraw/zinc/78/40/27/1031784027.db2.gz XPLWBHCGQZRXPY-UWVGGRQHSA-N 1 0 317.260 3.738 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000845972472 1031787823 /nfs/dbraw/zinc/78/78/23/1031787823.db2.gz QUFRAJWKQYKZDY-YHUYYLMFSA-N 1 0 319.445 3.647 20 10 DHCDRO CC[C@H](OCC[NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000846020486 1031809390 /nfs/dbraw/zinc/80/93/90/1031809390.db2.gz ITKUSFMHWIVNPV-IBGZPJMESA-N 1 0 315.413 3.658 20 10 DHCDRO CC[C@H](OCC[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000846020681 1031810471 /nfs/dbraw/zinc/81/04/71/1031810471.db2.gz NBODHRPLEMMHAK-SFHVURJKSA-N 1 0 303.377 3.789 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000846102654 1031877379 /nfs/dbraw/zinc/87/73/79/1031877379.db2.gz PTIXIZAXOGOAIC-LBPRGKRZSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)c1O ZINC000846150962 1031882598 /nfs/dbraw/zinc/88/25/98/1031882598.db2.gz UCBWPJRANSUUQY-LLVKDONJSA-N 1 0 306.431 3.832 20 10 DHCDRO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846148153 1031883921 /nfs/dbraw/zinc/88/39/21/1031883921.db2.gz XRUMQTDCKXXQMY-QWRGUYRKSA-N 1 0 306.431 3.832 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3c2cccc3Cl)c1O ZINC000846154821 1031886407 /nfs/dbraw/zinc/88/64/07/1031886407.db2.gz TYPHSODYMQWCDR-YGRLFVJLSA-N 1 0 319.788 3.839 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158424 1031888420 /nfs/dbraw/zinc/88/84/20/1031888420.db2.gz YGPGLSBFCCMPLN-YGRLFVJLSA-N 1 0 304.390 3.808 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000846157884 1031889681 /nfs/dbraw/zinc/88/96/81/1031889681.db2.gz YMDJVMLZEUMSOU-KGLIPLIRSA-N 1 0 305.418 3.543 20 10 DHCDRO COc1cccc([C@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)c1O ZINC000846159554 1031890852 /nfs/dbraw/zinc/89/08/52/1031890852.db2.gz HOKUVIZETXJAKR-AWEZNQCLSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cccc([C@H](C)Nc2cc(C[NH+](C)C)ccc2C)c1O ZINC000846161285 1031892223 /nfs/dbraw/zinc/89/22/23/1031892223.db2.gz ANEOKRIDQJBNQD-AWEZNQCLSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2ncc(C)s2)c1O ZINC000846164984 1031893685 /nfs/dbraw/zinc/89/36/85/1031893685.db2.gz MFOQKMRKMYIWEW-JQWIXIFHSA-N 1 0 306.431 3.620 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000846164266 1031895644 /nfs/dbraw/zinc/89/56/44/1031895644.db2.gz NSBKBHAZCADQBU-YSVLISHTSA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000846169733 1031897927 /nfs/dbraw/zinc/89/79/27/1031897927.db2.gz SHLCIGKQVXNHME-TVQRCGJNSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000846141955 1031900118 /nfs/dbraw/zinc/90/01/18/1031900118.db2.gz ORDPVAWODBOCPB-BZNIZROVSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000846141954 1031900845 /nfs/dbraw/zinc/90/08/45/1031900845.db2.gz ORDPVAWODBOCPB-BDJLRTHQSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c1O ZINC000846140638 1031901011 /nfs/dbraw/zinc/90/10/11/1031901011.db2.gz BURPAXJMQPSXPQ-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(Cl)cc2)c1O ZINC000846142169 1031902881 /nfs/dbraw/zinc/90/28/81/1031902881.db2.gz CSOFKPUCBBLBNQ-LBPRGKRZSA-N 1 0 321.804 3.784 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(F)cc2F)c1O ZINC000846143023 1031904433 /nfs/dbraw/zinc/90/44/33/1031904433.db2.gz CIYSXSMJKFCURK-LLVKDONJSA-N 1 0 307.340 3.572 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846144210 1031906505 /nfs/dbraw/zinc/90/65/05/1031906505.db2.gz LJRKKTGFOFUSKG-OLZOCXBDSA-N 1 0 301.386 3.821 20 10 DHCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209908 1031910588 /nfs/dbraw/zinc/91/05/88/1031910588.db2.gz ITVORHYBXIJVQB-SNVBAGLBSA-N 1 0 318.244 3.902 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146917 1031910862 /nfs/dbraw/zinc/91/08/62/1031910862.db2.gz SWOKXANHXLCXMC-CHWSQXEVSA-N 1 0 303.406 3.590 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(O)c1C ZINC000846183485 1031916364 /nfs/dbraw/zinc/91/63/64/1031916364.db2.gz OTZXEBRGIZBYFR-IYOUNJFTSA-N 1 0 317.404 3.921 20 10 DHCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183973 1031916444 /nfs/dbraw/zinc/91/64/44/1031916444.db2.gz PRBNADHSFCIVGI-NJSLBKSFSA-N 1 0 316.420 3.664 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000846185287 1031920054 /nfs/dbraw/zinc/92/00/54/1031920054.db2.gz AZVOPRJROIOGLH-LXIYXOSZSA-N 1 0 319.832 3.992 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124843199 1031980526 /nfs/dbraw/zinc/98/05/26/1031980526.db2.gz NYWQKMJWFJMWFE-MOPGFXCFSA-N 1 0 316.420 3.666 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@H](c2ccncc2)C2CC2)cc1F ZINC000898320226 1032020956 /nfs/dbraw/zinc/02/09/56/1032020956.db2.gz JXZHKTOJHQRJRP-SFHVURJKSA-N 1 0 317.383 3.667 20 10 DHCDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000772950706 1032042977 /nfs/dbraw/zinc/04/29/77/1032042977.db2.gz ATPMDTYNRWPPHM-GOSISDBHSA-N 1 0 313.441 3.946 20 10 DHCDRO Cc1cccc(O)c1CN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000877469852 1033311326 /nfs/dbraw/zinc/31/13/26/1033311326.db2.gz AKQGRKZMWFMSQK-CYBMUJFWSA-N 1 0 315.417 3.982 20 10 DHCDRO Cc1cccc(O)c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000877527758 1033336516 /nfs/dbraw/zinc/33/65/16/1033336516.db2.gz QLCUSQQGAZEIHV-UHFFFAOYSA-N 1 0 313.445 3.590 20 10 DHCDRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877548021 1033350505 /nfs/dbraw/zinc/35/05/05/1033350505.db2.gz CXEXFNSDVHTIJS-UHFFFAOYSA-N 1 0 318.505 3.810 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000877552451 1033353301 /nfs/dbraw/zinc/35/33/01/1033353301.db2.gz NVNRJTOJERTMKX-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000877563267 1033357043 /nfs/dbraw/zinc/35/70/43/1033357043.db2.gz KCQYGGVRSSGISH-MRXNPFEDSA-N 1 0 305.805 3.519 20 10 DHCDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877578754 1033366762 /nfs/dbraw/zinc/36/67/62/1033366762.db2.gz HOKOSKBDPLPYKA-OXQOHEQNSA-N 1 0 316.489 3.706 20 10 DHCDRO CN(C)c1ccc(F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000877612776 1033381698 /nfs/dbraw/zinc/38/16/98/1033381698.db2.gz OEWSPZUKKGQOEV-UHFFFAOYSA-N 1 0 308.784 3.541 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000877644623 1033395339 /nfs/dbraw/zinc/39/53/39/1033395339.db2.gz XFQGMLMYJHFYEB-KRWDZBQOSA-N 1 0 319.408 3.663 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672698 1033407960 /nfs/dbraw/zinc/40/79/60/1033407960.db2.gz KXWDLWPCIRPNRY-RBUKOAKNSA-N 1 0 311.425 3.653 20 10 DHCDRO Cc1cccc(C[NH+]2CCC(Cc3nccs3)CC2)c1O ZINC000877673698 1033408188 /nfs/dbraw/zinc/40/81/88/1033408188.db2.gz KEQNYIXIPOBLIL-UHFFFAOYSA-N 1 0 302.443 3.612 20 10 DHCDRO Cc1ccc(O)c(C[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000877673630 1033408626 /nfs/dbraw/zinc/40/86/26/1033408626.db2.gz IRVFXHMQMNGODX-UHFFFAOYSA-N 1 0 302.443 3.612 20 10 DHCDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000151077075 1033414839 /nfs/dbraw/zinc/41/48/39/1033414839.db2.gz AOYYRJDKQMRKPF-OAHLLOKOSA-N 1 0 314.429 3.529 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c1O ZINC000877730314 1033423338 /nfs/dbraw/zinc/42/33/38/1033423338.db2.gz VROMWCDQFLJZDL-UHFFFAOYSA-N 1 0 311.303 3.731 20 10 DHCDRO Oc1c(C[NH2+]C[C@@H]2CCC23CCOCC3)ccc2ccccc21 ZINC000877728450 1033423586 /nfs/dbraw/zinc/42/35/86/1033423586.db2.gz PCRJSPVNHOWBGA-KRWDZBQOSA-N 1 0 311.425 3.842 20 10 DHCDRO C[C@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1O ZINC000877757392 1033435408 /nfs/dbraw/zinc/43/54/08/1033435408.db2.gz WXUHBMBKCQIAOL-NSHDSACASA-N 1 0 313.426 3.830 20 10 DHCDRO CO[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172939431 1033477579 /nfs/dbraw/zinc/47/75/79/1033477579.db2.gz POBZUQGDHVIDAI-OALUTQOASA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000927065249 1033481264 /nfs/dbraw/zinc/48/12/64/1033481264.db2.gz GCSOEXULYYXETL-PPHDSNJXSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N2CCCCCC2)cc1 ZINC000151923612 1033490444 /nfs/dbraw/zinc/49/04/44/1033490444.db2.gz KDZORORLZKDQHE-DLBZAZTESA-N 1 0 304.478 3.736 20 10 DHCDRO Cc1cc(C)c(C[NH2+]C2CCC3(CCOCC3)CC2)c(O)c1 ZINC001173042675 1033508536 /nfs/dbraw/zinc/50/85/36/1033508536.db2.gz HRPFSTFRBOJHIK-UHFFFAOYSA-N 1 0 303.446 3.838 20 10 DHCDRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152947179 1033551869 /nfs/dbraw/zinc/55/18/69/1033551869.db2.gz LCAIVIYHNXDDRQ-HNNXBMFYSA-N 1 0 314.404 3.513 20 10 DHCDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000127002651 1033644060 /nfs/dbraw/zinc/64/40/60/1033644060.db2.gz ICAVNUDLDFZSOS-LJQANCHMSA-N 1 0 313.420 3.932 20 10 DHCDRO O=C(C[NH2+][C@H]1CCCC2(CCCCC2)C1)c1ccc(O)c(O)c1 ZINC001173338925 1033695254 /nfs/dbraw/zinc/69/52/54/1033695254.db2.gz CPYFTTXWJVJDBZ-HNNXBMFYSA-N 1 0 317.429 3.763 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000826053308 1033763479 /nfs/dbraw/zinc/76/34/79/1033763479.db2.gz JOWKHSBCMKCMEQ-CYBMUJFWSA-N 1 0 309.837 3.793 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@H+](C)CC2(C)COC2)cc1 ZINC000862477931 1033864118 /nfs/dbraw/zinc/86/41/18/1033864118.db2.gz VGLGXDIFRNTWFG-UHFFFAOYSA-N 1 0 304.478 3.781 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000862485494 1033867778 /nfs/dbraw/zinc/86/77/78/1033867778.db2.gz NOTJSFFSEUKLAF-ZBFHGGJFSA-N 1 0 319.445 3.500 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOC2CCSCC2)cc1 ZINC000898441952 1034019899 /nfs/dbraw/zinc/01/98/99/1034019899.db2.gz GKQKGDNWMNQWES-UHFFFAOYSA-N 1 0 322.518 3.535 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(F)c1 ZINC000879648889 1034071489 /nfs/dbraw/zinc/07/14/89/1034071489.db2.gz FVGAZQGNVZHWTR-CHWSQXEVSA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccccc3O)c2cc1C ZINC000879648369 1034072583 /nfs/dbraw/zinc/07/25/83/1034072583.db2.gz LPZMTLCKJMVVKV-CQSZACIVSA-N 1 0 323.392 3.966 20 10 DHCDRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000879648907 1034072692 /nfs/dbraw/zinc/07/26/92/1034072692.db2.gz FZCAPQRUTAOCLW-CQSZACIVSA-N 1 0 323.396 3.726 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000128233654 1034222155 /nfs/dbraw/zinc/22/21/55/1034222155.db2.gz DOYDKCJLKMUCBH-APWZRJJASA-N 1 0 304.478 3.879 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000128233418 1034222309 /nfs/dbraw/zinc/22/23/09/1034222309.db2.gz DOYDKCJLKMUCBH-QFBILLFUSA-N 1 0 304.478 3.879 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178563733 1034249459 /nfs/dbraw/zinc/24/94/59/1034249459.db2.gz CUKMJJYUNOPTMW-LJQANCHMSA-N 1 0 316.420 3.625 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC(F)F ZINC000178857266 1034269807 /nfs/dbraw/zinc/26/98/07/1034269807.db2.gz SKCSPZZMCYZBRG-UHFFFAOYSA-N 1 0 323.339 3.634 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccccc1O ZINC000183397593 1034382221 /nfs/dbraw/zinc/38/22/21/1034382221.db2.gz BKJSKCDINUEGGA-AWEZNQCLSA-N 1 0 324.424 3.982 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1 ZINC000183447308 1034387271 /nfs/dbraw/zinc/38/72/71/1034387271.db2.gz SGDNAUNMUDAWKP-GOSISDBHSA-N 1 0 312.413 3.913 20 10 DHCDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183449103 1034388113 /nfs/dbraw/zinc/38/81/13/1034388113.db2.gz QTCWEKXEDQQPIF-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183534402 1034397093 /nfs/dbraw/zinc/39/70/93/1034397093.db2.gz HPWDEDJPSAFJMP-ZIAGYGMSSA-N 1 0 301.386 3.519 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183535041 1034397759 /nfs/dbraw/zinc/39/77/59/1034397759.db2.gz RXVFLERGFJHAAO-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644616 1034406528 /nfs/dbraw/zinc/40/65/28/1034406528.db2.gz YVVTZHDULPZLMR-BZNIZROVSA-N 1 0 307.340 3.709 20 10 DHCDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644648 1034408519 /nfs/dbraw/zinc/40/85/19/1034408519.db2.gz YVVTZHDULPZLMR-BDJLRTHQSA-N 1 0 307.340 3.709 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(C)cc1O ZINC000794801759 1034473468 /nfs/dbraw/zinc/47/34/68/1034473468.db2.gz KYRCLDCETOJECI-CYGHRXIMSA-N 1 0 303.446 3.945 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000794808387 1034498901 /nfs/dbraw/zinc/49/89/01/1034498901.db2.gz ASFLLGPCQGDFKC-SNRMKQJTSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000184845418 1034505196 /nfs/dbraw/zinc/50/51/96/1034505196.db2.gz PIUKPSLFYJBRTH-WDEREUQCSA-N 1 0 321.218 3.962 20 10 DHCDRO CC(C)OCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184863206 1034506900 /nfs/dbraw/zinc/50/69/00/1034506900.db2.gz XNLWIZBGSQSYGI-LLVKDONJSA-N 1 0 316.239 3.620 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884691 1034507222 /nfs/dbraw/zinc/50/72/22/1034507222.db2.gz OUYQHHNMBZNIIX-CABCVRRESA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000184918003 1034511712 /nfs/dbraw/zinc/51/17/12/1034511712.db2.gz FIHJVRVJCHBOJA-PXAZEXFGSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000184918308 1034513263 /nfs/dbraw/zinc/51/32/63/1034513263.db2.gz CYQRQLXDNWVXDC-SJKOYZFVSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1csc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000184954774 1034514450 /nfs/dbraw/zinc/51/44/50/1034514450.db2.gz FKRNMJMZYQDTSV-LBPRGKRZSA-N 1 0 302.443 3.887 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000184998944 1034517615 /nfs/dbraw/zinc/51/76/15/1034517615.db2.gz QGOCZFZXJGXRBG-LSDHHAIUSA-N 1 0 314.404 3.708 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(C)cc1O ZINC000794813106 1034520111 /nfs/dbraw/zinc/52/01/11/1034520111.db2.gz BXTNLSJNXKDJTC-LSDHHAIUSA-N 1 0 305.443 3.845 20 10 DHCDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1O ZINC000794815869 1034527051 /nfs/dbraw/zinc/52/70/51/1034527051.db2.gz MAYVKFAFDCTONV-KRWDZBQOSA-N 1 0 314.385 3.892 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000185085564 1034527746 /nfs/dbraw/zinc/52/77/46/1034527746.db2.gz VSEMKDOYQKWJDI-ZDUSSCGKSA-N 1 0 317.408 3.623 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccccc1O ZINC000185211832 1034536074 /nfs/dbraw/zinc/53/60/74/1034536074.db2.gz SZEFGENZYVKPCU-KRWDZBQOSA-N 1 0 303.377 3.919 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000794817789 1034538062 /nfs/dbraw/zinc/53/80/62/1034538062.db2.gz QVGQXJASVMBYLL-DOTOQJQBSA-N 1 0 321.367 3.753 20 10 DHCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000185313170 1034540581 /nfs/dbraw/zinc/54/05/81/1034540581.db2.gz PYSZGYDONLYHBF-AWEZNQCLSA-N 1 0 309.413 3.562 20 10 DHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185349754 1034543489 /nfs/dbraw/zinc/54/34/89/1034543489.db2.gz XPSTUCUCUYVGRC-CHWSQXEVSA-N 1 0 309.413 3.999 20 10 DHCDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1OC ZINC000185452634 1034549555 /nfs/dbraw/zinc/54/95/55/1034549555.db2.gz RBCNUNFAYYGRAS-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000185548864 1034557447 /nfs/dbraw/zinc/55/74/47/1034557447.db2.gz WMCKMBWKRMROBE-ABAIWWIYSA-N 1 0 307.365 3.725 20 10 DHCDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185838976 1034577746 /nfs/dbraw/zinc/57/77/46/1034577746.db2.gz HXVYSFSTMKQRHR-SOZUMNATSA-N 1 0 321.367 3.833 20 10 DHCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186176783 1034606861 /nfs/dbraw/zinc/60/68/61/1034606861.db2.gz RMTHZBZKYANLGT-LLVKDONJSA-N 1 0 321.852 3.755 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532553 1034639044 /nfs/dbraw/zinc/63/90/44/1034639044.db2.gz STYNFEHZFOXTNF-CXAGYDPISA-N 1 0 315.413 3.638 20 10 DHCDRO CCSc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccn1 ZINC000187792238 1034734531 /nfs/dbraw/zinc/73/45/31/1034734531.db2.gz FGFIXYILQHFYJI-NSHDSACASA-N 1 0 306.406 3.889 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000187884017 1034736456 /nfs/dbraw/zinc/73/64/56/1034736456.db2.gz NXMMQDRHBXKIKA-SNRMKQJTSA-N 1 0 302.462 3.631 20 10 DHCDRO CC1(C)CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000187243317 1034737686 /nfs/dbraw/zinc/73/76/86/1034737686.db2.gz PWLRGQGLADYAFK-QGZVFWFLSA-N 1 0 315.413 3.945 20 10 DHCDRO Cc1cc(Nc2ccc(-c3ccc(N)c(O)c3)cc2O)cc(C)[nH+]1 ZINC001176059858 1035199052 /nfs/dbraw/zinc/19/90/52/1035199052.db2.gz IMBHLOGFEQLZOT-UHFFFAOYSA-N 1 0 321.380 3.524 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC ZINC001177092326 1035349208 /nfs/dbraw/zinc/34/92/08/1035349208.db2.gz CBTLSBBNSMUAHU-UHFFFAOYSA-N 1 0 303.377 3.661 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC001177093911 1035349387 /nfs/dbraw/zinc/34/93/87/1035349387.db2.gz VOIDHEVKCGONTE-YJBOKZPZSA-N 1 0 313.445 3.608 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cc(F)cc(F)c2)cc1 ZINC001177612252 1035384615 /nfs/dbraw/zinc/38/46/15/1035384615.db2.gz TVZHWPPZRCQQQJ-ONEGZZNKSA-N 1 0 316.395 3.876 20 10 DHCDRO CCCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC001178152028 1035411583 /nfs/dbraw/zinc/41/15/83/1035411583.db2.gz FHBOFLSTCPYFMB-UHFFFAOYSA-N 1 0 313.445 3.610 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+]CCCc2cccs2)cc1F ZINC001178188063 1035414067 /nfs/dbraw/zinc/41/40/67/1035414067.db2.gz JPNGAOKEQGVNDK-UHFFFAOYSA-N 1 0 310.413 3.815 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC001178238052 1035419352 /nfs/dbraw/zinc/41/93/52/1035419352.db2.gz KXTXWWQOUXKWOY-IBGZPJMESA-N 1 0 309.409 3.797 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000773755872 1035438833 /nfs/dbraw/zinc/43/88/33/1035438833.db2.gz RSYMOSRYRMUGBA-IBGZPJMESA-N 1 0 302.462 3.535 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC001179366116 1035475753 /nfs/dbraw/zinc/47/57/53/1035475753.db2.gz RILXOMOZSAMTPG-KRWDZBQOSA-N 1 0 304.503 3.910 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC001179366117 1035476069 /nfs/dbraw/zinc/47/60/69/1035476069.db2.gz RILXOMOZSAMTPG-QGZVFWFLSA-N 1 0 304.503 3.910 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)ncn3C)c(Cl)c1 ZINC001179602877 1035485117 /nfs/dbraw/zinc/48/51/17/1035485117.db2.gz LBUFZRMHIFIUJX-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO CCN(C)c1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000773833935 1035514809 /nfs/dbraw/zinc/51/48/09/1035514809.db2.gz BAEDNOIFOWVLJX-UHFFFAOYSA-N 1 0 324.472 3.621 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c(O)c1C ZINC000775562573 1035559208 /nfs/dbraw/zinc/55/92/08/1035559208.db2.gz PBBBWTCAKAUMIQ-HNNXBMFYSA-N 1 0 323.440 3.789 20 10 DHCDRO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC001180149091 1035609806 /nfs/dbraw/zinc/60/98/06/1035609806.db2.gz UOAQEJJUAQKDJT-OXQOHEQNSA-N 1 0 311.425 3.971 20 10 DHCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001193575711 1035668297 /nfs/dbraw/zinc/66/82/97/1035668297.db2.gz SYNNBYREBVMPPQ-KXBFYZLASA-N 1 0 304.478 3.999 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@H](C)CC ZINC001193840256 1035737462 /nfs/dbraw/zinc/73/74/62/1035737462.db2.gz YAEAEGWPTSHGPC-RHSMWYFYSA-N 1 0 307.434 3.582 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000153124012 1035756464 /nfs/dbraw/zinc/75/64/64/1035756464.db2.gz WEWAFTBZWYQIKI-VQIMIIECSA-N 1 0 302.462 3.897 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000773889530 1035800769 /nfs/dbraw/zinc/80/07/69/1035800769.db2.gz XCDHULMWRUXARB-CQSZACIVSA-N 1 0 300.368 3.917 20 10 DHCDRO Cc1cccc(OCCC[NH2+]Cc2cc(F)ccc2O)c1C ZINC001181391464 1035911333 /nfs/dbraw/zinc/91/13/33/1035911333.db2.gz YOPFSNSYRUSOMC-UHFFFAOYSA-N 1 0 303.377 3.707 20 10 DHCDRO CCCN(CC[NH+]1CCCCCC1)Cc1cc(F)ccc1O ZINC001182127671 1036101793 /nfs/dbraw/zinc/10/17/93/1036101793.db2.gz OHAMPIFCQSPQGK-UHFFFAOYSA-N 1 0 308.441 3.619 20 10 DHCDRO CC[NH+]1CCC(CN2CCCCc3cc(OC)ccc32)CC1 ZINC001182160050 1036111632 /nfs/dbraw/zinc/11/16/32/1036111632.db2.gz FFAFCVXXARSBRQ-UHFFFAOYSA-N 1 0 302.462 3.570 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000774135987 1036174192 /nfs/dbraw/zinc/17/41/92/1036174192.db2.gz DQGJFPWNNILMHP-TXPKVOOTSA-N 1 0 316.489 3.999 20 10 DHCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(C)c1O ZINC000775644925 1036183440 /nfs/dbraw/zinc/18/34/40/1036183440.db2.gz XXDTUMGGLBVVRK-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO Cc1cccc(C[N@H+](C)CCOc2ccccc2Cl)c1O ZINC000775646982 1036192423 /nfs/dbraw/zinc/19/24/23/1036192423.db2.gz OVZNWUPKGFZXNN-UHFFFAOYSA-N 1 0 305.805 3.865 20 10 DHCDRO Cc1ccccc1CN1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000775649374 1036212150 /nfs/dbraw/zinc/21/21/50/1036212150.db2.gz PGLZJEYYAAOUCL-UHFFFAOYSA-N 1 0 324.468 3.717 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(CC)(CC)CCO)cc1 ZINC000155339125 1036248045 /nfs/dbraw/zinc/24/80/45/1036248045.db2.gz MAUUILHXCVAGGQ-INIZCTEOSA-N 1 0 306.494 3.982 20 10 DHCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(CC)CC ZINC001204335841 1036250276 /nfs/dbraw/zinc/25/02/76/1036250276.db2.gz XMDUBUCTRAMKHR-ZWKOTPCHSA-N 1 0 321.461 3.816 20 10 DHCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775657734 1036261971 /nfs/dbraw/zinc/26/19/71/1036261971.db2.gz GYZRRGBUTOFKBE-GOSISDBHSA-N 1 0 321.424 3.924 20 10 DHCDRO Cc1cccc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000775659299 1036265346 /nfs/dbraw/zinc/26/53/46/1036265346.db2.gz VHYPLTLUUOWFGU-JZXOWHBKSA-N 1 0 302.462 3.538 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774264276 1036266566 /nfs/dbraw/zinc/26/65/66/1036266566.db2.gz AJCAGISTPHTEGQ-GUBZILKMSA-N 1 0 304.217 3.653 20 10 DHCDRO CCCC[C@H](COC)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC001182424075 1036274395 /nfs/dbraw/zinc/27/43/95/1036274395.db2.gz NOMHOMPZKAIFQI-SJLPKXTDSA-N 1 0 306.494 3.787 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000775664560 1036283056 /nfs/dbraw/zinc/28/30/56/1036283056.db2.gz YBYWADATJONXMY-QGZVFWFLSA-N 1 0 315.388 3.747 20 10 DHCDRO Cc1nnc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000774357131 1036313020 /nfs/dbraw/zinc/31/30/20/1036313020.db2.gz YZOOLCCHOQMCQR-ZCFIWIBFSA-N 1 0 318.229 3.710 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc32)cc1C ZINC000914796220 1036345625 /nfs/dbraw/zinc/34/56/25/1036345625.db2.gz YNRLEPSFQIBVEQ-INIZCTEOSA-N 1 0 310.441 3.544 20 10 DHCDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774475419 1036353228 /nfs/dbraw/zinc/35/32/28/1036353228.db2.gz SMUCAWGZPKBKDK-HNNXBMFYSA-N 1 0 314.477 3.908 20 10 DHCDRO CCc1cccc(C[N@H+](CC2CC2)[C@@](C)(CC)C(=O)OC)c1O ZINC001182480999 1036368456 /nfs/dbraw/zinc/36/84/56/1036368456.db2.gz YDLNMTZKYHRHSI-IBGZPJMESA-N 1 0 319.445 3.508 20 10 DHCDRO Cc1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000775681912 1036413262 /nfs/dbraw/zinc/41/32/62/1036413262.db2.gz UQELJHFHRVHULN-UHFFFAOYSA-N 1 0 319.832 3.739 20 10 DHCDRO CCC1(CC)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001182883486 1036473736 /nfs/dbraw/zinc/47/37/36/1036473736.db2.gz ZFGPFJAMHIQYMD-UHFFFAOYSA-N 1 0 307.434 3.812 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000775697773 1036473970 /nfs/dbraw/zinc/47/39/70/1036473970.db2.gz GHCUUKPWUDYXKH-OAHLLOKOSA-N 1 0 315.388 3.605 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001182968712 1036489846 /nfs/dbraw/zinc/48/98/46/1036489846.db2.gz DWPXPQLQMHVDQX-SJKOYZFVSA-N 1 0 313.388 3.760 20 10 DHCDRO COc1cc(O)c(C[N@H+](C)C2CCC(C)(C)CC2)cc1OC ZINC000775707243 1036497292 /nfs/dbraw/zinc/49/72/92/1036497292.db2.gz FJXANLHNIJBHHO-UHFFFAOYSA-N 1 0 307.434 3.810 20 10 DHCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c1O ZINC000775727007 1036570923 /nfs/dbraw/zinc/57/09/23/1036570923.db2.gz DXVNSHQNEURCTN-GOSISDBHSA-N 1 0 324.468 3.797 20 10 DHCDRO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC001183395357 1036581444 /nfs/dbraw/zinc/58/14/44/1036581444.db2.gz LJHRVINUCGIBBT-UHFFFAOYSA-N 1 0 317.339 3.506 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001183671412 1036644467 /nfs/dbraw/zinc/64/44/67/1036644467.db2.gz HTWYYCVIPPXIFA-OAHLLOKOSA-N 1 0 300.368 3.835 20 10 DHCDRO Oc1ccc2ccncc2c1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000774669331 1036654538 /nfs/dbraw/zinc/65/45/38/1036654538.db2.gz AMMLDJIEUFEDRS-UHFFFAOYSA-N 1 0 316.404 3.988 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1 ZINC001197004189 1036667342 /nfs/dbraw/zinc/66/73/42/1036667342.db2.gz PJRNHIWVKCMSCA-RYUDHWBXSA-N 1 0 318.804 3.723 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC001183908878 1036704600 /nfs/dbraw/zinc/70/46/00/1036704600.db2.gz FLRRRBKTKJYNDQ-PMACEKPBSA-N 1 0 322.452 3.979 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000915229792 1036723904 /nfs/dbraw/zinc/72/39/04/1036723904.db2.gz RBNGDDMUOKFLSU-VQIMIIECSA-N 1 0 304.478 3.970 20 10 DHCDRO C[C@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001184054658 1036735237 /nfs/dbraw/zinc/73/52/37/1036735237.db2.gz INYABYLCXFXLNT-IANATYFASA-N 1 0 307.796 3.829 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1O ZINC001184250599 1036788305 /nfs/dbraw/zinc/78/83/05/1036788305.db2.gz GBVVHLLGQPDWDF-LERXQTSPSA-N 1 0 310.235 3.741 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1Cl ZINC001184265032 1036791611 /nfs/dbraw/zinc/79/16/11/1036791611.db2.gz OEQCRICOTNAGST-GFCCVEGCSA-N 1 0 322.861 3.875 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000237362620 1037004249 /nfs/dbraw/zinc/00/42/49/1037004249.db2.gz XVWIJRHHHHDYMC-IBGZPJMESA-N 1 0 309.365 3.873 20 10 DHCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163605571 1037129290 /nfs/dbraw/zinc/12/92/90/1037129290.db2.gz FIBLHWUCUAEKJU-QFBILLFUSA-N 1 0 304.478 3.879 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000915808644 1037189853 /nfs/dbraw/zinc/18/98/53/1037189853.db2.gz VFWIBMNNLLWOOC-UHFFFAOYSA-N 1 0 315.413 3.740 20 10 DHCDRO Cc1cc(O)c(CNC[C@H](C(C)C)[NH+]2CCCC2)c(Cl)c1 ZINC001199161221 1037209332 /nfs/dbraw/zinc/20/93/32/1037209332.db2.gz IMGHFDHRGGAUHW-MRXNPFEDSA-N 1 0 310.869 3.564 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2sccc2C)ccc1OC ZINC001199842932 1037347863 /nfs/dbraw/zinc/34/78/63/1037347863.db2.gz JNIZKIOHUNTXLX-UHFFFAOYSA-N 1 0 305.443 3.891 20 10 DHCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163613904 1037419046 /nfs/dbraw/zinc/41/90/46/1037419046.db2.gz MWNPTHQSUDFDLZ-QGZVFWFLSA-N 1 0 322.518 3.535 20 10 DHCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163613781 1037419250 /nfs/dbraw/zinc/41/92/50/1037419250.db2.gz MWNPTHQSUDFDLZ-KRWDZBQOSA-N 1 0 322.518 3.535 20 10 DHCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C ZINC000784668952 1037461061 /nfs/dbraw/zinc/46/10/61/1037461061.db2.gz WXZRFDARWQCJJI-QFBILLFUSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000776151914 1037588181 /nfs/dbraw/zinc/58/81/81/1037588181.db2.gz YNFQHDMDYXTHRI-UHFFFAOYSA-N 1 0 301.361 3.709 20 10 DHCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@H]2C)cc1OC ZINC000776175748 1037679832 /nfs/dbraw/zinc/67/98/32/1037679832.db2.gz ZNUDEYUMNAHNTF-KGLIPLIRSA-N 1 0 307.434 3.715 20 10 DHCDRO CCCN(Cc1nc2c(s1)CCCC2)c1ccc(C[NH3+])cc1 ZINC000775140644 1037703228 /nfs/dbraw/zinc/70/32/28/1037703228.db2.gz OFLPJAMKMFTZJL-UHFFFAOYSA-N 1 0 315.486 3.897 20 10 DHCDRO CCCN(Cc1cccc(-n2cccn2)c1)c1ccc(C[NH3+])cc1 ZINC000775140624 1037704318 /nfs/dbraw/zinc/70/43/18/1037704318.db2.gz NNBBEXCWEYCYKI-UHFFFAOYSA-N 1 0 320.440 3.748 20 10 DHCDRO CCCN(Cc1cc(Cl)ccc1O)c1ccc(C[NH3+])cc1 ZINC000775140154 1037708220 /nfs/dbraw/zinc/70/82/20/1037708220.db2.gz JIZSJFRIAWANNM-UHFFFAOYSA-N 1 0 304.821 3.921 20 10 DHCDRO CCCN(Cc1ncccc1C(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000775141121 1037710995 /nfs/dbraw/zinc/71/09/95/1037710995.db2.gz WWXVVEXNNJPVGH-UHFFFAOYSA-N 1 0 323.362 3.976 20 10 DHCDRO CCCN(Cc1ccc(OCC)cc1O)c1ccc(C[NH3+])cc1 ZINC000775141117 1037711159 /nfs/dbraw/zinc/71/11/59/1037711159.db2.gz WUYXRONJTWEVHY-UHFFFAOYSA-N 1 0 314.429 3.666 20 10 DHCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC1CC1 ZINC000763398474 1037816233 /nfs/dbraw/zinc/81/62/33/1037816233.db2.gz RFEXZTCTTPMVBE-UHFFFAOYSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1cccc2oc(CC[NH2+]Cc3cccc(Cl)c3[O-])nc21 ZINC000776219353 1037920585 /nfs/dbraw/zinc/92/05/85/1037920585.db2.gz NNESJRZVVRIEIN-UHFFFAOYSA-N 1 0 316.788 3.828 20 10 DHCDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201872539 1037924135 /nfs/dbraw/zinc/92/41/35/1037924135.db2.gz LTLALLUIIJRKPS-LAUBAEHRSA-N 1 0 324.468 3.889 20 10 DHCDRO COc1cc(C)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)c(O)c1 ZINC001205403228 1038000460 /nfs/dbraw/zinc/00/04/60/1038000460.db2.gz VVQCRNMKAYMJNS-UHFFFAOYSA-N 1 0 321.461 3.783 20 10 DHCDRO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(N(C)C)cc1 ZINC000156374435 1038059013 /nfs/dbraw/zinc/05/90/13/1038059013.db2.gz VQWOHIFARLKOQS-LJQANCHMSA-N 1 0 314.477 3.697 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000776254904 1038072056 /nfs/dbraw/zinc/07/20/56/1038072056.db2.gz NQWYMUFGERLAKK-UGSOOPFHSA-N 1 0 303.377 3.706 20 10 DHCDRO CC[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1O ZINC000156571221 1038141265 /nfs/dbraw/zinc/14/12/65/1038141265.db2.gz FSDLDKOTKAJXKD-KRWDZBQOSA-N 1 0 318.461 3.520 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCOc2ccccc2)C2CC2)cc1 ZINC000917074044 1038160588 /nfs/dbraw/zinc/16/05/88/1038160588.db2.gz NXCULXUDELTWGX-UHFFFAOYSA-N 1 0 310.441 3.796 20 10 DHCDRO COc1ccc(N2CCC[N@H+](C/C=C\c3ccccc3)CC2)cc1 ZINC000917089671 1038186636 /nfs/dbraw/zinc/18/66/36/1038186636.db2.gz CSHXDVJSIFQIHR-UITAMQMPSA-N 1 0 322.452 3.921 20 10 DHCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164449211 1038191299 /nfs/dbraw/zinc/19/12/99/1038191299.db2.gz XHAVONWXRNRGLJ-CQSZACIVSA-N 1 0 321.461 3.557 20 10 DHCDRO CC(C)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000775328798 1038224479 /nfs/dbraw/zinc/22/44/79/1038224479.db2.gz NYHYZBVTZZKWSI-UHFFFAOYSA-N 1 0 324.468 3.936 20 10 DHCDRO COc1cc(C)cc(C[N@H+](CCc2nccs2)C(C)C)c1O ZINC000164609080 1038225265 /nfs/dbraw/zinc/22/52/65/1038225265.db2.gz LHEQMXNRIDQBIH-UHFFFAOYSA-N 1 0 320.458 3.619 20 10 DHCDRO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775363144 1038273516 /nfs/dbraw/zinc/27/35/16/1038273516.db2.gz KQFSWEYPIXIXCG-AWEZNQCLSA-N 1 0 300.450 3.555 20 10 DHCDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000775365620 1038279507 /nfs/dbraw/zinc/27/95/07/1038279507.db2.gz VKVGOGPHFCVBEN-FRQCXROJSA-N 1 0 304.478 3.854 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000156962242 1038377146 /nfs/dbraw/zinc/37/71/46/1038377146.db2.gz BUJVLWLFLSFGLA-SJLPKXTDSA-N 1 0 318.486 3.763 20 10 DHCDRO CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccccc1O ZINC000775410486 1038381897 /nfs/dbraw/zinc/38/18/97/1038381897.db2.gz ADSIMZCSLVLQIP-GOSISDBHSA-N 1 0 315.413 3.911 20 10 DHCDRO CC[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccccc1O ZINC000775414914 1038390793 /nfs/dbraw/zinc/39/07/93/1038390793.db2.gz LKSDIQWOHRJVFR-BXUZGUMPSA-N 1 0 306.431 3.797 20 10 DHCDRO CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Cl)ccc1O ZINC000775484344 1038551300 /nfs/dbraw/zinc/55/13/00/1038551300.db2.gz BVEUIPGEWMPDLL-HNNXBMFYSA-N 1 0 310.869 3.961 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000775488568 1038562973 /nfs/dbraw/zinc/56/29/73/1038562973.db2.gz OMVPRLYDSPXHIM-JYJNAYRXSA-N 1 0 308.853 3.713 20 10 DHCDRO COC[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C(C)C ZINC001192014508 1038579579 /nfs/dbraw/zinc/57/95/79/1038579579.db2.gz SSVLPYVFYMPIMY-KRWDZBQOSA-N 1 0 317.429 3.906 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccccc1O ZINC000775497834 1038581346 /nfs/dbraw/zinc/58/13/46/1038581346.db2.gz WEFSNGNGFIPKTO-KRWDZBQOSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510054 1038592405 /nfs/dbraw/zinc/59/24/05/1038592405.db2.gz UTZRCFOAFWITJE-DZGCQCFKSA-N 1 0 311.834 3.881 20 10 DHCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775506771 1038598183 /nfs/dbraw/zinc/59/81/83/1038598183.db2.gz DFXJWVWTYSFIRQ-FUHWJXTLSA-N 1 0 319.832 3.994 20 10 DHCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O ZINC000775512303 1038604490 /nfs/dbraw/zinc/60/44/90/1038604490.db2.gz IXUPVSHEZIDLJC-JQHSSLGASA-N 1 0 317.816 3.745 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775524381 1038642332 /nfs/dbraw/zinc/64/23/32/1038642332.db2.gz OPXLMTOGXPHARU-HZPDHXFCSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccccc1O ZINC000775551996 1038709519 /nfs/dbraw/zinc/70/95/19/1038709519.db2.gz QJAIHXZDFDUYTC-LPHOPBHVSA-N 1 0 311.425 3.999 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000171378113 1039457387 /nfs/dbraw/zinc/45/73/87/1039457387.db2.gz VCMDGOISAYGJDC-OAHLLOKOSA-N 1 0 310.441 3.928 20 10 DHCDRO Cc1cscc1C[NH2+]Cc1cc(Br)ccc1O ZINC000226388868 1039615440 /nfs/dbraw/zinc/61/54/40/1039615440.db2.gz YMSBBKCRPAFCLD-UHFFFAOYSA-N 1 0 312.232 3.814 20 10 DHCDRO C[N@H+](CCC[NH2+]Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000158078815 1039937914 /nfs/dbraw/zinc/93/79/14/1039937914.db2.gz HUPKFPVASMJXJZ-UHFFFAOYSA-N 1 0 310.869 3.790 20 10 DHCDRO CCN(CC[NH2+][C@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000230660477 1039954701 /nfs/dbraw/zinc/95/47/01/1039954701.db2.gz SNTKSRSEKUDWQU-CQSZACIVSA-N 1 0 322.449 3.608 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1O ZINC000230934571 1040059953 /nfs/dbraw/zinc/05/99/53/1040059953.db2.gz QTSLUNVYOQKTOX-STQMWFEESA-N 1 0 315.866 3.818 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc2ccccc2o1 ZINC000063255971 1040169029 /nfs/dbraw/zinc/16/90/29/1040169029.db2.gz DKARAZAATFBYCZ-LLVKDONJSA-N 1 0 311.337 3.718 20 10 DHCDRO C[C@H](CCc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000227434808 1040259456 /nfs/dbraw/zinc/25/94/56/1040259456.db2.gz UNWWTRPILSMFEW-LLVKDONJSA-N 1 0 324.218 3.859 20 10 DHCDRO Cc1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000227435723 1040262455 /nfs/dbraw/zinc/26/24/55/1040262455.db2.gz MDRZFFHGDVLXLW-UHFFFAOYSA-N 1 0 306.203 3.753 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)c(F)c2)c1O ZINC000761198741 1040563952 /nfs/dbraw/zinc/56/39/52/1040563952.db2.gz SSOUTNDPCBJYSZ-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000323927532 1040655903 /nfs/dbraw/zinc/65/59/03/1040655903.db2.gz WXDRWVVHEWSKLJ-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2nc(C)cs2)c1O ZINC000228673034 1041049259 /nfs/dbraw/zinc/04/92/59/1041049259.db2.gz JDKMXOBPCJJSIQ-VIFPVBQESA-N 1 0 312.822 3.670 20 10 DHCDRO CC[C@H]([NH2+]CC1(SC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090113023 185282667 /nfs/dbraw/zinc/28/26/67/185282667.db2.gz SZPMMWXGXQJSTF-KRWDZBQOSA-N 1 0 322.518 3.706 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)cccc2OC)c1 ZINC000188281945 200220848 /nfs/dbraw/zinc/22/08/48/200220848.db2.gz SEUYXRGQVZIRIV-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)CC1 ZINC000093317107 193230509 /nfs/dbraw/zinc/23/05/09/193230509.db2.gz GJTXSHMVFQLNHP-MRXNPFEDSA-N 1 0 307.434 3.572 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccco1 ZINC000272548380 130040384 /nfs/dbraw/zinc/04/03/84/130040384.db2.gz QPMCXZHDXSBWDR-CQSZACIVSA-N 1 0 309.793 3.814 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000272843580 130069165 /nfs/dbraw/zinc/06/91/65/130069165.db2.gz JWUKIAOHLVSULU-ZUZCIYMTSA-N 1 0 309.768 3.569 20 10 DHCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000272901950 130072259 /nfs/dbraw/zinc/07/22/59/130072259.db2.gz VFGJIHYKSSIUAF-JCGVRSQUSA-N 1 0 303.377 3.958 20 10 DHCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000272905128 130074210 /nfs/dbraw/zinc/07/42/10/130074210.db2.gz VUUPGWRLLYIAIU-BIENJYKASA-N 1 0 315.413 3.828 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343768 130110115 /nfs/dbraw/zinc/11/01/15/130110115.db2.gz AFKMKBFYFAKZLO-GJZGRUSLSA-N 1 0 319.445 3.933 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500983 130128937 /nfs/dbraw/zinc/12/89/37/130128937.db2.gz QDFBMKMUESISND-HUUCEWRRSA-N 1 0 321.486 3.796 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc2c(cc1O)CCCC2 ZINC000273527099 130132022 /nfs/dbraw/zinc/13/20/22/130132022.db2.gz VNHPKJGONPXUMW-YVEFUNNKSA-N 1 0 311.429 3.722 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc2c(cc1O)CCCC2 ZINC000273527093 130131961 /nfs/dbraw/zinc/13/19/61/130131961.db2.gz VNHPKJGONPXUMW-SJKOYZFVSA-N 1 0 311.429 3.722 20 10 DHCDRO OC1(c2ccccc2)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000273589415 130142184 /nfs/dbraw/zinc/14/21/84/130142184.db2.gz CEONLXGPTLVCER-UHFFFAOYSA-N 1 0 323.436 3.542 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)cn1 ZINC000274915490 130273386 /nfs/dbraw/zinc/27/33/86/130273386.db2.gz OEWBEWQJDGWDCJ-ZDUSSCGKSA-N 1 0 315.848 3.968 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000280844336 130821517 /nfs/dbraw/zinc/82/15/17/130821517.db2.gz KVVXDHBAPJPXDR-UHFFFAOYSA-N 1 0 324.346 3.767 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000284365019 131074406 /nfs/dbraw/zinc/07/44/06/131074406.db2.gz NHLLAHFFADRIDT-MRXNPFEDSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284407304 131078223 /nfs/dbraw/zinc/07/82/23/131078223.db2.gz QDXAZPPHFBMPGX-KGLIPLIRSA-N 1 0 300.229 3.716 20 10 DHCDRO Cc1c2ccccc2n(C)c1CNc1cc(C[NH+](C)C)ccn1 ZINC000287855019 131303659 /nfs/dbraw/zinc/30/36/59/131303659.db2.gz XMNAGPCGCUMUNW-UHFFFAOYSA-N 1 0 308.429 3.555 20 10 DHCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000288705781 131336221 /nfs/dbraw/zinc/33/62/21/131336221.db2.gz YWFCZNLXJPVKJB-KRWDZBQOSA-N 1 0 317.816 3.752 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(OC)c(OC)c1 ZINC000289313227 131373435 /nfs/dbraw/zinc/37/34/35/131373435.db2.gz DXUNLGBDXBCCOQ-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO CCCCOc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000289521804 131392797 /nfs/dbraw/zinc/39/27/97/131392797.db2.gz VMEBUWMIPBXGJY-UHFFFAOYSA-N 1 0 315.413 3.870 20 10 DHCDRO CCOCc1cc(C[NH2+]CCC2(COC)CCC2)ccc1OC ZINC000292868231 131684490 /nfs/dbraw/zinc/68/44/90/131684490.db2.gz CZCLKGPAAQJBDA-UHFFFAOYSA-N 1 0 321.461 3.528 20 10 DHCDRO COCC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294603724 131846592 /nfs/dbraw/zinc/84/65/92/131846592.db2.gz NTKLULZKQSHFOT-MRXNPFEDSA-N 1 0 302.418 3.521 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1OCCc2sccc21 ZINC000297346477 132010959 /nfs/dbraw/zinc/01/09/59/132010959.db2.gz OXESGWDSUSCXPA-KQYVJACZSA-N 1 0 315.438 3.733 20 10 DHCDRO Cc1csc(CCCC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000297875499 132038445 /nfs/dbraw/zinc/03/84/45/132038445.db2.gz UTWRZDAOTGIHEB-AWEZNQCLSA-N 1 0 302.443 3.757 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(-n2cccn2)cc1 ZINC000297957728 132042376 /nfs/dbraw/zinc/04/23/76/132042376.db2.gz ZCARLVYRJRSGAQ-KBXCAEBGSA-N 1 0 319.408 3.916 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000295123133 335132585 /nfs/dbraw/zinc/13/25/85/335132585.db2.gz WVQMNOVMKCRUEY-CZUORRHYSA-N 1 0 313.397 3.793 20 10 DHCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296450621 335142189 /nfs/dbraw/zinc/14/21/89/335142189.db2.gz MSTYYNKQLLRSQC-SJORKVTESA-N 1 0 304.478 3.879 20 10 DHCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000296462467 335142260 /nfs/dbraw/zinc/14/22/60/335142260.db2.gz NJFUSJGGPGWKEC-HOTGVXAUSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000296335863 335143576 /nfs/dbraw/zinc/14/35/76/335143576.db2.gz GQEXIQLAOMGNMC-QAPCUYQASA-N 1 0 317.816 3.530 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297129006 335149963 /nfs/dbraw/zinc/14/99/63/335149963.db2.gz YVOIFTFPXHYNKB-KYOSRNDESA-N 1 0 303.427 3.543 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1C ZINC000273464254 334047459 /nfs/dbraw/zinc/04/74/59/334047459.db2.gz DJRUTDAHPHBECB-CXAGYDPISA-N 1 0 305.443 3.629 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278402160 334095787 /nfs/dbraw/zinc/09/57/87/334095787.db2.gz OITFTJNGZFLTBG-LLVKDONJSA-N 1 0 303.324 3.565 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000285416364 334147785 /nfs/dbraw/zinc/14/77/85/334147785.db2.gz XXVSVYRJUNGNMJ-SUMWQHHRSA-N 1 0 303.377 3.532 20 10 DHCDRO CCCOc1ccc(C[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC000285709381 334149743 /nfs/dbraw/zinc/14/97/43/334149743.db2.gz WHDMJHJIFCPOJL-UHFFFAOYSA-N 1 0 314.429 3.607 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(F)ccc1O ZINC000289802809 334168009 /nfs/dbraw/zinc/16/80/09/334168009.db2.gz OBICEHQREPUDFK-APPDUMDISA-N 1 0 321.417 3.732 20 10 DHCDRO CN1CCc2cc(C[NH2+]Cc3ccnc(Cl)c3Cl)ccc21 ZINC000368112225 336838596 /nfs/dbraw/zinc/83/85/96/336838596.db2.gz HPYPALOBBCHVCG-UHFFFAOYSA-N 1 0 322.239 3.671 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000372897794 336942380 /nfs/dbraw/zinc/94/23/80/336942380.db2.gz QFQIUQCEPCADKY-QGZVFWFLSA-N 1 0 300.377 3.505 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000375254462 337006655 /nfs/dbraw/zinc/00/66/55/337006655.db2.gz ZEWHIXZDUQXMGW-SFHVURJKSA-N 1 0 313.445 3.939 20 10 DHCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000378443603 337072861 /nfs/dbraw/zinc/07/28/61/337072861.db2.gz NDUQRTAZSCOCDA-MRXNPFEDSA-N 1 0 319.836 3.733 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1O ZINC000378624640 337076929 /nfs/dbraw/zinc/07/69/29/337076929.db2.gz NVAYZPFANFXEBF-GXTWGEPZSA-N 1 0 318.367 3.600 20 10 DHCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000378631565 337077033 /nfs/dbraw/zinc/07/70/33/337077033.db2.gz JKOCPMOGUKXISX-IBGZPJMESA-N 1 0 302.462 3.678 20 10 DHCDRO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000180392190 337174102 /nfs/dbraw/zinc/17/41/02/337174102.db2.gz MPTIFMWBJNXCJN-KSSFIOAISA-N 1 0 323.440 3.529 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1O ZINC000185122337 337203140 /nfs/dbraw/zinc/20/31/40/337203140.db2.gz FPOQNONDJVNYHX-CAYVGHNUSA-N 1 0 319.404 3.854 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1O ZINC000185674573 337249996 /nfs/dbraw/zinc/24/99/96/337249996.db2.gz FPOQNONDJVNYHX-MRFFXTKBSA-N 1 0 319.404 3.854 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112815 337253827 /nfs/dbraw/zinc/25/38/27/337253827.db2.gz AXIJDUCEJDYCCC-LSDHHAIUSA-N 1 0 322.412 3.693 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c(O)c1 ZINC000359972220 337441118 /nfs/dbraw/zinc/44/11/18/337441118.db2.gz FHNZOSCKNAUXMR-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000248541656 337564425 /nfs/dbraw/zinc/56/44/25/337564425.db2.gz CBDRYYUHWUMERX-ATLSCFEFSA-N 1 0 301.430 3.781 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)OC)c1 ZINC000527923890 337775474 /nfs/dbraw/zinc/77/54/74/337775474.db2.gz FDKQIPSPAQXUED-AUUYWEPGSA-N 1 0 315.413 3.748 20 10 DHCDRO COc1cccc(C[C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)n1 ZINC000475199217 339441228 /nfs/dbraw/zinc/44/12/28/339441228.db2.gz UEIWDPYYHHZHFP-AWEZNQCLSA-N 1 0 323.440 3.611 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000155950755 520283891 /nfs/dbraw/zinc/28/38/91/520283891.db2.gz CKNQMKKOEMDPHL-CYBMUJFWSA-N 1 0 301.434 3.641 20 10 DHCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000174536303 520631515 /nfs/dbraw/zinc/63/15/15/520631515.db2.gz REXCNXMXUUCDNA-FHWLQOOXSA-N 1 0 314.473 3.580 20 10 DHCDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000157069594 522281844 /nfs/dbraw/zinc/28/18/44/522281844.db2.gz PXLJAWRXJSJJHZ-ZDUSSCGKSA-N 1 0 303.475 3.665 20 10 DHCDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000182530121 522360383 /nfs/dbraw/zinc/36/03/83/522360383.db2.gz SZSCGEXPHKSAAV-CQSZACIVSA-N 1 0 309.793 3.733 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(N(C)C)cc1 ZINC000178409818 522647898 /nfs/dbraw/zinc/64/78/98/522647898.db2.gz DZZQXFSRYWKIKH-KRWDZBQOSA-N 1 0 314.429 3.708 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O ZINC000156981128 522660046 /nfs/dbraw/zinc/66/00/46/522660046.db2.gz IHVRDAVLBRFYSN-AWEZNQCLSA-N 1 0 322.355 3.672 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1O ZINC000364909079 522717806 /nfs/dbraw/zinc/71/78/06/522717806.db2.gz RZRWVOBEXSOSHD-ZWKOTPCHSA-N 1 0 324.424 3.931 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000266269861 522868490 /nfs/dbraw/zinc/86/84/90/522868490.db2.gz BMYIFPDMCSPUGO-QAPCUYQASA-N 1 0 321.367 3.581 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000266269857 522869351 /nfs/dbraw/zinc/86/93/51/522869351.db2.gz BMYIFPDMCSPUGO-CRAIPNDOSA-N 1 0 321.367 3.581 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000155865317 522911902 /nfs/dbraw/zinc/91/19/02/522911902.db2.gz FQUJIFFMWYXOOK-XZOAIXRZSA-N 1 0 303.377 3.694 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O ZINC000155864849 522919363 /nfs/dbraw/zinc/91/93/63/522919363.db2.gz RMIZYWDCSMQJAV-CRAIPNDOSA-N 1 0 324.424 3.518 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1O ZINC000364909076 522949599 /nfs/dbraw/zinc/94/95/99/522949599.db2.gz RZRWVOBEXSOSHD-MSOLQXFVSA-N 1 0 324.424 3.931 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000155410391 524089590 /nfs/dbraw/zinc/08/95/90/524089590.db2.gz CWCJTJKIHGCTGN-JLCFBVMHSA-N 1 0 317.454 3.592 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000182405150 524772235 /nfs/dbraw/zinc/77/22/35/524772235.db2.gz ULJRGSMNOSJDAM-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000266223319 525322159 /nfs/dbraw/zinc/32/21/59/525322159.db2.gz RUUQALBBMDADKI-CQSZACIVSA-N 1 0 324.424 3.745 20 10 DHCDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000162852727 525336677 /nfs/dbraw/zinc/33/66/77/525336677.db2.gz GYNRJWRBQLSVOP-INIZCTEOSA-N 1 0 312.461 3.691 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000189308541 525397138 /nfs/dbraw/zinc/39/71/38/525397138.db2.gz WQBTZPAOFZROGS-QKLQHJQFSA-N 1 0 316.489 3.879 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000160579030 525410081 /nfs/dbraw/zinc/41/00/81/525410081.db2.gz UFWYNXKQDDWIPI-GOEBONIOSA-N 1 0 323.440 3.529 20 10 DHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1Cl ZINC000130327386 525432626 /nfs/dbraw/zinc/43/26/26/525432626.db2.gz GHNJOAPQUVGKQO-VIFPVBQESA-N 1 0 323.751 3.764 20 10 DHCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186075472 525706962 /nfs/dbraw/zinc/70/69/62/525706962.db2.gz YEEFJOQIKIHUHI-KBPBESRZSA-N 1 0 305.462 3.719 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091968 525746246 /nfs/dbraw/zinc/74/62/46/525746246.db2.gz PSIOSHHKCDUGGU-HZPDHXFCSA-N 1 0 314.429 3.836 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000191129585 525898341 /nfs/dbraw/zinc/89/83/41/525898341.db2.gz KZPHNXNRMYIENJ-CQSZACIVSA-N 1 0 314.477 3.863 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1O ZINC000266184687 526021209 /nfs/dbraw/zinc/02/12/09/526021209.db2.gz WKYJVBITCGXMLK-MRXNPFEDSA-N 1 0 321.804 3.532 20 10 DHCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000127708907 526828051 /nfs/dbraw/zinc/82/80/51/526828051.db2.gz WCOZHWUHSBYGPU-CYBMUJFWSA-N 1 0 303.475 3.719 20 10 DHCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C)c1O)CCC2 ZINC000180231660 527110495 /nfs/dbraw/zinc/11/04/95/527110495.db2.gz VUBDZXVKPVYMHS-OAHLLOKOSA-N 1 0 302.443 3.975 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280014710 535805790 /nfs/dbraw/zinc/80/57/90/535805790.db2.gz GXKMJDOEPJKKPK-GOSISDBHSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000274874679 535911236 /nfs/dbraw/zinc/91/12/36/535911236.db2.gz GJDORPNELJBBIJ-JKSUJKDBSA-N 1 0 304.459 3.797 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1O ZINC000279609484 535911471 /nfs/dbraw/zinc/91/14/71/535911471.db2.gz XFCPLPZUPKYPBW-RDJZCZTQSA-N 1 0 323.795 3.959 20 10 DHCDRO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000777968490 1032066432 /nfs/dbraw/zinc/06/64/32/1032066432.db2.gz LBLZWGYOYNWJJU-KRWDZBQOSA-N 1 0 321.461 3.555 20 10 DHCDRO CN(Cc1cncs1)Cc1ccc(N2CCCCC2)cc1 ZINC000155242496 1013321883 /nfs/dbraw/zinc/32/18/83/1013321883.db2.gz BTGYBGIJOZAWKU-UHFFFAOYSA-N 1 0 301.459 3.765 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CC(C)C)nc2)c1 ZINC000894503112 1013394452 /nfs/dbraw/zinc/39/44/52/1013394452.db2.gz WVLPKBGAKSGTKI-CQSZACIVSA-N 1 0 314.429 3.845 20 10 DHCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2ccccc2F)c1O ZINC000894851248 1013537806 /nfs/dbraw/zinc/53/78/06/1013537806.db2.gz OIAYBRDJOPQPAT-UHFFFAOYSA-N 1 0 303.377 3.873 20 10 DHCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000090406463 1013709619 /nfs/dbraw/zinc/70/96/19/1013709619.db2.gz IBTRCFWGBCUWDY-LBPRGKRZSA-N 1 0 301.459 3.685 20 10 DHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)c2cccs2)c1O ZINC000050143597 1014088418 /nfs/dbraw/zinc/08/84/18/1014088418.db2.gz MLRHAYSFJKVDDK-JTQLQIEISA-N 1 0 307.390 3.988 20 10 DHCDRO CN(C)c1ccc(CN(Cc2cc(F)ncc2F)C2CC2)cc1 ZINC000294616363 1032085485 /nfs/dbraw/zinc/08/54/85/1032085485.db2.gz XLCCZKFZQDLBBC-UHFFFAOYSA-N 1 0 317.383 3.590 20 10 DHCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000175988375 1014638698 /nfs/dbraw/zinc/63/86/98/1014638698.db2.gz DKRXTGZOMIDUBT-UHFFFAOYSA-N 1 0 303.352 3.925 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1F ZINC000276158343 1014755773 /nfs/dbraw/zinc/75/57/73/1014755773.db2.gz GEYNACLDMXIGFX-INIZCTEOSA-N 1 0 318.367 3.644 20 10 DHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)ccn1 ZINC000834859626 1014821826 /nfs/dbraw/zinc/82/18/26/1014821826.db2.gz GIWWHPCZPGGESY-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000388930191 1014911028 /nfs/dbraw/zinc/91/10/28/1014911028.db2.gz FASJNLKUJIWVIN-AWEZNQCLSA-N 1 0 305.418 3.769 20 10 DHCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000738436356 1015087095 /nfs/dbraw/zinc/08/70/95/1015087095.db2.gz UFXNOCUDHTYKNV-LBPRGKRZSA-N 1 0 306.450 3.982 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cc3cnccc3o2)c1O ZINC000895465321 1015170428 /nfs/dbraw/zinc/17/04/28/1015170428.db2.gz AYQJWVLMEODPKI-GFCCVEGCSA-N 1 0 312.369 3.701 20 10 DHCDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(F)ccc1O ZINC000895539117 1015195602 /nfs/dbraw/zinc/19/56/02/1015195602.db2.gz PBPSRLRKHVQZQT-UHFFFAOYSA-N 1 0 301.361 3.707 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000895580313 1015215762 /nfs/dbraw/zinc/21/57/62/1015215762.db2.gz AEOJMLHLICBGQI-NSHDSACASA-N 1 0 308.834 3.800 20 10 DHCDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000895640723 1015239209 /nfs/dbraw/zinc/23/92/09/1015239209.db2.gz QYSNNWDKSFDEEC-HNNXBMFYSA-N 1 0 317.360 3.543 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895654049 1015242186 /nfs/dbraw/zinc/24/21/86/1015242186.db2.gz NLIVPEWIJJYFAW-UHFFFAOYSA-N 1 0 302.462 3.596 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000895690720 1015257939 /nfs/dbraw/zinc/25/79/39/1015257939.db2.gz KYXFUGWSSPNPQF-AEFFLSMTSA-N 1 0 301.361 3.516 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229464 1015513313 /nfs/dbraw/zinc/51/33/13/1015513313.db2.gz ZBIYRWZYFIZXHC-GFCCVEGCSA-N 1 0 323.717 3.912 20 10 DHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000237266981 1015628408 /nfs/dbraw/zinc/62/84/08/1015628408.db2.gz UFYKCHVNGPVOJV-OAHLLOKOSA-N 1 0 311.425 3.741 20 10 DHCDRO CCc1cccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000896808445 1015752663 /nfs/dbraw/zinc/75/26/63/1015752663.db2.gz FEEHNXNEPISRPQ-KGLIPLIRSA-N 1 0 317.351 3.544 20 10 DHCDRO Oc1c(C[NH2+]CCc2nc3c(s2)CCC3)ccc2ccccc21 ZINC000896842319 1015768251 /nfs/dbraw/zinc/76/82/51/1015768251.db2.gz SQZJYXANGQVIPN-UHFFFAOYSA-N 1 0 324.449 3.823 20 10 DHCDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000892036762 1016140446 /nfs/dbraw/zinc/14/04/46/1016140446.db2.gz QADKMFAKQUHHSP-IPYPFGDCSA-N 1 0 305.418 3.562 20 10 DHCDRO CCC[N@H+](Cc1csc(NCC)n1)Cc1ccccc1O ZINC001167521433 1016293350 /nfs/dbraw/zinc/29/33/50/1016293350.db2.gz BXMCDGREKADJOF-UHFFFAOYSA-N 1 0 305.447 3.693 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000896891879 1016515893 /nfs/dbraw/zinc/51/58/93/1016515893.db2.gz NIXDANYVZXQRPH-NVXWUHKLSA-N 1 0 319.351 3.539 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185143133 1016624842 /nfs/dbraw/zinc/62/48/42/1016624842.db2.gz RZTYBXWFLXZHLT-CQSZACIVSA-N 1 0 300.402 3.735 20 10 DHCDRO CC[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O ZINC000185213428 1016750734 /nfs/dbraw/zinc/75/07/34/1016750734.db2.gz KQRVUJCGQOMRNZ-OAHLLOKOSA-N 1 0 307.340 3.790 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(F)ccc1O ZINC000185323550 1016859656 /nfs/dbraw/zinc/85/96/56/1016859656.db2.gz VTRMPCXXWJBQHA-LBPRGKRZSA-N 1 0 317.360 3.543 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCS1 ZINC000896953180 1016956334 /nfs/dbraw/zinc/95/63/34/1016956334.db2.gz WBZMNMLUCQYUQW-BXKDBHETSA-N 1 0 316.264 3.528 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000185533492 1016972236 /nfs/dbraw/zinc/97/22/36/1016972236.db2.gz UCIUCDGBNRWITR-CQSZACIVSA-N 1 0 315.413 3.611 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1 ZINC000185576299 1017019897 /nfs/dbraw/zinc/01/98/97/1017019897.db2.gz WFQSPAWNOPFDQW-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000185577325 1017028955 /nfs/dbraw/zinc/02/89/55/1017028955.db2.gz YQOIMDDCOJNSLG-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185580253 1017030327 /nfs/dbraw/zinc/03/03/27/1017030327.db2.gz MIKCYWFQCVSOAJ-HUUCEWRRSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cccnc32)cc1Cl ZINC000897071173 1017032717 /nfs/dbraw/zinc/03/27/17/1017032717.db2.gz XWCRLNRKEBSMQQ-OAHLLOKOSA-N 1 0 302.805 3.916 20 10 DHCDRO COC1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000840793315 1017039811 /nfs/dbraw/zinc/03/98/11/1017039811.db2.gz WVFZLKAPUPWYCU-NVPAJSRCSA-N 1 0 303.446 3.879 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192744373 1017053281 /nfs/dbraw/zinc/05/32/81/1017053281.db2.gz FDTPYCAIRRLNNE-OAHLLOKOSA-N 1 0 309.413 3.791 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000192809089 1017066424 /nfs/dbraw/zinc/06/64/24/1017066424.db2.gz FLOIBBAPTAQRGH-RYUDHWBXSA-N 1 0 319.376 3.960 20 10 DHCDRO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccccc1 ZINC000322834605 1032240526 /nfs/dbraw/zinc/24/05/26/1032240526.db2.gz HTRYXVJNGPVRGB-VCSGRIEYSA-N 1 0 323.484 3.809 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772977286 1032242185 /nfs/dbraw/zinc/24/21/85/1032242185.db2.gz LZCJOAIUMXROKW-ZIAGYGMSSA-N 1 0 322.880 3.873 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c(O)c1 ZINC000185647141 1017079330 /nfs/dbraw/zinc/07/93/30/1017079330.db2.gz YLGBPCITNGYCRS-GFCCVEGCSA-N 1 0 307.340 3.708 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000185682604 1017095735 /nfs/dbraw/zinc/09/57/35/1017095735.db2.gz OXIGFDDAXNAHBZ-OXQOHEQNSA-N 1 0 311.473 3.534 20 10 DHCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773006314 1032520583 /nfs/dbraw/zinc/52/05/83/1032520583.db2.gz DFAXNIHUYDJSHR-GUXCAODWSA-N 1 0 312.457 3.568 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000773048196 1032540013 /nfs/dbraw/zinc/54/00/13/1032540013.db2.gz WGYSCHUZWLRRPO-BEFAXECRSA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(N(C)C)cc1 ZINC000773045975 1032540737 /nfs/dbraw/zinc/54/07/37/1032540737.db2.gz KMYIYGCKUKNLDO-DLBZAZTESA-N 1 0 318.486 3.897 20 10 DHCDRO CCCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000773061277 1032543328 /nfs/dbraw/zinc/54/33/28/1032543328.db2.gz VEJNWUDZPMAAKZ-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000773072198 1032549298 /nfs/dbraw/zinc/54/92/98/1032549298.db2.gz NZUPDEYNHRDXRI-MRXNPFEDSA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000773072195 1032549565 /nfs/dbraw/zinc/54/95/65/1032549565.db2.gz NZUPDEYNHRDXRI-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773100847 1032558829 /nfs/dbraw/zinc/55/88/29/1032558829.db2.gz GAFXDHOAHDXOGE-RTWAWAEBSA-N 1 0 324.468 3.627 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773100845 1032559724 /nfs/dbraw/zinc/55/97/24/1032559724.db2.gz GAFXDHOAHDXOGE-NHCUHLMSSA-N 1 0 324.468 3.627 20 10 DHCDRO CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773107667 1032561856 /nfs/dbraw/zinc/56/18/56/1032561856.db2.gz ZWRZIFROVVZVRN-IBGZPJMESA-N 1 0 324.472 3.703 20 10 DHCDRO Oc1cc2ccccc2cc1CNc1cc[nH+]cc1C(F)(F)F ZINC001171404946 1032595803 /nfs/dbraw/zinc/59/58/03/1032595803.db2.gz MHRVNUIXPANMNH-UHFFFAOYSA-N 1 0 318.298 3.993 20 10 DHCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)cc1O ZINC001172855594 1033424302 /nfs/dbraw/zinc/42/43/02/1033424302.db2.gz DTSOIRWWMSNIPZ-SNVBAGLBSA-N 1 0 309.768 3.611 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccnnc1 ZINC000925011258 1012767008 /nfs/dbraw/zinc/76/70/08/1012767008.db2.gz KSOXCBMHDJLMSQ-MRXNPFEDSA-N 1 0 310.445 3.564 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1C ZINC000729852088 1032656894 /nfs/dbraw/zinc/65/68/94/1032656894.db2.gz NSVUJDNWLIWGRF-FQEVSTJZSA-N 1 0 311.425 3.973 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1O ZINC000894333913 1012842499 /nfs/dbraw/zinc/84/24/99/1012842499.db2.gz SREQMFLRZVQUJT-CQSZACIVSA-N 1 0 319.788 3.586 20 10 DHCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000773264113 1032666112 /nfs/dbraw/zinc/66/61/12/1032666112.db2.gz QPXKMCLAXPCERU-IRXDYDNUSA-N 1 0 303.446 3.648 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000926904945 1032665877 /nfs/dbraw/zinc/66/58/77/1032665877.db2.gz KERNGYLXDZBAKP-YWPYICTPSA-N 1 0 317.351 3.851 20 10 DHCDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185706357 1017121207 /nfs/dbraw/zinc/12/12/07/1017121207.db2.gz BYDHIJKZZGRKRZ-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000192864123 1017166306 /nfs/dbraw/zinc/16/63/06/1017166306.db2.gz GTPVBVKLFCYCFU-INIZCTEOSA-N 1 0 315.413 3.693 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000115629336 1032684045 /nfs/dbraw/zinc/68/40/45/1032684045.db2.gz LWHBMIYROIHGMU-UHFFFAOYSA-N 1 0 320.440 3.537 20 10 DHCDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C ZINC000115630592 1032684184 /nfs/dbraw/zinc/68/41/84/1032684184.db2.gz ZJNIXTCJCKLWCX-SFHVURJKSA-N 1 0 324.468 3.991 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cc1 ZINC000179108497 1017516385 /nfs/dbraw/zinc/51/63/85/1017516385.db2.gz WIRMIQWUBGHARA-MRXNPFEDSA-N 1 0 312.457 3.876 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000186033846 1017649196 /nfs/dbraw/zinc/64/91/96/1017649196.db2.gz ZNMKVENZJFWLNH-ZDUSSCGKSA-N 1 0 316.470 3.929 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001171456482 1032718037 /nfs/dbraw/zinc/71/80/37/1032718037.db2.gz BIUSFAXNCIKLLK-SMDDNHRTSA-N 1 0 303.352 3.879 20 10 DHCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[NH2+]CC1 ZINC000841004559 1017889281 /nfs/dbraw/zinc/88/92/81/1017889281.db2.gz LLKJNRVFIBOWOR-UHFFFAOYSA-N 1 0 323.400 3.929 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926915833 1032733763 /nfs/dbraw/zinc/73/37/63/1032733763.db2.gz MAWFGJDFIHPCEB-YWPYICTPSA-N 1 0 317.351 3.851 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)c1O ZINC001171467559 1032742179 /nfs/dbraw/zinc/74/21/79/1032742179.db2.gz XRPRXEUGIBSXJR-OAHLLOKOSA-N 1 0 303.352 3.626 20 10 DHCDRO CC[C@@H]([NH2+][C@]1(CO)CCCc2ccccc21)c1ccccc1O ZINC000367328570 1018152208 /nfs/dbraw/zinc/15/22/08/1018152208.db2.gz ZVIKCAYMMRMRTC-QUCCMNQESA-N 1 0 311.425 3.657 20 10 DHCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000764593724 1018325644 /nfs/dbraw/zinc/32/56/44/1018325644.db2.gz FMJPUCFDCWBUNM-PXNSSMCTSA-N 1 0 315.505 3.812 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000764652926 1018337099 /nfs/dbraw/zinc/33/70/99/1018337099.db2.gz BKWZJZNLKORMHS-INIZCTEOSA-N 1 0 303.494 3.668 20 10 DHCDRO C[NH+](C)CCCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131286201 1018369397 /nfs/dbraw/zinc/36/93/97/1018369397.db2.gz CXEIAFUIMURBQY-UHFFFAOYSA-N 1 0 310.869 3.599 20 10 DHCDRO CN(C)c1ccc(C[N@H+](CCCc2ccncc2)C2CC2)cc1 ZINC000764954578 1018435765 /nfs/dbraw/zinc/43/57/65/1018435765.db2.gz TWURGVKRIISGBA-UHFFFAOYSA-N 1 0 309.457 3.745 20 10 DHCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccc1F ZINC000858089761 1032764569 /nfs/dbraw/zinc/76/45/69/1032764569.db2.gz ABFFNNKDEPEOBK-UHFFFAOYSA-N 1 0 308.347 3.768 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCC1 ZINC000765117155 1018476009 /nfs/dbraw/zinc/47/60/09/1018476009.db2.gz BOEISAUANNZDRD-KFWWJZLASA-N 1 0 320.452 3.718 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000765126130 1018483120 /nfs/dbraw/zinc/48/31/20/1018483120.db2.gz IMWHAWRMLCQAKT-LBTNJELSSA-N 1 0 320.452 3.718 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000128077929 1018543472 /nfs/dbraw/zinc/54/34/72/1018543472.db2.gz RKXHIETVZTVIHQ-GOSISDBHSA-N 1 0 316.445 3.729 20 10 DHCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1F ZINC000858128459 1032774776 /nfs/dbraw/zinc/77/47/76/1032774776.db2.gz OBBPGSNXHBEJDG-QGZVFWFLSA-N 1 0 320.358 3.947 20 10 DHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137837917 1018661375 /nfs/dbraw/zinc/66/13/75/1018661375.db2.gz YYIWONJYLWZTSJ-QGZVFWFLSA-N 1 0 301.361 3.877 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000706808446 1018763286 /nfs/dbraw/zinc/76/32/86/1018763286.db2.gz PJKUJXDAHVYLHH-LBPRGKRZSA-N 1 0 318.214 3.584 20 10 DHCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765475410 1018801204 /nfs/dbraw/zinc/80/12/04/1018801204.db2.gz TYQZTGARPYUQBI-DOTOQJQBSA-N 1 0 322.468 3.874 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000186463819 1018809481 /nfs/dbraw/zinc/80/94/81/1018809481.db2.gz LSVVXZDGHRYRDO-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2cc(C3CC3)nn2C)cc1C ZINC000922947721 1018931625 /nfs/dbraw/zinc/93/16/25/1018931625.db2.gz NXEXWXFUXHEMFQ-UHFFFAOYSA-N 1 0 313.445 3.685 20 10 DHCDRO C[C@]1(CC[NH2+]Cc2c(O)cccc2Br)CC1(F)F ZINC000858192501 1032798197 /nfs/dbraw/zinc/79/81/97/1032798197.db2.gz MNSAYMQYZOOJOW-LBPRGKRZSA-N 1 0 320.177 3.680 20 10 DHCDRO CN(C)c1ccc(CNCc2ncc(C(F)(F)F)s2)cc1 ZINC000278639501 1018975560 /nfs/dbraw/zinc/97/55/60/1018975560.db2.gz LGTNCOOKHGVYBQ-UHFFFAOYSA-N 1 0 315.364 3.518 20 10 DHCDRO CCN(CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000765625266 1019012552 /nfs/dbraw/zinc/01/25/52/1019012552.db2.gz UUMTZZYDLTXWAC-QGZVFWFLSA-N 1 0 315.505 3.812 20 10 DHCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)C ZINC000766160756 1019035824 /nfs/dbraw/zinc/03/58/24/1019035824.db2.gz COSNNSPHCQBEJS-QFBILLFUSA-N 1 0 304.478 3.999 20 10 DHCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134922599 1019052427 /nfs/dbraw/zinc/05/24/27/1019052427.db2.gz JZYZATZCLVUPSN-IUCAKERBSA-N 1 0 304.253 3.557 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858206256 1032804620 /nfs/dbraw/zinc/80/46/20/1032804620.db2.gz NJPLEWBBSXIPSU-SFHVURJKSA-N 1 0 302.462 3.583 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765953762 1019089405 /nfs/dbraw/zinc/08/94/05/1019089405.db2.gz ILJRHPAHRCZOCM-YLAKUSLOSA-N 1 0 316.489 3.999 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167145 1019098169 /nfs/dbraw/zinc/09/81/69/1019098169.db2.gz SFNBUTQWFHCCRZ-LNLFQRSKSA-N 1 0 315.505 3.810 20 10 DHCDRO CCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OCC ZINC000858238378 1032812829 /nfs/dbraw/zinc/81/28/29/1032812829.db2.gz YRQMLJAWLJPFQI-UHFFFAOYSA-N 1 0 315.413 3.788 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1 ZINC000858241620 1032813158 /nfs/dbraw/zinc/81/31/58/1032813158.db2.gz AQVKJZQEQMYPND-UHFFFAOYSA-N 1 0 314.429 3.562 20 10 DHCDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922015689 1019314749 /nfs/dbraw/zinc/31/47/49/1019314749.db2.gz RXURIWJDBQNWCZ-OAHLLOKOSA-N 1 0 312.461 3.600 20 10 DHCDRO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922039737 1019357259 /nfs/dbraw/zinc/35/72/59/1019357259.db2.gz SYABRFYTWJNYRJ-KRWDZBQOSA-N 1 0 313.372 3.764 20 10 DHCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112297 1019402407 /nfs/dbraw/zinc/40/24/07/1019402407.db2.gz PEFHDGZWPTTYLT-MRXNPFEDSA-N 1 0 304.478 3.604 20 10 DHCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281990 1032828492 /nfs/dbraw/zinc/82/84/92/1032828492.db2.gz CEZMZUFBAKRMJY-GGXPGOJBSA-N 1 0 302.462 3.578 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)ccc1OC ZINC000858291321 1032830894 /nfs/dbraw/zinc/83/08/94/1032830894.db2.gz VEDOTYCVTBBMIC-HGKCTWBKSA-N 1 0 303.446 3.758 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1 ZINC000186183861 1019613747 /nfs/dbraw/zinc/61/37/47/1019613747.db2.gz YAGVSTOOXFUVAJ-HUUCEWRRSA-N 1 0 322.412 3.693 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)cc1C ZINC001168705081 1019626294 /nfs/dbraw/zinc/62/62/94/1019626294.db2.gz RJEWUIBJKLJWBV-HNNXBMFYSA-N 1 0 301.817 3.914 20 10 DHCDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727161319 1019661768 /nfs/dbraw/zinc/66/17/68/1019661768.db2.gz HAOFNEJTJCQJKZ-INIZCTEOSA-N 1 0 312.457 3.879 20 10 DHCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727464439 1019717151 /nfs/dbraw/zinc/71/71/51/1019717151.db2.gz RTVIDELCPDQHPL-MRXNPFEDSA-N 1 0 322.468 3.967 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3cnc4ccccc4c3)ccc21 ZINC000727470066 1019719234 /nfs/dbraw/zinc/71/92/34/1019719234.db2.gz YZVLWLCKWFXEKP-UHFFFAOYSA-N 1 0 317.436 3.907 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000766188685 1019753562 /nfs/dbraw/zinc/75/35/62/1019753562.db2.gz TUQGVCCHUCVUAE-HCXYKTFWSA-N 1 0 316.489 3.997 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000858329741 1032851158 /nfs/dbraw/zinc/85/11/58/1032851158.db2.gz NDXSACBLPKRLHQ-IZAXUBKRSA-N 1 0 304.478 3.828 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc2ccccc2c1O ZINC000186515246 1019770360 /nfs/dbraw/zinc/77/03/60/1019770360.db2.gz JIVPECIXNQQHQS-DYVFJYSZSA-N 1 0 311.381 3.913 20 10 DHCDRO CCC[N@H+](CCOc1ccc(OC)cc1)Cc1ccccc1O ZINC000727831229 1019819430 /nfs/dbraw/zinc/81/94/30/1019819430.db2.gz PMDUUPRIMMVTQC-UHFFFAOYSA-N 1 0 315.413 3.692 20 10 DHCDRO CCOc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)c(O)c1 ZINC000730818360 1020029622 /nfs/dbraw/zinc/02/96/22/1020029622.db2.gz PSYQYCWHLYELLL-UHFFFAOYSA-N 1 0 324.424 3.995 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000731041621 1020060647 /nfs/dbraw/zinc/06/06/47/1020060647.db2.gz KHHHXTOIRSMCNN-FQEVSTJZSA-N 1 0 322.452 3.633 20 10 DHCDRO CCOc1cccc(C[NH2+]CCc2ccc3ncccc3c2)c1O ZINC000922474095 1020091796 /nfs/dbraw/zinc/09/17/96/1020091796.db2.gz WGNSOQIIJWNABY-UHFFFAOYSA-N 1 0 322.408 3.671 20 10 DHCDRO O=c1[nH]cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc12 ZINC000922494234 1020099602 /nfs/dbraw/zinc/09/96/02/1020099602.db2.gz XQQFFJWISCSCCY-UHFFFAOYSA-N 1 0 320.392 3.555 20 10 DHCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000732184565 1020207864 /nfs/dbraw/zinc/20/78/64/1020207864.db2.gz CVYLSJNXLGARSK-GDBMZVCRSA-N 1 0 305.462 3.997 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676898 1020208554 /nfs/dbraw/zinc/20/85/54/1020208554.db2.gz DBQLCWNQDWQPSR-AAEUAGOBSA-N 1 0 323.742 3.635 20 10 DHCDRO COc1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1C ZINC000922676491 1020209904 /nfs/dbraw/zinc/20/99/04/1020209904.db2.gz AAWPLTVOHFONRZ-UKRRQHHQSA-N 1 0 317.351 3.593 20 10 DHCDRO CCc1cccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)c[nH]c21 ZINC000732230597 1020214675 /nfs/dbraw/zinc/21/46/75/1020214675.db2.gz UBJGZAWVQNRABE-UHFFFAOYSA-N 1 0 320.436 3.998 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000186302882 1020221725 /nfs/dbraw/zinc/22/17/25/1020221725.db2.gz YBRDJSNQUDFFKH-CMKODMSKSA-N 1 0 310.441 3.878 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)ccc1OC ZINC000922731631 1020243481 /nfs/dbraw/zinc/24/34/81/1020243481.db2.gz FNNDMPLSRVFCQD-GXTWGEPZSA-N 1 0 317.351 3.520 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCS1 ZINC000922839493 1020302616 /nfs/dbraw/zinc/30/26/16/1020302616.db2.gz UCMKAIOQKVIMKL-UWVGGRQHSA-N 1 0 316.264 3.528 20 10 DHCDRO COC(=O)CC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C(C)C ZINC000733183222 1020346353 /nfs/dbraw/zinc/34/63/53/1020346353.db2.gz HTSIKWNQGJYYKH-UHFFFAOYSA-N 1 0 321.461 3.772 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(C)cc1 ZINC000892437701 1020346992 /nfs/dbraw/zinc/34/69/92/1020346992.db2.gz ARGKYFWKFZGGDK-INIZCTEOSA-N 1 0 315.413 3.959 20 10 DHCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000310251150 1020347168 /nfs/dbraw/zinc/34/71/68/1020347168.db2.gz WMISNRNNTGAWLQ-UTKZUKDTSA-N 1 0 323.484 3.505 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCCOc2ccc(F)cc2)cc1F ZINC000733326170 1020371871 /nfs/dbraw/zinc/37/18/71/1020371871.db2.gz MBHWGKSFCXOQCA-UHFFFAOYSA-N 1 0 320.383 3.590 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000733324760 1020372078 /nfs/dbraw/zinc/37/20/78/1020372078.db2.gz BANLDJLDXDWDOY-JTQLQIEISA-N 1 0 323.742 3.589 20 10 DHCDRO Cc1ccccc1OCCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733327906 1020375283 /nfs/dbraw/zinc/37/52/83/1020375283.db2.gz FMEJAHQDCPTXMU-UHFFFAOYSA-N 1 0 316.420 3.759 20 10 DHCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179573365 1020410064 /nfs/dbraw/zinc/41/00/64/1020410064.db2.gz BUTSHQBQXOJHAN-XLIONFOSSA-N 1 0 324.468 3.877 20 10 DHCDRO CCn1cc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)cn1 ZINC000733790397 1020445927 /nfs/dbraw/zinc/44/59/27/1020445927.db2.gz KRXKSSJKYXAIIM-UHFFFAOYSA-N 1 0 301.434 3.672 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000282567551 1020460290 /nfs/dbraw/zinc/46/02/90/1020460290.db2.gz YQEODEMKHNVKMQ-QZTJIDSGSA-N 1 0 312.461 3.604 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(CC)no1 ZINC000282574181 1020463529 /nfs/dbraw/zinc/46/35/29/1020463529.db2.gz ZXOPNIUSIJJGTM-CYBMUJFWSA-N 1 0 303.406 3.701 20 10 DHCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765855162 1020519986 /nfs/dbraw/zinc/51/99/86/1020519986.db2.gz UWONQNWBCMMYRX-BBWFWOEESA-N 1 0 303.494 3.666 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2OC)c1O ZINC000378915789 1020525229 /nfs/dbraw/zinc/52/52/29/1020525229.db2.gz WCLDSSCINXVPNU-ZDUSSCGKSA-N 1 0 301.386 3.650 20 10 DHCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765868568 1020532284 /nfs/dbraw/zinc/53/22/84/1020532284.db2.gz PIFBARJKAAVTQU-HNNXBMFYSA-N 1 0 320.452 3.893 20 10 DHCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766043560 1020564555 /nfs/dbraw/zinc/56/45/55/1020564555.db2.gz MURBXFJYSAGMAF-ACJLOTCBSA-N 1 0 310.445 3.579 20 10 DHCDRO CCc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000735308862 1020721541 /nfs/dbraw/zinc/72/15/41/1020721541.db2.gz WNZWBRDDCOCLFN-UHFFFAOYSA-N 1 0 324.468 3.970 20 10 DHCDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000735678619 1020758504 /nfs/dbraw/zinc/75/85/04/1020758504.db2.gz YETNKKIZFZXQKH-BLLLJJGKSA-N 1 0 311.853 3.977 20 10 DHCDRO CCC[N@H+](CCc1nc2ccccc2n1C)Cc1ccccc1O ZINC000736309917 1020806718 /nfs/dbraw/zinc/80/67/18/1020806718.db2.gz HWDLDLWEKDOGRS-UHFFFAOYSA-N 1 0 323.440 3.734 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2scnc2C)cc1 ZINC000738300473 1020871718 /nfs/dbraw/zinc/87/17/18/1020871718.db2.gz XVFGRWAOCDNDJW-UHFFFAOYSA-N 1 0 317.502 3.972 20 10 DHCDRO Brc1sccc1CNCc1ccc2c(c1)CCO2 ZINC000282208060 1020881776 /nfs/dbraw/zinc/88/17/76/1020881776.db2.gz IXFZDAJBKBZFBQ-UHFFFAOYSA-N 1 0 324.243 3.735 20 10 DHCDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740005411 1020923454 /nfs/dbraw/zinc/92/34/54/1020923454.db2.gz BRJZOYCQKRATBK-SJCJKPOMSA-N 1 0 311.853 3.713 20 10 DHCDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740005412 1020923672 /nfs/dbraw/zinc/92/36/72/1020923672.db2.gz BRJZOYCQKRATBK-SJKOYZFVSA-N 1 0 311.853 3.713 20 10 DHCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178113959 1020940616 /nfs/dbraw/zinc/94/06/16/1020940616.db2.gz USYMTKCEQNQORF-LPHOPBHVSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccoc1 ZINC000178205044 1021063476 /nfs/dbraw/zinc/06/34/76/1021063476.db2.gz JWZQFFIBLCBHRR-AWEZNQCLSA-N 1 0 302.443 3.684 20 10 DHCDRO Cc1cc(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1C ZINC000742166485 1021093518 /nfs/dbraw/zinc/09/35/18/1021093518.db2.gz OISDSDYGBYYOKL-GOSISDBHSA-N 1 0 303.446 3.933 20 10 DHCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000742160240 1021095952 /nfs/dbraw/zinc/09/59/52/1021095952.db2.gz VVZCEHHJBDXBEN-AWEZNQCLSA-N 1 0 304.393 3.887 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccc(F)cc1 ZINC000742380718 1021108267 /nfs/dbraw/zinc/10/82/67/1021108267.db2.gz JBSFIIALLZEUAJ-ZDUSSCGKSA-N 1 0 320.383 3.588 20 10 DHCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742382910 1021109788 /nfs/dbraw/zinc/10/97/88/1021109788.db2.gz MQDNBRFOJREDSV-QAPCUYQASA-N 1 0 320.452 3.721 20 10 DHCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCCC2 ZINC000742390996 1021111196 /nfs/dbraw/zinc/11/11/96/1021111196.db2.gz YOHMQGNUAFLVGY-HOTGVXAUSA-N 1 0 309.837 3.873 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000742372948 1021113596 /nfs/dbraw/zinc/11/35/96/1021113596.db2.gz YXMVEEVGZOVOBA-INIZCTEOSA-N 1 0 322.456 3.987 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C12CCC2 ZINC000742373401 1021114258 /nfs/dbraw/zinc/11/42/58/1021114258.db2.gz BIRRSCSRRPLGJV-RTBURBONSA-N 1 0 316.489 3.970 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000742375631 1021114431 /nfs/dbraw/zinc/11/44/31/1021114431.db2.gz SRFYMWWKYLFNRA-KXBFYZLASA-N 1 0 310.441 3.632 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cc(F)ccc1O ZINC000176985237 1021191410 /nfs/dbraw/zinc/19/14/10/1021191410.db2.gz XLNNGUGNSPCUNI-QWHCGFSZSA-N 1 0 303.377 3.909 20 10 DHCDRO c1ccc2c(c1)cccc2OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000917395438 1021249627 /nfs/dbraw/zinc/24/96/27/1021249627.db2.gz PGRJIISIRBRDKI-UHFFFAOYSA-N 1 0 319.404 3.943 20 10 DHCDRO CCOc1ccc(N2CC[NH+](CCCC(F)(F)F)CC2)cc1 ZINC001202442745 1021257634 /nfs/dbraw/zinc/25/76/34/1021257634.db2.gz OELPGAJFVHVFHD-UHFFFAOYSA-N 1 0 316.367 3.550 20 10 DHCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001202457569 1021262814 /nfs/dbraw/zinc/26/28/14/1021262814.db2.gz RJTQRWPCMWLMKE-SJORKVTESA-N 1 0 320.452 3.578 20 10 DHCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C ZINC000743408857 1021290361 /nfs/dbraw/zinc/29/03/61/1021290361.db2.gz OZLQBUBXEKDNAR-QFBILLFUSA-N 1 0 311.425 3.971 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000069782791 1021357736 /nfs/dbraw/zinc/35/77/36/1021357736.db2.gz AZODBJOPEYMNJR-UHFFFAOYSA-N 1 0 324.468 3.982 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743870572 1021397339 /nfs/dbraw/zinc/39/73/39/1021397339.db2.gz XXEKJHHCVHTDTD-HXUWFJFHSA-N 1 0 313.441 3.955 20 10 DHCDRO COc1cc(C[NH2+]Cc2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850077701 1021412806 /nfs/dbraw/zinc/41/28/06/1021412806.db2.gz PORVQZPAWOVKEQ-UHFFFAOYSA-N 1 0 318.417 3.593 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850187537 1021434048 /nfs/dbraw/zinc/43/40/48/1021434048.db2.gz LUGILQVNRVREQC-UONOGXRCSA-N 1 0 321.461 3.603 20 10 DHCDRO CCC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1 ZINC000850228278 1021447708 /nfs/dbraw/zinc/44/77/08/1021447708.db2.gz CLVHZRGSBNQNPI-UHFFFAOYSA-N 1 0 321.461 3.747 20 10 DHCDRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850318261 1021473020 /nfs/dbraw/zinc/47/30/20/1021473020.db2.gz QVEPEDMVGLUFRV-KPZWWZAWSA-N 1 0 321.461 3.601 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000850346392 1021481378 /nfs/dbraw/zinc/48/13/78/1021481378.db2.gz UAOSLWUIAPTUPE-LBPRGKRZSA-N 1 0 322.861 3.779 20 10 DHCDRO CC[C@H](COCC1CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850351647 1021482910 /nfs/dbraw/zinc/48/29/10/1021482910.db2.gz QPTVENPUQJDKNI-OOFWQKGWSA-N 1 0 302.462 3.561 20 10 DHCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369766 1021492886 /nfs/dbraw/zinc/49/28/86/1021492886.db2.gz LGBYUULQVOPFPI-SFTDATJTSA-N 1 0 322.452 3.945 20 10 DHCDRO CCOCc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)ccc1OC ZINC000850380807 1021498819 /nfs/dbraw/zinc/49/88/19/1021498819.db2.gz MTNRBQYZGFZTPU-MRXNPFEDSA-N 1 0 313.388 3.757 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CC2(F)F)c(C(F)(F)F)c1 ZINC000850379253 1021499069 /nfs/dbraw/zinc/49/90/69/1021499069.db2.gz JBKSYYJWIQNBPX-ZDUSSCGKSA-N 1 0 322.321 3.906 20 10 DHCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850405987 1021513617 /nfs/dbraw/zinc/51/36/17/1021513617.db2.gz NGASGZIXBWPHBG-FUHWJXTLSA-N 1 0 316.489 3.706 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1F ZINC000850408651 1021515860 /nfs/dbraw/zinc/51/58/60/1021515860.db2.gz CDWJAGQSEPGQOQ-HNNXBMFYSA-N 1 0 308.441 3.577 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccc(Cl)cc1 ZINC000850414397 1021519990 /nfs/dbraw/zinc/51/99/90/1021519990.db2.gz ZRGLPYRRBZRZHR-ZWKOTPCHSA-N 1 0 319.832 3.893 20 10 DHCDRO CCOC1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000850423555 1021523905 /nfs/dbraw/zinc/52/39/05/1021523905.db2.gz BNNKHHYUSACLAR-UHFFFAOYSA-N 1 0 304.478 3.970 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850444902 1021538923 /nfs/dbraw/zinc/53/89/23/1021538923.db2.gz XOIQNUIHGNICCE-CYBMUJFWSA-N 1 0 313.397 3.577 20 10 DHCDRO CC(C)(C)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236624126 1021552301 /nfs/dbraw/zinc/55/23/01/1021552301.db2.gz KWCCFQOOMRUWNL-ZDUSSCGKSA-N 1 0 312.404 3.893 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000850474526 1021555254 /nfs/dbraw/zinc/55/52/54/1021555254.db2.gz OCYSZFSRAULHKN-GJZGRUSLSA-N 1 0 312.498 3.673 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)c2c1c(F)ccc2O ZINC000850481312 1021556476 /nfs/dbraw/zinc/55/64/76/1021556476.db2.gz JGBHHLWVVSAFFT-BZPMIXESSA-N 1 0 306.425 3.542 20 10 DHCDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490269 1021560146 /nfs/dbraw/zinc/56/01/46/1021560146.db2.gz YSODKEYFYGQFQX-KBXCAEBGSA-N 1 0 320.452 3.628 20 10 DHCDRO Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850508187 1021566381 /nfs/dbraw/zinc/56/63/81/1021566381.db2.gz SBNQVNWHAYERDE-DOMZBBRYSA-N 1 0 300.377 3.615 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513330 1021570168 /nfs/dbraw/zinc/57/01/68/1021570168.db2.gz GEQXYJOUBDLPDS-KSSFIOAISA-N 1 0 315.413 3.748 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1O ZINC000850521031 1021574792 /nfs/dbraw/zinc/57/47/92/1021574792.db2.gz MTODXQAIPPSRLA-LBPRGKRZSA-N 1 0 301.361 3.923 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)ccc1O ZINC000850531357 1021585708 /nfs/dbraw/zinc/58/57/08/1021585708.db2.gz JIFXOBQCHOYPLB-QRTARXTBSA-N 1 0 315.388 3.755 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cc(O)cc(Cl)c2)cc1F ZINC000892738694 1021587971 /nfs/dbraw/zinc/58/79/71/1021587971.db2.gz XFGWDQACSZLGNB-UHFFFAOYSA-N 1 0 308.784 3.541 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1O ZINC000850537870 1021593554 /nfs/dbraw/zinc/59/35/54/1021593554.db2.gz ASYDIFTXLGSBTN-DZGCQCFKSA-N 1 0 306.425 3.589 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538567 1021593706 /nfs/dbraw/zinc/59/37/06/1021593706.db2.gz IBQHCBHLEAAMGO-CVEARBPZSA-N 1 0 302.462 3.758 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCCCC2)cc1 ZINC000850546769 1021597673 /nfs/dbraw/zinc/59/76/73/1021597673.db2.gz ORMTVQKIOHDIDM-KFKAGJAMSA-N 1 0 314.473 3.631 20 10 DHCDRO COc1cccc(CCC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182324064 1021606284 /nfs/dbraw/zinc/60/62/84/1021606284.db2.gz NFLZKQIDYGBALG-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567757 1021610875 /nfs/dbraw/zinc/61/08/75/1021610875.db2.gz IMBPTZHNRXDGDS-WOJBJXKFSA-N 1 0 316.489 3.706 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC1(C)C ZINC000850568131 1021611122 /nfs/dbraw/zinc/61/11/22/1021611122.db2.gz PYJXENCPWBOFJH-RTBURBONSA-N 1 0 316.489 3.562 20 10 DHCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567548 1021611249 /nfs/dbraw/zinc/61/12/49/1021611249.db2.gz FLUBLCATQRAWMU-PXNSSMCTSA-N 1 0 316.489 3.706 20 10 DHCDRO C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000850572642 1021614570 /nfs/dbraw/zinc/61/45/70/1021614570.db2.gz FRPVBZMXMMJNBL-CYBMUJFWSA-N 1 0 305.418 3.555 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850584844 1021624435 /nfs/dbraw/zinc/62/44/35/1021624435.db2.gz UAAPSJMPHXLLPQ-RZQQEMMASA-N 1 0 312.457 3.915 20 10 DHCDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000850583964 1021624793 /nfs/dbraw/zinc/62/47/93/1021624793.db2.gz OZQIXMZDMBWAPY-XPGWFJOJSA-N 1 0 312.457 3.915 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000182391853 1021630723 /nfs/dbraw/zinc/63/07/23/1021630723.db2.gz BUMUXBLQEYFKEI-NSHDSACASA-N 1 0 323.339 3.853 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000154821265 1021656701 /nfs/dbraw/zinc/65/67/01/1021656701.db2.gz UKVXKGRSDOKNIC-HKUYNNGSSA-N 1 0 312.457 3.606 20 10 DHCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000776499618 1021681964 /nfs/dbraw/zinc/68/19/64/1021681964.db2.gz WXCXDSPCAPCYBE-BFUOFWGJSA-N 1 0 315.388 3.626 20 10 DHCDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000109773303 1021747959 /nfs/dbraw/zinc/74/79/59/1021747959.db2.gz WXCDMXJRVAABMV-LBPRGKRZSA-N 1 0 318.804 3.505 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377757672 1021851546 /nfs/dbraw/zinc/85/15/46/1021851546.db2.gz AIZJDMGEGGNQFS-PZJWPPBQSA-N 1 0 323.484 3.535 20 10 DHCDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065430239 1021885333 /nfs/dbraw/zinc/88/53/33/1021885333.db2.gz IILXSONVADHZDC-KRWDZBQOSA-N 1 0 324.468 3.936 20 10 DHCDRO COc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)sn1 ZINC000851732759 1021976386 /nfs/dbraw/zinc/97/63/86/1021976386.db2.gz XNWIPGPBTKUAAE-UHFFFAOYSA-N 1 0 319.474 3.628 20 10 DHCDRO CC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C[C@H]1CCCO1 ZINC000919945971 1021981169 /nfs/dbraw/zinc/98/11/69/1021981169.db2.gz VCCFBBPPVOQUAT-MRXNPFEDSA-N 1 0 305.462 3.999 20 10 DHCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766383998 1022085008 /nfs/dbraw/zinc/08/50/08/1022085008.db2.gz VDZKUCNJXYFNOQ-MSOLQXFVSA-N 1 0 315.505 3.669 20 10 DHCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000766456666 1022117698 /nfs/dbraw/zinc/11/76/98/1022117698.db2.gz LPZNNEOUDNFVBU-ZDUSSCGKSA-N 1 0 320.383 3.760 20 10 DHCDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000183556728 1022190243 /nfs/dbraw/zinc/19/02/43/1022190243.db2.gz VNHAMSFLYVFHOV-BLLLJJGKSA-N 1 0 313.422 3.991 20 10 DHCDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183632990 1022217949 /nfs/dbraw/zinc/21/79/49/1022217949.db2.gz VEEMCNKRFAMQFF-GJZGRUSLSA-N 1 0 315.413 3.767 20 10 DHCDRO COc1cc(C[NH+]2CCC(c3ccco3)CC2)c(O)cc1C ZINC000853527477 1022286545 /nfs/dbraw/zinc/28/65/45/1022286545.db2.gz VKGKJDHQZCOPKA-UHFFFAOYSA-N 1 0 301.386 3.682 20 10 DHCDRO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542854 1022288880 /nfs/dbraw/zinc/28/88/80/1022288880.db2.gz VJXSBMXNXZEPHZ-CYBMUJFWSA-N 1 0 319.445 3.539 20 10 DHCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccncc2)c(O)cc1C ZINC000853632402 1022302797 /nfs/dbraw/zinc/30/27/97/1022302797.db2.gz FSJSZZHPMBNKFD-LJQANCHMSA-N 1 0 324.424 3.831 20 10 DHCDRO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1cc(F)ccc1O ZINC000756448174 1022383281 /nfs/dbraw/zinc/38/32/81/1022383281.db2.gz ADFLSEKJJKPCRB-ZIAGYGMSSA-N 1 0 308.441 3.692 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000854225285 1022433281 /nfs/dbraw/zinc/43/32/81/1022433281.db2.gz BRBMAVUBYNPBNI-UHNFBRDESA-N 1 0 312.388 3.939 20 10 DHCDRO CC[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O ZINC000185213410 1022469215 /nfs/dbraw/zinc/46/92/15/1022469215.db2.gz KQRVUJCGQOMRNZ-HNNXBMFYSA-N 1 0 307.340 3.790 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1O ZINC000272842033 1022516319 /nfs/dbraw/zinc/51/63/19/1022516319.db2.gz JVEKPVSEPHHLOL-FUHIMQAGSA-N 1 0 324.468 3.953 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3c2cccc3OC)c1 ZINC000185743422 1022518757 /nfs/dbraw/zinc/51/87/57/1022518757.db2.gz MFJUEZNQSVBJMC-SJCJKPOMSA-N 1 0 313.397 3.748 20 10 DHCDRO Cc1cc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1Br ZINC001237678308 1022533316 /nfs/dbraw/zinc/53/33/16/1022533316.db2.gz XXXWNIPHGOISAH-VXGBXAGGSA-N 1 0 310.235 3.695 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000237898709 1022593448 /nfs/dbraw/zinc/59/34/48/1022593448.db2.gz PDVRYXRCJMIIIU-NRFANRHFSA-N 1 0 324.468 3.809 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179965176 1022600712 /nfs/dbraw/zinc/60/07/12/1022600712.db2.gz ROOBRLIUIREUQT-UHFFFAOYSA-N 1 0 303.324 3.565 20 10 DHCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000763645455 1022656392 /nfs/dbraw/zinc/65/63/92/1022656392.db2.gz GQFIDQSCGQVUSQ-LLVKDONJSA-N 1 0 310.235 3.919 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000877828854 1033477226 /nfs/dbraw/zinc/47/72/26/1033477226.db2.gz QXVYOUYYCFCDEK-LLVKDONJSA-N 1 0 310.319 3.965 20 10 DHCDRO C[N@H+](CCOC(C)(C)C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000767771992 1022806248 /nfs/dbraw/zinc/80/62/48/1022806248.db2.gz MZFAXEWMRZXIIB-UHFFFAOYSA-N 1 0 309.450 3.642 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1C ZINC000767928675 1022844518 /nfs/dbraw/zinc/84/45/18/1022844518.db2.gz HQIKQWWAMVARLV-KRWDZBQOSA-N 1 0 303.446 3.975 20 10 DHCDRO COc1cc(C[NH2+]CC[C@@H]2CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000856802332 1022871081 /nfs/dbraw/zinc/87/10/81/1022871081.db2.gz GKBBIHOFHIJBKP-GFCCVEGCSA-N 1 0 313.388 3.833 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000856802178 1022872556 /nfs/dbraw/zinc/87/25/56/1022872556.db2.gz CHQWUWMOOVXNQO-LLVKDONJSA-N 1 0 322.321 3.906 20 10 DHCDRO CCCC[N@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000768143842 1022892423 /nfs/dbraw/zinc/89/24/23/1022892423.db2.gz PQAXTVXPITXTDY-UHFFFAOYSA-N 1 0 316.239 3.785 20 10 DHCDRO OCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000768137311 1022903580 /nfs/dbraw/zinc/90/35/80/1022903580.db2.gz JKGLDLYIHJDFFP-UHFFFAOYSA-N 1 0 311.425 3.796 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000768140054 1022903724 /nfs/dbraw/zinc/90/37/24/1022903724.db2.gz ABUNVSUZUQPEIX-OAQYLSRUSA-N 1 0 324.468 3.670 20 10 DHCDRO CCC[N@@H+](Cc1ccccc1O)CC1CCC2(CC1)OCCO2 ZINC000190257726 1022910293 /nfs/dbraw/zinc/91/02/93/1022910293.db2.gz KYGLNQPRFQXACY-UHFFFAOYSA-N 1 0 319.445 3.538 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000768206733 1022915301 /nfs/dbraw/zinc/91/53/01/1022915301.db2.gz DPUOONFPNRKCMG-GFCCVEGCSA-N 1 0 303.427 3.972 20 10 DHCDRO CCC[N@H+](Cc1cncc(OCC)c1)Cc1ccccc1O ZINC000857014636 1022920816 /nfs/dbraw/zinc/92/08/16/1022920816.db2.gz OUCUVJATROXFDY-UHFFFAOYSA-N 1 0 300.402 3.598 20 10 DHCDRO Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876558626 1033091961 /nfs/dbraw/zinc/09/19/61/1033091961.db2.gz QZRSHWSEOHHROV-UHFFFAOYSA-N 1 0 309.409 3.796 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCc3sccc3[C@@H]2C)c1O ZINC000768211028 1022925099 /nfs/dbraw/zinc/92/50/99/1022925099.db2.gz WTMUYIABGUQVEH-LBPRGKRZSA-N 1 0 303.427 3.972 20 10 DHCDRO C[N@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1O ZINC000768212475 1022926117 /nfs/dbraw/zinc/92/61/17/1022926117.db2.gz KAAYFIKCHBQKHH-UHFFFAOYSA-N 1 0 309.768 3.696 20 10 DHCDRO COc1cccc(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1O ZINC000768215117 1022928310 /nfs/dbraw/zinc/92/83/10/1022928310.db2.gz ZYVDHJFFHQRNEK-UHFFFAOYSA-N 1 0 309.409 3.999 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857061988 1022940975 /nfs/dbraw/zinc/94/09/75/1022940975.db2.gz FQAAWKNTWSTTGL-CYBMUJFWSA-N 1 0 301.261 3.735 20 10 DHCDRO COc1cccc(C[N@H+](Cc2ccccc2F)C(C)C)c1O ZINC000768334229 1022947476 /nfs/dbraw/zinc/94/74/76/1022947476.db2.gz NXWMOERDXAXHHJ-UHFFFAOYSA-N 1 0 303.377 3.951 20 10 DHCDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462953 1022972845 /nfs/dbraw/zinc/97/28/45/1022972845.db2.gz PGKWZPVSURMDFA-DZGCQCFKSA-N 1 0 307.434 3.810 20 10 DHCDRO COc1cccc(Cl)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296333791 1023009981 /nfs/dbraw/zinc/00/99/81/1023009981.db2.gz GNBUSPWSCRUPGZ-AWEZNQCLSA-N 1 0 303.789 3.831 20 10 DHCDRO C[C@H]([NH2+]CC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000123432598 1023038939 /nfs/dbraw/zinc/03/89/39/1023038939.db2.gz JPBMBFYJYMULPZ-INIZCTEOSA-N 1 0 302.462 3.754 20 10 DHCDRO CC(C)CCOC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768903046 1023051959 /nfs/dbraw/zinc/05/19/59/1023051959.db2.gz JTUWOSZCHMGLQN-UHFFFAOYSA-N 1 0 322.468 3.919 20 10 DHCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000768925375 1023057964 /nfs/dbraw/zinc/05/79/64/1023057964.db2.gz HJIQMARLLITAET-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO Cc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000123777739 1023068132 /nfs/dbraw/zinc/06/81/32/1023068132.db2.gz PTRUGEBVYXQUFX-OAHLLOKOSA-N 1 0 317.473 3.999 20 10 DHCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000192983886 1023071856 /nfs/dbraw/zinc/07/18/56/1023071856.db2.gz YBLHMHBYSOCHRO-UHFFFAOYSA-N 1 0 313.426 3.759 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](CC)CCc2ccccn2)cc1 ZINC000769038195 1023074079 /nfs/dbraw/zinc/07/40/79/1023074079.db2.gz TVAPXJVEEQFPOA-UHFFFAOYSA-N 1 0 311.473 3.992 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC(C)(C)O1 ZINC000769100718 1023080491 /nfs/dbraw/zinc/08/04/91/1023080491.db2.gz OWKMUBPMBFWDNT-MRXNPFEDSA-N 1 0 302.462 3.676 20 10 DHCDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759835372 1023096323 /nfs/dbraw/zinc/09/63/23/1023096323.db2.gz CVHIBWFSZZJCTL-HOTGVXAUSA-N 1 0 311.425 3.964 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000769244764 1023107830 /nfs/dbraw/zinc/10/78/30/1023107830.db2.gz ORGZKVYQURJIIV-UYAOXDASSA-N 1 0 311.425 3.789 20 10 DHCDRO COc1ccccc1[C@H]1CCC[N@H+]1Cc1c(O)cccc1OC ZINC000769319693 1023121090 /nfs/dbraw/zinc/12/10/90/1023121090.db2.gz WZCAVIYXAQBULU-MRXNPFEDSA-N 1 0 313.397 3.747 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000769327462 1023122904 /nfs/dbraw/zinc/12/29/04/1023122904.db2.gz BOWHMFBTLDVXQH-OAQYLSRUSA-N 1 0 324.468 3.934 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC000769381033 1023136313 /nfs/dbraw/zinc/13/63/13/1023136313.db2.gz ZWAUJFYMQXUDAQ-AWEZNQCLSA-N 1 0 315.388 3.920 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000769399221 1023141597 /nfs/dbraw/zinc/14/15/97/1023141597.db2.gz XZHHIJXERFDEDT-OAHLLOKOSA-N 1 0 315.388 3.920 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H](SCC)C2)c1 ZINC000769403231 1023143757 /nfs/dbraw/zinc/14/37/57/1023143757.db2.gz GWYIGXSJEGIAQM-MRXNPFEDSA-N 1 0 309.475 3.899 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC000859232233 1033108263 /nfs/dbraw/zinc/10/82/63/1033108263.db2.gz IFXBAORZYHSUIK-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1O ZINC000769428449 1023146345 /nfs/dbraw/zinc/14/63/45/1023146345.db2.gz RTVUPEKSVJVEJN-GOSISDBHSA-N 1 0 311.425 3.780 20 10 DHCDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769426685 1023147188 /nfs/dbraw/zinc/14/71/88/1023147188.db2.gz VPYAXSHZGCCXFF-GOSISDBHSA-N 1 0 320.452 3.673 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)c1 ZINC000769425402 1023147483 /nfs/dbraw/zinc/14/74/83/1023147483.db2.gz HFWBDUXNRIGWRX-GOSISDBHSA-N 1 0 312.413 3.831 20 10 DHCDRO CC1=CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769447602 1023155496 /nfs/dbraw/zinc/15/54/96/1023155496.db2.gz SVKIEQKBRZCKTF-UHFFFAOYSA-N 1 0 315.417 3.737 20 10 DHCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC)(CO)CC2)cc1F ZINC000769468677 1023161093 /nfs/dbraw/zinc/16/10/93/1023161093.db2.gz MJTYZPULZKPTKP-UHFFFAOYSA-N 1 0 322.468 3.656 20 10 DHCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769469730 1023161997 /nfs/dbraw/zinc/16/19/97/1023161997.db2.gz DMSSHEGBQUAJHI-IPMKNSEASA-N 1 0 316.489 3.778 20 10 DHCDRO CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000769504224 1023169112 /nfs/dbraw/zinc/16/91/12/1023169112.db2.gz QVBTTXYIRJNGMP-UHFFFAOYSA-N 1 0 313.825 3.598 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194431806 1023171062 /nfs/dbraw/zinc/17/10/62/1023171062.db2.gz BYGUFSQRCOGICJ-LJQANCHMSA-N 1 0 300.446 3.705 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(C)C ZINC000876644048 1033112759 /nfs/dbraw/zinc/11/27/59/1033112759.db2.gz UXTSMHASGCRFGQ-INIZCTEOSA-N 1 0 304.478 3.514 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1C ZINC000756627376 1023237346 /nfs/dbraw/zinc/23/73/46/1023237346.db2.gz HTZYMKNKYHGJTP-CQSZACIVSA-N 1 0 307.434 3.782 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000770293496 1023293006 /nfs/dbraw/zinc/29/30/06/1023293006.db2.gz PFFJIZAJANLCMR-IEBWSBKVSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000770511036 1023316260 /nfs/dbraw/zinc/31/62/60/1023316260.db2.gz WBAXNYAFLRAFNU-QGZVFWFLSA-N 1 0 311.425 3.856 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CSc2ccc(C)cc2)c1 ZINC000770666780 1023335273 /nfs/dbraw/zinc/33/52/73/1023335273.db2.gz WKJZAKFTEWQCIO-AWEZNQCLSA-N 1 0 317.454 3.980 20 10 DHCDRO CCC1(CC)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876725933 1033127572 /nfs/dbraw/zinc/12/75/72/1033127572.db2.gz QPXZZUHJUIWDOF-UHFFFAOYSA-N 1 0 316.489 3.660 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000771933454 1023489962 /nfs/dbraw/zinc/48/99/62/1023489962.db2.gz JHWGCBRTGZJBOS-UHFFFAOYSA-N 1 0 308.347 3.802 20 10 DHCDRO C[C@@H]1CCCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000662793955 1023568229 /nfs/dbraw/zinc/56/82/29/1023568229.db2.gz LBDUDAZWWGHXNY-OAHLLOKOSA-N 1 0 320.436 3.876 20 10 DHCDRO CC(C)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876770019 1033141913 /nfs/dbraw/zinc/14/19/13/1033141913.db2.gz GLKGFSQAIIUZGF-UHFFFAOYSA-N 1 0 316.489 3.516 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1F ZINC000785609947 1023595871 /nfs/dbraw/zinc/59/58/71/1023595871.db2.gz BGGQPDQJPJGBBV-UHFFFAOYSA-N 1 0 322.468 3.967 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000786950025 1023739782 /nfs/dbraw/zinc/73/97/82/1023739782.db2.gz NIROAQRZZHWBRX-HUUCEWRRSA-N 1 0 318.383 3.761 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(F)ccc1O ZINC000756779546 1023795791 /nfs/dbraw/zinc/79/57/91/1023795791.db2.gz SDHBDIPYYXJXDY-VFGSGVCASA-N 1 0 313.463 3.562 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2OC(F)F)cc1C ZINC000788073183 1023848992 /nfs/dbraw/zinc/84/89/92/1023848992.db2.gz YDKUOZRVCXMAHW-UHFFFAOYSA-N 1 0 321.367 3.943 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000788532787 1023907119 /nfs/dbraw/zinc/90/71/19/1023907119.db2.gz UQDUJQIAJURYHD-IBGZPJMESA-N 1 0 323.484 3.759 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1C ZINC000788611173 1023907642 /nfs/dbraw/zinc/90/76/42/1023907642.db2.gz NGDWNIRTZCWJQM-OAHLLOKOSA-N 1 0 303.446 3.602 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c(O)c1 ZINC000788688718 1023920093 /nfs/dbraw/zinc/92/00/93/1023920093.db2.gz GPNRJNXDXHHBHX-HOTGVXAUSA-N 1 0 319.445 3.735 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000788671698 1023922289 /nfs/dbraw/zinc/92/22/89/1023922289.db2.gz NGBOWPVDJVKFDQ-YESZJQIVSA-N 1 0 305.462 3.991 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1 ZINC000788774273 1023938010 /nfs/dbraw/zinc/93/80/10/1023938010.db2.gz FQJOJVPBWHJYLW-NVXWUHKLSA-N 1 0 302.462 3.677 20 10 DHCDRO CCOC1CC(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000788982308 1023958937 /nfs/dbraw/zinc/95/89/37/1023958937.db2.gz XDOLOAXLQFBIGF-CLTVBZQCSA-N 1 0 307.409 3.874 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000788988492 1023961309 /nfs/dbraw/zinc/96/13/09/1023961309.db2.gz RGRXYKNOFYREDW-YSIASYRMSA-N 1 0 316.489 3.746 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000876885198 1033176679 /nfs/dbraw/zinc/17/66/79/1033176679.db2.gz MWLUEKURQMRPCT-INIZCTEOSA-N 1 0 316.470 3.689 20 10 DHCDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(C)cc1O ZINC000876894830 1033179521 /nfs/dbraw/zinc/17/95/21/1033179521.db2.gz XQBAPAVTZBQEGJ-UHFFFAOYSA-N 1 0 309.413 3.539 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+]CC2(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000236778273 1024036077 /nfs/dbraw/zinc/03/60/77/1024036077.db2.gz MKRONUQQBYHLBH-UHFFFAOYSA-N 1 0 319.489 3.849 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715681574 1024036735 /nfs/dbraw/zinc/03/67/35/1024036735.db2.gz VHKIOXVIHVIUOJ-LBPRGKRZSA-N 1 0 316.264 3.530 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000876928368 1033183564 /nfs/dbraw/zinc/18/35/64/1033183564.db2.gz BFSANBWOYHAJFB-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1OC(C)C ZINC000876926071 1033184439 /nfs/dbraw/zinc/18/44/39/1033184439.db2.gz KIOBUQPNDUCNGC-UHFFFAOYSA-N 1 0 315.413 3.786 20 10 DHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000789511426 1024106440 /nfs/dbraw/zinc/10/64/40/1024106440.db2.gz ZYLJHFPHQDIIAI-WBVHZDCISA-N 1 0 319.445 3.539 20 10 DHCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000789586343 1024119807 /nfs/dbraw/zinc/11/98/07/1024119807.db2.gz LQASWJYMSUOMMS-KRWDZBQOSA-N 1 0 319.832 3.735 20 10 DHCDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876935572 1033187361 /nfs/dbraw/zinc/18/73/61/1033187361.db2.gz BUAYAQNFJDXSEU-UHFFFAOYSA-N 1 0 312.413 3.729 20 10 DHCDRO CCc1cnc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000130239857 1024146713 /nfs/dbraw/zinc/14/67/13/1024146713.db2.gz JREQIQSWJGXOLT-ZDUSSCGKSA-N 1 0 303.475 3.665 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000130324250 1024153829 /nfs/dbraw/zinc/15/38/29/1024153829.db2.gz BCGKXIYWJPJASO-LIRRHRJNSA-N 1 0 316.420 3.666 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000876941930 1033189480 /nfs/dbraw/zinc/18/94/80/1033189480.db2.gz NFXMJBGABMOHOL-UHFFFAOYSA-N 1 0 312.413 3.707 20 10 DHCDRO C[N@H+](Cc1cc(Br)cs1)Cc1ccccc1O ZINC000116879162 1033190428 /nfs/dbraw/zinc/19/04/28/1033190428.db2.gz SXWRCJJKEJKXGC-UHFFFAOYSA-N 1 0 312.232 3.848 20 10 DHCDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268835882 1024173821 /nfs/dbraw/zinc/17/38/21/1024173821.db2.gz UKXVXWUXEICFKM-MRXNPFEDSA-N 1 0 312.461 3.533 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000268844110 1024177387 /nfs/dbraw/zinc/17/73/87/1024177387.db2.gz VAAMNXXJLAZMBW-RDTXWAMCSA-N 1 0 312.461 3.604 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(N(C)C)cc1 ZINC000268902744 1024190636 /nfs/dbraw/zinc/19/06/36/1024190636.db2.gz MNBBERHLYRQIQM-LJQANCHMSA-N 1 0 322.456 3.950 20 10 DHCDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000130657482 1024196201 /nfs/dbraw/zinc/19/62/01/1024196201.db2.gz VDBSDUXLOLOVBK-VQIMIIECSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697826758 1033195246 /nfs/dbraw/zinc/19/52/46/1033195246.db2.gz XYYHVUYVBCGOQZ-KBPBESRZSA-N 1 0 322.449 3.512 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000883272420 1024341962 /nfs/dbraw/zinc/34/19/62/1024341962.db2.gz LUFGQKUDAQQEMT-MPKXVKKWSA-N 1 0 317.351 3.877 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(O)c1C ZINC000790751150 1024370645 /nfs/dbraw/zinc/37/06/45/1024370645.db2.gz SKOYLKJXYZTGNP-INIZCTEOSA-N 1 0 304.478 3.782 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(O)ccc2Cl)c1O ZINC000883327167 1024377976 /nfs/dbraw/zinc/37/79/76/1024377976.db2.gz SGISBSKPMTUMEW-SNVBAGLBSA-N 1 0 307.777 3.611 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C(C)(C)O1 ZINC000790988847 1024411018 /nfs/dbraw/zinc/41/10/18/1024411018.db2.gz CVENEKUGWMMXKV-GFCCVEGCSA-N 1 0 301.789 3.620 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2O ZINC000883381235 1024414264 /nfs/dbraw/zinc/41/42/64/1024414264.db2.gz JHYXXEFIORAZBB-FZMZJTMJSA-N 1 0 305.393 3.628 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883382222 1024416188 /nfs/dbraw/zinc/41/61/88/1024416188.db2.gz BRHQARAKWBTGQW-RDJZCZTQSA-N 1 0 301.361 3.516 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388072 1024422481 /nfs/dbraw/zinc/42/24/81/1024422481.db2.gz LRJRXAUCWFUSHE-MSOLQXFVSA-N 1 0 319.408 3.607 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000132286107 1024467385 /nfs/dbraw/zinc/46/73/85/1024467385.db2.gz FGZLSBYDUJSHAM-LBPRGKRZSA-N 1 0 308.472 3.985 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000271281360 1024481392 /nfs/dbraw/zinc/48/13/92/1024481392.db2.gz CMPCNAPUCYLMFG-AWEZNQCLSA-N 1 0 301.409 3.918 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1cccc(F)c1 ZINC000271464046 1024514306 /nfs/dbraw/zinc/51/43/06/1024514306.db2.gz IBICNWFBGBOFRJ-KSMMKXTCSA-N 1 0 316.420 3.664 20 10 DHCDRO CC(C)CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000317427847 1024540374 /nfs/dbraw/zinc/54/03/74/1024540374.db2.gz RLEJXQZICGHSJV-UHFFFAOYSA-N 1 0 305.418 3.912 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2nc3ccccc3o2)n1 ZINC000877061359 1033222083 /nfs/dbraw/zinc/22/20/83/1033222083.db2.gz FTDDBDFSEAYSAE-UHFFFAOYSA-N 1 0 305.428 3.556 20 10 DHCDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133400049 1024633527 /nfs/dbraw/zinc/63/35/27/1024633527.db2.gz BHBQZBYYCICOPA-ZDUSSCGKSA-N 1 0 305.249 3.504 20 10 DHCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166732366 1024641067 /nfs/dbraw/zinc/64/10/67/1024641067.db2.gz SAZHOFQAHBTWKF-IRXDYDNUSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166732672 1024641801 /nfs/dbraw/zinc/64/18/01/1024641801.db2.gz SAZHOFQAHBTWKF-IAGOWNOFSA-N 1 0 304.478 3.736 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166751261 1024647012 /nfs/dbraw/zinc/64/70/12/1024647012.db2.gz MOYXQXLVNFYPHI-HZPDHXFCSA-N 1 0 322.468 3.875 20 10 DHCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877068473 1033227106 /nfs/dbraw/zinc/22/71/06/1033227106.db2.gz XAAPOJDQSPAEIR-CVEARBPZSA-N 1 0 304.478 3.562 20 10 DHCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000279146123 1024760156 /nfs/dbraw/zinc/76/01/56/1024760156.db2.gz SINYQTCWOOCXGF-GJZGRUSLSA-N 1 0 308.441 3.628 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccoc2)c(C(F)(F)F)c1 ZINC000792794418 1024791953 /nfs/dbraw/zinc/79/19/53/1024791953.db2.gz ZZSZDDLYJCAZPM-UHFFFAOYSA-N 1 0 312.335 3.996 20 10 DHCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(C)c1O ZINC001170420788 1024794359 /nfs/dbraw/zinc/79/43/59/1024794359.db2.gz MAPPMZOIAREUMI-INIZCTEOSA-N 1 0 313.397 3.540 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000792782146 1024796392 /nfs/dbraw/zinc/79/63/92/1024796392.db2.gz ZMIDCVARPUEFRU-ZDUSSCGKSA-N 1 0 318.408 3.709 20 10 DHCDRO CCCOc1ncccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000113328648 1024797760 /nfs/dbraw/zinc/79/77/60/1024797760.db2.gz GDKCUNSWJQHXBM-UHFFFAOYSA-N 1 0 306.793 3.519 20 10 DHCDRO CCC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1O ZINC000163378310 1024799786 /nfs/dbraw/zinc/79/97/86/1024799786.db2.gz CNDJBDLHYJVSQC-UHFFFAOYSA-N 1 0 319.426 3.653 20 10 DHCDRO COCC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCCC1 ZINC001202677587 1024836231 /nfs/dbraw/zinc/83/62/31/1024836231.db2.gz XEHPIGVGAGPGLQ-BQYQJAHWSA-N 1 0 316.489 3.952 20 10 DHCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000792976791 1024850354 /nfs/dbraw/zinc/85/03/54/1024850354.db2.gz QQUSOUIMUOVTPZ-QUCCMNQESA-N 1 0 316.489 3.970 20 10 DHCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000792997483 1024860688 /nfs/dbraw/zinc/86/06/88/1024860688.db2.gz XJUYUILXLCKENX-HNNXBMFYSA-N 1 0 318.383 3.532 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCOC(C)(C)CC)cc1F ZINC001202690747 1024872278 /nfs/dbraw/zinc/87/22/78/1024872278.db2.gz COVAAXRWUITQKI-UHFFFAOYSA-N 1 0 310.457 3.967 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)c1 ZINC000825935168 1033245686 /nfs/dbraw/zinc/24/56/86/1033245686.db2.gz OCEJCXGIMZSSRO-NWDGAFQWSA-N 1 0 312.369 3.954 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000793235305 1024952846 /nfs/dbraw/zinc/95/28/46/1024952846.db2.gz FVQFFAJGCPMNFE-AEFFLSMTSA-N 1 0 303.377 3.523 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000793238718 1024954925 /nfs/dbraw/zinc/95/49/25/1024954925.db2.gz JMMPFUORVAQAKQ-UYAOXDASSA-N 1 0 311.425 3.613 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(C)c3ncccc3c2)c(O)c1 ZINC000793388068 1025029349 /nfs/dbraw/zinc/02/93/49/1025029349.db2.gz KIWAYFRSGOXVES-UHFFFAOYSA-N 1 0 308.381 3.547 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000793389415 1025031718 /nfs/dbraw/zinc/03/17/18/1025031718.db2.gz YAQZLYJZDVCGLT-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO C[C@@]12CC[N@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]1C2(F)F ZINC000793517212 1025068494 /nfs/dbraw/zinc/06/84/94/1025068494.db2.gz FIWHCEJRASWKRX-DLBZAZTESA-N 1 0 307.384 3.748 20 10 DHCDRO CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccccc1O ZINC000121086805 1025072065 /nfs/dbraw/zinc/07/20/65/1025072065.db2.gz IKRXRQBVDSLZST-SFHVURJKSA-N 1 0 315.413 3.658 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1O ZINC000279609480 1025094644 /nfs/dbraw/zinc/09/46/44/1025094644.db2.gz XFCPLPZUPKYPBW-NVXWUHKLSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(C)cc1O ZINC000793573370 1025126925 /nfs/dbraw/zinc/12/69/25/1025126925.db2.gz QDESTUCDAQSFJO-KRWDZBQOSA-N 1 0 309.413 3.860 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000793620457 1025135807 /nfs/dbraw/zinc/13/58/07/1025135807.db2.gz PGFQZDGDPKHFMY-LJQANCHMSA-N 1 0 320.452 3.674 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000279869069 1025297546 /nfs/dbraw/zinc/29/75/46/1025297546.db2.gz TVTZWJDPXXPUPZ-KRWDZBQOSA-N 1 0 301.361 3.707 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000825949537 1033276327 /nfs/dbraw/zinc/27/63/27/1033276327.db2.gz WSVPFVLDYMQIAW-IAGOWNOFSA-N 1 0 321.848 3.888 20 10 DHCDRO CO[C@H]1CCC[C@H]([NH2+]CCCSc2nccs2)CC1 ZINC000885992139 1025432378 /nfs/dbraw/zinc/43/23/78/1025432378.db2.gz AVGOOKGJAQKWLP-STQMWFEESA-N 1 0 300.493 3.563 20 10 DHCDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c(O)c1 ZINC000886344370 1025596832 /nfs/dbraw/zinc/59/68/32/1025596832.db2.gz CURMZZSGGPXJCC-GOSISDBHSA-N 1 0 319.445 3.620 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000860054389 1033293532 /nfs/dbraw/zinc/29/35/32/1033293532.db2.gz PGFXDXMUUHERMS-MRVPVSSYSA-N 1 0 310.806 3.556 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000886364295 1025602482 /nfs/dbraw/zinc/60/24/82/1025602482.db2.gz VSAMLYZJYNGHLS-QGZVFWFLSA-N 1 0 301.361 3.707 20 10 DHCDRO CCn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2ccccc2)n1 ZINC000893962098 1025616024 /nfs/dbraw/zinc/61/60/24/1025616024.db2.gz KZTXGJOZEHVBDW-UHFFFAOYSA-N 1 0 321.424 3.908 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1F ZINC000886524578 1025678397 /nfs/dbraw/zinc/67/83/97/1025678397.db2.gz MXVOPOFEPVIXSU-KRWDZBQOSA-N 1 0 313.420 3.844 20 10 DHCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000245933290 1025749653 /nfs/dbraw/zinc/74/96/53/1025749653.db2.gz WFJWKSRRNHQQTA-JEDBISTDSA-N 1 0 314.473 3.751 20 10 DHCDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000806131169 1025774494 /nfs/dbraw/zinc/77/44/94/1025774494.db2.gz HSBYPKMIHVNJQU-RDJZCZTQSA-N 1 0 320.452 3.577 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806142108 1025800288 /nfs/dbraw/zinc/80/02/88/1025800288.db2.gz YNZMPGGTHSXJMC-INIZCTEOSA-N 1 0 315.848 3.887 20 10 DHCDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1O ZINC000075829213 1025853051 /nfs/dbraw/zinc/85/30/51/1025853051.db2.gz HIYUSCBEOTWVKC-UHFFFAOYSA-N 1 0 312.413 3.551 20 10 DHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000236961139 1025864022 /nfs/dbraw/zinc/86/40/22/1025864022.db2.gz GTLBCQQUYHMIPC-UHFFFAOYSA-N 1 0 312.457 3.574 20 10 DHCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090763104 1026083846 /nfs/dbraw/zinc/08/38/46/1026083846.db2.gz YNEOLQBPBBVMBF-STQMWFEESA-N 1 0 301.434 3.812 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2OC)c1 ZINC000237032796 1026141159 /nfs/dbraw/zinc/14/11/59/1026141159.db2.gz ANLYOPGDQHOHKC-UHFFFAOYSA-N 1 0 315.413 3.824 20 10 DHCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000245717931 1026159315 /nfs/dbraw/zinc/15/93/15/1026159315.db2.gz HJIQAJRQSCZMRF-CXAGYDPISA-N 1 0 303.427 3.724 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000289958032 1026251902 /nfs/dbraw/zinc/25/19/02/1026251902.db2.gz WOKNZJVPSFCEBI-QGZVFWFLSA-N 1 0 318.486 3.664 20 10 DHCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000237073041 1026293473 /nfs/dbraw/zinc/29/34/73/1026293473.db2.gz APHZHDVSSGWJDP-FUHWJXTLSA-N 1 0 302.462 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1C ZINC000808431814 1026300874 /nfs/dbraw/zinc/30/08/74/1026300874.db2.gz ZSLWTORYFGDTNJ-INIZCTEOSA-N 1 0 319.832 3.528 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H]2CSCc3ccccc32)c1O ZINC000894204119 1026346674 /nfs/dbraw/zinc/34/66/74/1026346674.db2.gz IXHWUPZSYOUUSJ-INIZCTEOSA-N 1 0 315.438 3.787 20 10 DHCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1O ZINC000808680573 1026348194 /nfs/dbraw/zinc/34/81/94/1026348194.db2.gz MNTHXQLKKLXSFP-LLVKDONJSA-N 1 0 323.795 3.836 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1O ZINC000808674164 1026352879 /nfs/dbraw/zinc/35/28/79/1026352879.db2.gz OCBGGEGGHJCLQH-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1O ZINC000808715634 1026363654 /nfs/dbraw/zinc/36/36/54/1026363654.db2.gz WSCQGVMUQIIVAQ-PEYYIBSZSA-N 1 0 309.837 3.962 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000808697197 1026373061 /nfs/dbraw/zinc/37/30/61/1026373061.db2.gz YWCCDVVSNKMISI-SCLBCKFNSA-N 1 0 319.832 3.912 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3nccc4ccccc43)ccc21 ZINC000894208727 1026402334 /nfs/dbraw/zinc/40/23/34/1026402334.db2.gz KRFRNHVBQQCFBK-UHFFFAOYSA-N 1 0 317.436 3.907 20 10 DHCDRO COc1cc(C)cc(C[NH2+]CCc2csc(C(C)C)n2)c1O ZINC000894215973 1026455119 /nfs/dbraw/zinc/45/51/19/1026455119.db2.gz ZLDUPXIPGTYPQW-UHFFFAOYSA-N 1 0 320.458 3.621 20 10 DHCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000809609547 1026563408 /nfs/dbraw/zinc/56/34/08/1026563408.db2.gz LDCQYKMIROJXPT-KRWDZBQOSA-N 1 0 318.505 3.667 20 10 DHCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000809617265 1026565983 /nfs/dbraw/zinc/56/59/83/1026565983.db2.gz LWYLAWLWQSPAKJ-UHFFFAOYSA-N 1 0 304.503 3.908 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280014714 1026569790 /nfs/dbraw/zinc/56/97/90/1026569790.db2.gz GXKMJDOEPJKKPK-SFHVURJKSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccc(C)cc1O ZINC000280038364 1026576362 /nfs/dbraw/zinc/57/63/62/1026576362.db2.gz IQQSMYFCYYHPHX-PXAZEXFGSA-N 1 0 302.418 3.977 20 10 DHCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700202 1026587491 /nfs/dbraw/zinc/58/74/91/1026587491.db2.gz ACNVTONEKXUGKH-NWDGAFQWSA-N 1 0 315.816 3.700 20 10 DHCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000809728382 1026594850 /nfs/dbraw/zinc/59/48/50/1026594850.db2.gz VIHHKKBPYBMOCI-UHFFFAOYSA-N 1 0 318.848 3.609 20 10 DHCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(OCC)cc1O ZINC000809734925 1026597719 /nfs/dbraw/zinc/59/77/19/1026597719.db2.gz SOEZUMMPISQUGK-UHFFFAOYSA-N 1 0 314.429 3.641 20 10 DHCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000809724582 1026604214 /nfs/dbraw/zinc/60/42/14/1026604214.db2.gz QJSQAQMGIPDYHX-FXAWDEMLSA-N 1 0 315.505 3.591 20 10 DHCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000809766977 1026605054 /nfs/dbraw/zinc/60/50/54/1026605054.db2.gz CTFBHLKHHQHSHH-GFCCVEGCSA-N 1 0 303.855 3.628 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1O ZINC000809767876 1026606041 /nfs/dbraw/zinc/60/60/41/1026606041.db2.gz WRLGACXUUMUURG-QGZVFWFLSA-N 1 0 321.424 3.715 20 10 DHCDRO CN(C)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1F ZINC000809737351 1026609396 /nfs/dbraw/zinc/60/93/96/1026609396.db2.gz GMVOWUKMTSXYKL-UHFFFAOYSA-N 1 0 313.420 3.666 20 10 DHCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809755623 1026615609 /nfs/dbraw/zinc/61/56/09/1026615609.db2.gz AHVUSBVSJAODEF-FQEVSTJZSA-N 1 0 316.489 3.804 20 10 DHCDRO CCOc1ccc(C[N@H+](C)[C@H](CC)c2ccncc2)c(O)c1 ZINC000809765538 1026620792 /nfs/dbraw/zinc/62/07/92/1026620792.db2.gz NZXNUEHUZIASQG-QGZVFWFLSA-N 1 0 300.402 3.769 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(C)cc1O ZINC000280302091 1026632362 /nfs/dbraw/zinc/63/23/62/1026632362.db2.gz ZYSKRRFFSZYABX-FUHWJXTLSA-N 1 0 303.377 3.614 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCCCC2=O)cc1 ZINC000810178989 1026699905 /nfs/dbraw/zinc/69/99/05/1026699905.db2.gz CDDMPBGFYUUTCV-OAHLLOKOSA-N 1 0 324.424 3.760 20 10 DHCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000810173952 1026706978 /nfs/dbraw/zinc/70/69/78/1026706978.db2.gz LORSXDOJDBOKJG-IAGOWNOFSA-N 1 0 324.468 3.762 20 10 DHCDRO CC[C@H]([NH2+]CC1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810215089 1026708039 /nfs/dbraw/zinc/70/80/39/1026708039.db2.gz QLFBQBJNGNCUMZ-AWEZNQCLSA-N 1 0 317.351 3.878 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810215593 1026709137 /nfs/dbraw/zinc/70/91/37/1026709137.db2.gz HSTWBFQQGDDYFQ-CQSZACIVSA-N 1 0 318.383 3.792 20 10 DHCDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220043 1026710508 /nfs/dbraw/zinc/71/05/08/1026710508.db2.gz ZXUCXLKDPOYSAC-AAEUAGOBSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810224877 1026712641 /nfs/dbraw/zinc/71/26/41/1026712641.db2.gz ZNPKOUWDAWOAED-AAEUAGOBSA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810224883 1026713232 /nfs/dbraw/zinc/71/32/32/1026713232.db2.gz ZNPKOUWDAWOAED-YPMHNXCESA-N 1 0 305.340 3.613 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226801 1026713683 /nfs/dbraw/zinc/71/36/83/1026713683.db2.gz LOJZZVIOKUDXKL-ZIAGYGMSSA-N 1 0 317.351 3.613 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1O ZINC000810229416 1026714954 /nfs/dbraw/zinc/71/49/54/1026714954.db2.gz XKEGXDYLKZLXDV-TVQRCGJNSA-N 1 0 313.323 3.936 20 10 DHCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000810259240 1026717931 /nfs/dbraw/zinc/71/79/31/1026717931.db2.gz FPXXLJDXOMUBHT-JXFKEZNVSA-N 1 0 316.489 3.879 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810212123 1026718464 /nfs/dbraw/zinc/71/84/64/1026718464.db2.gz MFEJNFUSNVEXAJ-GWCFXTLKSA-N 1 0 305.340 3.734 20 10 DHCDRO CC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1O)OC ZINC000810260188 1026720466 /nfs/dbraw/zinc/72/04/66/1026720466.db2.gz GTMIVRBOSVLAMS-ZYHUDNBSSA-N 1 0 316.239 3.539 20 10 DHCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)OC ZINC000810261060 1026721048 /nfs/dbraw/zinc/72/10/48/1026721048.db2.gz SVPGPPRVLNMUDH-YPMHNXCESA-N 1 0 305.340 3.877 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811510808 1027026128 /nfs/dbraw/zinc/02/61/28/1027026128.db2.gz PICRGUAYWKSYMD-ZBFHGGJFSA-N 1 0 309.837 3.743 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811510806 1027026810 /nfs/dbraw/zinc/02/68/10/1027026810.db2.gz PICRGUAYWKSYMD-GOEBONIOSA-N 1 0 309.837 3.743 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811510807 1027027543 /nfs/dbraw/zinc/02/75/43/1027027543.db2.gz PICRGUAYWKSYMD-HOCLYGCPSA-N 1 0 309.837 3.743 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1C ZINC000811513364 1027029265 /nfs/dbraw/zinc/02/92/65/1027029265.db2.gz UUCMVDWTGWPXAJ-IBGZPJMESA-N 1 0 322.452 3.646 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000931554141 1027168803 /nfs/dbraw/zinc/16/88/03/1027168803.db2.gz LVEIJDHLYBQQKQ-JTNHKYCSSA-N 1 0 303.324 3.543 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000271874287 1027171002 /nfs/dbraw/zinc/17/10/02/1027171002.db2.gz XHFYHUGUSTXOEA-GTNSWQLSSA-N 1 0 301.361 3.878 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1O ZINC001170671649 1027209303 /nfs/dbraw/zinc/20/93/03/1027209303.db2.gz DZLSCWOLLSZNLY-FZMZJTMJSA-N 1 0 303.352 3.879 20 10 DHCDRO Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000812293763 1027249253 /nfs/dbraw/zinc/24/92/53/1027249253.db2.gz XSQHTBYJAHNGHR-MRXNPFEDSA-N 1 0 305.462 3.997 20 10 DHCDRO CO[C@](C)(C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000812734255 1027378752 /nfs/dbraw/zinc/37/87/52/1027378752.db2.gz KCYYDFWHMQZONQ-ORAYPTAESA-N 1 0 303.446 3.737 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1 ZINC000812736937 1027381620 /nfs/dbraw/zinc/38/16/20/1027381620.db2.gz FQUGMZROJNRBTP-IBGZPJMESA-N 1 0 322.456 3.880 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1F ZINC000812777190 1027400216 /nfs/dbraw/zinc/40/02/16/1027400216.db2.gz YVKLSWOXNYLRIF-MRXNPFEDSA-N 1 0 308.441 3.671 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2N2CCCCC2)c1 ZINC000778114796 1027595086 /nfs/dbraw/zinc/59/50/86/1027595086.db2.gz MGTLPVKOHGZMNV-UHFFFAOYSA-N 1 0 310.441 3.981 20 10 DHCDRO COc1ccc([C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331856 1027608908 /nfs/dbraw/zinc/60/89/08/1027608908.db2.gz WWSILFQCTWLVBN-KGLIPLIRSA-N 1 0 315.413 3.864 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000813332075 1027609310 /nfs/dbraw/zinc/60/93/10/1027609310.db2.gz ZOJKSBFHNSWBFE-VIFPVBQESA-N 1 0 311.303 3.669 20 10 DHCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@@H]1C ZINC000813855729 1027729624 /nfs/dbraw/zinc/72/96/24/1027729624.db2.gz SPRACYGXVVHHFC-BHDXSGHGSA-N 1 0 320.452 3.573 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1C ZINC000813857473 1027731068 /nfs/dbraw/zinc/73/10/68/1027731068.db2.gz JKDNYYIXWSFVDN-OEUWWYETSA-N 1 0 324.415 3.891 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000364621023 1027855411 /nfs/dbraw/zinc/85/54/11/1027855411.db2.gz GIDXNIKYJMJJQV-MAUKXSAKSA-N 1 0 301.386 3.818 20 10 DHCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779021349 1027868037 /nfs/dbraw/zinc/86/80/37/1027868037.db2.gz CRANSFKYVNRRKF-WDEREUQCSA-N 1 0 316.239 3.539 20 10 DHCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779021347 1027869805 /nfs/dbraw/zinc/86/98/05/1027869805.db2.gz CRANSFKYVNRRKF-QWRGUYRKSA-N 1 0 316.239 3.539 20 10 DHCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)OC)c1 ZINC000527924845 1027954951 /nfs/dbraw/zinc/95/49/51/1027954951.db2.gz ICZGROMNSGZSPP-KPZWWZAWSA-N 1 0 319.376 3.578 20 10 DHCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1ccncc1 ZINC000814227917 1027963112 /nfs/dbraw/zinc/96/31/12/1027963112.db2.gz PVLHDEFMXOASEA-IBGZPJMESA-N 1 0 308.425 3.859 20 10 DHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000779038072 1027993718 /nfs/dbraw/zinc/99/37/18/1027993718.db2.gz INAIJICAYDKPGI-NXEZZACHSA-N 1 0 324.222 3.598 20 10 DHCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)cn1 ZINC000527992689 1028016516 /nfs/dbraw/zinc/01/65/16/1028016516.db2.gz ZUUTXPCUBSBRPK-AWEZNQCLSA-N 1 0 322.408 3.842 20 10 DHCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000779061238 1028110852 /nfs/dbraw/zinc/11/08/52/1028110852.db2.gz KBFRJHFFOVXPLD-QGZVFWFLSA-N 1 0 304.478 3.564 20 10 DHCDRO CNc1ccccc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170753983 1028131444 /nfs/dbraw/zinc/13/14/44/1028131444.db2.gz IOHBGPCZHLWBIN-SFHVURJKSA-N 1 0 309.457 3.847 20 10 DHCDRO CC(C)[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000814630837 1028131569 /nfs/dbraw/zinc/13/15/69/1028131569.db2.gz ZESAXOBYEOKLPF-JXFKEZNVSA-N 1 0 313.441 3.972 20 10 DHCDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000779072888 1028166668 /nfs/dbraw/zinc/16/66/68/1028166668.db2.gz MCUUDJGNMYGZIV-LSDHHAIUSA-N 1 0 308.441 3.892 20 10 DHCDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000780793968 1028183616 /nfs/dbraw/zinc/18/36/16/1028183616.db2.gz ZWXZOGOGVQBXGR-TZMCWYRMSA-N 1 0 300.368 3.915 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000779081619 1028192428 /nfs/dbraw/zinc/19/24/28/1028192428.db2.gz BNGQQFDQJSRNCZ-AWEZNQCLSA-N 1 0 310.397 3.523 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1[O-] ZINC000367491331 1028192864 /nfs/dbraw/zinc/19/28/64/1028192864.db2.gz SPUKUXVGBICYMC-IOASZLSFSA-N 1 0 308.853 3.713 20 10 DHCDRO CO[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000779087102 1028222180 /nfs/dbraw/zinc/22/21/80/1028222180.db2.gz LYAVPIRBPVKTMD-MRXNPFEDSA-N 1 0 309.768 3.662 20 10 DHCDRO CC(C)COC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159909672 1028308881 /nfs/dbraw/zinc/30/88/81/1028308881.db2.gz NSMKLLOWGZZHKA-UHFFFAOYSA-N 1 0 317.473 3.908 20 10 DHCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815042432 1028343030 /nfs/dbraw/zinc/34/30/30/1028343030.db2.gz PQFOAMGKOFHWMB-GOSISDBHSA-N 1 0 304.478 3.842 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000368368540 1028345478 /nfs/dbraw/zinc/34/54/78/1028345478.db2.gz CMLQFQQIAYSCCW-FZKQIMNGSA-N 1 0 316.470 3.606 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)s1 ZINC000815075513 1028353218 /nfs/dbraw/zinc/35/32/18/1028353218.db2.gz FOVJKOWQKPPQKK-UHFFFAOYSA-N 1 0 303.475 3.500 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1N(C)C ZINC000815112399 1028357457 /nfs/dbraw/zinc/35/74/57/1028357457.db2.gz PXXJOLANCHRAAA-PZJWPPBQSA-N 1 0 323.484 3.596 20 10 DHCDRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815118970 1028365696 /nfs/dbraw/zinc/36/56/96/1028365696.db2.gz NWROIWXOJDAMLI-RTBURBONSA-N 1 0 314.473 3.595 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1 ZINC000815117456 1028365871 /nfs/dbraw/zinc/36/58/71/1028365871.db2.gz NITSSIQXFSECEP-QFBILLFUSA-N 1 0 304.478 3.658 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000815119414 1028367642 /nfs/dbraw/zinc/36/76/42/1028367642.db2.gz WYGAYCAXEHEWLK-RBUKOAKNSA-N 1 0 314.473 3.676 20 10 DHCDRO Cc1cc(C[NH+]2CCC(c3ccncc3)CC2)ccc1N(C)C ZINC000815101957 1028374725 /nfs/dbraw/zinc/37/47/25/1028374725.db2.gz DLBMRELPVYDSQS-UHFFFAOYSA-N 1 0 309.457 3.836 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC2(COC)CCC2)cc1 ZINC000815147563 1028402811 /nfs/dbraw/zinc/40/28/11/1028402811.db2.gz CQGQDSQJLHPLRR-UHFFFAOYSA-N 1 0 304.478 3.829 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000188625453 1028522565 /nfs/dbraw/zinc/52/25/65/1028522565.db2.gz PMBUIUIYTYTHAQ-SLEUVZQESA-N 1 0 317.351 3.526 20 10 DHCDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815559633 1028544064 /nfs/dbraw/zinc/54/40/64/1028544064.db2.gz MIVDKGBYUWRBCL-AWEZNQCLSA-N 1 0 312.413 3.818 20 10 DHCDRO COC[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815566381 1028547075 /nfs/dbraw/zinc/54/70/75/1028547075.db2.gz RPXPWDSQUGKGJC-VQIMIIECSA-N 1 0 313.441 3.938 20 10 DHCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000815577950 1028552188 /nfs/dbraw/zinc/55/21/88/1028552188.db2.gz DKLQDMNSBAYXFQ-SFHVURJKSA-N 1 0 311.425 3.571 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c(O)c1 ZINC000815593540 1028559371 /nfs/dbraw/zinc/55/93/71/1028559371.db2.gz PMDKKEAUPAGUMF-AWEZNQCLSA-N 1 0 313.397 3.631 20 10 DHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000370222937 1028577313 /nfs/dbraw/zinc/57/73/13/1028577313.db2.gz PDZQPBNGVHFXLG-SJLPKXTDSA-N 1 0 303.446 3.982 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815641138 1028589694 /nfs/dbraw/zinc/58/96/94/1028589694.db2.gz QOAWFPGVHHYHIP-YMTOWFKASA-N 1 0 304.365 3.728 20 10 DHCDRO CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000815647648 1028591368 /nfs/dbraw/zinc/59/13/68/1028591368.db2.gz QPNFQOKXDIHSDB-KRWDZBQOSA-N 1 0 308.441 3.838 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c(O)c1 ZINC000815648075 1028593220 /nfs/dbraw/zinc/59/32/20/1028593220.db2.gz DCEHXJZEGNQZCS-NVXWUHKLSA-N 1 0 305.462 3.848 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000815651982 1028595970 /nfs/dbraw/zinc/59/59/70/1028595970.db2.gz KSECRQVIYVBFAK-QAPCUYQASA-N 1 0 304.478 3.877 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1C ZINC000370373868 1028596746 /nfs/dbraw/zinc/59/67/46/1028596746.db2.gz LDRMBORARKNJOG-BEFAXECRSA-N 1 0 310.441 3.846 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000779188670 1028666954 /nfs/dbraw/zinc/66/69/54/1028666954.db2.gz WQYBXFAFCINOMA-MRXNPFEDSA-N 1 0 309.837 3.745 20 10 DHCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000190051624 1028745736 /nfs/dbraw/zinc/74/57/36/1028745736.db2.gz XGPZJTXLFIADGR-VQIMIIECSA-N 1 0 304.478 3.516 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(O)c1C ZINC000371871203 1028770488 /nfs/dbraw/zinc/77/04/88/1028770488.db2.gz YILYHCCIDRFNNF-OXXUSNJHSA-N 1 0 303.446 3.863 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCCC(F)(F)F)CC2)cc1 ZINC000372054627 1028800697 /nfs/dbraw/zinc/80/06/97/1028800697.db2.gz BBTBIXUNXOKXEM-UHFFFAOYSA-N 1 0 316.367 3.596 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267304 1028835235 /nfs/dbraw/zinc/83/52/35/1028835235.db2.gz KCQPKNYSONRRNZ-IBGZPJMESA-N 1 0 324.424 3.860 20 10 DHCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190223612 1028842638 /nfs/dbraw/zinc/84/26/38/1028842638.db2.gz CHILPFHWJNXJHM-FQEVSTJZSA-N 1 0 316.489 3.661 20 10 DHCDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000372718253 1028888358 /nfs/dbraw/zinc/88/83/58/1028888358.db2.gz PQAQSQAHBVPDIE-HUUCEWRRSA-N 1 0 307.434 3.600 20 10 DHCDRO CCOC(=O)C[N@@H+](Cc1ccc2ccccc2c1O)CC(C)C ZINC000816491800 1028900060 /nfs/dbraw/zinc/90/00/60/1028900060.db2.gz ZAWOCYQFVWJYNX-UHFFFAOYSA-N 1 0 315.413 3.567 20 10 DHCDRO CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816541683 1028925634 /nfs/dbraw/zinc/92/56/34/1028925634.db2.gz RQKDKBWHLGYLEQ-UHFFFAOYSA-N 1 0 314.832 3.539 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC=C(C)CC3)CC2)cc1 ZINC000816545042 1028926973 /nfs/dbraw/zinc/92/69/73/1028926973.db2.gz AZWVNWPVRRKWLK-MRXNPFEDSA-N 1 0 300.446 3.752 20 10 DHCDRO Oc1c(C[NH2+]CCCCNc2ccccn2)ccc2ccccc21 ZINC000816546799 1028928986 /nfs/dbraw/zinc/92/89/86/1028928986.db2.gz WQHAIGATFLKJEQ-UHFFFAOYSA-N 1 0 321.424 3.922 20 10 DHCDRO CCn1nc(C)c(C[NH2+]Cc2ccc3ccccc3c2O)c1C ZINC000816545838 1028930321 /nfs/dbraw/zinc/93/03/21/1028930321.db2.gz KFPKYXZBMPTEJG-UHFFFAOYSA-N 1 0 309.413 3.668 20 10 DHCDRO OCC1(C[NH2+]Cc2ccc3ccccc3c2O)CC2(CCC2)C1 ZINC000816593921 1028939332 /nfs/dbraw/zinc/93/93/32/1028939332.db2.gz JNLNOUOQEUNMBL-UHFFFAOYSA-N 1 0 311.425 3.578 20 10 DHCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000816592283 1028939435 /nfs/dbraw/zinc/93/94/35/1028939435.db2.gz FSEPNJLCLDLTJS-QMMMGPOBSA-N 1 0 311.706 3.959 20 10 DHCDRO CC(C)Cn1ccnc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816563187 1028946311 /nfs/dbraw/zinc/94/63/11/1028946311.db2.gz NFPMCVBHBKRCRV-UHFFFAOYSA-N 1 0 309.413 3.688 20 10 DHCDRO C[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])[NH+]1CCCCC1 ZINC000816568129 1028947997 /nfs/dbraw/zinc/94/79/97/1028947997.db2.gz XJXHCQDPJXTESK-LBPRGKRZSA-N 1 0 314.832 3.539 20 10 DHCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000816624717 1028953881 /nfs/dbraw/zinc/95/38/81/1028953881.db2.gz FLVUOPLHJXCWGB-GOSISDBHSA-N 1 0 320.452 3.529 20 10 DHCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CCCC1 ZINC000816598540 1028955481 /nfs/dbraw/zinc/95/54/81/1028955481.db2.gz GQENDSDHMUMKRS-INIZCTEOSA-N 1 0 313.441 3.824 20 10 DHCDRO Oc1c(C[NH2+]Cc2noc3c2CCCC3)ccc2ccccc21 ZINC000816612914 1028964356 /nfs/dbraw/zinc/96/43/56/1028964356.db2.gz AYDKKVZHKNKDLK-UHFFFAOYSA-N 1 0 308.381 3.702 20 10 DHCDRO Oc1c(C[NH2+]CC[C@H](O)c2ccccc2)ccc2ccccc21 ZINC000816611767 1028966526 /nfs/dbraw/zinc/96/65/26/1028966526.db2.gz WYZNZBGGMSHBBA-IBGZPJMESA-N 1 0 307.393 3.759 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1O ZINC000816643151 1028967261 /nfs/dbraw/zinc/96/72/61/1028967261.db2.gz WMROTGBFODFQJI-OAHLLOKOSA-N 1 0 317.351 3.632 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817366748 1029145538 /nfs/dbraw/zinc/14/55/38/1029145538.db2.gz YWVCTXBZCRZLBL-LBPRGKRZSA-N 1 0 317.351 3.874 20 10 DHCDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817413274 1029153307 /nfs/dbraw/zinc/15/33/07/1029153307.db2.gz VNFLLCQQTPOTMC-CVEARBPZSA-N 1 0 311.425 3.510 20 10 DHCDRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000155247751 1029209438 /nfs/dbraw/zinc/20/94/38/1029209438.db2.gz CMQVRHRSOMHHCM-IEBWSBKVSA-N 1 0 312.457 3.606 20 10 DHCDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000155247456 1029210087 /nfs/dbraw/zinc/21/00/87/1029210087.db2.gz CMQVRHRSOMHHCM-HKUYNNGSSA-N 1 0 312.457 3.606 20 10 DHCDRO CCc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938941 1029281449 /nfs/dbraw/zinc/28/14/49/1029281449.db2.gz WAVHMPKXKBICCD-MGPUTAFESA-N 1 0 311.473 3.666 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817937988 1029281938 /nfs/dbraw/zinc/28/19/38/1029281938.db2.gz AXJVOYQKTMBSSQ-FZKQIMNGSA-N 1 0 317.864 3.757 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817945672 1029286104 /nfs/dbraw/zinc/28/61/04/1029286104.db2.gz JESVIGBHXAYKBZ-HZMBPMFUSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817946669 1029288717 /nfs/dbraw/zinc/28/87/17/1029288717.db2.gz CVRIVSONRDBZHK-IDKOKCKLSA-N 1 0 303.233 3.620 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000817948382 1029289959 /nfs/dbraw/zinc/28/99/59/1029289959.db2.gz ZDQKPSIZNFFYRF-OUAUKWLOSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954866 1029295057 /nfs/dbraw/zinc/29/50/57/1029295057.db2.gz LKMUIEMOEKLOKP-MFKMUULPSA-N 1 0 317.260 3.739 20 10 DHCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000817956969 1029296743 /nfs/dbraw/zinc/29/67/43/1029296743.db2.gz GRMJMAGOSBXFPH-KRWDZBQOSA-N 1 0 316.832 3.968 20 10 DHCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1OC(F)F ZINC000817956280 1029296917 /nfs/dbraw/zinc/29/69/17/1029296917.db2.gz VPQKZZTVIMOPEJ-LLVKDONJSA-N 1 0 324.346 3.903 20 10 DHCDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCS2 ZINC000817956704 1029297707 /nfs/dbraw/zinc/29/77/07/1029297707.db2.gz AWBHTBBISPWIJE-KRWDZBQOSA-N 1 0 314.454 3.647 20 10 DHCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)cnn1-c1ccccc1 ZINC000817956392 1029297980 /nfs/dbraw/zinc/29/79/80/1029297980.db2.gz YCXJZSUNGSXRQR-HNNXBMFYSA-N 1 0 320.440 3.656 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958640 1029298084 /nfs/dbraw/zinc/29/80/84/1029298084.db2.gz KZDPVZQWLNRLMD-QWHCGFSZSA-N 1 0 305.249 3.723 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955076 1029298189 /nfs/dbraw/zinc/29/81/89/1029298189.db2.gz PSZIQLYVIZKDHY-IINYFYTJSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817962151 1029300535 /nfs/dbraw/zinc/30/05/35/1029300535.db2.gz GMNHXLOFOOBYAY-YVEFUNNKSA-N 1 0 302.393 3.792 20 10 DHCDRO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817960484 1029302621 /nfs/dbraw/zinc/30/26/21/1029302621.db2.gz ZQMUFGBUBNACAH-FUHWJXTLSA-N 1 0 303.494 3.701 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969270 1029306537 /nfs/dbraw/zinc/30/65/37/1029306537.db2.gz AREHRDQWZUGILQ-BIGNPOOSSA-N 1 0 317.260 3.738 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966227 1029306784 /nfs/dbraw/zinc/30/67/84/1029306784.db2.gz JGJZJNIDUNKZFU-ZUZCIYMTSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000817967211 1029307398 /nfs/dbraw/zinc/30/73/98/1029307398.db2.gz FQAUKAVIWUORKA-APPDUMDISA-N 1 0 300.377 3.842 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968804 1029307642 /nfs/dbraw/zinc/30/76/42/1029307642.db2.gz MUCCEBOYIHWDOQ-MFKMUULPSA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966226 1029307822 /nfs/dbraw/zinc/30/78/22/1029307822.db2.gz JGJZJNIDUNKZFU-MEBBXXQBSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968802 1029308777 /nfs/dbraw/zinc/30/87/77/1029308777.db2.gz MUCCEBOYIHWDOQ-GXFFZTMASA-N 1 0 317.260 3.882 20 10 DHCDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817979443 1029316897 /nfs/dbraw/zinc/31/68/97/1029316897.db2.gz BCYXTKZRRCYAGM-NEPJUHHUSA-N 1 0 316.367 3.594 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(N(C)C)cc1 ZINC000817978127 1029317701 /nfs/dbraw/zinc/31/77/01/1029317701.db2.gz WOSYZDJLGRYQEI-HNNXBMFYSA-N 1 0 309.457 3.962 20 10 DHCDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984880 1029321029 /nfs/dbraw/zinc/32/10/29/1029321029.db2.gz BHHGBVSKTRDDEG-SNVBAGLBSA-N 1 0 315.244 3.659 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncn2C(C)C)cc1F ZINC000818187299 1029350998 /nfs/dbraw/zinc/35/09/98/1029350998.db2.gz XAYHWKOHCPRCSV-UHFFFAOYSA-N 1 0 318.440 3.739 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3sccc3C)C2)cc1 ZINC000818220049 1029357200 /nfs/dbraw/zinc/35/72/00/1029357200.db2.gz IBUFHCGDOSMQBG-OAHLLOKOSA-N 1 0 316.470 3.681 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000374495189 1029359392 /nfs/dbraw/zinc/35/93/92/1029359392.db2.gz HOQOXIFDKRGILB-YLJYHZDGSA-N 1 0 311.425 3.876 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000374496022 1029359518 /nfs/dbraw/zinc/35/95/18/1029359518.db2.gz KPGFYZWKIDENPQ-QUCCMNQESA-N 1 0 310.441 3.620 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000818341753 1029372779 /nfs/dbraw/zinc/37/27/79/1029372779.db2.gz FWRDQOHNCFMFMU-UIAACRFSSA-N 1 0 314.473 3.690 20 10 DHCDRO CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccccc1O ZINC000156176935 1029403555 /nfs/dbraw/zinc/40/35/55/1029403555.db2.gz BMHTZQFRHQYUPI-KRWDZBQOSA-N 1 0 309.413 3.632 20 10 DHCDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2O)c(C)c1OC ZINC000290227958 1029957729 /nfs/dbraw/zinc/95/77/29/1029957729.db2.gz SMYYVGUAYAXUGE-CQSZACIVSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1C ZINC000865726365 1029992607 /nfs/dbraw/zinc/99/26/07/1029992607.db2.gz MRORMHCRNJCTPF-SFHVURJKSA-N 1 0 303.446 3.838 20 10 DHCDRO CCOCc1cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)ccc1OC ZINC000865746556 1030000746 /nfs/dbraw/zinc/00/07/46/1030000746.db2.gz OMBHAHKHIQQEHY-GOSISDBHSA-N 1 0 321.461 3.669 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865761450 1030011653 /nfs/dbraw/zinc/01/16/53/1030011653.db2.gz NNNOMOHLXKKIBS-AZUAARDMSA-N 1 0 314.473 3.582 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000865787671 1030025144 /nfs/dbraw/zinc/02/51/44/1030025144.db2.gz QSXLCNDTMIWNPI-UHFFFAOYSA-N 1 0 300.358 3.515 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1O ZINC000245873367 1030167320 /nfs/dbraw/zinc/16/73/20/1030167320.db2.gz SDUUSYYHSNGAAM-JKSUJKDBSA-N 1 0 317.454 3.850 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(OC)n1 ZINC000924861131 1030209351 /nfs/dbraw/zinc/20/93/51/1030209351.db2.gz IHHSHMKBJVJADE-OAHLLOKOSA-N 1 0 317.408 3.536 20 10 DHCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000823387356 1030273986 /nfs/dbraw/zinc/27/39/86/1030273986.db2.gz YJGZSHMPCZVZPO-QGZVFWFLSA-N 1 0 317.454 3.943 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(C)cc1O ZINC000866426189 1030292043 /nfs/dbraw/zinc/29/20/43/1030292043.db2.gz UVHKBXQCAWTADB-HOCLYGCPSA-N 1 0 307.434 3.531 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000866480115 1030316999 /nfs/dbraw/zinc/31/69/99/1030316999.db2.gz FIXHIQULXFZJDJ-PBHICJAKSA-N 1 0 319.445 3.791 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000866510220 1030335736 /nfs/dbraw/zinc/33/57/36/1030335736.db2.gz LDTZRJKJAQHINI-YJLNNSPDSA-N 1 0 302.462 3.608 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291157355 1030369544 /nfs/dbraw/zinc/36/95/44/1030369544.db2.gz CACLYOMXLGRDMD-IBGZPJMESA-N 1 0 319.408 3.703 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000823729445 1030383815 /nfs/dbraw/zinc/38/38/15/1030383815.db2.gz GWTWKIKOBRGNNZ-RDJZCZTQSA-N 1 0 302.462 3.753 20 10 DHCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OCC ZINC000121148163 1030399944 /nfs/dbraw/zinc/39/99/44/1030399944.db2.gz GGWOWYYGKXPDAW-UHFFFAOYSA-N 1 0 315.413 3.822 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000823836163 1030408752 /nfs/dbraw/zinc/40/87/52/1030408752.db2.gz AJUIAKDYLBZCHC-IZZQQSIFSA-N 1 0 316.489 3.969 20 10 DHCDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000866623913 1030411676 /nfs/dbraw/zinc/41/16/76/1030411676.db2.gz WQJGQYOUJCURGO-IAQYHMDHSA-N 1 0 311.372 3.813 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1 ZINC000866641438 1030418004 /nfs/dbraw/zinc/41/80/04/1030418004.db2.gz RCJGSWMZEAXQMF-ZDUSSCGKSA-N 1 0 312.413 3.531 20 10 DHCDRO CC[C@H](c1ccc(C)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755200 1030481890 /nfs/dbraw/zinc/48/18/90/1030481890.db2.gz UTRBQJZBEGONOZ-QGZVFWFLSA-N 1 0 312.413 3.629 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925794310 1030498489 /nfs/dbraw/zinc/49/84/89/1030498489.db2.gz DEEHAQYMHYMNOR-GMTAPVOTSA-N 1 0 317.260 3.595 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925881481 1030531301 /nfs/dbraw/zinc/53/13/01/1030531301.db2.gz BQOJWFYMXOGXIA-NRUUGDAUSA-N 1 0 317.260 3.867 20 10 DHCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057125 1030569397 /nfs/dbraw/zinc/56/93/97/1030569397.db2.gz UTSXLAUCBQWLBB-OAHLLOKOSA-N 1 0 313.828 3.961 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(C)C)CN2CCCC2)c1 ZINC000824559238 1030582807 /nfs/dbraw/zinc/58/28/07/1030582807.db2.gz LXJANGQFJDVLJF-CVEARBPZSA-N 1 0 320.477 3.562 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1C ZINC000824589875 1030590197 /nfs/dbraw/zinc/59/01/97/1030590197.db2.gz IZZWYHDJTIYITO-UHFFFAOYSA-N 1 0 310.319 3.713 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000824597172 1030591594 /nfs/dbraw/zinc/59/15/94/1030591594.db2.gz PPFZOVBEOCPXFR-UHFFFAOYSA-N 1 0 302.462 3.749 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2ccoc2)c(O)c(C(C)(C)C)c1 ZINC000824606972 1030593982 /nfs/dbraw/zinc/59/39/82/1030593982.db2.gz ZUHRZOGQLHGDOJ-UHFFFAOYSA-N 1 0 303.402 3.923 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c(O)c1 ZINC000824650984 1030600464 /nfs/dbraw/zinc/60/04/64/1030600464.db2.gz ROJFLBSYMJJJSR-CXAGYDPISA-N 1 0 313.397 3.793 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C ZINC000824695934 1030614845 /nfs/dbraw/zinc/61/48/45/1030614845.db2.gz DXJZDXYLDFRYAP-KSZLIROESA-N 1 0 303.446 3.525 20 10 DHCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCC2(F)F)ccc1OC ZINC000824799759 1030641993 /nfs/dbraw/zinc/64/19/93/1030641993.db2.gz QRJBUAQJMIGANF-OAHLLOKOSA-N 1 0 313.388 3.757 20 10 DHCDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000824820858 1030647732 /nfs/dbraw/zinc/64/77/32/1030647732.db2.gz OWVWGNQPPTVXRT-OAHLLOKOSA-N 1 0 312.369 3.680 20 10 DHCDRO C[C@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(Cl)Cl ZINC000824964057 1030671721 /nfs/dbraw/zinc/67/17/21/1030671721.db2.gz IQMWLUPSCVBRHL-AWEZNQCLSA-N 1 0 300.229 3.685 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cc(C)ccc2F)c1 ZINC000824978558 1030691068 /nfs/dbraw/zinc/69/10/68/1030691068.db2.gz WWPNGYAQRTVXEK-ZDUSSCGKSA-N 1 0 303.377 3.742 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000825017620 1030701504 /nfs/dbraw/zinc/70/15/04/1030701504.db2.gz WCXQMOVQOCOFBS-CYBMUJFWSA-N 1 0 315.388 3.966 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825044951 1030706436 /nfs/dbraw/zinc/70/64/36/1030706436.db2.gz AAJJPAVFNIQBKM-ZDUSSCGKSA-N 1 0 307.315 3.895 20 10 DHCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000825098383 1030711568 /nfs/dbraw/zinc/71/15/68/1030711568.db2.gz HXSSBYGRDKRXTA-VBKZILBWSA-N 1 0 311.425 3.962 20 10 DHCDRO COc1ccc(C)cc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825083568 1030718959 /nfs/dbraw/zinc/71/89/59/1030718959.db2.gz HMHWOLJFFJPYSQ-UHFFFAOYSA-N 1 0 305.805 3.961 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000825091066 1030725464 /nfs/dbraw/zinc/72/54/64/1030725464.db2.gz TWQYOCJUOHSYAJ-GOSISDBHSA-N 1 0 304.478 3.516 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1F ZINC000825215434 1030747478 /nfs/dbraw/zinc/74/74/78/1030747478.db2.gz OWMWQCGKXWVYRK-KRWDZBQOSA-N 1 0 308.466 3.611 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1Cl ZINC000825254574 1030761135 /nfs/dbraw/zinc/76/11/35/1030761135.db2.gz RVJHNINUEOGIQZ-LBPRGKRZSA-N 1 0 307.825 3.982 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278637 1030764507 /nfs/dbraw/zinc/76/45/07/1030764507.db2.gz MYGXIQRTNNMWAX-PIGZYNQJSA-N 1 0 323.795 3.705 20 10 DHCDRO CCc1noc(CC)c1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825365947 1030789525 /nfs/dbraw/zinc/78/95/25/1030789525.db2.gz PHYUXPXCHRZFTA-UHFFFAOYSA-N 1 0 308.809 3.757 20 10 DHCDRO CCCCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)n1 ZINC000825406652 1030802863 /nfs/dbraw/zinc/80/28/63/1030802863.db2.gz WHUYJYXJVWSVND-UHFFFAOYSA-N 1 0 321.852 3.949 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926594938 1030817091 /nfs/dbraw/zinc/81/70/91/1030817091.db2.gz FNSIRGAUHOZDBX-LBLBDHKGSA-N 1 0 316.489 3.539 20 10 DHCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825502127 1030827772 /nfs/dbraw/zinc/82/77/72/1030827772.db2.gz ULNRMMSRCXPATG-NSHDSACASA-N 1 0 321.218 3.743 20 10 DHCDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCC2 ZINC000122772859 1030863836 /nfs/dbraw/zinc/86/38/36/1030863836.db2.gz HZINDWDBOVZYMS-MRXNPFEDSA-N 1 0 315.486 3.993 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1C ZINC000237417938 1030900916 /nfs/dbraw/zinc/90/09/16/1030900916.db2.gz MAEGBLOAVPOVOA-KRWDZBQOSA-N 1 0 314.429 3.523 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000122922781 1030921825 /nfs/dbraw/zinc/92/18/25/1030921825.db2.gz RLSKRILIUNLACS-INIZCTEOSA-N 1 0 323.484 3.986 20 10 DHCDRO CC[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926905896 1030980421 /nfs/dbraw/zinc/98/04/21/1030980421.db2.gz QZVFRUXXOWDAEP-WHOFXGATSA-N 1 0 317.351 3.933 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000926917981 1030992409 /nfs/dbraw/zinc/99/24/09/1030992409.db2.gz GFVDJJQSAPQGDG-GFCCVEGCSA-N 1 0 302.443 3.887 20 10 DHCDRO CC(C)(C)c1csc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000844218552 1030997728 /nfs/dbraw/zinc/99/77/28/1030997728.db2.gz CHDGXXOCNHJGQV-UHFFFAOYSA-N 1 0 315.486 3.852 20 10 DHCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncc(-c2ccccc2)o1 ZINC000844218532 1030998420 /nfs/dbraw/zinc/99/84/20/1030998420.db2.gz BVLXCWGIFPLFHQ-UHFFFAOYSA-N 1 0 319.408 3.753 20 10 DHCDRO CC[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1O ZINC000926932078 1031004784 /nfs/dbraw/zinc/00/47/84/1031004784.db2.gz SXGTYBJIMWKTAO-ZDUSSCGKSA-N 1 0 302.443 3.621 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2O ZINC000926949752 1031013422 /nfs/dbraw/zinc/01/34/22/1031013422.db2.gz NSRCGPNFKCGLEK-CKEKPRIKSA-N 1 0 303.299 3.868 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000927067698 1031066938 /nfs/dbraw/zinc/06/69/38/1031066938.db2.gz CYJXPXBTEFCRLO-PLQHRBFRSA-N 1 0 309.837 3.901 20 10 DHCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000927070066 1031070257 /nfs/dbraw/zinc/07/02/57/1031070257.db2.gz ZHEUITFFQSIOSU-KSSFIOAISA-N 1 0 300.450 3.534 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(F)cc(C)cc2F)c1O ZINC000927094486 1031084348 /nfs/dbraw/zinc/08/43/48/1031084348.db2.gz XXHSASOOOLKBJW-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000927098377 1031085707 /nfs/dbraw/zinc/08/57/07/1031085707.db2.gz HQDUZFGXPBVHNI-AWEZNQCLSA-N 1 0 312.461 3.604 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(c3ccccc3)CCCO1)CC2 ZINC000927118741 1031103933 /nfs/dbraw/zinc/10/39/33/1031103933.db2.gz HGPPFASNSKXYHO-FXAWDEMLSA-N 1 0 309.409 3.675 20 10 DHCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)C)cc2)CC1 ZINC000844444999 1031148872 /nfs/dbraw/zinc/14/88/72/1031148872.db2.gz AJMLUXKMCVRPDU-OAHLLOKOSA-N 1 0 304.478 3.826 20 10 DHCDRO Cc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000292826115 1031198255 /nfs/dbraw/zinc/19/82/55/1031198255.db2.gz QNRMQHTXBXBNAV-UHFFFAOYSA-N 1 0 300.358 3.634 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Cl)ccc1O ZINC000844920880 1031401684 /nfs/dbraw/zinc/40/16/84/1031401684.db2.gz NTZOWIWHAPFSIP-FZMZJTMJSA-N 1 0 302.805 3.733 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)ccc21 ZINC000872029952 1031414984 /nfs/dbraw/zinc/41/49/84/1031414984.db2.gz WFPVCSHSOLRCJU-SFHVURJKSA-N 1 0 314.473 3.650 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(O)c1F ZINC000872030133 1031415036 /nfs/dbraw/zinc/41/50/36/1031415036.db2.gz ZOVSOVFPDBMFLQ-CYBMUJFWSA-N 1 0 314.404 3.765 20 10 DHCDRO CC1CC([N@H+](C)Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298417 1031437350 /nfs/dbraw/zinc/43/73/50/1031437350.db2.gz DCUUNXDPGLJSKS-UHFFFAOYSA-N 1 0 302.187 3.524 20 10 DHCDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1 ZINC000929185765 1031460121 /nfs/dbraw/zinc/46/01/21/1031460121.db2.gz YWXNKRNEJONYRI-UHFFFAOYSA-N 1 0 324.472 3.716 20 10 DHCDRO Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(C(F)(F)F)c1 ZINC001144391616 1031513968 /nfs/dbraw/zinc/51/39/68/1031513968.db2.gz RUAWUBMNGXUKJN-UHFFFAOYSA-N 1 0 323.314 3.675 20 10 DHCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000123991231 1031555436 /nfs/dbraw/zinc/55/54/36/1031555436.db2.gz IXIWVKMWRWYGJY-CYBMUJFWSA-N 1 0 302.393 3.790 20 10 DHCDRO CCc1noc(C)c1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000293696443 1031573943 /nfs/dbraw/zinc/57/39/43/1031573943.db2.gz LPWDEWMUDASGMM-QGZVFWFLSA-N 1 0 301.434 3.852 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000124081770 1031608477 /nfs/dbraw/zinc/60/84/77/1031608477.db2.gz AAMIHQZNPJYENG-PBHICJAKSA-N 1 0 317.502 3.768 20 10 DHCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000293779547 1031619427 /nfs/dbraw/zinc/61/94/27/1031619427.db2.gz QAZCAPLFCFTFKU-PKOBYXMFSA-N 1 0 311.425 3.835 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1O ZINC000293791885 1031627896 /nfs/dbraw/zinc/62/78/96/1031627896.db2.gz UJZWKVAVCFMWHW-JTQLQIEISA-N 1 0 311.303 3.984 20 10 DHCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(SC)CC3)c2c1 ZINC000872625833 1031634787 /nfs/dbraw/zinc/63/47/87/1031634787.db2.gz CZOXDPWMLLSLOU-UHFFFAOYSA-N 1 0 317.454 3.881 20 10 DHCDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872803883 1031665190 /nfs/dbraw/zinc/66/51/90/1031665190.db2.gz DTZPOGJFNBKTLE-OAHLLOKOSA-N 1 0 310.319 3.715 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ncc(C)s3)C2)c1 ZINC000361048228 1031695383 /nfs/dbraw/zinc/69/53/83/1031695383.db2.gz KODCJZTUPBZMLH-CYBMUJFWSA-N 1 0 318.442 3.545 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873141389 1031724061 /nfs/dbraw/zinc/72/40/61/1031724061.db2.gz DUYIZUXYFKGFHJ-UHFFFAOYSA-N 1 0 300.358 3.515 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873184197 1031744483 /nfs/dbraw/zinc/74/44/83/1031744483.db2.gz FTQJADHWPITZQJ-GFCCVEGCSA-N 1 0 316.357 3.550 20 10 DHCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000873214353 1031760218 /nfs/dbraw/zinc/76/02/18/1031760218.db2.gz CRHSSLRALSNRSW-SMDDNHRTSA-N 1 0 306.768 3.611 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCC2)o1)Cc1ccccc1O ZINC001137069925 1031781787 /nfs/dbraw/zinc/78/17/87/1031781787.db2.gz SFWBXCADJXIUMC-UHFFFAOYSA-N 1 0 300.402 3.608 20 10 DHCDRO COc1ccc(C[NH2+]CCCSc2nccs2)c(F)c1 ZINC000845938459 1031782939 /nfs/dbraw/zinc/78/29/39/1031782939.db2.gz JBPKPSMHPFBVKN-UHFFFAOYSA-N 1 0 312.435 3.563 20 10 DHCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1snnc1C ZINC000930350966 1031789073 /nfs/dbraw/zinc/78/90/73/1031789073.db2.gz KWDIHLKHYDYDNY-ZDUSSCGKSA-N 1 0 305.447 3.915 20 10 DHCDRO CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1O ZINC000845992331 1031796292 /nfs/dbraw/zinc/79/62/92/1031796292.db2.gz JBKMDLQFRNEPIS-CYBMUJFWSA-N 1 0 302.443 3.968 20 10 DHCDRO CCOc1cccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000846039111 1031833598 /nfs/dbraw/zinc/83/35/98/1031833598.db2.gz UERBGPMCTLXEAV-GJZGRUSLSA-N 1 0 301.789 3.585 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000846053606 1031844824 /nfs/dbraw/zinc/84/48/24/1031844824.db2.gz VCFUAKUBTVWMIY-LJQANCHMSA-N 1 0 302.462 3.678 20 10 DHCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054268 1031846718 /nfs/dbraw/zinc/84/67/18/1031846718.db2.gz KCHXPRPVBAABFF-UHFFFAOYSA-N 1 0 301.764 3.975 20 10 DHCDRO CCOc1cccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1O ZINC000846102976 1031875990 /nfs/dbraw/zinc/87/59/90/1031875990.db2.gz SGMNQTYPWURLMV-LBPRGKRZSA-N 1 0 318.244 3.855 20 10 DHCDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148800 1031882820 /nfs/dbraw/zinc/88/28/20/1031882820.db2.gz HELXLHYKKSHWBJ-WBMJQRKESA-N 1 0 313.397 3.748 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2C)c1O ZINC000846149408 1031883047 /nfs/dbraw/zinc/88/30/47/1031883047.db2.gz YZNOCYAOUZTGHN-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC)c1O ZINC000846148901 1031883889 /nfs/dbraw/zinc/88/38/89/1031883889.db2.gz IIUOOJCVABITCE-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)c1O ZINC000846150356 1031886051 /nfs/dbraw/zinc/88/60/51/1031886051.db2.gz ZMRAAGQKLMVDBK-XJKSGUPXSA-N 1 0 313.397 3.802 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1O ZINC000846156954 1031888272 /nfs/dbraw/zinc/88/82/72/1031888272.db2.gz QHQZQKFPOHLABB-ZHCSWWCTSA-N 1 0 309.409 3.637 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)c1O ZINC000846157385 1031888287 /nfs/dbraw/zinc/88/82/87/1031888287.db2.gz MEFJXPSMAQEOSU-WLYUNCDWSA-N 1 0 307.434 3.788 20 10 DHCDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157775 1031888970 /nfs/dbraw/zinc/88/89/70/1031888970.db2.gz FWTSWYWDJPRAHE-STQMWFEESA-N 1 0 300.402 3.770 20 10 DHCDRO COc1cccc([C@@H](C)Nc2ccc3c(c2)CCCN3C)c1O ZINC000846161910 1031891060 /nfs/dbraw/zinc/89/10/60/1031891060.db2.gz HJLXECRSWUTUHM-CYBMUJFWSA-N 1 0 312.413 3.956 20 10 DHCDRO COCC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161903 1031891353 /nfs/dbraw/zinc/89/13/53/1031891353.db2.gz HEVXSSFSPXBHRY-ZFWWWQNUSA-N 1 0 319.401 3.731 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000846165890 1031893994 /nfs/dbraw/zinc/89/39/94/1031893994.db2.gz PFKJMSOBYFBRCR-IAQYHMDHSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000846168845 1031894672 /nfs/dbraw/zinc/89/46/72/1031894672.db2.gz MQSHUZRIXSFKFK-UNXYVOJBSA-N 1 0 315.360 3.602 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000846169407 1031897233 /nfs/dbraw/zinc/89/72/33/1031897233.db2.gz DNXIPIPWUCAPEX-CQSZACIVSA-N 1 0 312.413 3.568 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000846169592 1031898483 /nfs/dbraw/zinc/89/84/83/1031898483.db2.gz IFMKPFZKGCGFSK-QWHCGFSZSA-N 1 0 315.438 3.941 20 10 DHCDRO COCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCCCC1 ZINC000846170129 1031898582 /nfs/dbraw/zinc/89/85/82/1031898582.db2.gz IOWXKMMIJGHMNZ-CQSZACIVSA-N 1 0 307.434 3.648 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000846138248 1031900832 /nfs/dbraw/zinc/90/08/32/1031900832.db2.gz JBWKSHKRENATBT-VXGBXAGGSA-N 1 0 315.369 3.541 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c1O ZINC000846140171 1031900936 /nfs/dbraw/zinc/90/09/36/1031900936.db2.gz IBAJFGFUDCCFOM-HUUCEWRRSA-N 1 0 314.429 3.576 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCN(C)c2ccccc2)c1O ZINC000846136278 1031901298 /nfs/dbraw/zinc/90/12/98/1031901298.db2.gz IDMZYYRYLLTNIR-HNNXBMFYSA-N 1 0 314.429 3.578 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1O ZINC000846140927 1031901438 /nfs/dbraw/zinc/90/14/38/1031901438.db2.gz AEIPWZRIEPMYOH-BZNIZROVSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)COc2cccc(C)c2)c1O ZINC000846148057 1031911124 /nfs/dbraw/zinc/91/11/24/1031911124.db2.gz ZEARWHYXBAXSAE-LSDHHAIUSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846181433 1031914096 /nfs/dbraw/zinc/91/40/96/1031914096.db2.gz AXUDHRMVPDJFHY-JCGVRSQUSA-N 1 0 303.377 3.612 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@](C)(O)c1ccccc1 ZINC000846185288 1031918628 /nfs/dbraw/zinc/91/86/28/1031918628.db2.gz AZVOPRJROIOGLH-VEVIJQCQSA-N 1 0 319.832 3.992 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2O ZINC000846187091 1031919459 /nfs/dbraw/zinc/91/94/59/1031919459.db2.gz IEZQUWQOJSPUFA-VWCVUJCZSA-N 1 0 319.420 3.874 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846185993 1031920079 /nfs/dbraw/zinc/92/00/79/1031920079.db2.gz CHYZPCGIRAUXEH-MGPUTAFESA-N 1 0 316.489 3.999 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000898320951 1032020688 /nfs/dbraw/zinc/02/06/88/1032020688.db2.gz OQRNYYTYXRFWNY-XQQSMPNESA-N 1 0 307.441 3.902 20 10 DHCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(Cl)cc1 ZINC000877484104 1033317406 /nfs/dbraw/zinc/31/74/06/1033317406.db2.gz XTFCPXXRNNEOLI-MRXNPFEDSA-N 1 0 305.805 3.831 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H](OC(C)C)c2ccccc2)c1O ZINC000877525646 1033336840 /nfs/dbraw/zinc/33/68/40/1033336840.db2.gz KESKCHOYOPGSDB-SFHVURJKSA-N 1 0 315.413 3.657 20 10 DHCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)c1O ZINC000877525449 1033337749 /nfs/dbraw/zinc/33/77/49/1033337749.db2.gz DBDVQRUDHOWJOI-KWCYVHTRSA-N 1 0 303.427 3.744 20 10 DHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)c(C)c1OC ZINC000877533421 1033341089 /nfs/dbraw/zinc/34/10/89/1033341089.db2.gz QBEJOBLWKUVYRN-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)C ZINC000877543863 1033346154 /nfs/dbraw/zinc/34/61/54/1033346154.db2.gz IPJDRMKESNYUNJ-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000877572958 1033364225 /nfs/dbraw/zinc/36/42/25/1033364225.db2.gz MDIPDHSEGNMCSE-CZUORRHYSA-N 1 0 303.427 3.772 20 10 DHCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172847098 1033418509 /nfs/dbraw/zinc/41/85/09/1033418509.db2.gz ZRGUHWBBCLHPFA-NSHDSACASA-N 1 0 323.795 3.654 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877709779 1033420817 /nfs/dbraw/zinc/42/08/17/1033420817.db2.gz IFDSPFXENAFICY-CXAGYDPISA-N 1 0 309.837 3.649 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(OC)c1OC ZINC000877708468 1033421538 /nfs/dbraw/zinc/42/15/38/1033421538.db2.gz MXFFUQYLPGCIKS-MRXNPFEDSA-N 1 0 315.413 3.959 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877709782 1033421737 /nfs/dbraw/zinc/42/17/37/1033421737.db2.gz IFDSPFXENAFICY-SUMWQHHRSA-N 1 0 309.837 3.649 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1O ZINC000877755939 1033432072 /nfs/dbraw/zinc/43/20/72/1033432072.db2.gz UAPBCXOEYQIDPE-CYBMUJFWSA-N 1 0 313.397 3.888 20 10 DHCDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777147753 1033446554 /nfs/dbraw/zinc/44/65/54/1033446554.db2.gz BCHHQBNYUSXQHR-ZDUSSCGKSA-N 1 0 320.864 3.770 20 10 DHCDRO CCc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000877814634 1033468032 /nfs/dbraw/zinc/46/80/32/1033468032.db2.gz VQZHTIZBBSLBNL-OAHLLOKOSA-N 1 0 302.443 3.709 20 10 DHCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000927065247 1033481113 /nfs/dbraw/zinc/48/11/13/1033481113.db2.gz GCSOEXULYYXETL-BNLOLNQZSA-N 1 0 309.837 3.901 20 10 DHCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000927065250 1033481366 /nfs/dbraw/zinc/48/13/66/1033481366.db2.gz GCSOEXULYYXETL-XTQGRXLLSA-N 1 0 309.837 3.901 20 10 DHCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCOC1 ZINC000151899688 1033489799 /nfs/dbraw/zinc/48/97/99/1033489799.db2.gz PJISMMQFTQWHRC-GOSISDBHSA-N 1 0 302.462 3.535 20 10 DHCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC001172951540 1033494082 /nfs/dbraw/zinc/49/40/82/1033494082.db2.gz SYRHZAQERMOIPQ-KGLIPLIRSA-N 1 0 322.449 3.688 20 10 DHCDRO CCCOC1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001173101284 1033540948 /nfs/dbraw/zinc/54/09/48/1033540948.db2.gz LRUMUOWLQYNDAJ-UHFFFAOYSA-N 1 0 319.445 3.584 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000878360368 1033673707 /nfs/dbraw/zinc/67/37/07/1033673707.db2.gz LZGACFYNVUXFRJ-STQMWFEESA-N 1 0 307.434 3.645 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2c(F)cc(C)cc2F)c1O ZINC000927094857 1033675840 /nfs/dbraw/zinc/67/58/40/1033675840.db2.gz XXHSASOOOLKBJW-NSHDSACASA-N 1 0 307.340 3.838 20 10 DHCDRO COc1ccc(C[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1C ZINC001173475144 1033734627 /nfs/dbraw/zinc/73/46/27/1033734627.db2.gz IKCUPVVLLTZGIG-UHFFFAOYSA-N 1 0 303.352 3.539 20 10 DHCDRO CSCC[C@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000862246742 1033794715 /nfs/dbraw/zinc/79/47/15/1033794715.db2.gz BZRLLPAGWQFHHH-JTQLQIEISA-N 1 0 318.280 3.728 20 10 DHCDRO CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC001173617256 1033806436 /nfs/dbraw/zinc/80/64/36/1033806436.db2.gz NYRYRVDMNOMBPV-VWHBUJHXSA-N 1 0 317.429 3.555 20 10 DHCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCS1 ZINC000862273580 1033808170 /nfs/dbraw/zinc/80/81/70/1033808170.db2.gz LBJSGBDMBKOQKK-KRWDZBQOSA-N 1 0 322.543 3.615 20 10 DHCDRO COc1cc(Cl)cc(C[NH+]2CC(Cc3cccs3)C2)c1O ZINC000862539265 1033877615 /nfs/dbraw/zinc/87/76/15/1033877615.db2.gz JZOVAKSHUGTDRS-UHFFFAOYSA-N 1 0 323.845 3.790 20 10 DHCDRO CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)c(O)c1 ZINC000175982673 1034060506 /nfs/dbraw/zinc/06/05/06/1034060506.db2.gz ZFRGHLJUKQPZHA-UHFFFAOYSA-N 1 0 320.458 3.971 20 10 DHCDRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649059 1034070306 /nfs/dbraw/zinc/07/03/06/1034070306.db2.gz KTGGKXBQVIAUDF-CABCVRRESA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000879649628 1034070596 /nfs/dbraw/zinc/07/05/96/1034070596.db2.gz ZUANFJGSHKGELZ-QLJPJBMISA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccccc3O)cc(=O)oc2c1C ZINC000879651515 1034073465 /nfs/dbraw/zinc/07/34/65/1034073465.db2.gz ZDDXRIFYXVXFJS-AWEZNQCLSA-N 1 0 323.392 3.966 20 10 DHCDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651951 1034073773 /nfs/dbraw/zinc/07/37/73/1034073773.db2.gz QRTVMMGPJWWXRT-QWHCGFSZSA-N 1 0 316.376 3.518 20 10 DHCDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000879651954 1034075864 /nfs/dbraw/zinc/07/58/64/1034075864.db2.gz QTXJJACFGILQQK-LSDHHAIUSA-N 1 0 312.413 3.687 20 10 DHCDRO CC(C)OCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000119484460 1034111989 /nfs/dbraw/zinc/11/19/89/1034111989.db2.gz HPXAPQIWPHAEOB-UHFFFAOYSA-N 1 0 303.402 3.803 20 10 DHCDRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000119683024 1034215610 /nfs/dbraw/zinc/21/56/10/1034215610.db2.gz WJTFOXYVUKUQQC-SFHVURJKSA-N 1 0 324.468 3.725 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000178424033 1034233714 /nfs/dbraw/zinc/23/37/14/1034233714.db2.gz DMKOJLVIIIXPFI-IAGOWNOFSA-N 1 0 302.462 3.754 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000178424022 1034235714 /nfs/dbraw/zinc/23/57/14/1034235714.db2.gz DMKOJLVIIIXPFI-DLBZAZTESA-N 1 0 302.462 3.754 20 10 DHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4occc4c3)cc2)CC1 ZINC000864017420 1034255075 /nfs/dbraw/zinc/25/50/75/1034255075.db2.gz JYPYENJWHOUMNW-UHFFFAOYSA-N 1 0 321.424 3.797 20 10 DHCDRO [NH3+]Cc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000178807144 1034268070 /nfs/dbraw/zinc/26/80/70/1034268070.db2.gz SIZZUAAPEJTFTA-UHFFFAOYSA-N 1 0 323.440 3.778 20 10 DHCDRO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000179491314 1034312760 /nfs/dbraw/zinc/31/27/60/1034312760.db2.gz KFRVPQNBBAMJCG-UHFFFAOYSA-N 1 0 300.450 3.552 20 10 DHCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(F)(F)CC3)c2c1 ZINC000794687960 1034347797 /nfs/dbraw/zinc/34/77/97/1034347797.db2.gz JUFQOKJQPYZDPT-UHFFFAOYSA-N 1 0 307.340 3.785 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000183331115 1034374198 /nfs/dbraw/zinc/37/41/98/1034374198.db2.gz PXRNJFJTXHYEOH-RDJZCZTQSA-N 1 0 305.805 3.820 20 10 DHCDRO COc1cc(C)c(C[N@H+](C)Cc2cc(C)ccc2O)cc1OC ZINC000120105578 1034383948 /nfs/dbraw/zinc/38/39/48/1034383948.db2.gz UZFPSGXSGPHRQJ-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183534853 1034396052 /nfs/dbraw/zinc/39/60/52/1034396052.db2.gz BVEUTFKGSPPDKY-KGLIPLIRSA-N 1 0 301.386 3.519 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000183632514 1034408325 /nfs/dbraw/zinc/40/83/25/1034408325.db2.gz NZDBIKWUVQLIGW-HWPZZCPQSA-N 1 0 309.768 3.569 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000183645282 1034408587 /nfs/dbraw/zinc/40/85/87/1034408587.db2.gz ZXMKSIFNKLWKRO-XNAIMREJSA-N 1 0 319.351 3.851 20 10 DHCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000183679084 1034411099 /nfs/dbraw/zinc/41/10/99/1034411099.db2.gz JAULPZIXBVQXNG-LLVKDONJSA-N 1 0 321.218 3.743 20 10 DHCDRO CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(C)cc1O ZINC000794801892 1034472269 /nfs/dbraw/zinc/47/22/69/1034472269.db2.gz LMRQCWHTWHIANJ-INIZCTEOSA-N 1 0 301.434 3.794 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(C)cc1O ZINC000794808388 1034497567 /nfs/dbraw/zinc/49/75/67/1034497567.db2.gz ASFLLGPCQGDFKC-ZYSHUDEJSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000184918549 1034511655 /nfs/dbraw/zinc/51/16/55/1034511655.db2.gz HYVRLZVELMXIKO-QLJPJBMISA-N 1 0 309.768 3.569 20 10 DHCDRO Cc1csc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000184954795 1034516154 /nfs/dbraw/zinc/51/61/54/1034516154.db2.gz FKRNMJMZYQDTSV-GFCCVEGCSA-N 1 0 302.443 3.887 20 10 DHCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000185002103 1034518013 /nfs/dbraw/zinc/51/80/13/1034518013.db2.gz QUOUMHNBAZCFCK-OLZOCXBDSA-N 1 0 313.445 3.725 20 10 DHCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184978794 1034518620 /nfs/dbraw/zinc/51/86/20/1034518620.db2.gz QLIZZMATUVYCKP-CQSZACIVSA-N 1 0 313.445 3.586 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000185019594 1034522645 /nfs/dbraw/zinc/52/26/45/1034522645.db2.gz RCJQKTQIJOQWHG-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(C)cc1O ZINC000794817217 1034533818 /nfs/dbraw/zinc/53/38/18/1034533818.db2.gz NWTAAQXMSIIXAQ-RDJZCZTQSA-N 1 0 305.462 3.930 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000794817790 1034538228 /nfs/dbraw/zinc/53/82/28/1034538228.db2.gz QVGQXJASVMBYLL-NVXWUHKLSA-N 1 0 321.367 3.753 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1O ZINC000185312661 1034540322 /nfs/dbraw/zinc/54/03/22/1034540322.db2.gz JFFIUNDREUQBKU-SJCJKPOMSA-N 1 0 305.805 3.604 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000185383021 1034546291 /nfs/dbraw/zinc/54/62/91/1034546291.db2.gz VQMRMQDKXIPPLI-LBPRGKRZSA-N 1 0 319.376 3.789 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000185383300 1034546850 /nfs/dbraw/zinc/54/68/50/1034546850.db2.gz XHSPIBVLHYLVJS-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1O ZINC000185532983 1034556325 /nfs/dbraw/zinc/55/63/25/1034556325.db2.gz BESNNKIMONORGB-CXAGYDPISA-N 1 0 303.377 3.696 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000185737534 1034570335 /nfs/dbraw/zinc/57/03/35/1034570335.db2.gz LDELSVLKMRDOPY-JFIYKMOQSA-N 1 0 313.441 3.906 20 10 DHCDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185838961 1034576896 /nfs/dbraw/zinc/57/68/96/1034576896.db2.gz HXVYSFSTMKQRHR-PZROIBLQSA-N 1 0 321.367 3.833 20 10 DHCDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185839018 1034577283 /nfs/dbraw/zinc/57/72/83/1034577283.db2.gz HXVYSFSTMKQRHR-FTLABTOESA-N 1 0 321.367 3.833 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000186196624 1034607922 /nfs/dbraw/zinc/60/79/22/1034607922.db2.gz RCSAZIDYVXNQMW-APPDUMDISA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000186199136 1034610555 /nfs/dbraw/zinc/61/05/55/1034610555.db2.gz QRESQSDNKGCHEC-LBPRGKRZSA-N 1 0 322.355 3.590 20 10 DHCDRO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1O ZINC000186284804 1034616809 /nfs/dbraw/zinc/61/68/09/1034616809.db2.gz XMBZCQGGOKZXGK-UHFFFAOYSA-N 1 0 313.397 3.669 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2nc(C)cs2)c1 ZINC000186565917 1034643749 /nfs/dbraw/zinc/64/37/49/1034643749.db2.gz ZJGXTCXVCJCKJD-JQWIXIFHSA-N 1 0 306.431 3.620 20 10 DHCDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000186774321 1034660727 /nfs/dbraw/zinc/66/07/27/1034660727.db2.gz FDSOIHGTGJBQKQ-OCCSQVGLSA-N 1 0 303.475 3.972 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000794841121 1034673924 /nfs/dbraw/zinc/67/39/24/1034673924.db2.gz LWLUQESLARVCDE-OAGGEKHMSA-N 1 0 320.452 3.749 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000187525074 1034712390 /nfs/dbraw/zinc/71/23/90/1034712390.db2.gz QUIONODBZSZJKP-UHFFFAOYSA-N 1 0 319.832 3.871 20 10 DHCDRO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001176176045 1035212635 /nfs/dbraw/zinc/21/26/35/1035212635.db2.gz OPFBXWOWTXRQJQ-FQEVSTJZSA-N 1 0 312.457 3.535 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)cc1C ZINC001177476189 1035371862 /nfs/dbraw/zinc/37/18/62/1035371862.db2.gz YXAQIHRHEYPHBL-AEFFLSMTSA-N 1 0 318.505 3.994 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2ccc(F)c(F)c2)ccc1OC ZINC001177487988 1035373384 /nfs/dbraw/zinc/37/33/84/1035373384.db2.gz ZKSOGWHZBUJGFJ-UHFFFAOYSA-N 1 0 321.367 3.800 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cc(F)cc(F)c2)cc1 ZINC001177612251 1035384424 /nfs/dbraw/zinc/38/44/24/1035384424.db2.gz TVZHWPPZRCQQQJ-ARJAWSKDSA-N 1 0 316.395 3.876 20 10 DHCDRO CCOc1ccc(CNc2ccc(C(C)(C)[NH3+])cc2)c(O)c1 ZINC000904470868 1035418694 /nfs/dbraw/zinc/41/86/94/1035418694.db2.gz SGULKIUMNGGPFN-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO Cc1c2ccccc2n(C)c1CNc1c[nH+]ccc1-n1cccn1 ZINC001178310864 1035423195 /nfs/dbraw/zinc/42/31/95/1035423195.db2.gz LXFGFZDEAKHWAJ-UHFFFAOYSA-N 1 0 317.396 3.680 20 10 DHCDRO CCc1nc(CN(C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773748995 1035433562 /nfs/dbraw/zinc/43/35/62/1035433562.db2.gz IHZQJARJZBVFLG-UHFFFAOYSA-N 1 0 303.475 3.794 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000773766727 1035442587 /nfs/dbraw/zinc/44/25/87/1035442587.db2.gz UXHKTCCFZNNQKD-IBGZPJMESA-N 1 0 312.461 3.522 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1 ZINC001179364725 1035475769 /nfs/dbraw/zinc/47/57/69/1035475769.db2.gz AUIWLFDRQRSXAF-FQQSSWHASA-N 1 0 316.489 3.951 20 10 DHCDRO COc1cc(C[NH2+]Cc2cc(C)ccn2)c(O)c(C(C)(C)C)c1 ZINC001179479779 1035479945 /nfs/dbraw/zinc/47/99/45/1035479945.db2.gz UTRAEDFWDKCRRR-UHFFFAOYSA-N 1 0 314.429 3.692 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1Cn1cccn1 ZINC001179602592 1035485078 /nfs/dbraw/zinc/48/50/78/1035485078.db2.gz BSFWOYOHBZCDEG-OAHLLOKOSA-N 1 0 315.461 3.712 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1 ZINC001179690180 1035489907 /nfs/dbraw/zinc/48/99/07/1035489907.db2.gz BDRXOTVZKRGEEZ-HKUYNNGSSA-N 1 0 304.478 3.564 20 10 DHCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC001179673482 1035491834 /nfs/dbraw/zinc/49/18/34/1035491834.db2.gz FUVQLQGEATYRHG-HXUWFJFHSA-N 1 0 316.489 3.708 20 10 DHCDRO CCCOc1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1C ZINC001179740308 1035495852 /nfs/dbraw/zinc/49/58/52/1035495852.db2.gz LFAFGBXAQPMFFU-PKOBYXMFSA-N 1 0 315.457 3.833 20 10 DHCDRO Cc1cc(CN2CCC([NH+]3CCCCC3)CC2)ccc1N(C)C ZINC000815018194 1035498851 /nfs/dbraw/zinc/49/88/51/1035498851.db2.gz IYERKWLEQLNFMP-UHFFFAOYSA-N 1 0 315.505 3.511 20 10 DHCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000773834826 1035517158 /nfs/dbraw/zinc/51/71/58/1035517158.db2.gz UWEBRGAZIYMYTC-AWEZNQCLSA-N 1 0 313.401 3.902 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000773837049 1035520251 /nfs/dbraw/zinc/52/02/51/1035520251.db2.gz XXNANYVLFXIWCJ-LJQANCHMSA-N 1 0 302.462 3.534 20 10 DHCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C)cc1O ZINC001179862757 1035521358 /nfs/dbraw/zinc/52/13/58/1035521358.db2.gz COROHNCETTYHJJ-UHFFFAOYSA-N 1 0 305.805 3.995 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC001179965892 1035562257 /nfs/dbraw/zinc/56/22/57/1035562257.db2.gz BYSHJKRWPUMKIZ-MRXNPFEDSA-N 1 0 313.445 3.629 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCC(C)(C)O2)C2CC2)cc1 ZINC000775572908 1035571018 /nfs/dbraw/zinc/57/10/18/1035571018.db2.gz UXVFTQGEWKKSQN-GOSISDBHSA-N 1 0 302.462 3.675 20 10 DHCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001180077782 1035587336 /nfs/dbraw/zinc/58/73/36/1035587336.db2.gz VJAISQNBKQOBMC-KRWDZBQOSA-N 1 0 311.425 3.774 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1c(C)noc1C ZINC000773838859 1035597842 /nfs/dbraw/zinc/59/78/42/1035597842.db2.gz NKPFVUILRJQREW-QGZVFWFLSA-N 1 0 301.434 3.988 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC001180185184 1035608053 /nfs/dbraw/zinc/60/80/53/1035608053.db2.gz XSWXMOJUVSOHJD-POHAHGRESA-N 1 0 324.468 3.650 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000773842114 1035624912 /nfs/dbraw/zinc/62/49/12/1035624912.db2.gz UWLUSEOLEKJJMS-AWEZNQCLSA-N 1 0 303.475 3.835 20 10 DHCDRO C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001180359947 1035655046 /nfs/dbraw/zinc/65/50/46/1035655046.db2.gz ZFCFBQARCLSLGW-PKOBYXMFSA-N 1 0 316.489 3.781 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)o1 ZINC001180480090 1035682022 /nfs/dbraw/zinc/68/20/22/1035682022.db2.gz WSRABNDIKXPLBX-UHFFFAOYSA-N 1 0 302.418 3.766 20 10 DHCDRO CNc1ccccc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001180558913 1035718486 /nfs/dbraw/zinc/71/84/86/1035718486.db2.gz ZNXIDWBAUBSLIB-UHFFFAOYSA-N 1 0 309.457 3.959 20 10 DHCDRO Oc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(O)c1 ZINC001204276779 1035739041 /nfs/dbraw/zinc/73/90/41/1035739041.db2.gz RDCDSNPVXSXSQU-UHFFFAOYSA-N 1 0 307.393 3.658 20 10 DHCDRO CC(C)c1ccc(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC001182109122 1036097242 /nfs/dbraw/zinc/09/72/42/1036097242.db2.gz JDNZUQFWVCNVLM-LJQANCHMSA-N 1 0 313.441 3.551 20 10 DHCDRO C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774110586 1036172193 /nfs/dbraw/zinc/17/21/93/1036172193.db2.gz DMQDNXIXKFSSRO-LLVKDONJSA-N 1 0 317.260 3.836 20 10 DHCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nccn21 ZINC000775650915 1036227001 /nfs/dbraw/zinc/22/70/01/1036227001.db2.gz HSWQIWFIEVQSFV-UHFFFAOYSA-N 1 0 322.456 3.811 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000775652947 1036244540 /nfs/dbraw/zinc/24/45/40/1036244540.db2.gz WPNQEDDSQXVXLP-SFHVURJKSA-N 1 0 311.425 3.998 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266925 1036265941 /nfs/dbraw/zinc/26/59/41/1036265941.db2.gz SKJDMZFGFXVMSL-JGVFFNPUSA-N 1 0 300.189 3.834 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)cn1 ZINC000192945065 1036276101 /nfs/dbraw/zinc/27/61/01/1036276101.db2.gz PUDJBEDUUYCRAC-ZDUSSCGKSA-N 1 0 308.381 3.800 20 10 DHCDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775665548 1036294040 /nfs/dbraw/zinc/29/40/40/1036294040.db2.gz FZANJDZFZJWRSG-GOSISDBHSA-N 1 0 311.425 3.916 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1O ZINC000775669106 1036321442 /nfs/dbraw/zinc/32/14/42/1036321442.db2.gz FIIGROWJQVICEZ-UYAOXDASSA-N 1 0 311.425 3.789 20 10 DHCDRO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774473384 1036354759 /nfs/dbraw/zinc/35/47/59/1036354759.db2.gz BCVDDZIKCQJOMY-HNNXBMFYSA-N 1 0 320.477 3.915 20 10 DHCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000774486028 1036356468 /nfs/dbraw/zinc/35/64/68/1036356468.db2.gz UPIGDTBFCDCQPR-MJEQTWJJSA-N 1 0 315.388 3.711 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC001182684547 1036422831 /nfs/dbraw/zinc/42/28/31/1036422831.db2.gz NDYSLAPMBUZUGA-MGPUTAFESA-N 1 0 313.441 3.901 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000775717002 1036535743 /nfs/dbraw/zinc/53/57/43/1036535743.db2.gz LBJURYQRKNPXIJ-QGZVFWFLSA-N 1 0 309.837 3.747 20 10 DHCDRO COc1cc(O)c(C[N@@H+]2CCCC23CCCCC3)cc1OC ZINC000775726424 1036567737 /nfs/dbraw/zinc/56/77/37/1036567737.db2.gz UMNDKISELRUAHF-UHFFFAOYSA-N 1 0 305.418 3.708 20 10 DHCDRO Cc1cc(C[NH+]2CCC3(CC3)CC2)c(O)cc1Br ZINC001250121033 1036638870 /nfs/dbraw/zinc/63/88/70/1036638870.db2.gz ZSAZPEFVQBICHN-UHFFFAOYSA-N 1 0 310.235 3.839 20 10 DHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC001197004492 1036667689 /nfs/dbraw/zinc/66/76/89/1036667689.db2.gz UFNAMNXKXUGTTO-SNVBAGLBSA-N 1 0 319.788 3.805 20 10 DHCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)oc1C ZINC000282099932 1036796727 /nfs/dbraw/zinc/79/67/27/1036796727.db2.gz IPOXMXPCMNKEBZ-HNNXBMFYSA-N 1 0 314.429 3.584 20 10 DHCDRO CCc1ccc2c(c1)C[N@@H+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001184417369 1036841376 /nfs/dbraw/zinc/84/13/76/1036841376.db2.gz CBGJXEIANIYHDP-UHFFFAOYSA-N 1 0 311.425 3.830 20 10 DHCDRO CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000155755739 1036850276 /nfs/dbraw/zinc/85/02/76/1036850276.db2.gz HPQXFFQGPCHVDF-ICSRJNTNSA-N 1 0 311.425 3.657 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1F ZINC000774830988 1037042330 /nfs/dbraw/zinc/04/23/30/1037042330.db2.gz ROQOTENNYNPIHH-CRAIPNDOSA-N 1 0 308.441 3.577 20 10 DHCDRO CC(C)Oc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001199021550 1037177907 /nfs/dbraw/zinc/17/79/07/1037177907.db2.gz LDFDAKDAXFBLEH-UHFFFAOYSA-N 1 0 311.425 3.741 20 10 DHCDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199274889 1037223702 /nfs/dbraw/zinc/22/37/02/1037223702.db2.gz AADVYFXWKXAQNI-ASZUZNPLSA-N 1 0 316.489 3.951 20 10 DHCDRO Cc1cc(C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001199498933 1037272398 /nfs/dbraw/zinc/27/23/98/1037272398.db2.gz WNOYFCHUMUWJPO-UHFFFAOYSA-N 1 0 309.457 3.667 20 10 DHCDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776013174 1037298536 /nfs/dbraw/zinc/29/85/36/1037298536.db2.gz LAINGGNPSGNZGW-DOMZBBRYSA-N 1 0 300.368 3.915 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000776008587 1037306287 /nfs/dbraw/zinc/30/62/87/1037306287.db2.gz MUWRKORTOGCBFC-UHFFFAOYSA-N 1 0 309.837 3.747 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000776011839 1037307755 /nfs/dbraw/zinc/30/77/55/1037307755.db2.gz BQKUTLYUACEXBR-RISCZKNCSA-N 1 0 317.351 3.954 20 10 DHCDRO COc1cc(C[NH2+]CCOCCC(C)C)c(O)c(C(C)(C)C)c1 ZINC001199830732 1037348594 /nfs/dbraw/zinc/34/85/94/1037348594.db2.gz RGVJFKKWKDXHOE-UHFFFAOYSA-N 1 0 323.477 3.851 20 10 DHCDRO Cc1cc(CC[NH2+]Cc2ccncc2)c(C)n1-c1ccccc1 ZINC000761570578 1037375814 /nfs/dbraw/zinc/37/58/14/1037375814.db2.gz AEGDCSFIPWFIPD-UHFFFAOYSA-N 1 0 305.425 3.821 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000776070929 1037409340 /nfs/dbraw/zinc/40/93/40/1037409340.db2.gz STUOZGZLDFRDIA-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1F ZINC001200971317 1037479213 /nfs/dbraw/zinc/47/92/13/1037479213.db2.gz JYQFDKJMFGPDLT-SUMDDJOVSA-N 1 0 320.452 3.719 20 10 DHCDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000776168478 1037672539 /nfs/dbraw/zinc/67/25/39/1037672539.db2.gz OYGVYENOBOCMDC-JKSUJKDBSA-N 1 0 304.478 3.592 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000776173947 1037679188 /nfs/dbraw/zinc/67/91/88/1037679188.db2.gz FACHWWJHRNQHRA-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO CCOc1ncccc1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000151197055 1037759970 /nfs/dbraw/zinc/75/99/70/1037759970.db2.gz OFANUBOISZFVOP-SFHVURJKSA-N 1 0 313.445 3.787 20 10 DHCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCc2ccccc2)C1 ZINC001201603775 1037806655 /nfs/dbraw/zinc/80/66/55/1037806655.db2.gz RIORNIUYDOVZPS-UHFFFAOYSA-N 1 0 320.436 3.788 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000776222455 1037924639 /nfs/dbraw/zinc/92/46/39/1037924639.db2.gz LUNGZVFXJYJBNQ-GOSISDBHSA-N 1 0 315.438 3.521 20 10 DHCDRO CN(C)c1ccc(CNc2cccc(C[NH+](C)C)c2)cc1F ZINC000156539643 1038043061 /nfs/dbraw/zinc/04/30/61/1038043061.db2.gz HJTAUJFNJFYQPK-UHFFFAOYSA-N 1 0 301.409 3.565 20 10 DHCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000776251451 1038069827 /nfs/dbraw/zinc/06/98/27/1038069827.db2.gz YKXZJYFRLNPROT-UHFFFAOYSA-N 1 0 307.752 3.505 20 10 DHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000164519511 1038204524 /nfs/dbraw/zinc/20/45/24/1038204524.db2.gz NNGGTWXODICKPM-KRWDZBQOSA-N 1 0 312.413 3.750 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000775365801 1038279978 /nfs/dbraw/zinc/27/99/78/1038279978.db2.gz XSDVKZHKLIRAMW-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000775365808 1038280290 /nfs/dbraw/zinc/28/02/90/1038280290.db2.gz XSHDCDGJHWWQQP-OAHLLOKOSA-N 1 0 308.425 3.879 20 10 DHCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@H]1O ZINC001190436888 1038315869 /nfs/dbraw/zinc/31/58/69/1038315869.db2.gz NIQOAEUWZRVWCP-PKOBYXMFSA-N 1 0 304.478 3.514 20 10 DHCDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001191908509 1038560643 /nfs/dbraw/zinc/56/06/43/1038560643.db2.gz CAVOVQBBAICMGV-FQEVSTJZSA-N 1 0 316.489 3.924 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000775492221 1038565145 /nfs/dbraw/zinc/56/51/45/1038565145.db2.gz NPBKGVQORCLVPD-RDJZCZTQSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000775492217 1038565736 /nfs/dbraw/zinc/56/57/36/1038565736.db2.gz NPBKGVQORCLVPD-DOTOQJQBSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000775492224 1038566433 /nfs/dbraw/zinc/56/64/33/1038566433.db2.gz NPBKGVQORCLVPD-WBVHZDCISA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000775492772 1038571319 /nfs/dbraw/zinc/57/13/19/1038571319.db2.gz QWRQEWAGFZDDGS-HUUCEWRRSA-N 1 0 319.836 3.897 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1O ZINC000775492773 1038572235 /nfs/dbraw/zinc/57/22/35/1038572235.db2.gz QWRQEWAGFZDDGS-LSDHHAIUSA-N 1 0 319.836 3.897 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1O ZINC000775493363 1038578685 /nfs/dbraw/zinc/57/86/85/1038578685.db2.gz YWXILCPHDADFBJ-HNNXBMFYSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1O ZINC000775513860 1038608582 /nfs/dbraw/zinc/60/85/82/1038608582.db2.gz VJLHLNOWLZVHHJ-KNXALSJPSA-N 1 0 308.853 3.569 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000775555220 1038711555 /nfs/dbraw/zinc/71/15/55/1038711555.db2.gz UHSULFRQAZBIMO-UONOGXRCSA-N 1 0 311.834 3.881 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000157610961 1039078162 /nfs/dbraw/zinc/07/81/62/1039078162.db2.gz OSKDIOSGNDMSOB-LIRRHRJNSA-N 1 0 316.420 3.666 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C2(CC)CCOCC2)cc1F ZINC000761338279 1039135717 /nfs/dbraw/zinc/13/57/17/1039135717.db2.gz QRKSAMUNHBKUQP-UHFFFAOYSA-N 1 0 308.441 3.721 20 10 DHCDRO CC[C@@H]([NH2+]CCOC(C)C)c1cc(Br)ccc1O ZINC000157983143 1039745446 /nfs/dbraw/zinc/74/54/46/1039745446.db2.gz HYESJQKQNNNBQW-CYBMUJFWSA-N 1 0 316.239 3.620 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158094745 1039942816 /nfs/dbraw/zinc/94/28/16/1039942816.db2.gz BXVWGSBEIQNPFN-JKSUJKDBSA-N 1 0 318.436 3.669 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158094592 1039943413 /nfs/dbraw/zinc/94/34/13/1039943413.db2.gz BXVWGSBEIQNPFN-CVEARBPZSA-N 1 0 318.436 3.669 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]Cc2c(C)cccc2F)c1O ZINC000761208269 1040605110 /nfs/dbraw/zinc/60/51/10/1040605110.db2.gz XRKAIVCWVATKLS-UHFFFAOYSA-N 1 0 309.768 3.792 20 10 DHCDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371146 1040605845 /nfs/dbraw/zinc/60/58/45/1040605845.db2.gz SJBNZULRHMIMCQ-YVEFUNNKSA-N 1 0 304.821 3.788 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000761226530 1040823268 /nfs/dbraw/zinc/82/32/68/1040823268.db2.gz RAORHBYMBVWBJF-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO CC[NH+](CC)Cc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000236931331 202077139 /nfs/dbraw/zinc/07/71/39/202077139.db2.gz NCCOGGKCFSYOHU-UHFFFAOYSA-N 1 0 314.429 3.855 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000091891420 193123696 /nfs/dbraw/zinc/12/36/96/193123696.db2.gz UOMRTWQXMMFPHH-WBVHZDCISA-N 1 0 317.454 3.850 20 10 DHCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000092223781 193176738 /nfs/dbraw/zinc/17/67/38/193176738.db2.gz PYFDGRWIGYGCLD-QGZVFWFLSA-N 1 0 316.376 3.712 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1O ZINC000093275462 193224024 /nfs/dbraw/zinc/22/40/24/193224024.db2.gz HLMUOKKSPWRYDT-NSHDSACASA-N 1 0 306.431 3.667 20 10 DHCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273373657 130113039 /nfs/dbraw/zinc/11/30/39/130113039.db2.gz GRSQPGJUMMJNAA-AWEZNQCLSA-N 1 0 315.413 3.877 20 10 DHCDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000273443568 130121983 /nfs/dbraw/zinc/12/19/83/130121983.db2.gz DRTDSACVCZQMSL-GFCCVEGCSA-N 1 0 311.385 3.520 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1C ZINC000273449312 130123530 /nfs/dbraw/zinc/12/35/30/130123530.db2.gz FSTCXVMMTOIDIG-IQUTYRLHSA-N 1 0 317.404 3.921 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000273537037 130133516 /nfs/dbraw/zinc/13/35/16/130133516.db2.gz XQHRVAJHUJVBQK-HUUCEWRRSA-N 1 0 321.486 3.796 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c(O)c1C ZINC000273558543 130136311 /nfs/dbraw/zinc/13/63/11/130136311.db2.gz HMVFTOZYMAXFMQ-PWSUYJOCSA-N 1 0 305.340 3.627 20 10 DHCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273562971 130136854 /nfs/dbraw/zinc/13/68/54/130136854.db2.gz IQRTYSWUSNFPOL-CYBMUJFWSA-N 1 0 302.418 3.973 20 10 DHCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273563043 130137438 /nfs/dbraw/zinc/13/74/38/130137438.db2.gz ISEUGNVRSCYXPA-SWLSCSKDSA-N 1 0 301.434 3.501 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c(O)c1C ZINC000273567992 130139313 /nfs/dbraw/zinc/13/93/13/130139313.db2.gz KBGQGEGBFCIWHA-OAHLLOKOSA-N 1 0 309.413 3.816 20 10 DHCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2O)o1 ZINC000273591951 130141976 /nfs/dbraw/zinc/14/19/76/130141976.db2.gz PNMUSEUQCYDHKO-SUMWQHHRSA-N 1 0 311.381 3.831 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)cc1O ZINC000273605166 130143328 /nfs/dbraw/zinc/14/33/28/130143328.db2.gz TWWJIJCHXIGRMF-KOLCDFICSA-N 1 0 316.264 3.701 20 10 DHCDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273618460 130145692 /nfs/dbraw/zinc/14/56/92/130145692.db2.gz YJIFWPWHGBHVID-IUCAKERBSA-N 1 0 311.731 3.664 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000274874672 130268714 /nfs/dbraw/zinc/26/87/14/130268714.db2.gz GJDORPNELJBBIJ-CVEARBPZSA-N 1 0 304.459 3.797 20 10 DHCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1O ZINC000280708122 130814323 /nfs/dbraw/zinc/81/43/23/130814323.db2.gz TWAKEHJIRWPIFL-KOMQPUFPSA-N 1 0 301.361 3.576 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1O ZINC000284327073 131070679 /nfs/dbraw/zinc/07/06/79/131070679.db2.gz KLCPNUFYTDOOPP-CYBMUJFWSA-N 1 0 308.328 3.630 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c(O)c1 ZINC000284361156 131073034 /nfs/dbraw/zinc/07/30/34/131073034.db2.gz MZJFTFYTUVINFA-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000285407184 131165834 /nfs/dbraw/zinc/16/58/34/131165834.db2.gz XMNIHOPMZZZXGR-NSHDSACASA-N 1 0 323.330 3.577 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000285571700 131182670 /nfs/dbraw/zinc/18/26/70/131182670.db2.gz UHIOOLBSMYHNOF-LLVKDONJSA-N 1 0 322.355 3.705 20 10 DHCDRO COc1cc(Cl)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289331198 131375241 /nfs/dbraw/zinc/37/52/41/131375241.db2.gz GVSCGIWYUPWFQR-AWEZNQCLSA-N 1 0 321.808 3.505 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)CC2 ZINC000297355694 132012138 /nfs/dbraw/zinc/01/21/38/132012138.db2.gz PLCMAONXKCOBKB-CYBMUJFWSA-N 1 0 322.330 3.626 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000294887957 335128554 /nfs/dbraw/zinc/12/85/54/335128554.db2.gz WGQUGQDZJHPFAH-UHFFFAOYSA-N 1 0 320.820 3.517 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119701213 333256895 /nfs/dbraw/zinc/25/68/95/333256895.db2.gz DNHRTZVSIAWRCI-NWDGAFQWSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3occc32)c1O ZINC000184706081 333365460 /nfs/dbraw/zinc/36/54/60/333365460.db2.gz OYRIUNFQLGBTOG-ZDUSSCGKSA-N 1 0 307.777 3.814 20 10 DHCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185605755 333370435 /nfs/dbraw/zinc/37/04/35/333370435.db2.gz OXZNEEIXSDTLSY-HUUCEWRRSA-N 1 0 301.430 3.995 20 10 DHCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000296554415 335146166 /nfs/dbraw/zinc/14/61/66/335146166.db2.gz RSESZWHZQYIYBW-SJORKVTESA-N 1 0 304.478 3.736 20 10 DHCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297129017 335149331 /nfs/dbraw/zinc/14/93/31/335149331.db2.gz YVOIFTFPXHYNKB-ZLDLUXBVSA-N 1 0 303.427 3.543 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1[O-] ZINC000282803704 334137403 /nfs/dbraw/zinc/13/74/03/334137403.db2.gz QYQJXEJZGNLRQB-RISCZKNCSA-N 1 0 311.372 3.670 20 10 DHCDRO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000286847337 334154798 /nfs/dbraw/zinc/15/47/98/334154798.db2.gz AEBFXUYNKFTDJA-KRWDZBQOSA-N 1 0 322.880 3.961 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000355111724 336495067 /nfs/dbraw/zinc/49/50/67/336495067.db2.gz HVRPSQDMXFQHKQ-UHFFFAOYSA-N 1 0 322.408 3.548 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000367437862 336822699 /nfs/dbraw/zinc/82/26/99/336822699.db2.gz KAQMHFHTCIJZLX-OAHLLOKOSA-N 1 0 312.461 3.526 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367608595 336826575 /nfs/dbraw/zinc/82/65/75/336826575.db2.gz SAIVAKULKYKDEX-CQSZACIVSA-N 1 0 312.413 3.568 20 10 DHCDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)s1 ZINC000368740873 336851517 /nfs/dbraw/zinc/85/15/17/336851517.db2.gz PTSVMCYPTNLOIL-GFCCVEGCSA-N 1 0 315.486 3.857 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1O ZINC000369652110 336869117 /nfs/dbraw/zinc/86/91/17/336869117.db2.gz BZGNXBDQBZSKCZ-DLBZAZTESA-N 1 0 310.441 3.959 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)c1O ZINC000370020187 336876069 /nfs/dbraw/zinc/87/60/69/336876069.db2.gz MVOUMFZHMZLIHN-CXAGYDPISA-N 1 0 317.816 3.665 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000370222938 336880048 /nfs/dbraw/zinc/88/00/48/336880048.db2.gz PDZQPBNGVHFXLG-WMZOPIPTSA-N 1 0 303.446 3.982 20 10 DHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000371337146 336901021 /nfs/dbraw/zinc/90/10/21/336901021.db2.gz SNNVWYWQAWCVEG-UHFFFAOYSA-N 1 0 307.397 3.648 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000371869301 336915215 /nfs/dbraw/zinc/91/52/15/336915215.db2.gz GCHYDGJDBBQCNR-ZBEGNZNMSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000375243241 337006484 /nfs/dbraw/zinc/00/64/84/337006484.db2.gz VWZARFYSHDYZNC-BONVTDFDSA-N 1 0 319.788 3.839 20 10 DHCDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406253 337072003 /nfs/dbraw/zinc/07/20/03/337072003.db2.gz UPSCRCBYJBDWNV-YWZLYKJASA-N 1 0 309.457 3.590 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406247 337072025 /nfs/dbraw/zinc/07/20/25/337072025.db2.gz UPSCRCBYJBDWNV-FOIQADDNSA-N 1 0 309.457 3.590 20 10 DHCDRO Cc1c([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)cnn1C ZINC000378446478 337072913 /nfs/dbraw/zinc/07/29/13/337072913.db2.gz YXVYRYVFVYJQTP-INIZCTEOSA-N 1 0 319.836 3.733 20 10 DHCDRO COc1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1O ZINC000360078042 337085158 /nfs/dbraw/zinc/08/51/58/337085158.db2.gz FVFAENXZIHATOS-QGZVFWFLSA-N 1 0 315.438 3.691 20 10 DHCDRO CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1ccccc1O ZINC000177676300 337158406 /nfs/dbraw/zinc/15/84/06/337158406.db2.gz HCPKFJBGNKLTEB-UHFFFAOYSA-N 1 0 312.344 3.818 20 10 DHCDRO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000183617611 337193740 /nfs/dbraw/zinc/19/37/40/337193740.db2.gz PWDXTNDOSJMQQF-GFCCVEGCSA-N 1 0 311.410 3.762 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(O)c1 ZINC000185125491 337203201 /nfs/dbraw/zinc/20/32/01/337203201.db2.gz OQYLZTLGOVYCAS-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185637189 337249805 /nfs/dbraw/zinc/24/98/05/337249805.db2.gz VDVFILKSRLIRAK-UHFFFAOYSA-N 1 0 317.816 3.529 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527772445 337762682 /nfs/dbraw/zinc/76/26/82/337762682.db2.gz MQPWSGQFXMFSKA-LJQANCHMSA-N 1 0 312.413 3.817 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)CC2 ZINC000527943285 337773591 /nfs/dbraw/zinc/77/35/91/337773591.db2.gz NRKVVBYHUVRJEC-VVWQDTPRSA-N 1 0 311.812 3.961 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2c(c1)OCCO2 ZINC000296048602 341715833 /nfs/dbraw/zinc/71/58/33/341715833.db2.gz RATVLKSJZNIMBU-DOMZBBRYSA-N 1 0 311.381 3.502 20 10 DHCDRO CCO[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000193436527 520522031 /nfs/dbraw/zinc/52/20/31/520522031.db2.gz XLTZVZIHOQXLGC-AUUYWEPGSA-N 1 0 315.413 3.829 20 10 DHCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000185009867 521007091 /nfs/dbraw/zinc/00/70/91/521007091.db2.gz LVHQQPCSFBGDRA-AWEZNQCLSA-N 1 0 315.413 3.959 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2cccc(CSC)c2)c1O ZINC000189485395 521367690 /nfs/dbraw/zinc/36/76/90/521367690.db2.gz YBDDPMNNKYPVMF-UHFFFAOYSA-N 1 0 317.454 3.944 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000270267661 521651289 /nfs/dbraw/zinc/65/12/89/521651289.db2.gz XDTXVAOCYAPYCZ-HNNXBMFYSA-N 1 0 300.450 3.887 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000270623968 522212883 /nfs/dbraw/zinc/21/28/83/522212883.db2.gz GDQZLTIEKIUFOM-YOEHRIQHSA-N 1 0 308.441 3.575 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000268982721 522612135 /nfs/dbraw/zinc/61/21/35/522612135.db2.gz DOJOBVJHEUSRMV-DLBZAZTESA-N 1 0 304.459 3.588 20 10 DHCDRO Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1O ZINC000367733162 524389853 /nfs/dbraw/zinc/38/98/53/524389853.db2.gz ZVBXWKFSUCQDMY-FQEVSTJZSA-N 1 0 311.425 3.646 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000180695801 524398038 /nfs/dbraw/zinc/39/80/38/524398038.db2.gz SDUUSYYHSNGAAM-HOTGVXAUSA-N 1 0 317.454 3.850 20 10 DHCDRO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183554696 524787316 /nfs/dbraw/zinc/78/73/16/524787316.db2.gz LKGBOXPXAFFPPR-LLVKDONJSA-N 1 0 323.339 3.853 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2O[C@@H]1C)c1cc(F)ccc1O ZINC000368484743 525639157 /nfs/dbraw/zinc/63/91/57/525639157.db2.gz ZEQKYLJKMPDMHV-YNHOBRIKSA-N 1 0 305.324 3.843 20 10 DHCDRO C[C@@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000185739080 525837030 /nfs/dbraw/zinc/83/70/30/525837030.db2.gz ZFFVSBSMLMTRBH-IJEWVQPXSA-N 1 0 317.404 3.737 20 10 DHCDRO CC(C)(C)c1csc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000297576176 535149088 /nfs/dbraw/zinc/14/90/88/535149088.db2.gz GWTJJQUBFZQZEE-GFCCVEGCSA-N 1 0 302.443 3.923 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1O ZINC000285567861 535459722 /nfs/dbraw/zinc/45/97/22/535459722.db2.gz TZOORMSZFLBPDM-UHFFFAOYSA-N 1 0 310.397 3.870 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000271495417 535765489 /nfs/dbraw/zinc/76/54/89/535765489.db2.gz LCCSZFIPLONJBM-DOTOQJQBSA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C)cc1O ZINC000280286015 535894372 /nfs/dbraw/zinc/89/43/72/535894372.db2.gz YVRWNVXCBULHCK-SFHVURJKSA-N 1 0 302.462 3.758 20 10 DHCDRO C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000293719584 536033399 /nfs/dbraw/zinc/03/33/99/536033399.db2.gz VKHCVHOMZDHKBT-UHFFFAOYSA-N 1 0 322.811 3.536 20 10 DHCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289309869 537022019 /nfs/dbraw/zinc/02/20/19/537022019.db2.gz SXKCXZGQHPQJAC-KRWDZBQOSA-N 1 0 314.404 3.677 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccc1O ZINC000155187492 1013276250 /nfs/dbraw/zinc/27/62/50/1013276250.db2.gz WEPMDKXNWWIALK-MRXNPFEDSA-N 1 0 300.402 3.815 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1ccccc1O ZINC000155224872 1013306308 /nfs/dbraw/zinc/30/63/08/1013306308.db2.gz GKNWKHPSQIXZSL-OAHLLOKOSA-N 1 0 301.386 3.650 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])o1 ZINC000894474724 1013382279 /nfs/dbraw/zinc/38/22/79/1013382279.db2.gz DZZCZIVRVZJTNF-HNNXBMFYSA-N 1 0 323.339 3.747 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CC(C)C)nc2)c1 ZINC000894503111 1013393743 /nfs/dbraw/zinc/39/37/43/1013393743.db2.gz WVLPKBGAKSGTKI-AWEZNQCLSA-N 1 0 314.429 3.845 20 10 DHCDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnc[nH]3)cc2Cl)C1 ZINC000894663733 1013445822 /nfs/dbraw/zinc/44/58/22/1013445822.db2.gz BFRLHKYGKOHYGX-ZDUSSCGKSA-N 1 0 318.852 3.589 20 10 DHCDRO Oc1ccccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000136959637 1013508537 /nfs/dbraw/zinc/50/85/37/1013508537.db2.gz NCYDYCXIYRANBV-RTWAWAEBSA-N 1 0 319.404 3.957 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC000155484490 1013852017 /nfs/dbraw/zinc/85/20/17/1013852017.db2.gz SFGRYSUHTZLHFY-MRXNPFEDSA-N 1 0 302.393 3.838 20 10 DHCDRO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2O)CCCC3)s1 ZINC000160495689 1014127965 /nfs/dbraw/zinc/12/79/65/1014127965.db2.gz GQARFUNVPWNXQM-UHFFFAOYSA-N 1 0 316.470 3.710 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000160553507 1014234423 /nfs/dbraw/zinc/23/44/23/1014234423.db2.gz JRRPQQJGADLHRX-AWEZNQCLSA-N 1 0 315.436 3.809 20 10 DHCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000060806896 1014351501 /nfs/dbraw/zinc/35/15/01/1014351501.db2.gz MMODTPMGQBLXGE-IBGZPJMESA-N 1 0 312.457 3.574 20 10 DHCDRO Cc1noc(C)c1CN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000046478226 1014440249 /nfs/dbraw/zinc/44/02/49/1014440249.db2.gz DGKNFERPIYZYBG-UHFFFAOYSA-N 1 0 318.417 3.632 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000706858337 1014656770 /nfs/dbraw/zinc/65/67/70/1014656770.db2.gz UGYWRAMDFGSGPU-GRYCIOLGSA-N 1 0 310.235 3.681 20 10 DHCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000276141522 1014716003 /nfs/dbraw/zinc/71/60/03/1014716003.db2.gz NMAAIOGYIREYSN-DCAQKATOSA-N 1 0 316.239 3.537 20 10 DHCDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000069628650 1014769678 /nfs/dbraw/zinc/76/96/78/1014769678.db2.gz BENWVKLCHSWNGF-WFASDCNBSA-N 1 0 302.393 3.898 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000121281501 1014984757 /nfs/dbraw/zinc/98/47/57/1014984757.db2.gz PTNZHDNHHPNLOE-QGZVFWFLSA-N 1 0 312.461 3.636 20 10 DHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c1O ZINC000895462201 1015166161 /nfs/dbraw/zinc/16/61/61/1015166161.db2.gz TXXVBFZODMGQPA-UHFFFAOYSA-N 1 0 303.402 3.890 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000895455314 1015168948 /nfs/dbraw/zinc/16/89/48/1015168948.db2.gz VIMKMSALVJMLKJ-OAHLLOKOSA-N 1 0 311.372 3.594 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895584949 1015211321 /nfs/dbraw/zinc/21/13/21/1015211321.db2.gz VZRKZDLZIAXIKL-HNNXBMFYSA-N 1 0 301.459 3.507 20 10 DHCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895580523 1015216593 /nfs/dbraw/zinc/21/65/93/1015216593.db2.gz BLOKHZOLUPQEBV-QDLOVBKTSA-N 1 0 313.470 3.712 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846534 1015332078 /nfs/dbraw/zinc/33/20/78/1015332078.db2.gz PWGMHKZRQGFHDH-ICSRJNTNSA-N 1 0 314.473 3.678 20 10 DHCDRO Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000896387723 1015567108 /nfs/dbraw/zinc/56/71/08/1015567108.db2.gz IQTVJEBWNGWHQW-UHFFFAOYSA-N 1 0 302.462 3.587 20 10 DHCDRO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000896393411 1015568982 /nfs/dbraw/zinc/56/89/82/1015568982.db2.gz WNOUUGMQRHOOLK-UHFFFAOYSA-N 1 0 322.880 3.932 20 10 DHCDRO CCC[N@H+](Cc1cn2ccnc2s1)Cc1ccccc1O ZINC000891853343 1015685138 /nfs/dbraw/zinc/68/51/38/1015685138.db2.gz JLRYKEGQSWPVST-UHFFFAOYSA-N 1 0 301.415 3.514 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)ccc1N(C)C ZINC000846923613 1032138330 /nfs/dbraw/zinc/13/83/30/1032138330.db2.gz RHVUKSKLFXUCFN-UHFFFAOYSA-N 1 0 307.441 3.745 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1O ZINC000184835242 1016388897 /nfs/dbraw/zinc/38/88/97/1016388897.db2.gz LTICMHLIEYOKGQ-PXAZEXFGSA-N 1 0 320.383 3.624 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(Br)cn1 ZINC000281199226 1016396954 /nfs/dbraw/zinc/39/69/54/1016396954.db2.gz RVLQJULTVODPOW-WDEREUQCSA-N 1 0 321.218 3.962 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c1 ZINC000184967768 1016468326 /nfs/dbraw/zinc/46/83/26/1016468326.db2.gz QWOUFQVSXQFPNJ-INIZCTEOSA-N 1 0 321.424 3.780 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000184962224 1016473048 /nfs/dbraw/zinc/47/30/48/1016473048.db2.gz VENXZTNELVIEKO-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)c(O)c1 ZINC000184987082 1016481144 /nfs/dbraw/zinc/48/11/44/1016481144.db2.gz IGSATQTYYFZQNB-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)ccc1O ZINC000185233942 1016775832 /nfs/dbraw/zinc/77/58/32/1016775832.db2.gz ATYBQXCSXNGXAH-ZDUSSCGKSA-N 1 0 314.404 3.765 20 10 DHCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)F)c1O ZINC000848551154 1016874485 /nfs/dbraw/zinc/87/44/85/1016874485.db2.gz FGMWPUQGBLTPGC-IUCAKERBSA-N 1 0 320.202 3.562 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc2c(cc1O)CCCC2 ZINC000185373318 1016882977 /nfs/dbraw/zinc/88/29/77/1016882977.db2.gz WJGRXAHZWDJWHD-AWEZNQCLSA-N 1 0 311.425 3.614 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000185457383 1016935676 /nfs/dbraw/zinc/93/56/76/1016935676.db2.gz PUPOSXCHYZPWTE-HOCLYGCPSA-N 1 0 314.404 3.851 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCS1 ZINC000896953183 1016957205 /nfs/dbraw/zinc/95/72/05/1016957205.db2.gz WBZMNMLUCQYUQW-JOYOIKCWSA-N 1 0 316.264 3.528 20 10 DHCDRO Oc1c(C[NH+]2CCC(O)(C3CCC3)CC2)ccc2ccccc21 ZINC000897037166 1017006385 /nfs/dbraw/zinc/00/63/85/1017006385.db2.gz UFQRDXJNODIVLL-UHFFFAOYSA-N 1 0 311.425 3.672 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)c1 ZINC000185555824 1017005026 /nfs/dbraw/zinc/00/50/26/1017005026.db2.gz ZRGFXVDZEHLXMN-OLZOCXBDSA-N 1 0 305.443 3.992 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1 ZINC000185572980 1017016976 /nfs/dbraw/zinc/01/69/76/1017016976.db2.gz RVGLTRXUJGYCCL-OLZOCXBDSA-N 1 0 319.376 3.658 20 10 DHCDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185578447 1017030204 /nfs/dbraw/zinc/03/02/04/1017030204.db2.gz JVWVIYZNTHRYAW-GJZGRUSLSA-N 1 0 315.413 3.827 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000897080256 1017041893 /nfs/dbraw/zinc/04/18/93/1017041893.db2.gz RSVDJOFWSFNCKD-MRXNPFEDSA-N 1 0 307.825 3.574 20 10 DHCDRO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000320530366 1017053889 /nfs/dbraw/zinc/05/38/89/1017053889.db2.gz PSFDLHDUHSJFCM-OAHLLOKOSA-N 1 0 313.445 3.786 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772968747 1032203790 /nfs/dbraw/zinc/20/37/90/1032203790.db2.gz ZSJMJHKSNGSKLL-ZOBUZTSGSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000237490608 1032291087 /nfs/dbraw/zinc/29/10/87/1032291087.db2.gz NJZDQMZRXYETQV-MRXNPFEDSA-N 1 0 324.468 3.886 20 10 DHCDRO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001171339761 1032447399 /nfs/dbraw/zinc/44/73/99/1032447399.db2.gz GNPOLEXWBMZTJI-INIZCTEOSA-N 1 0 315.363 3.547 20 10 DHCDRO Fc1cc(F)c2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001171339764 1032448191 /nfs/dbraw/zinc/44/81/91/1032448191.db2.gz GNPOLEXWBMZTJI-MRXNPFEDSA-N 1 0 315.363 3.547 20 10 DHCDRO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1O ZINC000091974435 1032465401 /nfs/dbraw/zinc/46/54/01/1032465401.db2.gz NUKVZCAFTMTJNF-UHFFFAOYSA-N 1 0 311.360 3.553 20 10 DHCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840820606 1017089648 /nfs/dbraw/zinc/08/96/48/1017089648.db2.gz SEKMEOHOCFVZMV-IPELMVKDSA-N 1 0 302.462 3.895 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000192848102 1017098970 /nfs/dbraw/zinc/09/89/70/1017098970.db2.gz CDCYSCUCRPWWJZ-MLGOLLRUSA-N 1 0 313.401 3.685 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012152 1032526077 /nfs/dbraw/zinc/52/60/77/1032526077.db2.gz VXIYJHAJMDFLQB-OALUTQOASA-N 1 0 316.420 3.666 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505174 1032543125 /nfs/dbraw/zinc/54/31/25/1032543125.db2.gz GDUHADOYZBSRBI-UYAOXDASSA-N 1 0 314.473 3.678 20 10 DHCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505176 1032543377 /nfs/dbraw/zinc/54/33/77/1032543377.db2.gz GDUHADOYZBSRBI-QUCCMNQESA-N 1 0 314.473 3.678 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cnc(C)s2)cc1 ZINC000773073739 1032549917 /nfs/dbraw/zinc/54/99/17/1032549917.db2.gz FEJMSWAMIKGJFC-ZDUSSCGKSA-N 1 0 303.475 3.801 20 10 DHCDRO CC(C)C([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000773082394 1032553129 /nfs/dbraw/zinc/55/31/29/1032553129.db2.gz VSONIBSQMYSFHW-HNNXBMFYSA-N 1 0 322.468 3.994 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)ncn1 ZINC000773106007 1032560707 /nfs/dbraw/zinc/56/07/07/1032560707.db2.gz JGUIWFKPXJBARC-INIZCTEOSA-N 1 0 310.445 3.626 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1 ZINC000773108110 1032561882 /nfs/dbraw/zinc/56/18/82/1032561882.db2.gz OYNCRAYZMSHDNE-CRAIPNDOSA-N 1 0 306.494 3.836 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1F ZINC000799736359 1012490691 /nfs/dbraw/zinc/49/06/91/1012490691.db2.gz OZELKHKMNBIDPZ-GDBMZVCRSA-N 1 0 308.441 3.671 20 10 DHCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000776955918 1032663160 /nfs/dbraw/zinc/66/31/60/1032663160.db2.gz YIMOTPCKUVPLGM-HOTGVXAUSA-N 1 0 308.441 3.575 20 10 DHCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1C ZINC000776958657 1032671622 /nfs/dbraw/zinc/67/16/22/1032671622.db2.gz FGCXABVPTMXMQF-QGZVFWFLSA-N 1 0 319.445 3.559 20 10 DHCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000192854325 1017122648 /nfs/dbraw/zinc/12/26/48/1017122648.db2.gz WQLZIKDSAHWXMR-OLZOCXBDSA-N 1 0 309.413 3.999 20 10 DHCDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C ZINC000115630589 1032683979 /nfs/dbraw/zinc/68/39/79/1032683979.db2.gz ZJNIXTCJCKLWCX-GOSISDBHSA-N 1 0 324.468 3.991 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000716294597 1032692873 /nfs/dbraw/zinc/69/28/73/1032692873.db2.gz WCHXPTJJMFRVTQ-WMZOPIPTSA-N 1 0 310.441 3.626 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000716294594 1032693269 /nfs/dbraw/zinc/69/32/69/1032693269.db2.gz WCHXPTJJMFRVTQ-FUHWJXTLSA-N 1 0 310.441 3.626 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CCC(OC(F)F)CC2)c(Cl)c1 ZINC000840952325 1017540782 /nfs/dbraw/zinc/54/07/82/1017540782.db2.gz YUZKDJAGOFETBB-UHFFFAOYSA-N 1 0 319.779 3.994 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(C)C ZINC000840967079 1017678044 /nfs/dbraw/zinc/67/80/44/1017678044.db2.gz KRAYEVBAQONOQJ-MOPGFXCFSA-N 1 0 304.478 3.562 20 10 DHCDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840974994 1017728720 /nfs/dbraw/zinc/72/87/20/1017728720.db2.gz BBZSKQXLAJLWED-CYBMUJFWSA-N 1 0 303.475 3.547 20 10 DHCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000186131272 1017875650 /nfs/dbraw/zinc/87/56/50/1017875650.db2.gz XZFFJDCSJUVHCI-GXTWGEPZSA-N 1 0 313.445 3.584 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000021812640 1017957440 /nfs/dbraw/zinc/95/74/40/1017957440.db2.gz LXOPEFJUHHJLPZ-GFCCVEGCSA-N 1 0 305.805 3.948 20 10 DHCDRO Nc1ccc(CC[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000841036507 1018095256 /nfs/dbraw/zinc/09/52/56/1018095256.db2.gz UAISRKDKDKXAPO-UHFFFAOYSA-N 1 0 312.310 3.759 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CC1(C)C ZINC000785426264 1018198060 /nfs/dbraw/zinc/19/80/60/1018198060.db2.gz LXCXYVRPMZKJSY-YOEHRIQHSA-N 1 0 304.503 3.764 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764431181 1018281828 /nfs/dbraw/zinc/28/18/28/1018281828.db2.gz BTRWGHYASHJULN-RVKKMQEKSA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764745352 1018362990 /nfs/dbraw/zinc/36/29/90/1018362990.db2.gz LYTGIHJRAGWFSH-OAHLLOKOSA-N 1 0 320.452 3.893 20 10 DHCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000766141007 1018492955 /nfs/dbraw/zinc/49/29/55/1018492955.db2.gz CGWLDCLIHRNBOH-QGZVFWFLSA-N 1 0 324.472 3.835 20 10 DHCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4cc[nH]c4c3)ccc21 ZINC000858116892 1032772997 /nfs/dbraw/zinc/77/29/97/1032772997.db2.gz SABYRGZIHIEVNG-UHFFFAOYSA-N 1 0 305.425 3.840 20 10 DHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000858131833 1032776828 /nfs/dbraw/zinc/77/68/28/1032776828.db2.gz JXQTTWLRSGEDPZ-UHFFFAOYSA-N 1 0 309.457 3.916 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765278212 1018741857 /nfs/dbraw/zinc/74/18/57/1018741857.db2.gz BTTNKZWMIJHVHJ-NVXWUHKLSA-N 1 0 319.468 3.561 20 10 DHCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765303381 1018750077 /nfs/dbraw/zinc/75/00/77/1018750077.db2.gz ZZTICWCCMSQGKH-IKGGRYGDSA-N 1 0 303.494 3.524 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000706808724 1018761729 /nfs/dbraw/zinc/76/17/29/1018761729.db2.gz YQWWLFPFGQANJK-OAHLLOKOSA-N 1 0 318.214 3.932 20 10 DHCDRO C[C@H](CCc1ccco1)[NH2+]Cc1c(O)cccc1Br ZINC000706843747 1018770485 /nfs/dbraw/zinc/77/04/85/1018770485.db2.gz XHTIYMCNAMITOG-LLVKDONJSA-N 1 0 324.218 3.859 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)cc1 ZINC000765396878 1018773170 /nfs/dbraw/zinc/77/31/70/1018773170.db2.gz NYJMLWXNEKZDMJ-MRXNPFEDSA-N 1 0 322.456 3.843 20 10 DHCDRO c1csc(SCCC[NH2+]Cc2ccc3cc[nH]c3c2)n1 ZINC000858140683 1032781358 /nfs/dbraw/zinc/78/13/58/1032781358.db2.gz HEKWKOCZIWIFLU-UHFFFAOYSA-N 1 0 303.456 3.896 20 10 DHCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000858161859 1032787571 /nfs/dbraw/zinc/78/75/71/1032787571.db2.gz ZCXJSRFECDFAKR-VIFPVBQESA-N 1 0 320.177 3.680 20 10 DHCDRO Cc1cccc2c1CC[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001171572246 1032788536 /nfs/dbraw/zinc/78/85/36/1032788536.db2.gz BIMCLTVMALGUKZ-SFHVURJKSA-N 1 0 323.436 3.712 20 10 DHCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765945033 1018951943 /nfs/dbraw/zinc/95/19/43/1018951943.db2.gz OUFRCEWITNPREA-VQIMIIECSA-N 1 0 304.478 3.879 20 10 DHCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765945030 1018952606 /nfs/dbraw/zinc/95/26/06/1018952606.db2.gz OUFRCEWITNPREA-QFBILLFUSA-N 1 0 304.478 3.879 20 10 DHCDRO CC1(C)[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1(F)F ZINC000858193384 1032798762 /nfs/dbraw/zinc/79/87/62/1032798762.db2.gz XAZPIFCPWMFOLV-LLVKDONJSA-N 1 0 320.177 3.536 20 10 DHCDRO CCOc1cccc(C[NH2+][C@]2(C)CCOc3ccccc32)c1O ZINC000923026672 1018990613 /nfs/dbraw/zinc/99/06/13/1018990613.db2.gz WIICABFEBXDQQN-LJQANCHMSA-N 1 0 313.397 3.578 20 10 DHCDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607880 1018998051 /nfs/dbraw/zinc/99/80/51/1018998051.db2.gz FALFHGFIIDCWRF-GOSISDBHSA-N 1 0 309.409 3.933 20 10 DHCDRO c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCC3)C1)CCCO2 ZINC000921858323 1019003579 /nfs/dbraw/zinc/00/35/79/1019003579.db2.gz DPLSXRQDJNZZTH-QGZVFWFLSA-N 1 0 301.430 3.593 20 10 DHCDRO c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCC3)C1)CCCO2 ZINC000921858322 1019004272 /nfs/dbraw/zinc/00/42/72/1019004272.db2.gz DPLSXRQDJNZZTH-KRWDZBQOSA-N 1 0 301.430 3.593 20 10 DHCDRO COc1ccc(CNc2cc(C[NH+](C)C)ccc2OC)c(C)c1 ZINC000921877114 1019033891 /nfs/dbraw/zinc/03/38/91/1019033891.db2.gz VNKLAVACMLVVCP-UHFFFAOYSA-N 1 0 314.429 3.686 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000765678843 1019037280 /nfs/dbraw/zinc/03/72/80/1019037280.db2.gz BEPHIDKOKUKXCD-BEFAXECRSA-N 1 0 304.478 3.735 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC000785439801 1019116292 /nfs/dbraw/zinc/11/62/92/1019116292.db2.gz XHGOTAJHLDWFHO-DAYGRLMNSA-N 1 0 302.462 3.608 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000785439803 1019116867 /nfs/dbraw/zinc/11/68/67/1019116867.db2.gz XHGOTAJHLDWFHO-MPGHIAIKSA-N 1 0 302.462 3.608 20 10 DHCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921634557 1019332765 /nfs/dbraw/zinc/33/27/65/1019332765.db2.gz OORRLZIJGJYWNF-GOSISDBHSA-N 1 0 309.409 3.933 20 10 DHCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922102127 1019449300 /nfs/dbraw/zinc/44/93/00/1019449300.db2.gz CTZBMMNSTPQOSD-UHFFFAOYSA-N 1 0 302.805 3.658 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCCCC2)O1 ZINC001171636109 1032834572 /nfs/dbraw/zinc/83/45/72/1032834572.db2.gz LGBXUDMUEPHMHR-INIZCTEOSA-N 1 0 302.462 3.676 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1Cl ZINC000132286112 1019529445 /nfs/dbraw/zinc/52/94/45/1019529445.db2.gz WCNWCDBCIDCOGT-UHFFFAOYSA-N 1 0 312.196 3.997 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000858317480 1032843708 /nfs/dbraw/zinc/84/37/08/1032843708.db2.gz PTHNLHVWBIDTAK-AWEZNQCLSA-N 1 0 301.459 3.984 20 10 DHCDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727161321 1019661876 /nfs/dbraw/zinc/66/18/76/1019661876.db2.gz HAOFNEJTJCQJKZ-MRXNPFEDSA-N 1 0 312.457 3.879 20 10 DHCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000282222725 1019696809 /nfs/dbraw/zinc/69/68/09/1019696809.db2.gz IBXQLRBZXXBETG-QFBILLFUSA-N 1 0 302.462 3.676 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000727838691 1019819169 /nfs/dbraw/zinc/81/91/69/1019819169.db2.gz QOCGWMZXORZSHE-LJQANCHMSA-N 1 0 304.478 3.564 20 10 DHCDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000186210757 1019956785 /nfs/dbraw/zinc/95/67/85/1019956785.db2.gz KYDWNMLOLJPMOZ-MCIONIFRSA-N 1 0 303.446 3.878 20 10 DHCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000765992294 1020126478 /nfs/dbraw/zinc/12/64/78/1020126478.db2.gz IFWTXOQZYACQMP-DLBZAZTESA-N 1 0 322.880 3.788 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000176983042 1020153757 /nfs/dbraw/zinc/15/37/57/1020153757.db2.gz MYAPXJUSTPVWOF-WDEREUQCSA-N 1 0 303.333 3.672 20 10 DHCDRO CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000186241911 1020170718 /nfs/dbraw/zinc/17/07/18/1020170718.db2.gz IAPVZWVSYDLCOE-CQSZACIVSA-N 1 0 322.449 3.736 20 10 DHCDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732231456 1020214180 /nfs/dbraw/zinc/21/41/80/1020214180.db2.gz XXQKQRODMCRLCN-HXUWFJFHSA-N 1 0 313.441 3.946 20 10 DHCDRO CCc1cccc2c(CC[NH2+]Cc3c(O)cccc3OC)c[nH]c21 ZINC000732230116 1020214210 /nfs/dbraw/zinc/21/42/10/1020214210.db2.gz BZRKKUZVALIASD-UHFFFAOYSA-N 1 0 324.424 3.777 20 10 DHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722361 1020239357 /nfs/dbraw/zinc/23/93/57/1020239357.db2.gz GGVNVMIEQAMPKS-SXLOBPIMSA-N 1 0 321.420 3.740 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922774839 1020256830 /nfs/dbraw/zinc/25/68/30/1020256830.db2.gz DIMRXYINZFSXPH-RHSMWYFYSA-N 1 0 319.351 3.539 20 10 DHCDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)C1(C)C ZINC000765806755 1020281515 /nfs/dbraw/zinc/28/15/15/1020281515.db2.gz ZPIDFOYHYHIFTB-OLZOCXBDSA-N 1 0 314.520 3.807 20 10 DHCDRO COC(=O)CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C(C)C ZINC000733182787 1020345312 /nfs/dbraw/zinc/34/53/12/1020345312.db2.gz BPEWIVACYVLNJX-UHFFFAOYSA-N 1 0 307.434 3.598 20 10 DHCDRO Cc1cc(CN2CC[NH+](C3CCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000733296976 1020368524 /nfs/dbraw/zinc/36/85/24/1020368524.db2.gz HEDJPMQFONNJGS-UHFFFAOYSA-N 1 0 316.489 3.668 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1F ZINC000733322785 1020368954 /nfs/dbraw/zinc/36/89/54/1020368954.db2.gz CXXNMTORVZXFHM-UHFFFAOYSA-N 1 0 306.812 3.877 20 10 DHCDRO CN(C)c1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1F ZINC000733322617 1020370202 /nfs/dbraw/zinc/37/02/02/1020370202.db2.gz QIXBQVMOPVKBRX-UHFFFAOYSA-N 1 0 321.484 3.636 20 10 DHCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2c(O)cccc2Cl)C1 ZINC000733325214 1020371145 /nfs/dbraw/zinc/37/11/45/1020371145.db2.gz FBAZKUDDOHLFPV-ZIAGYGMSSA-N 1 0 324.896 3.892 20 10 DHCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000733327193 1020373325 /nfs/dbraw/zinc/37/33/25/1020373325.db2.gz PDPKDWDBMFISCV-UHFFFAOYSA-N 1 0 309.768 3.526 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000733327436 1020374539 /nfs/dbraw/zinc/37/45/39/1020374539.db2.gz XIPWBDIXXPHDHT-LPHOPBHVSA-N 1 0 310.441 3.626 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000282701172 1020504718 /nfs/dbraw/zinc/50/47/18/1020504718.db2.gz KWYRSFCXGZVKBA-LLVKDONJSA-N 1 0 306.793 3.608 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1O ZINC000378923935 1020525376 /nfs/dbraw/zinc/52/53/76/1020525376.db2.gz ZZHZDEPHYDTDSD-NSHDSACASA-N 1 0 307.340 3.920 20 10 DHCDRO CC(C)(C)c1cc(C[NH2+][C@@H](CO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000734164482 1020569350 /nfs/dbraw/zinc/56/93/50/1020569350.db2.gz NHUGLWKXACHAKK-KRWDZBQOSA-N 1 0 319.489 3.848 20 10 DHCDRO CC(C)n1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000735167906 1020700085 /nfs/dbraw/zinc/70/00/85/1020700085.db2.gz BIEQFJSKODRPHY-UHFFFAOYSA-N 1 0 314.477 3.941 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000177931257 1020859921 /nfs/dbraw/zinc/85/99/21/1020859921.db2.gz VEOAKZRVGKKJCF-AEFFLSMTSA-N 1 0 302.462 3.897 20 10 DHCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000738158583 1020863350 /nfs/dbraw/zinc/86/33/50/1020863350.db2.gz MTZFEZFPCKJUJX-INIZCTEOSA-N 1 0 307.397 3.579 20 10 DHCDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738244044 1020868341 /nfs/dbraw/zinc/86/83/41/1020868341.db2.gz ULQCKVOMLQTEDX-INIZCTEOSA-N 1 0 311.381 3.630 20 10 DHCDRO C[N@H+](CCc1cccnc1)Cc1ccc(N2CCCCC2)cc1 ZINC000738299367 1020871754 /nfs/dbraw/zinc/87/17/54/1020871754.db2.gz OLYXTEKNKHLGSI-UHFFFAOYSA-N 1 0 309.457 3.746 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924572453 1020908747 /nfs/dbraw/zinc/90/87/47/1020908747.db2.gz CHFWSGQHZBKZLR-OAHLLOKOSA-N 1 0 312.457 3.831 20 10 DHCDRO CCOC(=O)CCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000739916282 1020925050 /nfs/dbraw/zinc/92/50/50/1020925050.db2.gz WVFKONDFBAMEOH-UHFFFAOYSA-N 1 0 319.445 3.870 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1F ZINC000740011245 1020927318 /nfs/dbraw/zinc/92/73/18/1020927318.db2.gz LXSQEKIMPOHPNI-UHFFFAOYSA-N 1 0 312.388 3.970 20 10 DHCDRO COCC[N@H+](Cc1cccs1)Cc1cc(C)c(C)cc1O ZINC000740758325 1020946410 /nfs/dbraw/zinc/94/64/10/1020946410.db2.gz ARKIKPLYHSAWAQ-UHFFFAOYSA-N 1 0 305.443 3.719 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1O ZINC000159573150 1020985303 /nfs/dbraw/zinc/98/53/03/1020985303.db2.gz QXXPMHIOPWAYQW-GOSISDBHSA-N 1 0 307.397 3.819 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCO[C@H]21 ZINC000741255126 1020995093 /nfs/dbraw/zinc/99/50/93/1020995093.db2.gz GCCDRMGVOVAKLE-DFQSSKMNSA-N 1 0 323.436 3.962 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000264532585 1032950258 /nfs/dbraw/zinc/95/02/58/1032950258.db2.gz JWFNCTRXCDYKMA-KKSFZXQISA-N 1 0 322.452 3.861 20 10 DHCDRO Oc1ccc(Br)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000310817249 1021059349 /nfs/dbraw/zinc/05/93/49/1021059349.db2.gz GWBJTRDPXWJTSD-VXGBXAGGSA-N 1 0 310.235 3.777 20 10 DHCDRO Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310817247 1021059814 /nfs/dbraw/zinc/05/98/14/1021059814.db2.gz GWBJTRDPXWJTSD-TXEJJXNPSA-N 1 0 310.235 3.777 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1C ZINC000742368592 1021107892 /nfs/dbraw/zinc/10/78/92/1021107892.db2.gz JRIWINARHKADII-UHFFFAOYSA-N 1 0 308.381 3.954 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCOC1 ZINC000742380884 1021108310 /nfs/dbraw/zinc/10/83/10/1021108310.db2.gz SNAFXTHZCHEEFE-RDJZCZTQSA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCc2ccc3ccccc3n2)cc1C ZINC000742369466 1021111913 /nfs/dbraw/zinc/11/19/13/1021111913.db2.gz XGSWSYTZJIESOV-UHFFFAOYSA-N 1 0 306.409 3.890 20 10 DHCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000742371049 1021113060 /nfs/dbraw/zinc/11/30/60/1021113060.db2.gz GPWWZTNEJVGNDJ-KRWDZBQOSA-N 1 0 322.880 3.932 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1C ZINC000742371797 1021113258 /nfs/dbraw/zinc/11/32/58/1021113258.db2.gz DMOXNWCRHCSTJP-DJJJIMSYSA-N 1 0 305.462 3.676 20 10 DHCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370741 1021113321 /nfs/dbraw/zinc/11/33/21/1021113321.db2.gz LFJUJWFPEMEIMC-INIZCTEOSA-N 1 0 313.397 3.631 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000742377109 1021114064 /nfs/dbraw/zinc/11/40/64/1021114064.db2.gz MODURPVWYNWYRO-WMZOPIPTSA-N 1 0 312.457 3.917 20 10 DHCDRO CC(=O)c1cc(Cl)cc(CN(C)Cc2cnc(C)s2)c1O ZINC000177034142 1021193411 /nfs/dbraw/zinc/19/34/11/1021193411.db2.gz YHFJFROVQIDHSO-UHFFFAOYSA-N 1 0 324.833 3.645 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c(Cl)c1 ZINC001202281896 1021200497 /nfs/dbraw/zinc/20/04/97/1021200497.db2.gz WRDZCJGMTAXWLN-MRXNPFEDSA-N 1 0 310.869 3.564 20 10 DHCDRO C[N@@H+](Cc1cccc2ccccc21)Cc1cc2c(cc1O)OCO2 ZINC000917469461 1021276376 /nfs/dbraw/zinc/27/63/76/1021276376.db2.gz FHZUIYVTGMRZIN-UHFFFAOYSA-N 1 0 321.376 3.906 20 10 DHCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000743398409 1021285194 /nfs/dbraw/zinc/28/51/94/1021285194.db2.gz HQSIXNKDUFTFNN-DLBZAZTESA-N 1 0 305.487 3.987 20 10 DHCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917617604 1021324022 /nfs/dbraw/zinc/32/40/22/1021324022.db2.gz MDOTYFBEHDYYDM-MRXNPFEDSA-N 1 0 311.381 3.766 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850010501 1021393533 /nfs/dbraw/zinc/39/35/33/1021393533.db2.gz IRHVRITXWWTNIF-CYBMUJFWSA-N 1 0 314.429 3.944 20 10 DHCDRO COc1cc(C[NH2+]Cc2csc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850037437 1021401814 /nfs/dbraw/zinc/40/18/14/1021401814.db2.gz CSRDURXXBMGCAS-UHFFFAOYSA-N 1 0 320.458 3.753 20 10 DHCDRO COCCC(C)(C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850171044 1021432220 /nfs/dbraw/zinc/43/22/20/1021432220.db2.gz WKILKSQGGZDZOA-UHFFFAOYSA-N 1 0 309.450 3.603 20 10 DHCDRO COc1cc(C[NH2+][C@H]2CSC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850295104 1021468544 /nfs/dbraw/zinc/46/85/44/1021468544.db2.gz RZTAEAYQVPTJGR-ABAIWWIYSA-N 1 0 309.475 3.539 20 10 DHCDRO COc1cc(C[NH2+][C@H](C)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850337918 1021478508 /nfs/dbraw/zinc/47/85/08/1021478508.db2.gz ARGWDTFOCYOKIV-CYBMUJFWSA-N 1 0 321.461 3.603 20 10 DHCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4cc[nH]c43)C2)cc1 ZINC000850346642 1021481750 /nfs/dbraw/zinc/48/17/50/1021481750.db2.gz VNOSGHWUEWCGOS-QGZVFWFLSA-N 1 0 321.424 3.545 20 10 DHCDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850362914 1021487391 /nfs/dbraw/zinc/48/73/91/1021487391.db2.gz VAHCUSSAOMJNRP-INIZCTEOSA-N 1 0 321.804 3.532 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000850362572 1021488115 /nfs/dbraw/zinc/48/81/15/1021488115.db2.gz PHPAMGPHZVMQPD-SFHVURJKSA-N 1 0 317.360 3.747 20 10 DHCDRO c1ccc2nc(CC[NH2+]Cc3ccc4c(c3)CCO4)ccc2c1 ZINC000744269548 1021489195 /nfs/dbraw/zinc/48/91/95/1021489195.db2.gz FJAKRLQLVVFYHX-UHFFFAOYSA-N 1 0 304.393 3.502 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850374261 1021496815 /nfs/dbraw/zinc/49/68/15/1021496815.db2.gz LERFLPCYDIXDSZ-WBVHZDCISA-N 1 0 303.789 3.622 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000850377482 1021499151 /nfs/dbraw/zinc/49/91/51/1021499151.db2.gz DWDFMOOVCPHNKB-GUXCAODWSA-N 1 0 314.473 3.690 20 10 DHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC000850385245 1021500602 /nfs/dbraw/zinc/50/06/02/1021500602.db2.gz AZERGESCIUKVDB-XLIONFOSSA-N 1 0 309.457 3.649 20 10 DHCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(O)c1 ZINC000850389394 1021505788 /nfs/dbraw/zinc/50/57/88/1021505788.db2.gz WHJYNDWEMJGJRS-DLBZAZTESA-N 1 0 319.445 3.617 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CCc2nsc3ccccc23)cc1 ZINC000850400417 1021509489 /nfs/dbraw/zinc/50/94/89/1021509489.db2.gz CZJCDRVOFFKAJL-UHFFFAOYSA-N 1 0 311.454 3.695 20 10 DHCDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850408789 1021516190 /nfs/dbraw/zinc/51/61/90/1021516190.db2.gz TVOYATVTLHDOGE-KRWDZBQOSA-N 1 0 302.462 3.582 20 10 DHCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236618397 1021524876 /nfs/dbraw/zinc/52/48/76/1021524876.db2.gz CANLIVSCECAOBW-HXUWFJFHSA-N 1 0 318.505 3.954 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850444903 1021539821 /nfs/dbraw/zinc/53/98/21/1021539821.db2.gz XOIQNUIHGNICCE-ZDUSSCGKSA-N 1 0 313.397 3.577 20 10 DHCDRO CCOCc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)ccc1OC ZINC000744449231 1021549461 /nfs/dbraw/zinc/54/94/61/1021549461.db2.gz TXONFRZTKMKCIN-HKUYNNGSSA-N 1 0 321.461 3.525 20 10 DHCDRO CCOC1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000850473251 1021553553 /nfs/dbraw/zinc/55/35/53/1021553553.db2.gz DDBJKSANHVANHQ-VQSBYGRUSA-N 1 0 318.505 3.929 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000850474527 1021554086 /nfs/dbraw/zinc/55/40/86/1021554086.db2.gz OCYSZFSRAULHKN-HUUCEWRRSA-N 1 0 312.498 3.673 20 10 DHCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3ccsc3)C2)cc1 ZINC000850486263 1021559408 /nfs/dbraw/zinc/55/94/08/1021559408.db2.gz BLKQRXRONLGOLM-HOCLYGCPSA-N 1 0 316.470 3.556 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)c2c1c(F)ccc2O ZINC000850526389 1021579188 /nfs/dbraw/zinc/57/91/88/1021579188.db2.gz BRZNSRNOIGXBNA-KHSQJDLVSA-N 1 0 313.372 3.848 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)c2c1c(F)ccc2O ZINC000850526391 1021579910 /nfs/dbraw/zinc/57/99/10/1021579910.db2.gz BRZNSRNOIGXBNA-MGJUMRQLSA-N 1 0 313.372 3.848 20 10 DHCDRO COc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)c(O)c1OC ZINC000892734333 1021583321 /nfs/dbraw/zinc/58/33/21/1021583321.db2.gz WTTIFEWZLGTWHT-UHFFFAOYSA-N 1 0 315.413 3.624 20 10 DHCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850537845 1021593061 /nfs/dbraw/zinc/59/30/61/1021593061.db2.gz AHIINZNXBPAPJM-CRAIPNDOSA-N 1 0 302.462 3.840 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850541421 1021596120 /nfs/dbraw/zinc/59/61/20/1021596120.db2.gz ZQZZWVIDZXIOJG-CXAGYDPISA-N 1 0 306.425 3.502 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000850541422 1021596432 /nfs/dbraw/zinc/59/64/32/1021596432.db2.gz ZQZZWVIDZXIOJG-DYVFJYSZSA-N 1 0 306.425 3.502 20 10 DHCDRO CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C)cc1O ZINC000850551467 1021599695 /nfs/dbraw/zinc/59/96/95/1021599695.db2.gz SAESBWGXJOVTCL-KRWDZBQOSA-N 1 0 313.445 3.943 20 10 DHCDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850553653 1021600907 /nfs/dbraw/zinc/60/09/07/1021600907.db2.gz AANYIQUINAAYER-BKTGTZMESA-N 1 0 317.404 3.940 20 10 DHCDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557464 1021603682 /nfs/dbraw/zinc/60/36/82/1021603682.db2.gz PNBDMQRIBCSJJD-CQSZACIVSA-N 1 0 320.864 3.938 20 10 DHCDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557463 1021603774 /nfs/dbraw/zinc/60/37/74/1021603774.db2.gz PNBDMQRIBCSJJD-AWEZNQCLSA-N 1 0 320.864 3.938 20 10 DHCDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567948 1021610670 /nfs/dbraw/zinc/61/06/70/1021610670.db2.gz MOPMEDCGBJZYMR-INIZCTEOSA-N 1 0 318.505 3.952 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850566734 1021610927 /nfs/dbraw/zinc/61/09/27/1021610927.db2.gz ROZXGNYWIJBLCV-AWEZNQCLSA-N 1 0 316.470 3.560 20 10 DHCDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568165 1021611004 /nfs/dbraw/zinc/61/10/04/1021611004.db2.gz QOSZGLNMNUSZPY-MOPGFXCFSA-N 1 0 316.489 3.562 20 10 DHCDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567304 1021611086 /nfs/dbraw/zinc/61/10/86/1021611086.db2.gz ZATXRATWZBTWTK-IBGZPJMESA-N 1 0 316.489 3.706 20 10 DHCDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850567320 1021611233 /nfs/dbraw/zinc/61/12/33/1021611233.db2.gz ZKPWIPZCZNQQCN-KRWDZBQOSA-N 1 0 324.468 3.807 20 10 DHCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567305 1021611355 /nfs/dbraw/zinc/61/13/55/1021611355.db2.gz ZATXRATWZBTWTK-LJQANCHMSA-N 1 0 316.489 3.706 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)C2CCCCC2)c1 ZINC000850569499 1021612463 /nfs/dbraw/zinc/61/24/63/1021612463.db2.gz GOLPGMIGYJKIKO-FZKQIMNGSA-N 1 0 307.434 3.647 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000182430648 1021644828 /nfs/dbraw/zinc/64/48/28/1021644828.db2.gz SNXOHONTAMIMKQ-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000182450906 1021658013 /nfs/dbraw/zinc/65/80/13/1021658013.db2.gz BCRSNGDEGPDAIP-CYBMUJFWSA-N 1 0 315.417 3.563 20 10 DHCDRO CC[NH+]1CCC(N(C)Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237082604 1021660016 /nfs/dbraw/zinc/66/00/16/1021660016.db2.gz SSFMYWUGSCHICS-UHFFFAOYSA-N 1 0 317.260 3.615 20 10 DHCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000154848455 1021674148 /nfs/dbraw/zinc/67/41/48/1021674148.db2.gz PQNDSZKRFMFSMW-MRXNPFEDSA-N 1 0 319.445 3.564 20 10 DHCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@H]1CC1(C)C ZINC001237122293 1021703920 /nfs/dbraw/zinc/70/39/20/1021703920.db2.gz HLIWQHQDUBGETO-SNVBAGLBSA-N 1 0 303.324 3.769 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766331781 1021709522 /nfs/dbraw/zinc/70/95/22/1021709522.db2.gz VMNREGTTZNHGNK-AFAVFJNCSA-N 1 0 307.434 3.644 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766331784 1021709962 /nfs/dbraw/zinc/70/99/62/1021709962.db2.gz VMNREGTTZNHGNK-ZLIFDBKOSA-N 1 0 307.434 3.644 20 10 DHCDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000182873040 1021844266 /nfs/dbraw/zinc/84/42/66/1021844266.db2.gz XHOPFWIIKWCSPQ-CYBMUJFWSA-N 1 0 300.358 3.802 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOCc2ccccc2)c1 ZINC000182895087 1021852573 /nfs/dbraw/zinc/85/25/73/1021852573.db2.gz GDYJTVCSQSGBAS-HNNXBMFYSA-N 1 0 315.413 3.658 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)Cc1ncc(C)c(OC)c1C ZINC000110030884 1021912379 /nfs/dbraw/zinc/91/23/79/1021912379.db2.gz LWVFXUOMOLJYIZ-UHFFFAOYSA-N 1 0 314.429 3.825 20 10 DHCDRO COc1cc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cc(OC)c1 ZINC000919955851 1021987341 /nfs/dbraw/zinc/98/73/41/1021987341.db2.gz FMIDPUWXFGHKOK-UHFFFAOYSA-N 1 0 315.413 3.658 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851899120 1022033165 /nfs/dbraw/zinc/03/31/65/1022033165.db2.gz YJPIEPJGJRAKJF-MAODMQOUSA-N 1 0 322.452 3.730 20 10 DHCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264866 1022047507 /nfs/dbraw/zinc/04/75/07/1022047507.db2.gz GDIXZZOXJPQQBU-NWDGAFQWSA-N 1 0 317.351 3.859 20 10 DHCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852084194 1022070182 /nfs/dbraw/zinc/07/01/82/1022070182.db2.gz QQRLVOVXRUXDQM-SFHVURJKSA-N 1 0 309.457 3.917 20 10 DHCDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756360597 1022073237 /nfs/dbraw/zinc/07/32/37/1022073237.db2.gz UMRRSHXSKYCEFO-LBPRGKRZSA-N 1 0 321.804 3.784 20 10 DHCDRO CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000766383374 1022083369 /nfs/dbraw/zinc/08/33/69/1022083369.db2.gz WGEVHKUQRLJZGD-KRWDZBQOSA-N 1 0 320.477 3.915 20 10 DHCDRO CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000766437501 1022113523 /nfs/dbraw/zinc/11/35/23/1022113523.db2.gz OINUHJDRPRKYLR-FHWLQOOXSA-N 1 0 304.478 3.735 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1 ZINC000766436558 1022113956 /nfs/dbraw/zinc/11/39/56/1022113956.db2.gz HZNZZTNNFAKCHY-SNRMKQJTSA-N 1 0 304.478 3.735 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC1=CCCCCC1 ZINC000766471760 1022121828 /nfs/dbraw/zinc/12/18/28/1022121828.db2.gz ZFTMBBZNWXRRRM-UHFFFAOYSA-N 1 0 314.473 3.893 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766497704 1022134572 /nfs/dbraw/zinc/13/45/72/1022134572.db2.gz PEBGUMPSLJFRQQ-KSSFIOAISA-N 1 0 320.452 3.892 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1O ZINC000756374009 1022143147 /nfs/dbraw/zinc/14/31/47/1022143147.db2.gz WQPKPFGPWVZXJC-DYVFJYSZSA-N 1 0 318.848 3.999 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(-n2cccn2)c1 ZINC000183539244 1022180235 /nfs/dbraw/zinc/18/02/35/1022180235.db2.gz WEAZPRMKYMHTBO-GJZGRUSLSA-N 1 0 307.397 3.990 20 10 DHCDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766574937 1022240802 /nfs/dbraw/zinc/24/08/02/1022240802.db2.gz WHUVDEBDKAQBGE-DAYGRLMNSA-N 1 0 320.452 3.892 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)c(O)c1OC ZINC000893210071 1022241459 /nfs/dbraw/zinc/24/14/59/1022241459.db2.gz OITPXVQLVXDJIX-JTQLQIEISA-N 1 0 323.339 3.538 20 10 DHCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000183671904 1022263097 /nfs/dbraw/zinc/26/30/97/1022263097.db2.gz APCCHODENFUAJY-GJZGRUSLSA-N 1 0 305.418 3.509 20 10 DHCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2cccc(F)c2)cc1OC ZINC000182222773 1022271686 /nfs/dbraw/zinc/27/16/86/1022271686.db2.gz BFJGKTMZTDXEQV-UHFFFAOYSA-N 1 0 319.376 3.573 20 10 DHCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC23CCCC3)c1O ZINC000763453089 1022279224 /nfs/dbraw/zinc/27/92/24/1022279224.db2.gz QKEHJCJFICKABC-CYBMUJFWSA-N 1 0 310.235 3.885 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631261 1022301347 /nfs/dbraw/zinc/30/13/47/1022301347.db2.gz UQQOLVZOYMFBEF-SGTLLEGYSA-N 1 0 321.367 3.790 20 10 DHCDRO Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)n1 ZINC000363857451 1022341070 /nfs/dbraw/zinc/34/10/70/1022341070.db2.gz PTUHWGQJVMZMKH-GRTSSRMGSA-N 1 0 315.417 3.769 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861435 1022346591 /nfs/dbraw/zinc/34/65/91/1022346591.db2.gz WQYVPQZOCQBKFO-MGPUTAFESA-N 1 0 321.424 3.874 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccccc1O)c1ccc(OC)c(OC)c1 ZINC000268808658 1022381031 /nfs/dbraw/zinc/38/10/31/1022381031.db2.gz GLIZHXCYGLAKCJ-HNNXBMFYSA-N 1 0 301.386 3.650 20 10 DHCDRO CC(C)(CCCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000271531172 1022474927 /nfs/dbraw/zinc/47/49/27/1022474927.db2.gz OFJJUIBWZOLQDO-UHFFFAOYSA-N 1 0 304.478 3.565 20 10 DHCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000121357656 1022481942 /nfs/dbraw/zinc/48/19/42/1022481942.db2.gz DBIDEBDHRPKYGL-UHFFFAOYSA-N 1 0 307.397 3.518 20 10 DHCDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185578932 1022502902 /nfs/dbraw/zinc/50/29/02/1022502902.db2.gz IVABUWGZUMLYNV-CHWSQXEVSA-N 1 0 319.376 3.658 20 10 DHCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(Cl)ccc1O ZINC000756493038 1022515987 /nfs/dbraw/zinc/51/59/87/1022515987.db2.gz BSGFMIOXJYLWHT-FZMZJTMJSA-N 1 0 303.789 3.700 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000697824520 1033062732 /nfs/dbraw/zinc/06/27/32/1033062732.db2.gz PIUPDKMSWWJUOJ-UKRRQHHQSA-N 1 0 322.449 3.594 20 10 DHCDRO Cc1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)c[nH]c2c1 ZINC000237818345 1022557385 /nfs/dbraw/zinc/55/73/85/1022557385.db2.gz WSRNORMWJAAEKG-UHFFFAOYSA-N 1 0 306.409 3.744 20 10 DHCDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206022786 1022564979 /nfs/dbraw/zinc/56/49/79/1022564979.db2.gz CTEDRHYTSAZBIT-QWRGUYRKSA-N 1 0 317.260 3.506 20 10 DHCDRO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000776779559 1022571320 /nfs/dbraw/zinc/57/13/20/1022571320.db2.gz NKTRLUXLEDTFJC-UHFFFAOYSA-N 1 0 321.342 3.930 20 10 DHCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)OC(C)(C)C3)c2c1 ZINC000068462327 1022644617 /nfs/dbraw/zinc/64/46/17/1022644617.db2.gz DPVINGJEUSCXTH-ZDUSSCGKSA-N 1 0 315.413 3.553 20 10 DHCDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000130829216 1022647175 /nfs/dbraw/zinc/64/71/75/1022647175.db2.gz HSBDUXIIFFTLPI-DIFFPNOSSA-N 1 0 323.795 3.787 20 10 DHCDRO CCCCCn1cc(C[NH2+]Cc2ccc(OC)c(C)c2)c(C)n1 ZINC000767427233 1022715870 /nfs/dbraw/zinc/71/58/70/1022715870.db2.gz RYBXFCFTPUENED-UHFFFAOYSA-N 1 0 315.461 3.989 20 10 DHCDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCCC2)cc1 ZINC000180434113 1022720837 /nfs/dbraw/zinc/72/08/37/1022720837.db2.gz QBKMVSVUYCBJAP-KRWDZBQOSA-N 1 0 312.461 3.614 20 10 DHCDRO COc1cc(O)c(C[NH+]2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000767516981 1022731788 /nfs/dbraw/zinc/73/17/88/1022731788.db2.gz TVFIGUGDSKAJRW-UHFFFAOYSA-N 1 0 307.434 3.668 20 10 DHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCCC2 ZINC000742390484 1022828739 /nfs/dbraw/zinc/82/87/39/1022828739.db2.gz IFOBKCCYXDECHB-QZTJIDSGSA-N 1 0 320.452 3.719 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119701332 1022846572 /nfs/dbraw/zinc/84/65/72/1022846572.db2.gz DNHRTZVSIAWRCI-VXGBXAGGSA-N 1 0 316.357 3.721 20 10 DHCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000856803279 1022871468 /nfs/dbraw/zinc/87/14/68/1022871468.db2.gz CWNUYHDRWIZVON-XGACYXMMSA-N 1 0 313.272 3.939 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCSCC1 ZINC000876532048 1033086981 /nfs/dbraw/zinc/08/69/81/1033086981.db2.gz XJEFQYKLXYWUFM-QGZVFWFLSA-N 1 0 321.486 3.516 20 10 DHCDRO CCN(CC)c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000768142737 1022891740 /nfs/dbraw/zinc/89/17/40/1022891740.db2.gz NKXVOGDDIFOCNR-UHFFFAOYSA-N 1 0 312.457 3.527 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCOc3ccccc32)cc1 ZINC000768128965 1022897917 /nfs/dbraw/zinc/89/79/17/1022897917.db2.gz ADQRXRITDBLOSO-QGZVFWFLSA-N 1 0 310.441 3.751 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2cncc3ccccc32)cc1 ZINC000768131233 1022901894 /nfs/dbraw/zinc/90/18/94/1022901894.db2.gz YDTQEEHAAKFELL-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO CC(C)C[NH+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000768139592 1022904061 /nfs/dbraw/zinc/90/40/61/1022904061.db2.gz SGGCJVXRTHJGBY-UHFFFAOYSA-N 1 0 304.478 3.637 20 10 DHCDRO C[N@H+](Cc1cccs1)Cc1cc(Br)ccc1O ZINC000768160733 1022906375 /nfs/dbraw/zinc/90/63/75/1022906375.db2.gz NLOYGEDUMNYUNO-UHFFFAOYSA-N 1 0 312.232 3.848 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000190234020 1022907292 /nfs/dbraw/zinc/90/72/92/1022907292.db2.gz CBYMSISBBARZSU-IBGZPJMESA-N 1 0 304.478 3.517 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1F ZINC000768199811 1022913891 /nfs/dbraw/zinc/91/38/91/1022913891.db2.gz ZCBFXOVNROBOAP-SFHVURJKSA-N 1 0 301.409 3.567 20 10 DHCDRO C[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1O ZINC000768175740 1022914157 /nfs/dbraw/zinc/91/41/57/1022914157.db2.gz VAYZNAHOLNKJRW-UHFFFAOYSA-N 1 0 324.193 3.926 20 10 DHCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000768196357 1022925298 /nfs/dbraw/zinc/92/52/98/1022925298.db2.gz PTSWRSXXPKUQIK-QGZVFWFLSA-N 1 0 322.452 3.643 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2c1c(F)ccc2O ZINC000768238958 1022925431 /nfs/dbraw/zinc/92/54/31/1022925431.db2.gz IKXATOWMMCLITE-HQPOHGQNSA-N 1 0 317.404 3.627 20 10 DHCDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768261231 1022935529 /nfs/dbraw/zinc/93/55/29/1022935529.db2.gz AHTNLKADCVTLOK-RDJZCZTQSA-N 1 0 320.452 3.673 20 10 DHCDRO Cc1nc(C)c(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000756556381 1022936640 /nfs/dbraw/zinc/93/66/40/1022936640.db2.gz WJUILSSMBZEZKJ-ZANVPECISA-N 1 0 320.433 3.985 20 10 DHCDRO COc1cccc(CN(Cc2ccco2)Cc2ccco2)c1O ZINC000162569294 1022939981 /nfs/dbraw/zinc/93/99/81/1022939981.db2.gz SRCKEVAMYZIVKE-UHFFFAOYSA-N 1 0 313.353 3.789 20 10 DHCDRO CCOc1ccc(O)c(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000857067875 1022940708 /nfs/dbraw/zinc/94/07/08/1022940708.db2.gz HHGKCHUATPSZLV-UHFFFAOYSA-N 1 0 303.427 3.527 20 10 DHCDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876572469 1033096590 /nfs/dbraw/zinc/09/65/90/1033096590.db2.gz DUIKUAITTULBCV-LPHOPBHVSA-N 1 0 316.489 3.658 20 10 DHCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464217 1022973403 /nfs/dbraw/zinc/97/34/03/1022973403.db2.gz OOUYJYXJWVWECK-GOSISDBHSA-N 1 0 303.446 3.518 20 10 DHCDRO COc1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c(O)cc1C ZINC000768462437 1022974259 /nfs/dbraw/zinc/97/42/59/1022974259.db2.gz LKFRUBVNTITAMW-UHFFFAOYSA-N 1 0 319.445 3.634 20 10 DHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCOC1)C1CCCCC1 ZINC000768532229 1022982802 /nfs/dbraw/zinc/98/28/02/1022982802.db2.gz IHRYNDXRCKCUOI-INIZCTEOSA-N 1 0 303.446 3.954 20 10 DHCDRO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000876591686 1033097890 /nfs/dbraw/zinc/09/78/90/1033097890.db2.gz BFMVMANJFZHTRL-UHFFFAOYSA-N 1 0 304.478 3.516 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(CSC)CC2)c1 ZINC000295096177 1022990488 /nfs/dbraw/zinc/99/04/88/1022990488.db2.gz SBVXIWSVGSDDPC-HSBZDZAISA-N 1 0 309.475 3.973 20 10 DHCDRO C[N@H+](Cc1ccccc1O)C1CCN(c2cccc(F)c2)CC1 ZINC000364298567 1022995026 /nfs/dbraw/zinc/99/50/26/1022995026.db2.gz GREVDSDPXZOHGW-UHFFFAOYSA-N 1 0 314.404 3.632 20 10 DHCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@H](C)c1ccccc1 ZINC000768595948 1022997808 /nfs/dbraw/zinc/99/78/08/1022997808.db2.gz JNLWDRBHKUQPAT-OAHLLOKOSA-N 1 0 315.413 3.610 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)CC2 ZINC000296123237 1023004820 /nfs/dbraw/zinc/00/48/20/1023004820.db2.gz VLECDWBBMQLLCG-CQSZACIVSA-N 1 0 305.324 3.771 20 10 DHCDRO CCOc1ccc(C[N@H+](CC)CCc2cccs2)c(O)c1 ZINC000768756764 1023022720 /nfs/dbraw/zinc/02/27/20/1023022720.db2.gz BVBYOIQGXKWLLE-UHFFFAOYSA-N 1 0 305.443 3.917 20 10 DHCDRO CC[C@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000768772332 1023023892 /nfs/dbraw/zinc/02/38/92/1023023892.db2.gz ZHCDHUFNHFDCJQ-JTQLQIEISA-N 1 0 316.239 3.641 20 10 DHCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876572179 1033095327 /nfs/dbraw/zinc/09/53/27/1033095327.db2.gz BHYWYMJIPVPUMT-UHFFFAOYSA-N 1 0 324.468 3.588 20 10 DHCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@@H](F)C2)c1 ZINC001236664100 1023034438 /nfs/dbraw/zinc/03/44/38/1023034438.db2.gz SILYQMJQFBRSAY-GFCCVEGCSA-N 1 0 316.214 3.787 20 10 DHCDRO CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000123565717 1023045718 /nfs/dbraw/zinc/04/57/18/1023045718.db2.gz GEDSCIRNDBURIB-SFHVURJKSA-N 1 0 313.397 3.998 20 10 DHCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000876598710 1033100949 /nfs/dbraw/zinc/10/09/49/1033100949.db2.gz PFJDSSYPHIJSNX-HNNXBMFYSA-N 1 0 304.478 3.514 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000769033626 1023070400 /nfs/dbraw/zinc/07/04/00/1023070400.db2.gz JAUIJDIDVFZNBE-LJQANCHMSA-N 1 0 311.425 3.882 20 10 DHCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000769102994 1023090244 /nfs/dbraw/zinc/09/02/44/1023090244.db2.gz RNSFRKPJWHFSKN-JXFKEZNVSA-N 1 0 310.441 3.715 20 10 DHCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759835387 1023098048 /nfs/dbraw/zinc/09/80/48/1023098048.db2.gz CVHIBWFSZZJCTL-JKSUJKDBSA-N 1 0 311.425 3.964 20 10 DHCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000769246314 1023107616 /nfs/dbraw/zinc/10/76/16/1023107616.db2.gz ZMPMLEWADLMCAG-AWEZNQCLSA-N 1 0 310.235 3.919 20 10 DHCDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769315712 1023119072 /nfs/dbraw/zinc/11/90/72/1023119072.db2.gz WATWUKLXVQDWOM-GOSISDBHSA-N 1 0 302.462 3.534 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000769316606 1023121000 /nfs/dbraw/zinc/12/10/00/1023121000.db2.gz KNTVLRXEJSIGSF-MRXNPFEDSA-N 1 0 311.381 3.766 20 10 DHCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000769316594 1023121444 /nfs/dbraw/zinc/12/14/44/1023121444.db2.gz JSYBCYZMKVEXAL-GOSISDBHSA-N 1 0 324.424 3.818 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000769331336 1023124992 /nfs/dbraw/zinc/12/49/92/1023124992.db2.gz FVULAATYXWKZIH-UHFFFAOYSA-N 1 0 314.473 3.679 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCCc3sccc3C2)c1O ZINC000769381100 1023135523 /nfs/dbraw/zinc/13/55/23/1023135523.db2.gz LQMNEXKGHJIRRZ-UHFFFAOYSA-N 1 0 303.427 3.801 20 10 DHCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000769378170 1023136182 /nfs/dbraw/zinc/13/61/82/1023136182.db2.gz ADNGLHJOTWPWHE-ZDUSSCGKSA-N 1 0 301.361 3.529 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1O ZINC000769424582 1023147659 /nfs/dbraw/zinc/14/76/59/1023147659.db2.gz LSIFGQSUGFMYAT-FQEVSTJZSA-N 1 0 311.425 3.955 20 10 DHCDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769452262 1023156360 /nfs/dbraw/zinc/15/63/60/1023156360.db2.gz UVDQUBFFVYESRR-DLBZAZTESA-N 1 0 302.462 3.534 20 10 DHCDRO CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(O)c1 ZINC000769499965 1023167129 /nfs/dbraw/zinc/16/71/29/1023167129.db2.gz YAADKMRHWLUSCP-WBVHZDCISA-N 1 0 307.459 3.651 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000769558583 1023180383 /nfs/dbraw/zinc/18/03/83/1023180383.db2.gz FVWKIMRJIZCAJO-CYBMUJFWSA-N 1 0 303.352 3.968 20 10 DHCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000769873576 1023236392 /nfs/dbraw/zinc/23/63/92/1023236392.db2.gz JAWHTLFPWHSYAB-ZDUSSCGKSA-N 1 0 301.434 3.771 20 10 DHCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756628004 1023239539 /nfs/dbraw/zinc/23/95/39/1023239539.db2.gz UKZAMGKBPVJFFZ-VNHYZAJKSA-N 1 0 309.425 3.714 20 10 DHCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769875936 1023239718 /nfs/dbraw/zinc/23/97/18/1023239718.db2.gz XZOPYOPUNDXKPE-NSHDSACASA-N 1 0 305.397 3.601 20 10 DHCDRO OC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000769932676 1023250561 /nfs/dbraw/zinc/25/05/61/1023250561.db2.gz IAEARQUEUWVVOE-SFHVURJKSA-N 1 0 316.470 3.562 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991737 1023257776 /nfs/dbraw/zinc/25/77/76/1023257776.db2.gz ZTEZGKMVXZUYLK-SJORKVTESA-N 1 0 304.459 3.588 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@H](OCC)C23CCC3)c1 ZINC000770353846 1023304868 /nfs/dbraw/zinc/30/48/68/1023304868.db2.gz VIQRLSVGCPIBJS-ROUUACIJSA-N 1 0 319.445 3.570 20 10 DHCDRO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCC1 ZINC000770510507 1023316981 /nfs/dbraw/zinc/31/69/81/1023316981.db2.gz NCMYIGJQVOKZSJ-UHFFFAOYSA-N 1 0 302.462 3.676 20 10 DHCDRO Cc1cccc(C2=CC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000770660248 1023334532 /nfs/dbraw/zinc/33/45/32/1023334532.db2.gz FIKVOILCYACVCB-UHFFFAOYSA-N 1 0 323.392 3.719 20 10 DHCDRO COc1ccc(O)c(C[NH2+][C@H](C)CSc2ccc(C)cc2)c1 ZINC000770666781 1023335850 /nfs/dbraw/zinc/33/58/50/1023335850.db2.gz WKJZAKFTEWQCIO-CQSZACIVSA-N 1 0 317.454 3.980 20 10 DHCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000770746739 1023347477 /nfs/dbraw/zinc/34/74/77/1023347477.db2.gz OBFLQQHRSYCNMP-IFXJQAMLSA-N 1 0 316.420 3.758 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)Cc2nccc3ccccc32)cc1 ZINC000771935466 1023489839 /nfs/dbraw/zinc/48/98/39/1023489839.db2.gz UWEZPWWJSUWRHE-UHFFFAOYSA-N 1 0 305.425 3.933 20 10 DHCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1C ZINC000785611265 1023597961 /nfs/dbraw/zinc/59/79/61/1023597961.db2.gz WIQNYPAEUMPELS-INIZCTEOSA-N 1 0 323.795 3.619 20 10 DHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000756741803 1023665133 /nfs/dbraw/zinc/66/51/33/1023665133.db2.gz XEDYSAKNOWHRJK-SJKOYZFVSA-N 1 0 305.805 3.738 20 10 DHCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000786583215 1023708079 /nfs/dbraw/zinc/70/80/79/1023708079.db2.gz OYRJKUHZAUJVAM-SJLPKXTDSA-N 1 0 313.441 3.572 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000786829677 1023728254 /nfs/dbraw/zinc/72/82/54/1023728254.db2.gz MIVAYOJWVKTYHK-GOSISDBHSA-N 1 0 310.441 3.544 20 10 DHCDRO CCOC(CC[NH2+][C@H](CC)c1cc(Cl)ccc1O)OCC ZINC000786969020 1023742745 /nfs/dbraw/zinc/74/27/45/1023742745.db2.gz BFNZIQVYYMMAHK-CQSZACIVSA-N 1 0 315.841 3.876 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(N(C)C)cc1 ZINC000788523545 1023900344 /nfs/dbraw/zinc/90/03/44/1023900344.db2.gz PDYMKEBAWGSYIZ-CYBMUJFWSA-N 1 0 310.401 3.587 20 10 DHCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000788535206 1023907209 /nfs/dbraw/zinc/90/72/09/1023907209.db2.gz CWODEOAMYKQVIX-PMACEKPBSA-N 1 0 312.457 3.600 20 10 DHCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000788574771 1023909161 /nfs/dbraw/zinc/90/91/61/1023909161.db2.gz ALUQFSYYRVIXHW-ZIAGYGMSSA-N 1 0 320.452 3.718 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1F ZINC000746755620 1023918052 /nfs/dbraw/zinc/91/80/52/1023918052.db2.gz OZPITXZZWRTPJD-HZPDHXFCSA-N 1 0 308.441 3.719 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(O)c1 ZINC000788804508 1023936691 /nfs/dbraw/zinc/93/66/91/1023936691.db2.gz ILXGPZQWJOZIGV-GTPINHCMSA-N 1 0 302.462 3.677 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c(O)c1 ZINC000788815688 1023939719 /nfs/dbraw/zinc/93/97/19/1023939719.db2.gz PQWUOGJLHSJGEO-RDJZCZTQSA-N 1 0 305.462 3.848 20 10 DHCDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc2ccccc2c1O ZINC000186143583 1024053869 /nfs/dbraw/zinc/05/38/69/1024053869.db2.gz UBWORYCDCYDUQF-UKRRQHHQSA-N 1 0 301.430 3.993 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000094015365 1024054259 /nfs/dbraw/zinc/05/42/59/1024054259.db2.gz LIILSFDMDYBZMJ-UHFFFAOYSA-N 1 0 319.445 3.691 20 10 DHCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859614356 1033184315 /nfs/dbraw/zinc/18/43/15/1033184315.db2.gz DNRICEHZNLYFPR-SUMWQHHRSA-N 1 0 323.400 3.974 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCOCC1 ZINC000268565068 1024128413 /nfs/dbraw/zinc/12/84/13/1024128413.db2.gz PDNXWKYKWUKNKJ-OAHLLOKOSA-N 1 0 311.425 3.964 20 10 DHCDRO COCCCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000116879125 1033191198 /nfs/dbraw/zinc/19/11/98/1033191198.db2.gz JKLZIHGUJCDICO-UHFFFAOYSA-N 1 0 303.402 3.804 20 10 DHCDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2O1 ZINC000268801131 1024162258 /nfs/dbraw/zinc/16/22/58/1024162258.db2.gz BCIPPTDCZWGTCO-OAHLLOKOSA-N 1 0 301.361 3.923 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000882947014 1024182404 /nfs/dbraw/zinc/18/24/04/1024182404.db2.gz GYRXYHUCDGDQTO-OAHLLOKOSA-N 1 0 305.324 3.674 20 10 DHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C[C@H](C)O ZINC000268943482 1024198032 /nfs/dbraw/zinc/19/80/32/1024198032.db2.gz AQDFIMXTDXERLW-PMPSAXMXSA-N 1 0 322.468 3.874 20 10 DHCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000883031089 1024219422 /nfs/dbraw/zinc/21/94/22/1024219422.db2.gz JDRTWLLKXQLOJG-UHFFFAOYSA-N 1 0 324.415 3.557 20 10 DHCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000876972974 1033195088 /nfs/dbraw/zinc/19/50/88/1033195088.db2.gz UGXJEBFSUXLWSR-OAHLLOKOSA-N 1 0 324.424 3.678 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC000876968806 1033195319 /nfs/dbraw/zinc/19/53/19/1033195319.db2.gz UBUDBNSEPAYECP-UYAOXDASSA-N 1 0 311.425 3.958 20 10 DHCDRO CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000269079615 1024237886 /nfs/dbraw/zinc/23/78/86/1024237886.db2.gz ZEGXZNUQLWPXDS-WOJBJXKFSA-N 1 0 312.457 3.917 20 10 DHCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCCCc2ccccc21 ZINC000662634239 1024287578 /nfs/dbraw/zinc/28/75/78/1024287578.db2.gz DJZVBGOGOYWYKP-UHFFFAOYSA-N 1 0 320.436 3.706 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(O)c1C ZINC000790495878 1024313357 /nfs/dbraw/zinc/31/33/57/1024313357.db2.gz CZZAFGKARTYHJX-RDJZCZTQSA-N 1 0 304.478 3.780 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(O)c1C ZINC000790495879 1024314409 /nfs/dbraw/zinc/31/44/09/1024314409.db2.gz CZZAFGKARTYHJX-WBVHZDCISA-N 1 0 304.478 3.780 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000790700091 1024356720 /nfs/dbraw/zinc/35/67/20/1024356720.db2.gz CDGCNGKFVDSYIW-KXBFYZLASA-N 1 0 304.478 3.735 20 10 DHCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000883354014 1024400123 /nfs/dbraw/zinc/40/01/23/1024400123.db2.gz IZVAOYFMTUZBMD-JVEIWDLLSA-N 1 0 302.462 3.561 20 10 DHCDRO Cc1noc(C)c1CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790974395 1024419273 /nfs/dbraw/zinc/41/92/73/1024419273.db2.gz TYXSPPBRGIGUPB-UHFFFAOYSA-N 1 0 312.772 3.512 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+]CCCN1CCc2ccccc21 ZINC000317090051 1024462768 /nfs/dbraw/zinc/46/27/68/1024462768.db2.gz AVXJLBYDRHRNQC-UHFFFAOYSA-N 1 0 316.832 3.588 20 10 DHCDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000271255092 1024477508 /nfs/dbraw/zinc/47/75/08/1024477508.db2.gz JKYFJPBRSGPZLY-WBMJQRKESA-N 1 0 321.804 3.727 20 10 DHCDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000271255090 1024478462 /nfs/dbraw/zinc/47/84/62/1024478462.db2.gz JKYFJPBRSGPZLY-LRDDRELGSA-N 1 0 321.804 3.727 20 10 DHCDRO Fc1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)CCO4)c2c1 ZINC000116922672 1033219497 /nfs/dbraw/zinc/21/94/97/1033219497.db2.gz OQZGEQFFLKGBPW-UHFFFAOYSA-N 1 0 310.372 3.574 20 10 DHCDRO CC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccccc1O ZINC000271681645 1024560605 /nfs/dbraw/zinc/56/06/05/1024560605.db2.gz ILWDVZAMTJTMBI-CQSZACIVSA-N 1 0 306.793 3.690 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166751053 1024647044 /nfs/dbraw/zinc/64/70/44/1024647044.db2.gz MOYXQXLVNFYPHI-JKSUJKDBSA-N 1 0 322.468 3.875 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](CC)C(=O)OC(C)(C)C ZINC000792233609 1024649990 /nfs/dbraw/zinc/64/99/90/1024649990.db2.gz REAPDXKDXKXEAG-OAHLLOKOSA-N 1 0 307.434 3.725 20 10 DHCDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000747100277 1024889863 /nfs/dbraw/zinc/88/98/63/1024889863.db2.gz SRMQTPLIBKFWSO-GJZGRUSLSA-N 1 0 311.425 3.912 20 10 DHCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230497 1024944586 /nfs/dbraw/zinc/94/45/86/1024944586.db2.gz FWRFTDCKBHHVJN-ZWNOBZJWSA-N 1 0 303.324 3.564 20 10 DHCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000877123324 1033247363 /nfs/dbraw/zinc/24/73/63/1033247363.db2.gz TXOLTYQVYATUOL-CQSZACIVSA-N 1 0 323.396 3.644 20 10 DHCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC000793267952 1024968231 /nfs/dbraw/zinc/96/82/31/1024968231.db2.gz CVCSHRXWFWPTAE-WMLDXEAASA-N 1 0 315.388 3.966 20 10 DHCDRO Cc1cc(O)c(C[NH2+]Cc2cnn(CC3CCC3)c2)c(Cl)c1 ZINC000897429765 1024969220 /nfs/dbraw/zinc/96/92/20/1024969220.db2.gz LEJGJAPXXZLBAZ-UHFFFAOYSA-N 1 0 319.836 3.640 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]CCCc2ccccc2F)c1 ZINC000793345757 1024984831 /nfs/dbraw/zinc/98/48/31/1024984831.db2.gz GDTNSOSIFVWCIV-UHFFFAOYSA-N 1 0 303.377 3.652 20 10 DHCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000227715730 1024985155 /nfs/dbraw/zinc/98/51/55/1024985155.db2.gz NNOCVSRMSRUATH-KBPBESRZSA-N 1 0 322.449 3.655 20 10 DHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000793347704 1025017698 /nfs/dbraw/zinc/01/76/98/1025017698.db2.gz WPGQEEBNBBSHJM-HZPDHXFCSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)c(O)c1 ZINC000793386697 1025029754 /nfs/dbraw/zinc/02/97/54/1025029754.db2.gz XTTCEBAQCBNJBD-UHFFFAOYSA-N 1 0 318.442 3.805 20 10 DHCDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000793523071 1025073806 /nfs/dbraw/zinc/07/38/06/1025073806.db2.gz CNKZLRZCBGRCOA-JSNMRZPZSA-N 1 0 323.436 3.912 20 10 DHCDRO C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000279692741 1025156791 /nfs/dbraw/zinc/15/67/91/1025156791.db2.gz QAPXGJXOBUFQPZ-FQEVSTJZSA-N 1 0 311.425 3.796 20 10 DHCDRO CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000793790761 1025162661 /nfs/dbraw/zinc/16/26/61/1025162661.db2.gz KWIXZUNPCFBVGI-CQSZACIVSA-N 1 0 305.487 3.846 20 10 DHCDRO COc1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000108094652 1025325901 /nfs/dbraw/zinc/32/59/01/1025325901.db2.gz GAPKUJNLPJQGOK-UHFFFAOYSA-N 1 0 324.468 3.840 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1C ZINC000136735446 1025479196 /nfs/dbraw/zinc/47/91/96/1025479196.db2.gz PXACJCJLEIPOAC-QGZVFWFLSA-N 1 0 303.446 3.981 20 10 DHCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000137073963 1025495691 /nfs/dbraw/zinc/49/56/91/1025495691.db2.gz KXLCDKVXACUMQF-SFHVURJKSA-N 1 0 314.429 3.829 20 10 DHCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877337185 1033286631 /nfs/dbraw/zinc/28/66/31/1033286631.db2.gz RFYIDJALDBGNGD-PKOBYXMFSA-N 1 0 315.388 3.850 20 10 DHCDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000355132905 1025612347 /nfs/dbraw/zinc/61/23/47/1025612347.db2.gz NKFZXQIJPOQYLW-UHFFFAOYSA-N 1 0 321.424 3.735 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000894045652 1025672038 /nfs/dbraw/zinc/67/20/38/1025672038.db2.gz ICEVOCHLPLYOJL-ZIFCJYIRSA-N 1 0 302.462 3.567 20 10 DHCDRO C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1O ZINC000359997748 1025733539 /nfs/dbraw/zinc/73/35/39/1025733539.db2.gz KLSFBBANPNHQOA-AWEZNQCLSA-N 1 0 314.404 3.851 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000236920253 1025737044 /nfs/dbraw/zinc/73/70/44/1025737044.db2.gz GVQZHOKYGQOCDM-HXUWFJFHSA-N 1 0 312.457 3.664 20 10 DHCDRO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806137810 1025780522 /nfs/dbraw/zinc/78/05/22/1025780522.db2.gz OQWRKBBXEVZXHB-MRXNPFEDSA-N 1 0 310.869 3.818 20 10 DHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684386 1025786701 /nfs/dbraw/zinc/78/67/01/1025786701.db2.gz KPBRPZHRIJDUAP-LKFCYVNXSA-N 1 0 302.349 3.735 20 10 DHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684389 1025787320 /nfs/dbraw/zinc/78/73/20/1025787320.db2.gz KPBRPZHRIJDUAP-YMTOWFKASA-N 1 0 302.349 3.735 20 10 DHCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806170013 1025798953 /nfs/dbraw/zinc/79/89/53/1025798953.db2.gz VDFIOMOZDOAEDY-DOTOQJQBSA-N 1 0 322.468 3.731 20 10 DHCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O ZINC000806180095 1025832599 /nfs/dbraw/zinc/83/25/99/1025832599.db2.gz JUIZUJDQKULYCO-PBHICJAKSA-N 1 0 319.832 3.862 20 10 DHCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000236968796 1025952001 /nfs/dbraw/zinc/95/20/01/1025952001.db2.gz APHZHDVSSGWJDP-AEFFLSMTSA-N 1 0 302.462 3.582 20 10 DHCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000093643817 1026120484 /nfs/dbraw/zinc/12/04/84/1026120484.db2.gz GCEYNGOCJYGTGA-YLJYHZDGSA-N 1 0 315.505 3.591 20 10 DHCDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(OC)c2O)s1 ZINC000093612541 1026120713 /nfs/dbraw/zinc/12/07/13/1026120713.db2.gz GRMNIIPNDUDYEG-LBPRGKRZSA-N 1 0 320.458 3.921 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000289811693 1026186382 /nfs/dbraw/zinc/18/63/82/1026186382.db2.gz SXFOHSOWZGTJMO-AQNXPRMDSA-N 1 0 323.436 3.705 20 10 DHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000289826530 1026189608 /nfs/dbraw/zinc/18/96/08/1026189608.db2.gz OKYHZVTWUFMQBS-OAHLLOKOSA-N 1 0 318.804 3.786 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1O ZINC000894160512 1026215009 /nfs/dbraw/zinc/21/50/09/1026215009.db2.gz NBSFRRXZUDMOQK-LLVKDONJSA-N 1 0 307.340 3.838 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3onc(C)c3c2)cc1 ZINC000894194947 1026337620 /nfs/dbraw/zinc/33/76/20/1026337620.db2.gz RVAPVUUNZVOUQU-UHFFFAOYSA-N 1 0 324.428 3.667 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1O ZINC000808692765 1026349950 /nfs/dbraw/zinc/34/99/50/1026349950.db2.gz ZOZOTISERWYJRN-NSHDSACASA-N 1 0 321.804 3.919 20 10 DHCDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808674122 1026353386 /nfs/dbraw/zinc/35/33/86/1026353386.db2.gz NUDNHDQQZODMBW-NSHDSACASA-N 1 0 321.852 3.598 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc32)c2c1c(F)ccc2O ZINC000808727776 1026357647 /nfs/dbraw/zinc/35/76/47/1026357647.db2.gz LUUVDAPIEMZDCX-JMSVASOKSA-N 1 0 313.372 3.845 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000808707085 1026357759 /nfs/dbraw/zinc/35/77/59/1026357759.db2.gz ZZCUTRSCDJDZNA-IINYFYTJSA-N 1 0 305.809 3.805 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000808707243 1026358003 /nfs/dbraw/zinc/35/80/03/1026358003.db2.gz IVGJPWGCBFQPED-ZBEGNZNMSA-N 1 0 323.795 3.877 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O ZINC000808699080 1026374010 /nfs/dbraw/zinc/37/40/10/1026374010.db2.gz RUWIUFYYDHCHQN-PBXWNFIWSA-N 1 0 309.837 3.818 20 10 DHCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1O ZINC000808702406 1026376175 /nfs/dbraw/zinc/37/61/75/1026376175.db2.gz GXSYOZCLKLYLHE-KSZJFAHPSA-N 1 0 309.837 3.962 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C)cc1O ZINC000279973697 1026441893 /nfs/dbraw/zinc/44/18/93/1026441893.db2.gz DCZOOBJZOKSWDZ-SFHVURJKSA-N 1 0 322.412 3.522 20 10 DHCDRO CC[C@@H]([NH2+]CCCCn1ccnc1C)c1ccc(C)cc1O ZINC000280040615 1026577383 /nfs/dbraw/zinc/57/73/83/1026577383.db2.gz IWFGIFOFLYCAPK-QGZVFWFLSA-N 1 0 301.434 3.727 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccc(C)cc1O ZINC000280038368 1026577161 /nfs/dbraw/zinc/57/71/61/1026577161.db2.gz IQQSMYFCYYHPHX-SJCJKPOMSA-N 1 0 302.418 3.977 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280089892 1026587028 /nfs/dbraw/zinc/58/70/28/1026587028.db2.gz MHRIICNWWDHAIA-SJLPKXTDSA-N 1 0 303.377 3.614 20 10 DHCDRO Cc1cccc(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)c1O ZINC000809689397 1026594842 /nfs/dbraw/zinc/59/48/42/1026594842.db2.gz NDACIQXGHYSBIM-UHFFFAOYSA-N 1 0 321.367 3.926 20 10 DHCDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(O)cccc1Cl ZINC000809689176 1026595535 /nfs/dbraw/zinc/59/55/35/1026595535.db2.gz WLMYVJIHGPIBNM-UHFFFAOYSA-N 1 0 320.776 3.628 20 10 DHCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2c(O)cccc2Cl)o1 ZINC000809735999 1026609451 /nfs/dbraw/zinc/60/94/51/1026609451.db2.gz YWKQYKRTTCAMJS-UHFFFAOYSA-N 1 0 322.836 3.511 20 10 DHCDRO COc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c1O ZINC000809741835 1026611669 /nfs/dbraw/zinc/61/16/69/1026611669.db2.gz YPYSBLQCXPUUMN-UHFFFAOYSA-N 1 0 317.332 3.771 20 10 DHCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000809758140 1026618249 /nfs/dbraw/zinc/61/82/49/1026618249.db2.gz DTTADWBHXQZOKO-CABCVRRESA-N 1 0 323.864 3.993 20 10 DHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758639 1026618540 /nfs/dbraw/zinc/61/85/40/1026618540.db2.gz SBVIQPCGXQSESQ-KGLIPLIRSA-N 1 0 309.837 3.684 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C)C2CCC(F)(F)CC2)cc1F ZINC000809781782 1026624051 /nfs/dbraw/zinc/62/40/51/1026624051.db2.gz AIVMKQZAPBVLBM-UHFFFAOYSA-N 1 0 300.368 3.901 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1C ZINC000810171045 1026692061 /nfs/dbraw/zinc/69/20/61/1026692061.db2.gz SZWZGIAAYYDYTJ-SFHVURJKSA-N 1 0 317.454 3.648 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810213532 1026707002 /nfs/dbraw/zinc/70/70/02/1026707002.db2.gz USEMPLHMTOFFLS-GXTWGEPZSA-N 1 0 316.367 3.546 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810215462 1026709885 /nfs/dbraw/zinc/70/98/85/1026709885.db2.gz FVFCYDKGSDJBHZ-ZWNOBZJWSA-N 1 0 305.340 3.877 20 10 DHCDRO CC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810222393 1026711047 /nfs/dbraw/zinc/71/10/47/1026711047.db2.gz RZTWLXUSCSHVAM-BXUZGUMPSA-N 1 0 319.367 3.860 20 10 DHCDRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810221766 1026711151 /nfs/dbraw/zinc/71/11/51/1026711151.db2.gz UBDGQDPWFUBUMB-AWEZNQCLSA-N 1 0 312.335 3.990 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227873 1026713308 /nfs/dbraw/zinc/71/33/08/1026713308.db2.gz LXHZLKRJQZQDFU-KGLIPLIRSA-N 1 0 317.351 3.877 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810226384 1026713464 /nfs/dbraw/zinc/71/34/64/1026713464.db2.gz FEODHXXCYZHEIZ-JQWIXIFHSA-N 1 0 305.365 3.957 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810230881 1026714729 /nfs/dbraw/zinc/71/47/29/1026714729.db2.gz NEXZCRPQXOJOIJ-BXKDBHETSA-N 1 0 305.340 3.611 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810208444 1026718391 /nfs/dbraw/zinc/71/83/91/1026718391.db2.gz VHDHZGKDUFRBGR-YPMHNXCESA-N 1 0 303.324 3.631 20 10 DHCDRO CC[C@H]([NH2+]CCc1cccnc1OC)c1cc(Cl)ccc1O ZINC000810259077 1026718880 /nfs/dbraw/zinc/71/88/80/1026718880.db2.gz AQJIYUAGMDVXJG-HNNXBMFYSA-N 1 0 320.820 3.733 20 10 DHCDRO CC[C@H]([NH2+]CCCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810208312 1026719258 /nfs/dbraw/zinc/71/92/58/1026719258.db2.gz ATLJFFKGKDFFAG-ZDUSSCGKSA-N 1 0 305.340 3.878 20 10 DHCDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207338 1026719377 /nfs/dbraw/zinc/71/93/77/1026719377.db2.gz JSPVMAYYQMZRPA-AWEZNQCLSA-N 1 0 316.367 3.546 20 10 DHCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000810246915 1026729644 /nfs/dbraw/zinc/72/96/44/1026729644.db2.gz HIEVCQZTUUOYDR-DQLDELGASA-N 1 0 324.468 3.569 20 10 DHCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000810246920 1026729734 /nfs/dbraw/zinc/72/97/34/1026729734.db2.gz HIEVCQZTUUOYDR-ZLGUVYLKSA-N 1 0 324.468 3.569 20 10 DHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000811511665 1027027203 /nfs/dbraw/zinc/02/72/03/1027027203.db2.gz QHMDNVACJWHNFF-OAHLLOKOSA-N 1 0 308.441 3.671 20 10 DHCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000271848413 1027161257 /nfs/dbraw/zinc/16/12/57/1027161257.db2.gz SFNQAZNNSDYALO-QGZVFWFLSA-N 1 0 321.804 3.532 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856806 1027163690 /nfs/dbraw/zinc/16/36/90/1027163690.db2.gz SKZHMVVOGJCIRQ-VXGBXAGGSA-N 1 0 316.357 3.721 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)cnc1Br ZINC000931553396 1027169683 /nfs/dbraw/zinc/16/96/83/1027169683.db2.gz CTPUSWZSAMPEKO-NSHDSACASA-N 1 0 321.218 3.709 20 10 DHCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)c1O ZINC001170670030 1027214975 /nfs/dbraw/zinc/21/49/75/1027214975.db2.gz PERLUPVHWDLQPM-HNNXBMFYSA-N 1 0 303.352 3.626 20 10 DHCDRO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812296346 1027246890 /nfs/dbraw/zinc/24/68/90/1027246890.db2.gz PJSBBLCHGGPBPK-CYBMUJFWSA-N 1 0 315.413 3.628 20 10 DHCDRO CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H](C)OC ZINC000812302902 1027248526 /nfs/dbraw/zinc/24/85/26/1027248526.db2.gz HQLCTBBZBHGJAZ-ZDUSSCGKSA-N 1 0 317.429 3.874 20 10 DHCDRO CC[C@H]([NH2+]CC(C)(C)OC)c1cc(Br)ccc1O ZINC000157991329 1027408681 /nfs/dbraw/zinc/40/86/81/1027408681.db2.gz ZYJJUHAZYWSCQM-LBPRGKRZSA-N 1 0 316.239 3.620 20 10 DHCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000296044745 1027525791 /nfs/dbraw/zinc/52/57/91/1027525791.db2.gz UQFXMSQMVZVBOH-UONOGXRCSA-N 1 0 313.445 3.899 20 10 DHCDRO CCCN(Cc1cn(C(C)C)nc1C)c1ccc(C[NH3+])cc1 ZINC000798953089 1027536404 /nfs/dbraw/zinc/53/64/04/1027536404.db2.gz CQWVTKSSEBZZTP-UHFFFAOYSA-N 1 0 300.450 3.648 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000813331776 1027608252 /nfs/dbraw/zinc/60/82/52/1027608252.db2.gz USNNRPNFEBXRHF-IZPAUZPXSA-N 1 0 313.397 3.773 20 10 DHCDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000813331673 1027609448 /nfs/dbraw/zinc/60/94/48/1027609448.db2.gz QWPMJSUSNBZOJG-UONOGXRCSA-N 1 0 315.413 3.691 20 10 DHCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000296525468 1027660421 /nfs/dbraw/zinc/66/04/21/1027660421.db2.gz RIFHVFJXAODJBY-YQVWRLOYSA-N 1 0 309.409 3.889 20 10 DHCDRO CN(C)c1ccc(C[NH2+]CC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000813781780 1027711330 /nfs/dbraw/zinc/71/13/30/1027711330.db2.gz SERYGJJMSKPGQN-UHFFFAOYSA-N 1 0 322.321 3.906 20 10 DHCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000813793668 1027712725 /nfs/dbraw/zinc/71/27/25/1027712725.db2.gz WYAKLALYCLRQNC-SCLBCKFNSA-N 1 0 317.454 3.857 20 10 DHCDRO Cc1nnsc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000813790251 1027713055 /nfs/dbraw/zinc/71/30/55/1027713055.db2.gz LQQPNJMAKNGYCU-UHFFFAOYSA-N 1 0 311.410 3.509 20 10 DHCDRO CC[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296764968 1027729012 /nfs/dbraw/zinc/72/90/12/1027729012.db2.gz LZACQAQWJAMLQE-INIZCTEOSA-N 1 0 302.462 3.534 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1C ZINC000813857470 1027730515 /nfs/dbraw/zinc/73/05/15/1027730515.db2.gz JKDNYYIXWSFVDN-FHIRATQRSA-N 1 0 324.415 3.891 20 10 DHCDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000778999221 1027742549 /nfs/dbraw/zinc/74/25/49/1027742549.db2.gz BBKSDEBALKOQKO-UHFFFAOYSA-N 1 0 307.340 3.571 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877043 1027748037 /nfs/dbraw/zinc/74/80/37/1027748037.db2.gz JADIMFPOHLEYCW-VHSXEESVSA-N 1 0 305.249 3.547 20 10 DHCDRO Cc1ccc(O)c(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000778202378 1027840475 /nfs/dbraw/zinc/84/04/75/1027840475.db2.gz SJDPNVVFMKJCEC-UHFFFAOYSA-N 1 0 315.804 3.531 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000364591653 1027846449 /nfs/dbraw/zinc/84/64/49/1027846449.db2.gz UFJFGSWNHPAJDR-XERREHJYSA-N 1 0 324.468 3.699 20 10 DHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000364621027 1027855088 /nfs/dbraw/zinc/85/50/88/1027855088.db2.gz GIDXNIKYJMJJQV-YJBOKZPZSA-N 1 0 301.386 3.818 20 10 DHCDRO Cc1cccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1O ZINC000814178423 1027913151 /nfs/dbraw/zinc/91/31/51/1027913151.db2.gz PHXYMUIOBXKQNA-OAHLLOKOSA-N 1 0 314.404 3.550 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000779038074 1027992202 /nfs/dbraw/zinc/99/22/02/1027992202.db2.gz INAIJICAYDKPGI-UWVGGRQHSA-N 1 0 324.222 3.598 20 10 DHCDRO Cc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000527989382 1028015653 /nfs/dbraw/zinc/01/56/53/1028015653.db2.gz YVIUHUHLZYGGEX-LLVKDONJSA-N 1 0 321.218 3.709 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036858 1028051049 /nfs/dbraw/zinc/05/10/49/1028051049.db2.gz ZABAFHZNRGNMDE-GBIKHYSHSA-N 1 0 304.340 3.965 20 10 DHCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N2CCCCC2)cc1 ZINC000779067337 1028132691 /nfs/dbraw/zinc/13/26/91/1028132691.db2.gz VHIPXUFJFBASBA-SJLPKXTDSA-N 1 0 324.472 3.539 20 10 DHCDRO COc1ccc(N2CCC([N@H+](C)Cc3ccsc3)CC2)cc1 ZINC000367428048 1028185102 /nfs/dbraw/zinc/18/51/02/1028185102.db2.gz FKVDTGLOJZNTRV-UHFFFAOYSA-N 1 0 316.470 3.858 20 10 DHCDRO CCc1cccc2c(CC[NH2+]Cc3cc(F)ccc3O)c[nH]c21 ZINC000779081419 1028192921 /nfs/dbraw/zinc/19/29/21/1028192921.db2.gz WCPQTSSJFMVETE-UHFFFAOYSA-N 1 0 312.388 3.907 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1 ZINC000779081518 1028193804 /nfs/dbraw/zinc/19/38/04/1028193804.db2.gz AGMRELWPKNQZJY-AWEZNQCLSA-N 1 0 310.397 3.523 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1C ZINC000779083366 1028201834 /nfs/dbraw/zinc/20/18/34/1028201834.db2.gz LBOFDBBOAPKSGU-UZLBHIALSA-N 1 0 313.441 3.957 20 10 DHCDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(N2CCCCCC2)cc1 ZINC000367630175 1028217791 /nfs/dbraw/zinc/21/77/91/1028217791.db2.gz ZSHKNSSWOFFZLV-XLNTUCKNSA-N 1 0 314.473 3.610 20 10 DHCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)ccc1N(C)C ZINC000815020171 1028329628 /nfs/dbraw/zinc/32/96/28/1028329628.db2.gz ZONKCFHBRVNSST-SFHVURJKSA-N 1 0 324.472 3.539 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)ccc1N(C)C ZINC000815068691 1028349230 /nfs/dbraw/zinc/34/92/30/1028349230.db2.gz ZEWPJWOCAWLGDG-IBGZPJMESA-N 1 0 309.457 3.747 20 10 DHCDRO Cc1cc(C[NH+]2CCC(Nc3ccccn3)CC2)ccc1N(C)C ZINC000815079783 1028351125 /nfs/dbraw/zinc/35/11/25/1028351125.db2.gz VZWUZHFGUPXJFD-UHFFFAOYSA-N 1 0 324.472 3.533 20 10 DHCDRO CCc1nocc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000815112881 1028359429 /nfs/dbraw/zinc/35/94/29/1028359429.db2.gz GTVYXMMWQYQRJE-UHFFFAOYSA-N 1 0 323.440 3.977 20 10 DHCDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1O ZINC000779148310 1028424781 /nfs/dbraw/zinc/42/47/81/1028424781.db2.gz BZBHKYPSRBSSIH-SJCJKPOMSA-N 1 0 305.805 3.911 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c(O)c1 ZINC000815565862 1028546887 /nfs/dbraw/zinc/54/68/87/1028546887.db2.gz BVCNQEYKVMOQPO-HZPDHXFCSA-N 1 0 311.425 3.911 20 10 DHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074534 1028554632 /nfs/dbraw/zinc/55/46/32/1028554632.db2.gz ICEIXEBBTXTERY-INIZCTEOSA-N 1 0 320.477 3.638 20 10 DHCDRO C[C@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815584685 1028556963 /nfs/dbraw/zinc/55/69/63/1028556963.db2.gz MJUGKFITHLISPR-APWZRJJASA-N 1 0 313.441 3.674 20 10 DHCDRO C[C@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815584688 1028557163 /nfs/dbraw/zinc/55/71/63/1028557163.db2.gz MJUGKFITHLISPR-VQIMIIECSA-N 1 0 313.441 3.674 20 10 DHCDRO Cc1n[nH]cc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595586 1028562408 /nfs/dbraw/zinc/56/24/08/1028562408.db2.gz VXZALVVCZMXJER-IBGZPJMESA-N 1 0 321.424 3.887 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000815574802 1028567779 /nfs/dbraw/zinc/56/77/79/1028567779.db2.gz CSZFEAJZJIYZPG-CQSZACIVSA-N 1 0 322.449 3.574 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c(O)c1 ZINC000815616900 1028573325 /nfs/dbraw/zinc/57/33/25/1028573325.db2.gz AWDYSUXBRUZBAM-KYNGSXCRSA-N 1 0 303.446 3.865 20 10 DHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000370222935 1028577612 /nfs/dbraw/zinc/57/76/12/1028577612.db2.gz PDZQPBNGVHFXLG-AEFFLSMTSA-N 1 0 303.446 3.982 20 10 DHCDRO CCC[N@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1O ZINC000189480829 1028587821 /nfs/dbraw/zinc/58/78/21/1028587821.db2.gz HEZVBANFNGNUOJ-UHFFFAOYSA-N 1 0 323.330 3.521 20 10 DHCDRO CSCc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000189480084 1028588119 /nfs/dbraw/zinc/58/81/19/1028588119.db2.gz QSOFJBUSPMDKQL-UHFFFAOYSA-N 1 0 300.471 3.905 20 10 DHCDRO COCC1(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000815642348 1028590018 /nfs/dbraw/zinc/59/00/18/1028590018.db2.gz ZMQXVBPPNGWBME-TZMCWYRMSA-N 1 0 307.409 3.876 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cc[nH]c(=O)c1 ZINC000815642729 1028590327 /nfs/dbraw/zinc/59/03/27/1028590327.db2.gz KINSZYJEGCCQHU-STQMWFEESA-N 1 0 312.413 3.783 20 10 DHCDRO COCC1(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000815642345 1028590530 /nfs/dbraw/zinc/59/05/30/1028590530.db2.gz ZMQXVBPPNGWBME-GXTWGEPZSA-N 1 0 307.409 3.876 20 10 DHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1O ZINC000815645639 1028592767 /nfs/dbraw/zinc/59/27/67/1028592767.db2.gz LTUNABUVFOAQKW-ZJUUUORDSA-N 1 0 304.203 3.862 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(C)cc1O ZINC000815648464 1028593124 /nfs/dbraw/zinc/59/31/24/1028593124.db2.gz NFHSHISBRRNEIG-FUHWJXTLSA-N 1 0 305.462 3.930 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C2CCC3(CCOCC3)CC2)cc1C ZINC000371187651 1028675929 /nfs/dbraw/zinc/67/59/29/1028675929.db2.gz ZWHYNVJZKOEKKC-UHFFFAOYSA-N 1 0 303.446 3.838 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372595042 1028872902 /nfs/dbraw/zinc/87/29/02/1028872902.db2.gz OVLKJTMUCCPYMP-IEBWSBKVSA-N 1 0 313.397 3.622 20 10 DHCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816498592 1028904957 /nfs/dbraw/zinc/90/49/57/1028904957.db2.gz BDBLENVYBVXIOV-UHFFFAOYSA-N 1 0 319.404 3.852 20 10 DHCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCCC[C@H]1C ZINC000816535329 1028921897 /nfs/dbraw/zinc/92/18/97/1028921897.db2.gz MCXXJVUQKCNKQG-CVEARBPZSA-N 1 0 312.457 3.898 20 10 DHCDRO Oc1c(C[NH2+]CCOc2ccc(F)cc2)ccc2ccccc21 ZINC000816532824 1028922841 /nfs/dbraw/zinc/92/28/41/1028922841.db2.gz XARMNLUFYYJDJL-UHFFFAOYSA-N 1 0 311.356 3.853 20 10 DHCDRO CN(CC[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816538530 1028925753 /nfs/dbraw/zinc/92/57/53/1028925753.db2.gz UTCZYZHHPWIGDP-UHFFFAOYSA-N 1 0 320.436 3.767 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1O ZINC000816545002 1028926504 /nfs/dbraw/zinc/92/65/04/1028926504.db2.gz ZPVCHNQXDXXJLP-UHFFFAOYSA-N 1 0 309.365 3.549 20 10 DHCDRO C[NH+](C)CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816550069 1028932717 /nfs/dbraw/zinc/93/27/17/1028932717.db2.gz HJOJVJWGKZSJAK-OAHLLOKOSA-N 1 0 316.848 3.641 20 10 DHCDRO Oc1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521707 1028933766 /nfs/dbraw/zinc/93/37/66/1028933766.db2.gz XBSYGDLHACIQTL-SJLPKXTDSA-N 1 0 311.425 3.794 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1OC ZINC000816528410 1028935322 /nfs/dbraw/zinc/93/53/22/1028935322.db2.gz BJAMILMJUDHDCV-UHFFFAOYSA-N 1 0 323.392 3.852 20 10 DHCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816552216 1028939959 /nfs/dbraw/zinc/93/99/59/1028939959.db2.gz DUUFNHXOKUJFQH-UHFFFAOYSA-N 1 0 301.430 3.966 20 10 DHCDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCO[C@H]1C1CC1 ZINC000816570804 1028948219 /nfs/dbraw/zinc/94/82/19/1028948219.db2.gz HUOIAOLMEHJSKF-VQTJNVASSA-N 1 0 311.425 3.840 20 10 DHCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H](O)Cc1ccccc1 ZINC000816624756 1028953196 /nfs/dbraw/zinc/95/31/96/1028953196.db2.gz GVLFIFNBPXSVEN-LJQANCHMSA-N 1 0 321.420 3.581 20 10 DHCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816609030 1028959568 /nfs/dbraw/zinc/95/95/68/1028959568.db2.gz QAWQKTTUVLRIKP-UHFFFAOYSA-N 1 0 311.425 3.936 20 10 DHCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc21 ZINC000816615646 1028965891 /nfs/dbraw/zinc/96/58/91/1028965891.db2.gz BIFFXISFYBFHBM-UHFFFAOYSA-N 1 0 317.392 3.722 20 10 DHCDRO CCN(C)c1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373519757 1029069480 /nfs/dbraw/zinc/06/94/80/1029069480.db2.gz GNKMENCQAQBXOC-VQSBYGRUSA-N 1 0 315.505 3.810 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(O)c1C ZINC000373521059 1029071851 /nfs/dbraw/zinc/07/18/51/1029071851.db2.gz JPTQWMQFGDSMOH-KLAILNCOSA-N 1 0 302.462 3.677 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000817407558 1029150080 /nfs/dbraw/zinc/15/00/80/1029150080.db2.gz TVUGMBRLPLFWKL-UHFFFAOYSA-N 1 0 314.473 3.726 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817413288 1029152712 /nfs/dbraw/zinc/15/27/12/1029152712.db2.gz VQOZLQFXJBDRPB-LBPRGKRZSA-N 1 0 317.351 3.955 20 10 DHCDRO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859632 1029184386 /nfs/dbraw/zinc/18/43/86/1029184386.db2.gz LURLKFMQEXLPTQ-PBHICJAKSA-N 1 0 301.386 3.555 20 10 DHCDRO COC1([C@@H](C)[NH2+]CCCSc2nccs2)CCCCC1 ZINC000817577348 1029205575 /nfs/dbraw/zinc/20/55/75/1029205575.db2.gz ILLKIKDERCKKLR-CYBMUJFWSA-N 1 0 314.520 3.953 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccncc1Cl ZINC000817578796 1029206830 /nfs/dbraw/zinc/20/68/30/1029206830.db2.gz YLBHWWCJOMDXMA-ZDUSSCGKSA-N 1 0 303.837 3.960 20 10 DHCDRO Cc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc(C)n1 ZINC000817588399 1029216499 /nfs/dbraw/zinc/21/64/99/1029216499.db2.gz FEDNSTRIIHOWEW-BMIGLBTASA-N 1 0 300.377 3.881 20 10 DHCDRO CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000155651964 1029270757 /nfs/dbraw/zinc/27/07/57/1029270757.db2.gz AMYCZGZIBDDRHC-OAHLLOKOSA-N 1 0 322.449 3.690 20 10 DHCDRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938400 1029284532 /nfs/dbraw/zinc/28/45/32/1029284532.db2.gz JVXQTPJLAZEBSH-JXFKEZNVSA-N 1 0 311.473 3.720 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817943319 1029286803 /nfs/dbraw/zinc/28/68/03/1029286803.db2.gz UJKSWHIAKNWGRI-RBUKOAKNSA-N 1 0 315.436 3.632 20 10 DHCDRO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945482 1029286856 /nfs/dbraw/zinc/28/68/56/1029286856.db2.gz DRWCCNKLWUYCLH-GXFFZTMASA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817942945 1029287048 /nfs/dbraw/zinc/28/70/48/1029287048.db2.gz SABKXNXJRUVSRP-MOPGFXCFSA-N 1 0 315.436 3.632 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817945674 1029287762 /nfs/dbraw/zinc/28/77/62/1029287762.db2.gz JESVIGBHXAYKBZ-QMTHXVAHSA-N 1 0 317.260 3.739 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(C)c1 ZINC000817942011 1029288842 /nfs/dbraw/zinc/28/88/42/1029288842.db2.gz MAAKPXDFVHRIRG-WOJBJXKFSA-N 1 0 311.473 3.802 20 10 DHCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945483 1029289442 /nfs/dbraw/zinc/28/94/42/1029289442.db2.gz DRWCCNKLWUYCLH-MFKMUULPSA-N 1 0 317.260 3.739 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000817955341 1029292864 /nfs/dbraw/zinc/29/28/64/1029292864.db2.gz VXCGXSISBKEOHC-KUHUBIRLSA-N 1 0 310.441 3.622 20 10 DHCDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCCO2 ZINC000817956348 1029296549 /nfs/dbraw/zinc/29/65/49/1029296549.db2.gz WXBSLEULKSBCLN-IBGZPJMESA-N 1 0 310.441 3.932 20 10 DHCDRO Nc1ccc(CC[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000817958414 1029296619 /nfs/dbraw/zinc/29/66/19/1029296619.db2.gz VMNDWWICFPYQCO-UHFFFAOYSA-N 1 0 302.462 3.671 20 10 DHCDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(N)cc1 ZINC000817956029 1029298128 /nfs/dbraw/zinc/29/81/28/1029298128.db2.gz OCTWOWSBBYZGGK-LJQANCHMSA-N 1 0 300.421 3.807 20 10 DHCDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957127 1029298627 /nfs/dbraw/zinc/29/86/27/1029298627.db2.gz JIPYUSOYDRNRBB-JSNMRZPZSA-N 1 0 310.441 3.602 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817960634 1029301182 /nfs/dbraw/zinc/30/11/82/1029301182.db2.gz OLSAWBJGEGWEMR-WDMOLILDSA-N 1 0 316.367 3.579 20 10 DHCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969276 1029308334 /nfs/dbraw/zinc/30/83/34/1029308334.db2.gz AREHRDQWZUGILQ-QCZZGDTMSA-N 1 0 317.260 3.738 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970500 1029309669 /nfs/dbraw/zinc/30/96/69/1029309669.db2.gz XSKCOXZHXKXOHK-LPEHRKFASA-N 1 0 303.233 3.620 20 10 DHCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972321 1029311478 /nfs/dbraw/zinc/31/14/78/1029311478.db2.gz WBAAPGBMVPMASJ-XDTLVQLUSA-N 1 0 317.260 3.738 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817977220 1029313781 /nfs/dbraw/zinc/31/37/81/1029313781.db2.gz FAVANSQPHHZOII-JOYOIKCWSA-N 1 0 305.249 3.867 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817975048 1029314148 /nfs/dbraw/zinc/31/41/48/1029314148.db2.gz IDZYZIYABDIUOB-BLLLJJGKSA-N 1 0 312.413 3.927 20 10 DHCDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976606 1029314393 /nfs/dbraw/zinc/31/43/93/1029314393.db2.gz OXHIVBKIGNDJPN-ZJUUUORDSA-N 1 0 305.249 3.867 20 10 DHCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000818341752 1029373767 /nfs/dbraw/zinc/37/37/67/1029373767.db2.gz FWRDQOHNCFMFMU-CDHQVMDDSA-N 1 0 314.473 3.690 20 10 DHCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCC3(C)C)C2)cc1 ZINC000818345261 1029376392 /nfs/dbraw/zinc/37/63/92/1029376392.db2.gz SOHZNFWTVJCUNE-YJBOKZPZSA-N 1 0 302.462 3.690 20 10 DHCDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000320819501 1029391223 /nfs/dbraw/zinc/39/12/23/1029391223.db2.gz FBTXWNAMRCOEDX-XHDPSFHLSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c(O)c1 ZINC000529557306 1029414315 /nfs/dbraw/zinc/41/43/15/1029414315.db2.gz MCNCCCIBHNFXPV-MRXNPFEDSA-N 1 0 321.779 3.970 20 10 DHCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)cc2)CC1 ZINC000819038680 1029468819 /nfs/dbraw/zinc/46/88/19/1029468819.db2.gz IDDIUTFZOXZFBC-OAQYLSRUSA-N 1 0 324.468 3.746 20 10 DHCDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000374893469 1029490437 /nfs/dbraw/zinc/49/04/37/1029490437.db2.gz JGMQLEZSNNDDDM-GFCCVEGCSA-N 1 0 306.406 3.676 20 10 DHCDRO CCOCc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC ZINC000865676648 1029970066 /nfs/dbraw/zinc/97/00/66/1029970066.db2.gz MFCLGAKVGVRSIA-UHFFFAOYSA-N 1 0 321.367 3.800 20 10 DHCDRO CCOc1cccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1O ZINC000865726931 1029992133 /nfs/dbraw/zinc/99/21/33/1029992133.db2.gz VXVAVGMZBPTNJD-KRWDZBQOSA-N 1 0 319.445 3.620 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000865731567 1029994514 /nfs/dbraw/zinc/99/45/14/1029994514.db2.gz SDBFOZASRAQFCI-GFCCVEGCSA-N 1 0 312.369 3.707 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CCSCCC(F)(F)F)cc1C ZINC000865788195 1030025127 /nfs/dbraw/zinc/02/51/27/1030025127.db2.gz HHJUZBMRKOLQGL-UHFFFAOYSA-N 1 0 307.381 3.784 20 10 DHCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000822525606 1030045735 /nfs/dbraw/zinc/04/57/35/1030045735.db2.gz JTAOYKUOHVZROV-QZTJIDSGSA-N 1 0 317.816 3.662 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000822818767 1030136084 /nfs/dbraw/zinc/13/60/84/1030136084.db2.gz UPABWSYWKYLJHH-UWVGGRQHSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000866248044 1030177950 /nfs/dbraw/zinc/17/79/50/1030177950.db2.gz JYDBVZALAXDQJG-SFHVURJKSA-N 1 0 314.404 3.677 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnn1C1CCC1 ZINC000924862927 1030212403 /nfs/dbraw/zinc/21/24/03/1030212403.db2.gz SGNIGRCUXWQLMI-CYBMUJFWSA-N 1 0 316.424 3.664 20 10 DHCDRO C[N@H+](Cc1ccc2c(c1)OCCCCO2)Cc1ccccc1O ZINC000823409308 1030281002 /nfs/dbraw/zinc/28/10/02/1030281002.db2.gz XQFBFTDEYNRYSI-UHFFFAOYSA-N 1 0 313.397 3.576 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1O ZINC000866478792 1030312729 /nfs/dbraw/zinc/31/27/29/1030312729.db2.gz LCKOZKMMVSEOFT-LBPRGKRZSA-N 1 0 317.816 3.969 20 10 DHCDRO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000866516554 1030341187 /nfs/dbraw/zinc/34/11/87/1030341187.db2.gz BYPHOVNSXNYHLA-BLQFLSLASA-N 1 0 312.404 3.584 20 10 DHCDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(Cl)ccc1O ZINC000866528070 1030344031 /nfs/dbraw/zinc/34/40/31/1030344031.db2.gz BDBVJYRKWYVCBF-CHWSQXEVSA-N 1 0 309.837 3.903 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(N(C)C)cc1 ZINC000866527673 1030344333 /nfs/dbraw/zinc/34/43/33/1030344333.db2.gz MCFVPRLUOWXAEG-RDJZCZTQSA-N 1 0 302.462 3.610 20 10 DHCDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2O ZINC000866538262 1030357260 /nfs/dbraw/zinc/35/72/60/1030357260.db2.gz PWENHZQQIHSLQB-PCBIJLKTSA-N 1 0 319.420 3.732 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1 ZINC000866539189 1030359066 /nfs/dbraw/zinc/35/90/66/1030359066.db2.gz INVQZIGXXZYAKA-PVAVHDDUSA-N 1 0 303.446 3.722 20 10 DHCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)ccc1O ZINC000866540273 1030360397 /nfs/dbraw/zinc/36/03/97/1030360397.db2.gz XNOQXELEQULUQZ-RBOXIYTFSA-N 1 0 309.837 3.759 20 10 DHCDRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823666913 1030361278 /nfs/dbraw/zinc/36/12/78/1030361278.db2.gz UYTRUCKOCCDPRH-OAHLLOKOSA-N 1 0 316.470 3.554 20 10 DHCDRO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(C)cc1O ZINC000866565900 1030379731 /nfs/dbraw/zinc/37/97/31/1030379731.db2.gz UNSFMHLHTJMGOU-ZDUSSCGKSA-N 1 0 309.360 3.613 20 10 DHCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000823756916 1030390024 /nfs/dbraw/zinc/39/00/24/1030390024.db2.gz FFIBNMCZQRUNJO-LJQANCHMSA-N 1 0 302.462 3.832 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612974 1030403489 /nfs/dbraw/zinc/40/34/89/1030403489.db2.gz QAZNJUPKUNANDY-JKSUJKDBSA-N 1 0 312.461 3.822 20 10 DHCDRO COc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000291230163 1030410563 /nfs/dbraw/zinc/41/05/63/1030410563.db2.gz KIALUWLTLAMZIK-OLZOCXBDSA-N 1 0 317.351 3.954 20 10 DHCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000897521470 1030460781 /nfs/dbraw/zinc/46/07/81/1030460781.db2.gz GUKMSAHGVAIOOH-HNNXBMFYSA-N 1 0 319.367 3.582 20 10 DHCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824142148 1030480397 /nfs/dbraw/zinc/48/03/97/1030480397.db2.gz KOKPTHPPYAJUCT-CABCVRRESA-N 1 0 318.486 3.634 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784769 1030495904 /nfs/dbraw/zinc/49/59/04/1030495904.db2.gz KWZCTIRSPPCOQE-GBIKHYSHSA-N 1 0 317.260 3.595 20 10 DHCDRO COc1cccc(C[NH2+][C@@H](C)Cc2coc3ccccc23)c1O ZINC000824383078 1030543591 /nfs/dbraw/zinc/54/35/91/1030543591.db2.gz KJKUNPUZPNCSDI-ZDUSSCGKSA-N 1 0 311.381 3.868 20 10 DHCDRO COc1ccc(N2CCC([NH2+]CCCC(C)(F)F)CC2)cc1 ZINC000824477073 1030561369 /nfs/dbraw/zinc/56/13/69/1030561369.db2.gz BAQCTUKBYJCKAE-UHFFFAOYSA-N 1 0 312.404 3.689 20 10 DHCDRO Cc1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)n1C ZINC000824484731 1030565007 /nfs/dbraw/zinc/56/50/07/1030565007.db2.gz RWLZTEUWZYJHNA-UHFFFAOYSA-N 1 0 313.445 3.769 20 10 DHCDRO CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000824515052 1030570462 /nfs/dbraw/zinc/57/04/62/1030570462.db2.gz DDKDUALPRYUWFR-SMDDNHRTSA-N 1 0 319.367 3.860 20 10 DHCDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000122192069 1030596202 /nfs/dbraw/zinc/59/62/02/1030596202.db2.gz GXCNPMKCICUBMC-AWEZNQCLSA-N 1 0 308.441 3.892 20 10 DHCDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000122192270 1030596250 /nfs/dbraw/zinc/59/62/50/1030596250.db2.gz GXCNPMKCICUBMC-CQSZACIVSA-N 1 0 308.441 3.892 20 10 DHCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2C2CC2)ccc1N1CCCCC1 ZINC000824651328 1030599792 /nfs/dbraw/zinc/59/97/92/1030599792.db2.gz XFZGEQHJSVMQFC-MRXNPFEDSA-N 1 0 315.417 3.569 20 10 DHCDRO Cc1cccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000824690810 1030613559 /nfs/dbraw/zinc/61/35/59/1030613559.db2.gz MKPYHQXUIHHHRP-MRXNPFEDSA-N 1 0 305.805 3.519 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000824750639 1030635151 /nfs/dbraw/zinc/63/51/51/1030635151.db2.gz MMRSYYVISRRUTJ-GOSISDBHSA-N 1 0 316.489 3.972 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)cs3)CC2)cc1 ZINC000824751383 1030638668 /nfs/dbraw/zinc/63/86/68/1030638668.db2.gz VATCUVUMXVHSCQ-UHFFFAOYSA-N 1 0 316.470 3.824 20 10 DHCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045841 1030707170 /nfs/dbraw/zinc/70/71/70/1030707170.db2.gz MLYNSOMGOGCYJR-GFCCVEGCSA-N 1 0 323.314 3.595 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1Cl ZINC000825085522 1030720944 /nfs/dbraw/zinc/72/09/44/1030720944.db2.gz YKXYYJGWJMJXRT-OAHLLOKOSA-N 1 0 324.877 3.808 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1F ZINC000825133825 1030732553 /nfs/dbraw/zinc/73/25/53/1030732553.db2.gz MYJDCUXNRHVRMN-HNNXBMFYSA-N 1 0 308.441 3.578 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)c(OC)c2)c1 ZINC000825144744 1030733897 /nfs/dbraw/zinc/73/38/97/1030733897.db2.gz QDXVPVPLPVNQBG-NSHDSACASA-N 1 0 321.804 3.914 20 10 DHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000825133257 1030735347 /nfs/dbraw/zinc/73/53/47/1030735347.db2.gz AYBREEIRXKUWGS-IBGZPJMESA-N 1 0 302.462 3.535 20 10 DHCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000248495936 1030749321 /nfs/dbraw/zinc/74/93/21/1030749321.db2.gz LCCIKBYBRYGDGU-JDORSLCVSA-N 1 0 323.436 3.580 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](CCCO)c2ccccc2)cc1Cl ZINC000825297300 1030769114 /nfs/dbraw/zinc/76/91/14/1030769114.db2.gz AHPOEIJKVRVXDZ-QGZVFWFLSA-N 1 0 319.832 3.957 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1Cl ZINC000825327263 1030773949 /nfs/dbraw/zinc/77/39/49/1030773949.db2.gz XLDQLGOIMMUPCA-INIZCTEOSA-N 1 0 321.852 3.965 20 10 DHCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000825327390 1030777566 /nfs/dbraw/zinc/77/75/66/1030777566.db2.gz SJHKDWZIRJCZBL-CYBMUJFWSA-N 1 0 303.377 3.569 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1Cl ZINC000825394484 1030800487 /nfs/dbraw/zinc/80/04/87/1030800487.db2.gz AVACWPMLEYIVSC-ABAIWWIYSA-N 1 0 309.793 3.549 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1Cl ZINC000825412171 1030803066 /nfs/dbraw/zinc/80/30/66/1030803066.db2.gz DPVVOOYUUCOWAX-MRXNPFEDSA-N 1 0 309.837 3.745 20 10 DHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000237389594 1030865329 /nfs/dbraw/zinc/86/53/29/1030865329.db2.gz KKQAFOYKWQODBY-OAHLLOKOSA-N 1 0 320.452 3.721 20 10 DHCDRO Cn1c2ccccc2nc1NCCCSc1nccs1 ZINC000179297286 1030989180 /nfs/dbraw/zinc/98/91/80/1030989180.db2.gz JAXVMXONVLNRCF-UHFFFAOYSA-N 1 0 304.444 3.624 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCc2cnc3ccccc3c2)c1O ZINC000926923995 1031000354 /nfs/dbraw/zinc/00/03/54/1031000354.db2.gz UQMLNVDUWHMQLN-CQSZACIVSA-N 1 0 322.408 3.842 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000927072676 1031072392 /nfs/dbraw/zinc/07/23/92/1031072392.db2.gz YOFUZKJMRSYKDZ-BEFAXECRSA-N 1 0 314.477 3.924 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c(O)c1C ZINC000927071108 1031074881 /nfs/dbraw/zinc/07/48/81/1031074881.db2.gz XBWWIYBEDNEZPM-YXJHDRRASA-N 1 0 303.446 3.865 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000927072950 1031075074 /nfs/dbraw/zinc/07/50/74/1031075074.db2.gz ZTHHDCYVTBDBBS-BDJLRTHQSA-N 1 0 307.825 3.827 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@H]2c3cccc(F)c3O[C@@H]2C)c1O ZINC000360348244 1031388432 /nfs/dbraw/zinc/38/84/32/1031388432.db2.gz XBHGASWCSXQEKR-BZNIZROVSA-N 1 0 317.360 3.542 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CCc3ccccc3N1)CC2 ZINC000844923378 1031401131 /nfs/dbraw/zinc/40/11/31/1031401131.db2.gz FUOXSAXWVDOHCP-AEFFLSMTSA-N 1 0 308.425 3.786 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCc3ccccc3N1)CC2 ZINC000844923382 1031401473 /nfs/dbraw/zinc/40/14/73/1031401473.db2.gz FUOXSAXWVDOHCP-WMZOPIPTSA-N 1 0 308.425 3.786 20 10 DHCDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cc(F)ccc1O ZINC000844922897 1031401974 /nfs/dbraw/zinc/40/19/74/1031401974.db2.gz COTQDGAFFMCGPV-CJNGLKHVSA-N 1 0 314.404 3.999 20 10 DHCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)ccc21 ZINC000872029951 1031414590 /nfs/dbraw/zinc/41/45/90/1031414590.db2.gz WFPVCSHSOLRCJU-GOSISDBHSA-N 1 0 314.473 3.650 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-])c1nccs1 ZINC000293622831 1031543820 /nfs/dbraw/zinc/54/38/20/1031543820.db2.gz MPQMWZPIGHIAAA-SECBINFHSA-N 1 0 314.813 3.877 20 10 DHCDRO FC(F)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000872254909 1031562492 /nfs/dbraw/zinc/56/24/92/1031562492.db2.gz MXYABISDLZHCKE-KRWDZBQOSA-N 1 0 324.415 3.533 20 10 DHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1O ZINC000872260076 1031563176 /nfs/dbraw/zinc/56/31/76/1031563176.db2.gz IBYBYOFFOVYSFT-KRWDZBQOSA-N 1 0 319.445 3.715 20 10 DHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261441 1031563882 /nfs/dbraw/zinc/56/38/82/1031563882.db2.gz FFNHYLFDOXCWOK-CQSZACIVSA-N 1 0 309.837 3.969 20 10 DHCDRO CC(F)(F)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929972722 1031665893 /nfs/dbraw/zinc/66/58/93/1031665893.db2.gz UBIUGIZISWCCPM-OAHLLOKOSA-N 1 0 313.388 3.809 20 10 DHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Cn1cccn1 ZINC000873006970 1031691461 /nfs/dbraw/zinc/69/14/61/1031691461.db2.gz DUSAXFDBFKUAGY-MRXNPFEDSA-N 1 0 321.424 3.791 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183745 1031745855 /nfs/dbraw/zinc/74/58/55/1031745855.db2.gz FTQJADHWPITZQJ-LBPRGKRZSA-N 1 0 316.357 3.550 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000845972174 1031788367 /nfs/dbraw/zinc/78/83/67/1031788367.db2.gz PIJUVYFJHLANKO-HWWQOWPSSA-N 1 0 309.475 3.972 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000845972176 1031789498 /nfs/dbraw/zinc/78/94/98/1031789498.db2.gz PIJUVYFJHLANKO-MKBNYLNASA-N 1 0 309.475 3.972 20 10 DHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2O ZINC000873289196 1031790197 /nfs/dbraw/zinc/79/01/97/1031790197.db2.gz QVAUVYJIHLIQQZ-OTYXRUKQSA-N 1 0 304.340 3.591 20 10 DHCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@H]2SC)ccc1OC ZINC000846011032 1031804173 /nfs/dbraw/zinc/80/41/73/1031804173.db2.gz QSAULEQEKLYBLV-SJLPKXTDSA-N 1 0 323.502 3.996 20 10 DHCDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1ccccc1O ZINC000846013575 1031807548 /nfs/dbraw/zinc/80/75/48/1031807548.db2.gz MUPSIFBFPPZXDI-PZPSRYQVSA-N 1 0 303.377 3.694 20 10 DHCDRO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1O ZINC000846058534 1031815829 /nfs/dbraw/zinc/81/58/29/1031815829.db2.gz QDRDEUZTINRNFT-GOSISDBHSA-N 1 0 321.424 3.508 20 10 DHCDRO COc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000846058995 1031817607 /nfs/dbraw/zinc/81/76/07/1031817607.db2.gz WNJVRFUASBAMAM-UHFFFAOYSA-N 1 0 321.804 3.661 20 10 DHCDRO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000846055005 1031843491 /nfs/dbraw/zinc/84/34/91/1031843491.db2.gz IKRXGLQIKYSELN-GFCCVEGCSA-N 1 0 307.825 3.544 20 10 DHCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846105385 1031878293 /nfs/dbraw/zinc/87/82/93/1031878293.db2.gz TVHIVPBSWWRJFR-MAVJXHJTSA-N 1 0 306.400 3.887 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1O ZINC000846150001 1031883108 /nfs/dbraw/zinc/88/31/08/1031883108.db2.gz VZXDVWPBNQXUSP-BDJLRTHQSA-N 1 0 301.361 3.878 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1O ZINC000846150276 1031884931 /nfs/dbraw/zinc/88/49/31/1031884931.db2.gz CSEPXAABAVJREE-IAQYHMDHSA-N 1 0 317.360 3.714 20 10 DHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846158338 1031887390 /nfs/dbraw/zinc/88/73/90/1031887390.db2.gz WQRVGFMHNZIAEX-ZDUSSCGKSA-N 1 0 301.386 3.569 20 10 DHCDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846156517 1031888077 /nfs/dbraw/zinc/88/80/77/1031888077.db2.gz MQHWTJVZAABPPG-XJKSGUPXSA-N 1 0 309.450 3.893 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000846161078 1031891802 /nfs/dbraw/zinc/89/18/02/1031891802.db2.gz BMLRENFUPJNGEZ-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]CCCNc2ccccc2F)c1O ZINC000846162375 1031892592 /nfs/dbraw/zinc/89/25/92/1031892592.db2.gz GLNHEQFMFQQLGO-ZDUSSCGKSA-N 1 0 318.392 3.693 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000846171424 1031896323 /nfs/dbraw/zinc/89/63/23/1031896323.db2.gz GPURJCJMXSSONQ-CHWSQXEVSA-N 1 0 307.459 3.585 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000846171430 1031896569 /nfs/dbraw/zinc/89/65/69/1031896569.db2.gz GPURJCJMXSSONQ-STQMWFEESA-N 1 0 307.459 3.585 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)c1O ZINC000846169392 1031897405 /nfs/dbraw/zinc/89/74/05/1031897405.db2.gz QHROJLWNWJHEBC-HUUCEWRRSA-N 1 0 314.429 3.858 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000846169731 1031897424 /nfs/dbraw/zinc/89/74/24/1031897424.db2.gz SHLCIGKQVXNHME-NOZJJQNGSA-N 1 0 304.217 3.635 20 10 DHCDRO COc1ccc(CCC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846141873 1031899903 /nfs/dbraw/zinc/89/99/03/1031899903.db2.gz BCEZZLICJZOJNH-AWEZNQCLSA-N 1 0 315.413 3.693 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1O ZINC000846141303 1031902668 /nfs/dbraw/zinc/90/26/68/1031902668.db2.gz HOZMWJRDDRTTIN-CZUORRHYSA-N 1 0 313.397 3.965 20 10 DHCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000846141741 1031904542 /nfs/dbraw/zinc/90/45/42/1031904542.db2.gz RZTHQVMUXOIAJL-TYNCELHUSA-N 1 0 301.386 3.968 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000846147046 1031905644 /nfs/dbraw/zinc/90/56/44/1031905644.db2.gz VCEQYYOACRIJIR-NEPJUHHUSA-N 1 0 316.357 3.721 20 10 DHCDRO COc1cccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1O ZINC000846145131 1031905687 /nfs/dbraw/zinc/90/56/87/1031905687.db2.gz MXYNNDJHPOXRMM-YOEHRIQHSA-N 1 0 315.413 3.565 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+]CCCOc2ccccc2C)c1O ZINC000846146069 1031906765 /nfs/dbraw/zinc/90/67/65/1031906765.db2.gz PWVDAMDOVPQJBP-OAHLLOKOSA-N 1 0 315.413 3.829 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846144206 1031906910 /nfs/dbraw/zinc/90/69/10/1031906910.db2.gz LJRKKTGFOFUSKG-CHWSQXEVSA-N 1 0 301.386 3.821 20 10 DHCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)c1O ZINC000846143243 1031907463 /nfs/dbraw/zinc/90/74/63/1031907463.db2.gz CWMHQIIOQGVXFE-UONOGXRCSA-N 1 0 315.413 3.778 20 10 DHCDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846146496 1031910752 /nfs/dbraw/zinc/91/07/52/1031910752.db2.gz JBTFYDQSIMKAPQ-CYBMUJFWSA-N 1 0 301.386 3.569 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(Cl)cc1O ZINC000846185541 1031918316 /nfs/dbraw/zinc/91/83/16/1031918316.db2.gz APTYROHJTRQKER-ZJNRKIDTSA-N 1 0 319.832 3.992 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@](C)(O)c1ccccc1 ZINC000846185286 1031919121 /nfs/dbraw/zinc/91/91/21/1031919121.db2.gz AZVOPRJROIOGLH-JCGVRSQUSA-N 1 0 319.832 3.992 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000846188722 1031922664 /nfs/dbraw/zinc/92/26/64/1031922664.db2.gz OSWKOGPWBJZKSP-YRNRMSPPSA-N 1 0 312.457 3.699 20 10 DHCDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1O ZINC000846189337 1031925163 /nfs/dbraw/zinc/92/51/63/1031925163.db2.gz SXLRXVSOJLRONA-PIGZYNQJSA-N 1 0 309.837 3.901 20 10 DHCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CC(C)(C)CC(=O)OC ZINC000825710181 1031965032 /nfs/dbraw/zinc/96/50/32/1031965032.db2.gz HWMHGGHMAYDKDT-OAHLLOKOSA-N 1 0 320.477 3.730 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)nc3ccccn32)cc1 ZINC000898278087 1032015606 /nfs/dbraw/zinc/01/56/06/1032015606.db2.gz BCROAUJHAUGESL-UHFFFAOYSA-N 1 0 322.456 3.779 20 10 DHCDRO Cc1ccc(CN[C@H](C)c2nc(C3CCCCC3)no2)c(O)c1 ZINC000877470191 1033311156 /nfs/dbraw/zinc/31/11/56/1033311156.db2.gz FQXWGQKPIFZEFQ-CYBMUJFWSA-N 1 0 315.417 3.982 20 10 DHCDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877468855 1033311768 /nfs/dbraw/zinc/31/17/68/1033311768.db2.gz OEOJAPJEXLWOBD-IXDOHACOSA-N 1 0 316.489 3.514 20 10 DHCDRO Cc1cc(C)c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001172716089 1033324915 /nfs/dbraw/zinc/32/49/15/1033324915.db2.gz KTSCPGJJZYXDPW-MRXNPFEDSA-N 1 0 301.817 3.919 20 10 DHCDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877508909 1033330359 /nfs/dbraw/zinc/33/03/59/1033330359.db2.gz FJZOKQHLMOCDNB-OXJNMPFZSA-N 1 0 316.489 3.658 20 10 DHCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001172762379 1033355795 /nfs/dbraw/zinc/35/57/95/1033355795.db2.gz WWPVXELOWBIZOK-CQSZACIVSA-N 1 0 315.413 3.755 20 10 DHCDRO Cc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(O)c1 ZINC000877575961 1033367445 /nfs/dbraw/zinc/36/74/45/1033367445.db2.gz GBYNLMZNVPJESP-KRWDZBQOSA-N 1 0 317.454 3.756 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c1O ZINC000877663675 1033402745 /nfs/dbraw/zinc/40/27/45/1033402745.db2.gz FQWHCUDKDMJXLO-INIZCTEOSA-N 1 0 323.795 3.706 20 10 DHCDRO COCC1(C2CC2)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877686695 1033412636 /nfs/dbraw/zinc/41/26/36/1033412636.db2.gz UPISIVYBCBXDFI-UHFFFAOYSA-N 1 0 314.473 3.535 20 10 DHCDRO COCc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000151189825 1033426178 /nfs/dbraw/zinc/42/61/78/1033426178.db2.gz ZFJYQPQSWRJJFS-CQSZACIVSA-N 1 0 316.420 3.889 20 10 DHCDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1O ZINC000877755793 1033432928 /nfs/dbraw/zinc/43/29/28/1033432928.db2.gz NBEVRPCMBJNFAY-UONOGXRCSA-N 1 0 315.413 3.778 20 10 DHCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000877812517 1033462391 /nfs/dbraw/zinc/46/23/91/1033462391.db2.gz BYXYNBIULURRKI-LLVKDONJSA-N 1 0 308.834 3.800 20 10 DHCDRO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000877813710 1033463232 /nfs/dbraw/zinc/46/32/32/1033463232.db2.gz OEZMBOIJAOTUSF-AWEZNQCLSA-N 1 0 319.449 3.646 20 10 DHCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000927066341 1033486924 /nfs/dbraw/zinc/48/69/24/1033486924.db2.gz BHYWFDYVVHFSJJ-MEDUHNTESA-N 1 0 307.825 3.827 20 10 DHCDRO CCOc1cccc(C[NH2+][C@@](C)(CC)c2nccs2)c1O ZINC000152654630 1033535363 /nfs/dbraw/zinc/53/53/63/1033535363.db2.gz OJRQFPQATLITJT-INIZCTEOSA-N 1 0 306.431 3.662 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(N2CCOCC2)cc1 ZINC000777159475 1033557877 /nfs/dbraw/zinc/55/78/77/1033557877.db2.gz ZFYGWRDPGJBRKW-NOGSDAMLSA-N 1 0 314.473 3.753 20 10 DHCDRO COc1ccc(N2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)cc1 ZINC000777157953 1033559057 /nfs/dbraw/zinc/55/90/57/1033559057.db2.gz BZEYLGVDMONKKV-PMTKGXAQSA-N 1 0 314.473 3.832 20 10 DHCDRO Oc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1O ZINC001173201279 1033592162 /nfs/dbraw/zinc/59/21/62/1033592162.db2.gz WJJZQHRGONASPT-UHFFFAOYSA-N 1 0 313.397 3.578 20 10 DHCDRO COc1cccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1O ZINC000126953723 1033610882 /nfs/dbraw/zinc/61/08/82/1033610882.db2.gz UKDKBFHZKSETRQ-HNNXBMFYSA-N 1 0 315.388 3.605 20 10 DHCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000127086139 1033691994 /nfs/dbraw/zinc/69/19/94/1033691994.db2.gz QYAGSBPBAHVLNJ-UHFFFAOYSA-N 1 0 304.478 3.517 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000479460011 1033765881 /nfs/dbraw/zinc/76/58/81/1033765881.db2.gz IVMJZVZBXXZFHE-DBVUQKKJSA-N 1 0 324.468 3.924 20 10 DHCDRO C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000862275328 1033806903 /nfs/dbraw/zinc/80/69/03/1033806903.db2.gz QWTBREFGUIMMKY-ZIAGYGMSSA-N 1 0 324.415 3.608 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000862551627 1033886218 /nfs/dbraw/zinc/88/62/18/1033886218.db2.gz TWZRQQXOSUWGOV-UHFFFAOYSA-N 1 0 307.315 3.979 20 10 DHCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000174536291 1033940748 /nfs/dbraw/zinc/94/07/48/1033940748.db2.gz REXCNXMXUUCDNA-OTWHNJEPSA-N 1 0 314.473 3.580 20 10 DHCDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648705 1034072407 /nfs/dbraw/zinc/07/24/07/1034072407.db2.gz ACOUVWDFZWHWDL-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879649740 1034072771 /nfs/dbraw/zinc/07/27/71/1034072771.db2.gz TYXZGDYAPVWLMJ-HUUCEWRRSA-N 1 0 312.413 3.687 20 10 DHCDRO C[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccccc1O ZINC000879650083 1034073656 /nfs/dbraw/zinc/07/36/56/1034073656.db2.gz ZXIKPQOUSBAXFV-SNVBAGLBSA-N 1 0 305.761 3.625 20 10 DHCDRO C[C@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccccc1O ZINC000879650390 1034074193 /nfs/dbraw/zinc/07/41/93/1034074193.db2.gz ZCESBQYXPOMWPM-INIZCTEOSA-N 1 0 321.424 3.682 20 10 DHCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000826120268 1034118967 /nfs/dbraw/zinc/11/89/67/1034118967.db2.gz APZRYVMTCGLWBJ-VXGBXAGGSA-N 1 0 302.187 3.525 20 10 DHCDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1Cl ZINC000826122055 1034119777 /nfs/dbraw/zinc/11/97/77/1034119777.db2.gz XJHPNZFQCOMCOT-KRWDZBQOSA-N 1 0 323.864 3.991 20 10 DHCDRO C[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccc2O)C[NH2+]1 ZINC000863546202 1034127207 /nfs/dbraw/zinc/12/72/07/1034127207.db2.gz JVCWQLCTSPOPHT-YVWKXTFCSA-N 1 0 324.468 3.796 20 10 DHCDRO COCCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178107035 1034211264 /nfs/dbraw/zinc/21/12/64/1034211264.db2.gz GKPGZYVSITUGME-HNNXBMFYSA-N 1 0 308.441 3.893 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(O)c2)cc1 ZINC000178408366 1034233753 /nfs/dbraw/zinc/23/37/53/1034233753.db2.gz ZTRDTVZAJCKNEY-AWEZNQCLSA-N 1 0 314.429 3.708 20 10 DHCDRO Cc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc1N(C)C ZINC000880320870 1034294369 /nfs/dbraw/zinc/29/43/69/1034294369.db2.gz IJLGOAFFLJTKOV-HNNXBMFYSA-N 1 0 301.459 3.507 20 10 DHCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000794650935 1034330882 /nfs/dbraw/zinc/33/08/82/1034330882.db2.gz UJUXDRDRVFYNQJ-LJQANCHMSA-N 1 0 321.461 3.699 20 10 DHCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000183372018 1034380205 /nfs/dbraw/zinc/38/02/05/1034380205.db2.gz YZTKQWFAZJZKGB-GDBMZVCRSA-N 1 0 316.470 3.941 20 10 DHCDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1O)O[C@H](C)C2 ZINC000183406910 1034382952 /nfs/dbraw/zinc/38/29/52/1034382952.db2.gz BYPVVUVEMDBTGV-OLZOCXBDSA-N 1 0 313.397 3.575 20 10 DHCDRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183516969 1034395028 /nfs/dbraw/zinc/39/50/28/1034395028.db2.gz XPWIOXBGPSKREO-IFXJQAMLSA-N 1 0 315.413 3.564 20 10 DHCDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644602 1034406246 /nfs/dbraw/zinc/40/62/46/1034406246.db2.gz YVVTZHDULPZLMR-ZBEGNZNMSA-N 1 0 307.340 3.709 20 10 DHCDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794801915 1034472190 /nfs/dbraw/zinc/47/21/90/1034472190.db2.gz BROQKXODKRHRDJ-OAHLLOKOSA-N 1 0 322.449 3.608 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(C)cc1O ZINC000794802685 1034473572 /nfs/dbraw/zinc/47/35/72/1034473572.db2.gz OCYTUCJYACALFT-YJBOKZPZSA-N 1 0 311.425 3.993 20 10 DHCDRO CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000794805555 1034491337 /nfs/dbraw/zinc/49/13/37/1034491337.db2.gz XEUYIGMGNXGYHW-UGSOOPFHSA-N 1 0 315.461 3.723 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cccnc1 ZINC000184883222 1034507245 /nfs/dbraw/zinc/50/72/45/1034507245.db2.gz VNNVIFCCXCKJTN-MNOVXSKESA-N 1 0 321.218 3.962 20 10 DHCDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184863591 1034507542 /nfs/dbraw/zinc/50/75/42/1034507542.db2.gz BSKZPSSTSOUYDC-LLVKDONJSA-N 1 0 316.239 3.620 20 10 DHCDRO CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(C)cc1O ZINC000794813102 1034518920 /nfs/dbraw/zinc/51/89/20/1034518920.db2.gz BXTNLSJNXKDJTC-GJZGRUSLSA-N 1 0 305.443 3.845 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c(O)c1 ZINC000185093963 1034526632 /nfs/dbraw/zinc/52/66/32/1034526632.db2.gz RCGPDSWJFOXJQL-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185143488 1034531295 /nfs/dbraw/zinc/53/12/95/1034531295.db2.gz AZIADEUHMRUMTF-GFCCVEGCSA-N 1 0 304.365 3.566 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccc(C)cc1O ZINC000794818443 1034537065 /nfs/dbraw/zinc/53/70/65/1034537065.db2.gz XCPVXZJXQRCZRI-XJKSGUPXSA-N 1 0 300.402 3.906 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1ccc(C)cc1O ZINC000794818439 1034537249 /nfs/dbraw/zinc/53/72/49/1034537249.db2.gz XCPVXZJXQRCZRI-CZUORRHYSA-N 1 0 300.402 3.906 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccc(C)cc1O ZINC000794817606 1034539736 /nfs/dbraw/zinc/53/97/36/1034539736.db2.gz UJCGWNJVZIMIOS-IAGOWNOFSA-N 1 0 315.461 3.915 20 10 DHCDRO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C)cc1O ZINC000794819684 1034542694 /nfs/dbraw/zinc/54/26/94/1034542694.db2.gz XHKFVMIBIXSLMA-UYAOXDASSA-N 1 0 311.425 3.575 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNc2ccccc2)c1 ZINC000185489450 1034552662 /nfs/dbraw/zinc/55/26/62/1034552662.db2.gz YCLBNGOAAQCGAU-CQSZACIVSA-N 1 0 300.402 3.554 20 10 DHCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000185518489 1034555247 /nfs/dbraw/zinc/55/52/47/1034555247.db2.gz QBZFJUDQPLFONY-BONVTDFDSA-N 1 0 311.834 3.665 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000185548503 1034557348 /nfs/dbraw/zinc/55/73/48/1034557348.db2.gz WAFKCFGQRQOVIN-CZUORRHYSA-N 1 0 303.402 3.894 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccnc1F)c1cc2c(cc1O)CCCC2 ZINC000794831934 1034559123 /nfs/dbraw/zinc/55/91/23/1034559123.db2.gz ADOWZNGPLOWPAL-GFCCVEGCSA-N 1 0 300.377 3.656 20 10 DHCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185674704 1034564602 /nfs/dbraw/zinc/56/46/02/1034564602.db2.gz LCCIKBYBRYGDGU-UBWHGVKJSA-N 1 0 323.436 3.580 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000185738428 1034570875 /nfs/dbraw/zinc/57/08/75/1034570875.db2.gz RBVUXWGGPDDXAR-RYRKJORJSA-N 1 0 313.441 3.906 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000185833783 1034576035 /nfs/dbraw/zinc/57/60/35/1034576035.db2.gz GWIAGGACTJYYGQ-BIENJYKASA-N 1 0 315.413 3.564 20 10 DHCDRO C[C@@H]([NH2+]C1CCSCC1)c1cc(Br)ccc1O ZINC000185978443 1034590854 /nfs/dbraw/zinc/59/08/54/1034590854.db2.gz SZVAZYOAOXRXIE-SECBINFHSA-N 1 0 316.264 3.701 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000186009488 1034593205 /nfs/dbraw/zinc/59/32/05/1034593205.db2.gz DJCJOLDBFWMPHX-ZBEGNZNMSA-N 1 0 317.360 3.714 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC000120488017 1034593409 /nfs/dbraw/zinc/59/34/09/1034593409.db2.gz DLOUHYAFWFYLDH-UHFFFAOYSA-N 1 0 302.393 3.667 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1O ZINC000186010650 1034593977 /nfs/dbraw/zinc/59/39/77/1034593977.db2.gz ZOJGSVCXVXHYAS-BONVTDFDSA-N 1 0 305.324 3.845 20 10 DHCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186075486 1034596912 /nfs/dbraw/zinc/59/69/12/1034596912.db2.gz YEEFJOQIKIHUHI-KGLIPLIRSA-N 1 0 305.462 3.719 20 10 DHCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000186137644 1034602513 /nfs/dbraw/zinc/60/25/13/1034602513.db2.gz IKFDPQRFGYUQEW-LLVKDONJSA-N 1 0 308.422 3.813 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000186321604 1034617747 /nfs/dbraw/zinc/61/77/47/1034617747.db2.gz VKBFOTNOCLDCFH-LBPRGKRZSA-N 1 0 301.361 3.880 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c(O)c1 ZINC000186521418 1034639199 /nfs/dbraw/zinc/63/91/99/1034639199.db2.gz KAPXRQCSNDGLTR-OAHLLOKOSA-N 1 0 321.424 3.952 20 10 DHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000186542920 1034641900 /nfs/dbraw/zinc/64/19/00/1034641900.db2.gz PMGPVCAYKAZQIH-PBHICJAKSA-N 1 0 302.418 3.510 20 10 DHCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000187884047 1034737702 /nfs/dbraw/zinc/73/77/02/1034737702.db2.gz NXMMQDRHBXKIKA-MNEFBYGVSA-N 1 0 302.462 3.631 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC001175426890 1034978342 /nfs/dbraw/zinc/97/83/42/1034978342.db2.gz LMDCOGDUASSQPV-JTQLQIEISA-N 1 0 306.749 3.805 20 10 DHCDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176916108 1035339725 /nfs/dbraw/zinc/33/97/25/1035339725.db2.gz SYRWGEOIHSGVPI-OALUTQOASA-N 1 0 302.462 3.595 20 10 DHCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001206297667 1035361074 /nfs/dbraw/zinc/36/10/74/1035361074.db2.gz ZRNXFJBXNVACRX-OAHLLOKOSA-N 1 0 317.260 3.650 20 10 DHCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001177483474 1035372527 /nfs/dbraw/zinc/37/25/27/1035372527.db2.gz TWLPWPHIUUWNLO-SFHVURJKSA-N 1 0 316.489 3.972 20 10 DHCDRO Cc1cc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c(Cl)c1 ZINC001177441437 1035372546 /nfs/dbraw/zinc/37/25/46/1035372546.db2.gz ATUXQOSQDJXROU-UGSOOPFHSA-N 1 0 324.896 3.954 20 10 DHCDRO COc1cccc2c1CCC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001177586794 1035382566 /nfs/dbraw/zinc/38/25/66/1035382566.db2.gz KTBDYLUXAHSBJM-GOSISDBHSA-N 1 0 323.436 3.667 20 10 DHCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1F ZINC001177869399 1035394519 /nfs/dbraw/zinc/39/45/19/1035394519.db2.gz BQQJCNKTCGLTNZ-MAUKXSAKSA-N 1 0 322.468 3.823 20 10 DHCDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356623 1035403632 /nfs/dbraw/zinc/40/36/32/1035403632.db2.gz XFHZUEVMKDFKAZ-IBGZPJMESA-N 1 0 308.425 3.761 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2cccs2)cc1 ZINC000773733815 1035417757 /nfs/dbraw/zinc/41/77/57/1035417757.db2.gz NFMCOMITFCWINL-UHFFFAOYSA-N 1 0 318.486 3.853 20 10 DHCDRO CCOc1cccc(CNc2ccc(C(C)(C)[NH3+])cc2)c1O ZINC000904470962 1035418604 /nfs/dbraw/zinc/41/86/04/1035418604.db2.gz SUFGDJPWPLVCCZ-UHFFFAOYSA-N 1 0 300.402 3.597 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nn(C)c2ccccc12 ZINC001178454342 1035429551 /nfs/dbraw/zinc/42/95/51/1035429551.db2.gz MAKKEQIXGLEXOE-UHFFFAOYSA-N 1 0 318.424 3.663 20 10 DHCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000773756939 1035439601 /nfs/dbraw/zinc/43/96/01/1035439601.db2.gz XRFCIXKEEYHBJN-UHFFFAOYSA-N 1 0 303.837 3.823 20 10 DHCDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](O)C(C)C ZINC001178958865 1035457781 /nfs/dbraw/zinc/45/77/81/1035457781.db2.gz RXRBJEAABXJEGY-DLBZAZTESA-N 1 0 323.477 3.583 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)OCC1CC1 ZINC001178966804 1035458071 /nfs/dbraw/zinc/45/80/71/1035458071.db2.gz OTQYVDCWFZXTSU-UHFFFAOYSA-N 1 0 300.446 3.782 20 10 DHCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCC(C)CC2)c(Cl)c1 ZINC001179148809 1035467387 /nfs/dbraw/zinc/46/73/87/1035467387.db2.gz WDIUPFMXJVJGDB-AWEZNQCLSA-N 1 0 310.869 3.564 20 10 DHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1 ZINC001179364727 1035475956 /nfs/dbraw/zinc/47/59/56/1035475956.db2.gz AUIWLFDRQRSXAF-QULHZPMSSA-N 1 0 316.489 3.951 20 10 DHCDRO c1cc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)cc2c1OCC2 ZINC001179386948 1035476601 /nfs/dbraw/zinc/47/66/01/1035476601.db2.gz WPWDNCGPSHGMMR-LJQANCHMSA-N 1 0 314.473 3.508 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)CCc1ccccc1 ZINC001179616330 1035486601 /nfs/dbraw/zinc/48/66/01/1035486601.db2.gz POYATIKGCJSQLQ-SFHVURJKSA-N 1 0 322.452 3.570 20 10 DHCDRO CCN(C)c1ccc(CN[C@H](COC)c2ccc(C)o2)cc1 ZINC000773832698 1035510398 /nfs/dbraw/zinc/51/03/98/1035510398.db2.gz AOAAHKZYRBWROS-QGZVFWFLSA-N 1 0 302.418 3.521 20 10 DHCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1c(C)nn(C)c1C ZINC000773833432 1035512145 /nfs/dbraw/zinc/51/21/45/1035512145.db2.gz DDMJNTTWBRQDDA-GOSISDBHSA-N 1 0 314.477 3.734 20 10 DHCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC(C)(C)O2)C2CC2)cc1 ZINC000775572909 1035572876 /nfs/dbraw/zinc/57/28/76/1035572876.db2.gz UXVFTQGEWKKSQN-SFHVURJKSA-N 1 0 302.462 3.675 20 10 DHCDRO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C(C)C)c(C)cc3O)C2)no1 ZINC000905685802 1035612456 /nfs/dbraw/zinc/61/24/56/1035612456.db2.gz XUHMCEGPXHMSHS-AWEZNQCLSA-N 1 0 315.417 3.505 20 10 DHCDRO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C(C)C)c(C)cc3O)C2)no1 ZINC000905685803 1035613993 /nfs/dbraw/zinc/61/39/93/1035613993.db2.gz XUHMCEGPXHMSHS-CQSZACIVSA-N 1 0 315.417 3.505 20 10 DHCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001193869888 1035762246 /nfs/dbraw/zinc/76/22/46/1035762246.db2.gz ALBXPSFKNMEIRG-IBGZPJMESA-N 1 0 304.478 3.924 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001181085936 1035824477 /nfs/dbraw/zinc/82/44/77/1035824477.db2.gz HZRSXKXDCWTJHU-AEFFLSMTSA-N 1 0 301.361 3.541 20 10 DHCDRO CCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC001181419304 1035904630 /nfs/dbraw/zinc/90/46/30/1035904630.db2.gz YVOBMYJTTBYGQK-SJLPKXTDSA-N 1 0 321.367 3.662 20 10 DHCDRO CCCN(CC1(CCCOC)CCC1)c1ccc(C[NH3+])cc1 ZINC001181454232 1035914462 /nfs/dbraw/zinc/91/44/62/1035914462.db2.gz CSVSIUWITYKOJG-UHFFFAOYSA-N 1 0 304.478 3.959 20 10 DHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000906585862 1036006804 /nfs/dbraw/zinc/00/68/04/1036006804.db2.gz AOLXLFCBJUKHAC-YMRXKLBXSA-N 1 0 301.361 3.747 20 10 DHCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC001181894238 1036037828 /nfs/dbraw/zinc/03/78/28/1036037828.db2.gz WQNMGLHNKUEEDB-HNNXBMFYSA-N 1 0 304.434 3.928 20 10 DHCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)o1 ZINC000775642250 1036157880 /nfs/dbraw/zinc/15/78/80/1036157880.db2.gz IQIXKXCHRUQWFP-UHFFFAOYSA-N 1 0 324.218 3.997 20 10 DHCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)c1O ZINC001182271605 1036162245 /nfs/dbraw/zinc/16/22/45/1036162245.db2.gz JFUOJHHFWMKXSO-AWEZNQCLSA-N 1 0 317.404 3.911 20 10 DHCDRO Cc1cc(CC[NH2+][C@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000774113155 1036172071 /nfs/dbraw/zinc/17/20/71/1036172071.db2.gz XTZOTMUGSFEAES-MRXNPFEDSA-N 1 0 322.456 3.721 20 10 DHCDRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000774135981 1036175266 /nfs/dbraw/zinc/17/52/66/1036175266.db2.gz DQGJFPWNNILMHP-BXWFABGCSA-N 1 0 316.489 3.999 20 10 DHCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC001182297742 1036192322 /nfs/dbraw/zinc/19/23/22/1036192322.db2.gz FZUAFZNONGNUSM-HNNXBMFYSA-N 1 0 307.434 3.858 20 10 DHCDRO Cc1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1O ZINC000775649301 1036215275 /nfs/dbraw/zinc/21/52/75/1036215275.db2.gz NXHLXBAMQFFUPU-UHFFFAOYSA-N 1 0 310.441 3.931 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000775658365 1036245327 /nfs/dbraw/zinc/24/53/27/1036245327.db2.gz LIYPRYOYQBPVIY-QGZVFWFLSA-N 1 0 315.388 3.747 20 10 DHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccn1C(F)F ZINC001182435268 1036294984 /nfs/dbraw/zinc/29/49/84/1036294984.db2.gz UDCUBGVXSQLMAV-AWEZNQCLSA-N 1 0 321.415 3.978 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1C ZINC000774381543 1036307641 /nfs/dbraw/zinc/30/76/41/1036307641.db2.gz YPRMSHQROYBRLU-DOTOQJQBSA-N 1 0 302.462 3.677 20 10 DHCDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)cc(O)c1O ZINC001204346725 1036387302 /nfs/dbraw/zinc/38/73/02/1036387302.db2.gz XDVLVXWIIKZPFL-LLVKDONJSA-N 1 0 321.804 3.953 20 10 DHCDRO CCc1cccc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC001182605866 1036410053 /nfs/dbraw/zinc/41/00/53/1036410053.db2.gz XQFFUHDZJRDBSJ-MRXNPFEDSA-N 1 0 321.461 3.658 20 10 DHCDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001182856165 1036469750 /nfs/dbraw/zinc/46/97/50/1036469750.db2.gz UDAPSNBRBUKUBI-RTBURBONSA-N 1 0 324.468 3.885 20 10 DHCDRO Cc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000775720243 1036546277 /nfs/dbraw/zinc/54/62/77/1036546277.db2.gz JPURWHKIGBBOII-HNNXBMFYSA-N 1 0 322.880 3.662 20 10 DHCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000775725675 1036562126 /nfs/dbraw/zinc/56/21/26/1036562126.db2.gz LHJBTVDYIFIMHQ-GFCCVEGCSA-N 1 0 310.235 3.695 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC000775727011 1036573452 /nfs/dbraw/zinc/57/34/52/1036573452.db2.gz DYSSNWJNUGZTFO-CZUORRHYSA-N 1 0 301.386 3.967 20 10 DHCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)c(O)c1 ZINC001183378823 1036590376 /nfs/dbraw/zinc/59/03/76/1036590376.db2.gz FOJHSNOLKGMDEP-FQEVSTJZSA-N 1 0 324.468 3.845 20 10 DHCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)c1 ZINC001183768767 1036662725 /nfs/dbraw/zinc/66/27/25/1036662725.db2.gz MJRHVDLQGQCOJO-UHFFFAOYSA-N 1 0 313.445 3.629 20 10 DHCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1O ZINC000153507871 1036687376 /nfs/dbraw/zinc/68/73/76/1036687376.db2.gz LCWUNABKJXYZFU-INIZCTEOSA-N 1 0 301.361 3.877 20 10 DHCDRO CCOc1cccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1O ZINC000762457505 1036774345 /nfs/dbraw/zinc/77/43/45/1036774345.db2.gz ROHXCNOXTIZGOX-UHFFFAOYSA-N 1 0 321.461 3.864 20 10 DHCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762649040 1036892517 /nfs/dbraw/zinc/89/25/17/1036892517.db2.gz KVDYIWAUQJNDBP-ZRZPHAQCSA-N 1 0 316.489 3.879 20 10 DHCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833823 1036988847 /nfs/dbraw/zinc/98/88/47/1036988847.db2.gz MVYGMWVDJUXYTH-QWHCGFSZSA-N 1 0 316.401 3.544 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1F ZINC000774830993 1037043881 /nfs/dbraw/zinc/04/38/81/1037043881.db2.gz ROQOTENNYNPIHH-MAUKXSAKSA-N 1 0 308.441 3.577 20 10 DHCDRO Cc1cc(O)c(C[NH2+]CC2(N(C)C)CCCCC2)c(Cl)c1 ZINC001198907945 1037169200 /nfs/dbraw/zinc/16/92/00/1037169200.db2.gz KDHAOWZQODKXQW-UHFFFAOYSA-N 1 0 310.869 3.708 20 10 DHCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1F ZINC001199077368 1037196309 /nfs/dbraw/zinc/19/63/09/1037196309.db2.gz FKSJPUATHYGURM-UHFFFAOYSA-N 1 0 314.404 3.724 20 10 DHCDRO Fc1ccccc1OCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001199085727 1037198176 /nfs/dbraw/zinc/19/81/76/1037198176.db2.gz NMSJNTABSRAVIT-UHFFFAOYSA-N 1 0 314.404 3.595 20 10 DHCDRO C=Cn1cc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000774953567 1037260054 /nfs/dbraw/zinc/26/00/54/1037260054.db2.gz KIIMXAUUWDNMBN-UHFFFAOYSA-N 1 0 320.440 3.723 20 10 DHCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000776014250 1037297931 /nfs/dbraw/zinc/29/79/31/1037297931.db2.gz QQNQWGWHDSWUSP-MFKMUULPSA-N 1 0 303.324 3.564 20 10 DHCDRO Cc1occc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776038080 1037398227 /nfs/dbraw/zinc/39/82/27/1037398227.db2.gz CNWODYHPYINXMY-UHFFFAOYSA-N 1 0 310.191 3.654 20 10 DHCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000152633141 1037473019 /nfs/dbraw/zinc/47/30/19/1037473019.db2.gz XAVKBEDHLOYSPQ-INIZCTEOSA-N 1 0 303.494 3.668 20 10 DHCDRO CCCN(Cc1cc(F)c(F)c(F)c1)c1ccc(C[NH3+])cc1 ZINC000775140621 1037705017 /nfs/dbraw/zinc/70/50/17/1037705017.db2.gz NLUFRGJXXACUOZ-UHFFFAOYSA-N 1 0 308.347 3.979 20 10 DHCDRO CN(C)c1ccc([C@H](CNc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC001187833431 1037744745 /nfs/dbraw/zinc/74/47/45/1037744745.db2.gz SLYSYKNULSWHBU-KRWDZBQOSA-N 1 0 324.428 3.609 20 10 DHCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@@H]1OC ZINC001201617255 1037814267 /nfs/dbraw/zinc/81/42/67/1037814267.db2.gz HBXRLIYDKQMPRB-IRXDYDNUSA-N 1 0 308.441 3.575 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)C2CCCCC2)c1O ZINC000776208303 1037887513 /nfs/dbraw/zinc/88/75/13/1037887513.db2.gz XECRRJVSZZOWTH-QGZVFWFLSA-N 1 0 311.853 3.775 20 10 DHCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1 ZINC001201842339 1037917937 /nfs/dbraw/zinc/91/79/37/1037917937.db2.gz JQFVSJGZSSFSIG-GOSISDBHSA-N 1 0 306.494 3.666 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000776224788 1037929986 /nfs/dbraw/zinc/92/99/86/1037929986.db2.gz VZMYREBSEFJSAX-FVQBIDKESA-N 1 0 309.837 3.647 20 10 DHCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000776224794 1037930857 /nfs/dbraw/zinc/93/08/57/1037930857.db2.gz VZMYREBSEFJSAX-NUEKZKHPSA-N 1 0 309.837 3.647 20 10 DHCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCCC1CCCCC1 ZINC000916833574 1037988957 /nfs/dbraw/zinc/98/89/57/1037988957.db2.gz UXAWARULMVAMOP-UHFFFAOYSA-N 1 0 316.489 3.973 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC001202184638 1038087891 /nfs/dbraw/zinc/08/78/91/1038087891.db2.gz RYCOCLHLZKHZGR-KRWDZBQOSA-N 1 0 314.473 3.765 20 10 DHCDRO COc1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1C ZINC001202185236 1038089220 /nfs/dbraw/zinc/08/92/20/1038089220.db2.gz ZZILHRWOPZNIQO-IBGZPJMESA-N 1 0 316.489 3.890 20 10 DHCDRO COc1ccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1C ZINC001202185238 1038090285 /nfs/dbraw/zinc/09/02/85/1038090285.db2.gz ZZILHRWOPZNIQO-LJQANCHMSA-N 1 0 316.489 3.890 20 10 DHCDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)n2c1 ZINC000775361200 1038273229 /nfs/dbraw/zinc/27/32/29/1038273229.db2.gz BEWJHVHMEVXQKY-OAHLLOKOSA-N 1 0 308.429 3.560 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000775368642 1038277658 /nfs/dbraw/zinc/27/76/58/1038277658.db2.gz CGZUHYPWWIQYCY-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO CCn1nccc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000156779689 1038284851 /nfs/dbraw/zinc/28/48/51/1038284851.db2.gz XBTZKWOOTRHNQO-UHFFFAOYSA-N 1 0 313.445 3.944 20 10 DHCDRO COCC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775373610 1038294169 /nfs/dbraw/zinc/29/41/69/1038294169.db2.gz VAIQIXHGDKXYFG-RDTXWAMCSA-N 1 0 315.413 3.829 20 10 DHCDRO Cc1cccc(CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC001190436966 1038315672 /nfs/dbraw/zinc/31/56/72/1038315672.db2.gz PTFPEPKHHZKLCZ-UHFFFAOYSA-N 1 0 311.473 3.909 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1O ZINC000775492219 1038565195 /nfs/dbraw/zinc/56/51/95/1038565195.db2.gz NPBKGVQORCLVPD-NVXWUHKLSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]CCCOc1ccccc1OC)c1ccccc1O ZINC000775497752 1038581064 /nfs/dbraw/zinc/58/10/64/1038581064.db2.gz DSYSLBDWKKFHBV-INIZCTEOSA-N 1 0 315.413 3.911 20 10 DHCDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1O ZINC000775511322 1038604752 /nfs/dbraw/zinc/60/47/52/1038604752.db2.gz DJXQDZROKZPOBP-SFHVURJKSA-N 1 0 316.420 3.704 20 10 DHCDRO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2cc(Cl)ccc2O)[nH]1 ZINC000775523863 1038635382 /nfs/dbraw/zinc/63/53/82/1038635382.db2.gz AHZPHGIFSLLGFP-BXKDBHETSA-N 1 0 308.813 3.528 20 10 DHCDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000775523734 1038635644 /nfs/dbraw/zinc/63/56/44/1038635644.db2.gz NACRORANAZKITM-HNNXBMFYSA-N 1 0 319.836 3.748 20 10 DHCDRO CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775524383 1038642407 /nfs/dbraw/zinc/64/24/07/1038642407.db2.gz OPXLMTOGXPHARU-JKSUJKDBSA-N 1 0 323.795 3.959 20 10 DHCDRO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cc(Cl)ccc1O ZINC000775531703 1038668216 /nfs/dbraw/zinc/66/82/16/1038668216.db2.gz MPNBXFKNBFSQBX-GOEBONIOSA-N 1 0 311.853 3.883 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)o2)c1 ZINC001192781328 1038699314 /nfs/dbraw/zinc/69/93/14/1038699314.db2.gz UVYKHYHYPPOCPO-CYBMUJFWSA-N 1 0 324.380 3.907 20 10 DHCDRO CCC[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000170779311 1038959352 /nfs/dbraw/zinc/95/93/52/1038959352.db2.gz JGKIUDRFEVZLRE-UHFFFAOYSA-N 1 0 323.396 3.854 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1C ZINC000760898137 1039036765 /nfs/dbraw/zinc/03/67/65/1039036765.db2.gz OTAAZKQLSPHFSS-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000230148085 1039722804 /nfs/dbraw/zinc/72/28/04/1039722804.db2.gz HOJDMIQWOJXCDK-LBPRGKRZSA-N 1 0 316.264 3.530 20 10 DHCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000172097105 1039739367 /nfs/dbraw/zinc/73/93/67/1039739367.db2.gz JJXMFVRVYJTHDF-GOSISDBHSA-N 1 0 324.468 3.759 20 10 DHCDRO CN(Cc1c(F)cccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223137 1040801765 /nfs/dbraw/zinc/80/17/65/1040801765.db2.gz ZHOINLKNCNDZNJ-UHFFFAOYSA-N 1 0 320.383 3.542 20 10 DHCDRO CCN(CCC[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000228792576 1041178273 /nfs/dbraw/zinc/17/82/73/1041178273.db2.gz KTGLHLAQGUGKHT-AWEZNQCLSA-N 1 0 322.449 3.690 20 10 DHCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000271587933 129939529 /nfs/dbraw/zinc/93/95/29/129939529.db2.gz XVYILHPOFZKALU-RYRKJORJSA-N 1 0 302.462 3.895 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1C ZINC000273297217 130104198 /nfs/dbraw/zinc/10/41/98/130104198.db2.gz AIKJDBBRBVOQRO-GUYCJALGSA-N 1 0 303.377 3.532 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273367321 130113110 /nfs/dbraw/zinc/11/31/10/130113110.db2.gz FIXGKVIYDVTOQC-INIZCTEOSA-N 1 0 321.424 3.796 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000273484308 130126305 /nfs/dbraw/zinc/12/63/05/130126305.db2.gz MWHXYMNWVKMHOS-BDJLRTHQSA-N 1 0 323.795 3.877 20 10 DHCDRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(F)ccc1O ZINC000273507105 130131163 /nfs/dbraw/zinc/13/11/63/130131163.db2.gz RDICXUDTOXUMJB-LBPRGKRZSA-N 1 0 317.360 3.543 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c(O)c1C ZINC000273558538 130136568 /nfs/dbraw/zinc/13/65/68/130136568.db2.gz HMVFTOZYMAXFMQ-CMPLNLGQSA-N 1 0 305.340 3.627 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(Br)ccc1O ZINC000273621534 130145321 /nfs/dbraw/zinc/14/53/21/130145321.db2.gz ZFAIVLGIQRLRRH-GXSJLCMTSA-N 1 0 316.264 3.701 20 10 DHCDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287693 130223143 /nfs/dbraw/zinc/22/31/43/130223143.db2.gz ZSUKYJNJRFNVGD-QWRGUYRKSA-N 1 0 317.458 3.843 20 10 DHCDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000274916805 130272938 /nfs/dbraw/zinc/27/29/38/130272938.db2.gz OLDSHYQZOUOQNA-GDBMZVCRSA-N 1 0 323.795 3.959 20 10 DHCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1 ZINC000284069367 131045866 /nfs/dbraw/zinc/04/58/66/131045866.db2.gz LEVCVHYVOZVHME-CXAGYDPISA-N 1 0 305.443 3.629 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287081558 131263094 /nfs/dbraw/zinc/26/30/94/131263094.db2.gz ORPICRFPZIMPFH-KBXCAEBGSA-N 1 0 316.420 3.793 20 10 DHCDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000287111460 131264475 /nfs/dbraw/zinc/26/44/75/131264475.db2.gz QPSIZIAAEJNKID-YVEFUNNKSA-N 1 0 320.383 3.624 20 10 DHCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293708842 131761474 /nfs/dbraw/zinc/76/14/74/131761474.db2.gz LVNCOFJNXFUGAE-HIFRSBDPSA-N 1 0 301.434 3.501 20 10 DHCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)CC2 ZINC000297355712 132012358 /nfs/dbraw/zinc/01/23/58/132012358.db2.gz PLCMAONXKCOBKB-ZDUSSCGKSA-N 1 0 322.330 3.626 20 10 DHCDRO Cc1csc(CCCC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000297875501 132038581 /nfs/dbraw/zinc/03/85/81/132038581.db2.gz UTWRZDAOTGIHEB-CQSZACIVSA-N 1 0 302.443 3.757 20 10 DHCDRO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000299541477 132110073 /nfs/dbraw/zinc/11/00/73/132110073.db2.gz AEHAAGRZIVAORS-UHFFFAOYSA-N 1 0 314.477 3.514 20 10 DHCDRO Cc1csc(C2([NH2+]Cc3ccc(N(C)C)cc3)CCC2)n1 ZINC000299588245 132112458 /nfs/dbraw/zinc/11/24/58/132112458.db2.gz JMGYOFUBQCJHNI-UHFFFAOYSA-N 1 0 301.459 3.687 20 10 DHCDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000176981892 332966470 /nfs/dbraw/zinc/96/64/70/332966470.db2.gz NLZWREZAWJTYKB-GFCCVEGCSA-N 1 0 313.376 3.540 20 10 DHCDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293955882 335116136 /nfs/dbraw/zinc/11/61/36/335116136.db2.gz PLOHXCXKOIYOAH-LJQANCHMSA-N 1 0 311.425 3.694 20 10 DHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000185397800 333208227 /nfs/dbraw/zinc/20/82/27/333208227.db2.gz HIPIMKGOAZHPLC-CQSZACIVSA-N 1 0 300.402 3.735 20 10 DHCDRO COCc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1F ZINC000185495502 333209303 /nfs/dbraw/zinc/20/93/03/333209303.db2.gz IVLJRHPYDIZTTF-CYBMUJFWSA-N 1 0 303.377 3.837 20 10 DHCDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000119860562 333261223 /nfs/dbraw/zinc/26/12/23/333261223.db2.gz UTRVGQWRZWGVKW-HNNXBMFYSA-N 1 0 303.494 3.666 20 10 DHCDRO COc1cccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)c1O ZINC000296042277 335140800 /nfs/dbraw/zinc/14/08/00/335140800.db2.gz OCCYZBOOTIJGOY-NSHDSACASA-N 1 0 307.340 3.572 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000296413524 335144169 /nfs/dbraw/zinc/14/41/69/335144169.db2.gz KZFWVFQQEFDVGY-HNNXBMFYSA-N 1 0 322.468 3.875 20 10 DHCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCCCC2)cc1 ZINC000296486461 335144349 /nfs/dbraw/zinc/14/43/49/335144349.db2.gz OMKAORSMCMLSFH-INIZCTEOSA-N 1 0 304.478 3.736 20 10 DHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C ZINC000296691355 335147612 /nfs/dbraw/zinc/14/76/12/335147612.db2.gz JVQQKNSCIGDJCV-AWEZNQCLSA-N 1 0 313.401 3.820 20 10 DHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282800580 334137071 /nfs/dbraw/zinc/13/70/71/334137071.db2.gz XCBFGAMDCLOJAP-IBGZPJMESA-N 1 0 314.473 3.726 20 10 DHCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)C3(C)CC3)cc2)CC1 ZINC000295079396 334217604 /nfs/dbraw/zinc/21/76/04/334217604.db2.gz RAOAFDQGWLRBSX-MRXNPFEDSA-N 1 0 316.489 3.922 20 10 DHCDRO CC[C@H]([NH2+]Cc1nc(C)n2c1CCCC2)c1ccc(C)cc1O ZINC000366881346 335280002 /nfs/dbraw/zinc/28/00/02/335280002.db2.gz RLLJRHOOUSDDAX-INIZCTEOSA-N 1 0 313.445 3.783 20 10 DHCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C)c1ccccc1O ZINC000360709354 336719858 /nfs/dbraw/zinc/71/98/58/336719858.db2.gz CJEWONZNIJAEOX-QMIHWGKISA-N 1 0 310.441 3.661 20 10 DHCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367955512 336833022 /nfs/dbraw/zinc/83/30/22/336833022.db2.gz IVSLRYUOTLLNQR-AEFFLSMTSA-N 1 0 301.361 3.541 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212361 336840300 /nfs/dbraw/zinc/84/03/00/336840300.db2.gz NAIQTOMNGVFCIQ-HZMBPMFUSA-N 1 0 305.324 3.763 20 10 DHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212362 336840304 /nfs/dbraw/zinc/84/03/04/336840304.db2.gz NAIQTOMNGVFCIQ-IINYFYTJSA-N 1 0 305.324 3.763 20 10 DHCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000371869299 336915137 /nfs/dbraw/zinc/91/51/37/336915137.db2.gz GCHYDGJDBBQCNR-BZNIZROVSA-N 1 0 317.360 3.714 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256592 337006640 /nfs/dbraw/zinc/00/66/40/337006640.db2.gz SUJQRTGGXMKBLT-UYAOXDASSA-N 1 0 309.409 3.975 20 10 DHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cnn1C(C)C ZINC000376958142 337044252 /nfs/dbraw/zinc/04/42/52/337044252.db2.gz NVDRHNHJQYVMRV-CQSZACIVSA-N 1 0 312.461 3.616 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000377348177 337050888 /nfs/dbraw/zinc/05/08/88/337050888.db2.gz WJFZXPBRMUBLRG-ZBFHGGJFSA-N 1 0 313.445 3.686 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000377348171 337050950 /nfs/dbraw/zinc/05/09/50/337050950.db2.gz WJFZXPBRMUBLRG-GDBMZVCRSA-N 1 0 313.445 3.686 20 10 DHCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377697534 337059068 /nfs/dbraw/zinc/05/90/68/337059068.db2.gz NPQSZUCXRLMYQA-SZVBFZGTSA-N 1 0 319.445 3.503 20 10 DHCDRO Cc1cccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000377870254 337063069 /nfs/dbraw/zinc/06/30/69/337063069.db2.gz TXWFEZKIEAHLIT-HNNXBMFYSA-N 1 0 307.397 3.737 20 10 DHCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000378032236 337065385 /nfs/dbraw/zinc/06/53/85/337065385.db2.gz AYIATBPECPUMMO-UHFFFAOYSA-N 1 0 309.837 3.875 20 10 DHCDRO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccccc1O ZINC000378617005 337076818 /nfs/dbraw/zinc/07/68/18/337076818.db2.gz AESTWOZWRSQHMS-CQSZACIVSA-N 1 0 307.397 3.644 20 10 DHCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)c1O ZINC000360091365 337085227 /nfs/dbraw/zinc/08/52/27/337085227.db2.gz CHRGRESGAMAIFT-SUMWQHHRSA-N 1 0 303.427 3.530 20 10 DHCDRO CC[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339148 337191413 /nfs/dbraw/zinc/19/14/13/337191413.db2.gz DLODATFYCJUOHX-WMLDXEAASA-N 1 0 322.412 3.775 20 10 DHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1O ZINC000183559703 337192350 /nfs/dbraw/zinc/19/23/50/337192350.db2.gz BOFTZZAABMILBJ-LSDHHAIUSA-N 1 0 307.397 3.990 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000186176373 337254205 /nfs/dbraw/zinc/25/42/05/337254205.db2.gz BMQRSHYFOAQEBT-MKBNYLNASA-N 1 0 301.361 3.747 20 10 DHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189380277 337279037 /nfs/dbraw/zinc/27/90/37/337279037.db2.gz KTMLZRWFHAABMU-CXAGYDPISA-N 1 0 313.397 3.884 20 10 DHCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1 ZINC000102432808 337386297 /nfs/dbraw/zinc/38/62/97/337386297.db2.gz CCQLXWSIVXYBNK-UHFFFAOYSA-N 1 0 314.404 3.593 20 10 DHCDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000248481850 337565548 /nfs/dbraw/zinc/56/55/48/337565548.db2.gz BMQRSHYFOAQEBT-MQIPJXDCSA-N 1 0 301.361 3.747 20 10 DHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248487116 337565601 /nfs/dbraw/zinc/56/56/01/337565601.db2.gz FZRQREJQATUFLP-LBTBCDHLSA-N 1 0 301.430 3.699 20 10 DHCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000251861079 337585653 /nfs/dbraw/zinc/58/56/53/337585653.db2.gz OEYKQTNUKVIIIG-QLIIJSOBSA-N 1 0 314.473 3.895 20 10 DHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1 ZINC000527964229 337780629 /nfs/dbraw/zinc/78/06/29/337780629.db2.gz UNGNMMITVUQEBH-AWEZNQCLSA-N 1 0 309.413 3.747 20 10 DHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1C ZINC000527967272 337781131 /nfs/dbraw/zinc/78/11/31/337781131.db2.gz XOFBWTPPHLTVBT-CQSZACIVSA-N 1 0 309.413 3.747 20 10 DHCDRO COc1ccc([C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C2CC2)cn1 ZINC000528041980 337785390 /nfs/dbraw/zinc/78/53/90/337785390.db2.gz BVIOEQJWISORRD-BEFAXECRSA-N 1 0 310.397 3.524 20 10 DHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000479458525 339536108 /nfs/dbraw/zinc/53/61/08/339536108.db2.gz VRIDMGBSTMDNLA-KRWDZBQOSA-N 1 0 300.446 3.922 20 10 DHCDRO CCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1O ZINC000236960861 340666789 /nfs/dbraw/zinc/66/67/89/340666789.db2.gz MACYTOJISFUFGQ-GFCCVEGCSA-N 1 0 319.376 3.789 20 10 DHCDRO Cc1n[nH]c(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271063459 518192208 /nfs/dbraw/zinc/19/22/08/518192208.db2.gz HWQSNQQMGXNYDV-UHFFFAOYSA-N 1 0 300.450 3.503 20 10 DHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160975294 520290614 /nfs/dbraw/zinc/29/06/14/520290614.db2.gz CQFFPMPEPYNLHX-OXJNMPFZSA-N 1 0 312.457 3.917 20 10 DHCDRO CCCOc1ccc(C[NH2+]Cc2ccccc2N(C)C)c(O)c1 ZINC000265854472 520368648 /nfs/dbraw/zinc/36/86/48/520368648.db2.gz KSWWRRGDUXNJAJ-UHFFFAOYSA-N 1 0 314.429 3.537 20 10 DHCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(CSC)c2)c1 ZINC000189482259 521152521 /nfs/dbraw/zinc/15/25/21/521152521.db2.gz HLHDCMFTFMFKCN-UHFFFAOYSA-N 1 0 317.454 3.944 20 10 DHCDRO CCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2F)c1O ZINC000189195091 521368691 /nfs/dbraw/zinc/36/86/91/521368691.db2.gz KVFXWLBHMGBNPQ-UHFFFAOYSA-N 1 0 309.768 3.873 20 10 DHCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)C2CC2)cc1OC ZINC000159652440 522773450 /nfs/dbraw/zinc/77/34/50/522773450.db2.gz FBFBSMVHNMEBNR-UHFFFAOYSA-N 1 0 313.397 3.574 20 10 DHCDRO CC[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000155865537 522936345 /nfs/dbraw/zinc/93/63/45/522936345.db2.gz FQUJIFFMWYXOOK-NJAPINKUSA-N 1 0 303.377 3.694 20 10 DHCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156389153 523155929 /nfs/dbraw/zinc/15/59/29/523155929.db2.gz QJKRWEJDFVNQER-LZQZEXGQSA-N 1 0 311.425 3.791 20 10 DHCDRO CCc1ccc([C@@H](COC)[NH2+][C@H](CC)c2ccccc2O)o1 ZINC000156014317 524032068 /nfs/dbraw/zinc/03/20/68/524032068.db2.gz ABXHBMIVYCPLFL-HZPDHXFCSA-N 1 0 303.402 3.976 20 10 DHCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000364886442 524388440 /nfs/dbraw/zinc/38/84/40/524388440.db2.gz SENNNQSPRWJZPD-LJQANCHMSA-N 1 0 323.440 3.570 20 10 DHCDRO Cc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000180471797 524403624 /nfs/dbraw/zinc/40/36/24/524403624.db2.gz ULZZCGOPXCBEHB-GOSISDBHSA-N 1 0 311.425 3.739 20 10 DHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157503765 525444490 /nfs/dbraw/zinc/44/44/90/525444490.db2.gz ZJHFBCLLEKGAQL-INIZCTEOSA-N 1 0 312.461 3.507 20 10 DHCDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000188758980 525454050 /nfs/dbraw/zinc/45/40/50/525454050.db2.gz URACGBSXXDDYCS-CQSZACIVSA-N 1 0 312.404 3.609 20 10 DHCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185453913 525488837 /nfs/dbraw/zinc/48/88/37/525488837.db2.gz CAJHFNCYZBIDKX-SJKOYZFVSA-N 1 0 305.805 3.604 20 10 DHCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000127138806 525573352 /nfs/dbraw/zinc/57/33/52/525573352.db2.gz DSTXDZWILKMAGD-DOTOQJQBSA-N 1 0 302.462 3.895 20 10 DHCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1O ZINC000186355254 525639706 /nfs/dbraw/zinc/63/97/06/525639706.db2.gz PLYMYSPTHOBIDY-SCTFDZSOSA-N 1 0 305.393 3.530 20 10 DHCDRO C[C@@H](O)[C@@](C)(C[NH2+][C@H](C)c1ccccc1O)Cc1ccccc1 ZINC000188914656 525855303 /nfs/dbraw/zinc/85/53/03/525855303.db2.gz CBZPGFPFLCVYDZ-JXXFODFXSA-N 1 0 313.441 3.673 20 10 DHCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000264987438 526365076 /nfs/dbraw/zinc/36/50/76/526365076.db2.gz WGDDETWOYRQMRJ-CQSZACIVSA-N 1 0 307.752 3.798 20 10 DHCDRO Cc1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c2n1CCCC2 ZINC000364910317 526890927 /nfs/dbraw/zinc/89/09/27/526890927.db2.gz YZQDNRHZSUEBOU-NSHDSACASA-N 1 0 319.836 3.738 20 10 DHCDRO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287319334 535912487 /nfs/dbraw/zinc/91/24/87/535912487.db2.gz DIEPMFUUKGWGBT-WBMJQRKESA-N 1 0 308.853 3.571 20 10 DHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864198 535943267 /nfs/dbraw/zinc/94/32/67/535943267.db2.gz NKPJJLPQIUBTFD-HIFRSBDPSA-N 1 0 314.433 3.512 20 10 DHCDRO