smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cnc2c(c1)CCC[C@H]2NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798931112 932820892 /nfs/dbraw/zinc/82/08/92/932820892.db2.gz HMMFPZJGZNLQLO-HSZRJFAPSA-N 1 3 376.548 3.781 20 10 GHCDHO Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755781909 1023376458 /nfs/dbraw/zinc/37/64/58/1023376458.db2.gz GIPXBYQEJQJZKS-WCRBZPEASA-N 1 3 385.596 3.741 20 10 GHCDHO Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755781909 1023376465 /nfs/dbraw/zinc/37/64/65/1023376465.db2.gz GIPXBYQEJQJZKS-WCRBZPEASA-N 1 3 385.596 3.741 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435180 1023646850 /nfs/dbraw/zinc/64/68/50/1023646850.db2.gz XPLAQHYCBZDHSG-FQEVSTJZSA-N 1 3 381.564 3.997 20 10 GHCDHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(O)c(O)c4)CC3)CC2)c1 ZINC001203878035 1027676292 /nfs/dbraw/zinc/67/62/92/1027676292.db2.gz OSYYGBOKJJPWMA-UHFFFAOYSA-N 1 3 396.531 3.985 20 10 GHCDHO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2)cc1 ZINC001219203236 1031304078 /nfs/dbraw/zinc/30/40/78/1031304078.db2.gz AJYXZFPPXCZGRB-YVSHKSEASA-N 1 3 394.563 3.921 20 10 GHCDHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586848 1034739303 /nfs/dbraw/zinc/73/93/03/1034739303.db2.gz MTKOEMRDTYKBOW-IBGZPJMESA-N 1 3 396.531 3.785 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092171 1040581181 /nfs/dbraw/zinc/58/11/81/1040581181.db2.gz GRAVOIRDFDELFG-UHFFFAOYSA-N 1 3 375.310 3.883 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092171 1040581200 /nfs/dbraw/zinc/58/12/00/1040581200.db2.gz GRAVOIRDFDELFG-UHFFFAOYSA-N 1 3 375.310 3.883 20 10 GHCDHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680111 1041144150 /nfs/dbraw/zinc/14/41/50/1041144150.db2.gz IDGQHGAQYRYDPW-GOSISDBHSA-N 1 3 388.552 3.539 20 10 GHCDHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235681799 1041148001 /nfs/dbraw/zinc/14/80/01/1041148001.db2.gz KYNRDVNWIVPYCD-URXFXBBRSA-N 1 3 386.580 3.870 20 10 GHCDHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235681799 1041148011 /nfs/dbraw/zinc/14/80/11/1041148011.db2.gz KYNRDVNWIVPYCD-URXFXBBRSA-N 1 3 386.580 3.870 20 10 GHCDHO CCOC(=O)c1c(CN2CCC(C3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001235704880 1041185128 /nfs/dbraw/zinc/18/51/28/1041185128.db2.gz BKOHSQYNKUOOOX-UHFFFAOYSA-N 1 3 383.536 3.567 20 10 GHCDHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001237462234 1042218183 /nfs/dbraw/zinc/21/81/83/1042218183.db2.gz HXXWCVQOBZQKKD-ZDUSSCGKSA-N 1 3 391.309 3.830 20 10 GHCDHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001237462234 1042218186 /nfs/dbraw/zinc/21/81/86/1042218186.db2.gz HXXWCVQOBZQKKD-ZDUSSCGKSA-N 1 3 391.309 3.830 20 10 GHCDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892580531 836741117 /nfs/dbraw/zinc/74/11/17/836741117.db2.gz LTCRASULUYPQJQ-QGZVFWFLSA-N 1 3 384.520 3.931 20 10 GHCDHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892580531 836741121 /nfs/dbraw/zinc/74/11/21/836741121.db2.gz LTCRASULUYPQJQ-QGZVFWFLSA-N 1 3 384.520 3.931 20 10 GHCDHO CCCN(CCC)c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000769523655 874130647 /nfs/dbraw/zinc/13/06/47/874130647.db2.gz CLVWGQUDNXIZLI-QPPBQGQZSA-N 1 3 386.628 3.771 20 10 GHCDHO CCN(CC)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000850357250 876846917 /nfs/dbraw/zinc/84/69/17/876846917.db2.gz CKGABAFLBGXACP-OAQYLSRUSA-N 1 3 385.527 3.528 20 10 GHCDHO CCN(CC)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000850357250 876846919 /nfs/dbraw/zinc/84/69/19/876846919.db2.gz CKGABAFLBGXACP-OAQYLSRUSA-N 1 3 385.527 3.528 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592377 878192228 /nfs/dbraw/zinc/19/22/28/878192228.db2.gz BTTDVGJCODTFLO-SFHVURJKSA-N 1 3 388.918 3.793 20 10 GHCDHO C[N@@H+]1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1(C)C ZINC000815623473 894054020 /nfs/dbraw/zinc/05/40/20/894054020.db2.gz YMXKKRGRXQFEMW-QFIPXVFZSA-N 1 3 381.564 3.682 20 10 GHCDHO C[N@H+]1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1(C)C ZINC000815623473 894054038 /nfs/dbraw/zinc/05/40/38/894054038.db2.gz YMXKKRGRXQFEMW-QFIPXVFZSA-N 1 3 381.564 3.682 20 10 GHCDHO c1cnc2c(c1)CCC[C@@H]2NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798931119 932821060 /nfs/dbraw/zinc/82/10/60/932821060.db2.gz HMMFPZJGZNLQLO-QHCPKHFHSA-N 1 3 376.548 3.781 20 10 GHCDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000800894284 1021346619 /nfs/dbraw/zinc/34/66/19/1021346619.db2.gz PVUURNHWJNMZRZ-XMMPIXPASA-N 1 3 393.575 3.914 20 10 GHCDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000800894284 1021346636 /nfs/dbraw/zinc/34/66/36/1021346636.db2.gz PVUURNHWJNMZRZ-XMMPIXPASA-N 1 3 393.575 3.914 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Cc4ccncc4)CC3)cc2)CC1 ZINC001140305539 1021360861 /nfs/dbraw/zinc/36/08/61/1021360861.db2.gz BIIFFWWXBQMYGN-UHFFFAOYSA-N 1 3 378.564 3.678 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309612 1021370441 /nfs/dbraw/zinc/37/04/41/1021370441.db2.gz NTEAGUOUYJUVMM-QFIPXVFZSA-N 1 3 377.532 3.533 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309612 1021370460 /nfs/dbraw/zinc/37/04/60/1021370460.db2.gz NTEAGUOUYJUVMM-QFIPXVFZSA-N 1 3 377.532 3.533 20 10 GHCDHO CN(C)c1ccc([C@H]([NH3+])CNC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000841045262 1028066873 /nfs/dbraw/zinc/06/68/73/1028066873.db2.gz JPUASIZMSBDELW-JOCHJYFZSA-N 1 3 386.971 3.660 20 10 GHCDHO CCOC(=O)c1c(CN(C)CC2CC[NH+](C(C)C)CC2)c2ccccc2n1C ZINC001233272381 1039038153 /nfs/dbraw/zinc/03/81/53/1039038153.db2.gz JCJIAABWGAHAAQ-UHFFFAOYSA-N 1 3 385.552 3.907 20 10 GHCDHO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235151783 1040642983 /nfs/dbraw/zinc/64/29/83/1040642983.db2.gz BHZJJGWCDGBRAG-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235151783 1040642994 /nfs/dbraw/zinc/64/29/94/1040642994.db2.gz BHZJJGWCDGBRAG-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010659 881873563 /nfs/dbraw/zinc/87/35/63/881873563.db2.gz PPMCYQRIYHIDLE-PMACEKPBSA-N 1 3 399.501 3.629 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001199335973 874934430 /nfs/dbraw/zinc/93/44/30/874934430.db2.gz FLGYEFCDIFHZDA-BQYQJAHWSA-N 1 3 392.591 3.693 20 10 GHCDHO CCN(CC)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000771819760 875494538 /nfs/dbraw/zinc/49/45/38/875494538.db2.gz SDSPDATVNKYKQY-DEOSSOPVSA-N 1 3 380.580 3.611 20 10 GHCDHO c1nc(C2CC2)c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000785508875 876080053 /nfs/dbraw/zinc/08/00/53/876080053.db2.gz YUZWKSXUWSNNDB-UHFFFAOYSA-N 1 3 382.577 3.842 20 10 GHCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406555 876888161 /nfs/dbraw/zinc/88/81/61/876888161.db2.gz LFRXAXXABNYTBI-NFBKMPQASA-N 1 3 393.575 3.790 20 10 GHCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406555 876888168 /nfs/dbraw/zinc/88/81/68/876888168.db2.gz LFRXAXXABNYTBI-NFBKMPQASA-N 1 3 393.575 3.790 20 10 GHCDHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648115 886615660 /nfs/dbraw/zinc/61/56/60/886615660.db2.gz HQBDDKJEQMYAGV-MOPGFXCFSA-N 1 3 377.548 3.968 20 10 GHCDHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648115 886615664 /nfs/dbraw/zinc/61/56/64/886615664.db2.gz HQBDDKJEQMYAGV-MOPGFXCFSA-N 1 3 377.548 3.968 20 10 GHCDHO Oc1cc(O)c(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC001172066197 905330924 /nfs/dbraw/zinc/33/09/24/905330924.db2.gz UTDMYHWOLYEXKG-OWZKRDHZSA-N 1 3 382.504 3.521 20 10 GHCDHO Oc1cc(O)c(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC001172066197 905330943 /nfs/dbraw/zinc/33/09/43/905330943.db2.gz UTDMYHWOLYEXKG-OWZKRDHZSA-N 1 3 382.504 3.521 20 10 GHCDHO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336871 912204768 /nfs/dbraw/zinc/20/47/68/912204768.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 1 3 397.538 3.616 20 10 GHCDHO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336871 912204799 /nfs/dbraw/zinc/20/47/99/912204799.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 1 3 397.538 3.616 20 10 GHCDHO Clc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2c(n1)CNCC2 ZINC001155640798 1032617897 /nfs/dbraw/zinc/61/78/97/1032617897.db2.gz MPBBAMJECJHXIJ-PYDOFHOQSA-N 1 3 398.982 3.780 20 10 GHCDHO Clc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2c(n1)CNCC2 ZINC001155640798 1032617906 /nfs/dbraw/zinc/61/79/06/1032617906.db2.gz MPBBAMJECJHXIJ-PYDOFHOQSA-N 1 3 398.982 3.780 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5O4)CC3)cc2)CC1 ZINC001140306065 1021362475 /nfs/dbraw/zinc/36/24/75/1021362475.db2.gz MYEUUZBNLMOIII-UHFFFAOYSA-N 1 3 391.559 3.798 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Sc4ccncc4)CC3)cc2)CC1 ZINC001140306423 1021363242 /nfs/dbraw/zinc/36/32/42/1021363242.db2.gz RMGBWOXNJWZQSD-UHFFFAOYSA-N 1 3 396.604 3.980 20 10 GHCDHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621831 1022094335 /nfs/dbraw/zinc/09/43/35/1022094335.db2.gz QYAJERZQHBBDGC-JOCHJYFZSA-N 1 3 395.547 3.599 20 10 GHCDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756551889 1023710233 /nfs/dbraw/zinc/71/02/33/1023710233.db2.gz YMFQPTXTWWYISY-YWZLYKJASA-N 1 3 384.495 3.826 20 10 GHCDHO CC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139253185 1026103729 /nfs/dbraw/zinc/10/37/29/1026103729.db2.gz PCOWTENJLCFGOZ-QGZVFWFLSA-N 1 3 386.536 3.924 20 10 GHCDHO CC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139253185 1026103734 /nfs/dbraw/zinc/10/37/34/1026103734.db2.gz PCOWTENJLCFGOZ-QGZVFWFLSA-N 1 3 386.536 3.924 20 10 GHCDHO COc1cc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259800 1026110281 /nfs/dbraw/zinc/11/02/81/1026110281.db2.gz BTDLVPYWTMSTSA-RTBURBONSA-N 1 3 397.563 3.557 20 10 GHCDHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000840882808 1027918634 /nfs/dbraw/zinc/91/86/34/1027918634.db2.gz AJEXVVLUGAFMTM-IBGZPJMESA-N 1 3 394.559 3.949 20 10 GHCDHO COc1cc(N(C)C)ccc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001231855679 1034945859 /nfs/dbraw/zinc/94/58/59/1034945859.db2.gz ZAKLYVLQQRLXHF-UHFFFAOYSA-N 1 3 379.548 3.859 20 10 GHCDHO CCOC(=O)c1c(CN2CCC3(CC2)CC[NH+](C)CC3)c2ccccc2n1C ZINC001233272972 1039041163 /nfs/dbraw/zinc/04/11/63/1039041163.db2.gz JCWFLFYDFHXMET-UHFFFAOYSA-N 1 3 383.536 3.663 20 10 GHCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001234518521 1040094628 /nfs/dbraw/zinc/09/46/28/1040094628.db2.gz LGGYETJMXSJGML-UHFFFAOYSA-N 1 3 398.547 3.878 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)CNCCO2 ZINC001235918409 1041429691 /nfs/dbraw/zinc/42/96/91/1041429691.db2.gz DQVOJTLWHQPZEG-HNNXBMFYSA-N 1 3 392.421 3.883 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)CNCCO2 ZINC001235918409 1041429697 /nfs/dbraw/zinc/42/96/97/1041429697.db2.gz DQVOJTLWHQPZEG-HNNXBMFYSA-N 1 3 392.421 3.883 20 10 GHCDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320479969 1055827601 /nfs/dbraw/zinc/82/76/01/1055827601.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 1 3 390.591 3.521 20 10 GHCDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320479969 1055827621 /nfs/dbraw/zinc/82/76/21/1055827621.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 1 3 390.591 3.521 20 10 GHCDHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848524370 1057148130 /nfs/dbraw/zinc/14/81/30/1057148130.db2.gz IHTPEDRPPKWYIF-CYBMUJFWSA-N 1 3 385.346 3.936 20 10 GHCDHO CC[NH+](CC)CC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768304127 873221635 /nfs/dbraw/zinc/22/16/35/873221635.db2.gz SHOSQGOXQBCYRT-UHFFFAOYSA-N 1 3 385.346 3.717 20 10 GHCDHO COc1ccc(N2CC[C@H](NC3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488065 876963803 /nfs/dbraw/zinc/96/38/03/876963803.db2.gz PSKATPAAXPPMSD-REWPJTCUSA-N 1 3 393.575 3.959 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566387 877033164 /nfs/dbraw/zinc/03/31/64/877033164.db2.gz NAXMBOBLOKCZIK-CPJSRVTESA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566387 877033173 /nfs/dbraw/zinc/03/31/73/877033173.db2.gz NAXMBOBLOKCZIK-CPJSRVTESA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000873247939 891550068 /nfs/dbraw/zinc/55/00/68/891550068.db2.gz WOWSPFJEKIJAST-SFHVURJKSA-N 1 3 390.535 3.567 20 10 GHCDHO CCN1CCN([C@H](C)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559855 893998154 /nfs/dbraw/zinc/99/81/54/893998154.db2.gz RMBHEAHMUCDPBO-NFBKMPQASA-N 1 3 381.564 3.682 20 10 GHCDHO CC[NH+]1CCC(N2CCC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)CC1 ZINC000817372740 895549432 /nfs/dbraw/zinc/54/94/32/895549432.db2.gz LQNAWITZFZIMTL-UHFFFAOYSA-N 1 3 397.563 3.546 20 10 GHCDHO CC[NH+]1CCC(N2CCC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)CC1 ZINC000817372740 895549436 /nfs/dbraw/zinc/54/94/36/895549436.db2.gz LQNAWITZFZIMTL-UHFFFAOYSA-N 1 3 397.563 3.546 20 10 GHCDHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898450 895952616 /nfs/dbraw/zinc/95/26/16/895952616.db2.gz GFNFDIZBPZZECW-DOTOQJQBSA-N 1 3 390.478 3.770 20 10 GHCDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900793 895954373 /nfs/dbraw/zinc/95/43/73/895954373.db2.gz SAIQPLMDNYOWHG-CDXJDZJCSA-N 1 3 389.490 3.805 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000130063153 896971665 /nfs/dbraw/zinc/97/16/65/896971665.db2.gz WIJWSTJYQBIZBQ-SFHVURJKSA-N 1 3 379.495 3.721 20 10 GHCDHO CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092856025 911868648 /nfs/dbraw/zinc/86/86/48/911868648.db2.gz FRHAGOHOLNLSOK-UHFFFAOYSA-N 1 3 381.568 3.529 20 10 GHCDHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584686 933647811 /nfs/dbraw/zinc/64/78/11/933647811.db2.gz JMCUECMVFTVKMY-IBGZPJMESA-N 1 3 393.575 3.869 20 10 GHCDHO COc1cc(CN2CC[C@H](Sc3ccc(F)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139258929 1026109895 /nfs/dbraw/zinc/10/98/95/1026109895.db2.gz BDQYUBFXYXBNOR-IBGZPJMESA-N 1 3 390.524 3.968 20 10 GHCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CN(Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491405 1027378546 /nfs/dbraw/zinc/37/85/46/1027378546.db2.gz KEIWAGGVBXZYSD-QHCPKHFHSA-N 1 3 392.591 3.581 20 10 GHCDHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920442 1029686128 /nfs/dbraw/zinc/68/61/28/1029686128.db2.gz IOKFJUCNCOBBTE-BWAGFHJFSA-N 1 3 397.538 3.658 20 10 GHCDHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920442 1029686137 /nfs/dbraw/zinc/68/61/37/1029686137.db2.gz IOKFJUCNCOBBTE-BWAGFHJFSA-N 1 3 397.538 3.658 20 10 GHCDHO Cc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c([O-])cc1Br ZINC001206760271 1033973379 /nfs/dbraw/zinc/97/33/79/1033973379.db2.gz CAQNYBKTZSPEIC-UHFFFAOYSA-N 1 3 389.337 3.956 20 10 GHCDHO C[NH+]1CCC(CCN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001207488052 1034395408 /nfs/dbraw/zinc/39/54/08/1034395408.db2.gz DFHLWQCWRKXSTH-UHFFFAOYSA-N 1 3 394.563 3.515 20 10 GHCDHO COc1ccc(Br)c(CN(C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001231553064 1034705602 /nfs/dbraw/zinc/70/56/02/1034705602.db2.gz PDWYZYNFNPMCAH-UHFFFAOYSA-N 1 3 385.346 3.716 20 10 GHCDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005276 891220870 /nfs/dbraw/zinc/22/08/70/891220870.db2.gz XGNLJXHMGWYSKT-SFHVURJKSA-N 1 3 385.527 3.965 20 10 GHCDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005276 891220887 /nfs/dbraw/zinc/22/08/87/891220887.db2.gz XGNLJXHMGWYSKT-SFHVURJKSA-N 1 3 385.527 3.965 20 10 GHCDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898453 895952304 /nfs/dbraw/zinc/95/23/04/895952304.db2.gz GFNFDIZBPZZECW-WBVHZDCISA-N 1 3 390.478 3.770 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287498 927035211 /nfs/dbraw/zinc/03/52/11/927035211.db2.gz OHRXMODTVYVHAY-YKSBVNFPSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287498 927035224 /nfs/dbraw/zinc/03/52/24/927035224.db2.gz OHRXMODTVYVHAY-YKSBVNFPSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640335 929754929 /nfs/dbraw/zinc/75/49/29/929754929.db2.gz RZUVCZJZOCVIEC-MOXGXCLJSA-N 1 3 384.495 3.826 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640335 929754934 /nfs/dbraw/zinc/75/49/34/929754934.db2.gz RZUVCZJZOCVIEC-MOXGXCLJSA-N 1 3 384.495 3.826 20 10 GHCDHO C[NH+]1CCC2(CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000798956637 932838351 /nfs/dbraw/zinc/83/83/51/932838351.db2.gz HQLRPEHUOAILRL-UHFFFAOYSA-N 1 3 386.540 3.893 20 10 GHCDHO COc1ccccc1CC1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256202 1026106185 /nfs/dbraw/zinc/10/61/85/1026106185.db2.gz WXDHQJITSUNUNM-UHFFFAOYSA-N 1 3 398.547 3.926 20 10 GHCDHO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841099800 1028134878 /nfs/dbraw/zinc/13/48/78/1028134878.db2.gz PDRHLGDLUOHLMH-ISKFKSNPSA-N 1 3 396.531 3.690 20 10 GHCDHO COc1cc(N(C)C)ccc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001231853517 1034943679 /nfs/dbraw/zinc/94/36/79/1034943679.db2.gz XOVTVUIIFRNIMC-UHFFFAOYSA-N 1 3 394.563 3.644 20 10 GHCDHO COc1cc(N(C)C)ccc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001231853517 1034943681 /nfs/dbraw/zinc/94/36/81/1034943681.db2.gz XOVTVUIIFRNIMC-UHFFFAOYSA-N 1 3 394.563 3.644 20 10 GHCDHO CCOC(=O)c1c(CN2CCC(C3CC[NH+](C)CC3)CC2)c2ccccc2n1C ZINC001233272682 1039040928 /nfs/dbraw/zinc/04/09/28/1039040928.db2.gz VVYNTJVHRJHBNZ-UHFFFAOYSA-N 1 3 397.563 3.909 20 10 GHCDHO Oc1c(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235376304 1040887578 /nfs/dbraw/zinc/88/75/78/1040887578.db2.gz DGYOJBXYSJANQY-XLIONFOSSA-N 1 3 392.421 3.870 20 10 GHCDHO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001255398348 1040984296 /nfs/dbraw/zinc/98/42/96/1040984296.db2.gz JSJMKTBYTSQVBC-JOCHJYFZSA-N 1 3 379.548 3.872 20 10 GHCDHO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856560415 881441004 /nfs/dbraw/zinc/44/10/04/881441004.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 1 3 399.535 3.679 20 10 GHCDHO CCOc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856560415 881441013 /nfs/dbraw/zinc/44/10/13/881441013.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 1 3 399.535 3.679 20 10 GHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000161161918 859657449 /nfs/dbraw/zinc/65/74/49/859657449.db2.gz YZFMLZUJTPTHPI-LJQANCHMSA-N 1 3 381.564 3.950 20 10 GHCDHO CCN(C)c1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161161918 859657452 /nfs/dbraw/zinc/65/74/52/859657452.db2.gz YZFMLZUJTPTHPI-LJQANCHMSA-N 1 3 381.564 3.950 20 10 GHCDHO C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3[O-])C2)CC1 ZINC000815579400 894018540 /nfs/dbraw/zinc/01/85/40/894018540.db2.gz MIQGMRPYOZKXDM-ZJSXRUAMSA-N 1 3 393.575 3.824 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778643771 897841408 /nfs/dbraw/zinc/84/14/08/897841408.db2.gz WIOJERSTNKTZSH-DENIHFKCSA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090937126 910704655 /nfs/dbraw/zinc/70/46/55/910704655.db2.gz JPECVUPVDMYVGC-IBGZPJMESA-N 1 3 382.552 3.863 20 10 GHCDHO COc1cc([O-])c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301125 /nfs/dbraw/zinc/30/11/25/1023301125.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301136 /nfs/dbraw/zinc/30/11/36/1023301136.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301146 /nfs/dbraw/zinc/30/11/46/1023301146.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301158 /nfs/dbraw/zinc/30/11/58/1023301158.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 1 3 396.531 3.753 20 10 GHCDHO C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606900 1023735076 /nfs/dbraw/zinc/73/50/76/1023735076.db2.gz FJUJFNMQPQKVPD-WMZOPIPTSA-N 1 3 375.532 3.620 20 10 GHCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(O)c1C ZINC000756731825 1023792167 /nfs/dbraw/zinc/79/21/67/1023792167.db2.gz DTIREDPJIOCIHS-LJQANCHMSA-N 1 3 395.547 3.685 20 10 GHCDHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235744 1069455406 /nfs/dbraw/zinc/45/54/06/1069455406.db2.gz ZGBPZNGKEDVHOL-IRXDYDNUSA-N 1 3 378.557 3.677 20 10 GHCDHO CN(C)c1ccc([C@H]([NH3+])CNC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000841045256 1028067920 /nfs/dbraw/zinc/06/79/20/1028067920.db2.gz JLPRNJOQKWAJKF-JOCHJYFZSA-N 1 3 386.971 3.660 20 10 GHCDHO O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235693411 1041169235 /nfs/dbraw/zinc/16/92/35/1041169235.db2.gz AUDSBDCQUFTXHZ-UHFFFAOYSA-N 1 3 397.950 3.845 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875561 /nfs/dbraw/zinc/87/55/61/1041875561.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875568 /nfs/dbraw/zinc/87/55/68/1041875568.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084680 /nfs/dbraw/zinc/08/46/80/1050084680.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084684 /nfs/dbraw/zinc/08/46/84/1050084684.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000155125447 836437466 /nfs/dbraw/zinc/43/74/66/836437466.db2.gz BUTBBCZDDZUEEV-SFHVURJKSA-N 1 3 398.389 3.613 20 10 GHCDHO COc1cc(CNCc2ccccc2OCC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850098946 876663746 /nfs/dbraw/zinc/66/37/46/876663746.db2.gz BMPKCOHXTRLFOE-UHFFFAOYSA-N 1 3 386.536 3.929 20 10 GHCDHO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126663030 893769468 /nfs/dbraw/zinc/76/94/68/893769468.db2.gz SDFRDNUIGHQYIZ-FQEVSTJZSA-N 1 3 380.580 3.741 20 10 GHCDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000134161757 899704610 /nfs/dbraw/zinc/70/46/10/899704610.db2.gz BHZDPROHVIYUJV-UHFFFAOYSA-N 1 3 377.548 3.606 20 10 GHCDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000134161757 899704624 /nfs/dbraw/zinc/70/46/24/899704624.db2.gz BHZDPROHVIYUJV-UHFFFAOYSA-N 1 3 377.548 3.606 20 10 GHCDHO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146480 928049400 /nfs/dbraw/zinc/04/94/00/928049400.db2.gz HMKMMVSXFRPWFY-NZQKXSOJSA-N 1 3 379.548 3.666 20 10 GHCDHO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146480 928049415 /nfs/dbraw/zinc/04/94/15/928049415.db2.gz HMKMMVSXFRPWFY-NZQKXSOJSA-N 1 3 379.548 3.666 20 10 GHCDHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235741 1069455533 /nfs/dbraw/zinc/45/55/33/1069455533.db2.gz ZGBPZNGKEDVHOL-IAGOWNOFSA-N 1 3 378.557 3.677 20 10 GHCDHO CN(C)c1ccc([C@@H]([NH3+])CNC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000841045257 1028066425 /nfs/dbraw/zinc/06/64/25/1028066425.db2.gz JLPRNJOQKWAJKF-QFIPXVFZSA-N 1 3 386.971 3.660 20 10 GHCDHO CN1CCCc2cc(CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360407 1040842897 /nfs/dbraw/zinc/84/28/97/1040842897.db2.gz BVMXBWXDECSMTA-UKILVPOCSA-N 1 3 375.560 3.822 20 10 GHCDHO Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001235839729 1041369092 /nfs/dbraw/zinc/36/90/92/1041369092.db2.gz WHWLVRUBUIWSHB-MRXNPFEDSA-N 1 3 377.941 3.854 20 10 GHCDHO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378746 /nfs/dbraw/zinc/37/87/46/1074378746.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378754 /nfs/dbraw/zinc/37/87/54/1074378754.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 1 3 384.520 3.894 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592365 878192495 /nfs/dbraw/zinc/19/24/95/878192495.db2.gz BTTDVGJCODTFLO-GOSISDBHSA-N 1 3 388.918 3.793 20 10 GHCDHO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617807 /nfs/dbraw/zinc/61/78/07/878617807.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1cc(O)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617818 /nfs/dbraw/zinc/61/78/18/878617818.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 1 3 384.520 3.894 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778643773 897842067 /nfs/dbraw/zinc/84/20/67/897842067.db2.gz WIOJERSTNKTZSH-SIKLNZKXSA-N 1 3 397.538 3.663 20 10 GHCDHO CN(Cc1cccs1)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000295581431 917366629 /nfs/dbraw/zinc/36/66/29/917366629.db2.gz DPNDEZHMIWULMM-FQEVSTJZSA-N 1 3 399.604 3.975 20 10 GHCDHO [NH3+]CCCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000902327080 922092110 /nfs/dbraw/zinc/09/21/10/922092110.db2.gz CZTRHFUBHNBEEM-QFIPXVFZSA-N 1 3 389.490 3.761 20 10 GHCDHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnn1C1CCC1 ZINC000925678499 931874745 /nfs/dbraw/zinc/87/47/45/931874745.db2.gz VHIJMUYHORBOTC-LJQANCHMSA-N 1 3 393.579 3.991 20 10 GHCDHO C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1)C1CCOCC1 ZINC000834562117 1021273265 /nfs/dbraw/zinc/27/32/65/1021273265.db2.gz CPTDJGSVGFQDJQ-JOCHJYFZSA-N 1 3 396.531 3.659 20 10 GHCDHO C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1)C1CCOCC1 ZINC000834562117 1021273271 /nfs/dbraw/zinc/27/32/71/1021273271.db2.gz CPTDJGSVGFQDJQ-JOCHJYFZSA-N 1 3 396.531 3.659 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309478 1021370709 /nfs/dbraw/zinc/37/07/09/1021370709.db2.gz HXCKQOMUVHQZNC-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309478 1021370726 /nfs/dbraw/zinc/37/07/26/1021370726.db2.gz HXCKQOMUVHQZNC-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO CC[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259226 1026110497 /nfs/dbraw/zinc/11/04/97/1026110497.db2.gz NMRLHTZAMCVSHU-QFIPXVFZSA-N 1 3 397.563 3.559 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)C1 ZINC000841103780 1028140249 /nfs/dbraw/zinc/14/02/49/1028140249.db2.gz JRRFHWLHABSPEO-ZJSXRUAMSA-N 1 3 396.531 3.690 20 10 GHCDHO COc1cc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632786 1034793736 /nfs/dbraw/zinc/79/37/36/1034793736.db2.gz DCIQQNWGULBLRN-OAQYLSRUSA-N 1 3 386.492 3.576 20 10 GHCDHO Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001278491254 1038313238 /nfs/dbraw/zinc/31/32/38/1038313238.db2.gz SCASDASPXAIMRE-UHFFFAOYSA-N 1 3 377.941 3.909 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)CNCCO2 ZINC001235712689 1041194254 /nfs/dbraw/zinc/19/42/54/1041194254.db2.gz NFQWDUCYTDLKCJ-OAHLLOKOSA-N 1 3 392.421 3.883 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)CNCCO2 ZINC001235712689 1041194262 /nfs/dbraw/zinc/19/42/62/1041194262.db2.gz NFQWDUCYTDLKCJ-OAHLLOKOSA-N 1 3 392.421 3.883 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236729445 1041861533 /nfs/dbraw/zinc/86/15/33/1041861533.db2.gz UCKFOXFQAKPQGO-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236729445 1041861537 /nfs/dbraw/zinc/86/15/37/1041861537.db2.gz UCKFOXFQAKPQGO-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875251 /nfs/dbraw/zinc/87/52/51/1041875251.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875258 /nfs/dbraw/zinc/87/52/58/1041875258.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3[O-])C[C@H]2CC1 ZINC001279197069 1047740247 /nfs/dbraw/zinc/74/02/47/1047740247.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 1 3 375.513 3.640 20 10 GHCDHO Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3[O-])C[C@H]2CC1 ZINC001279197069 1047740250 /nfs/dbraw/zinc/74/02/50/1047740250.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 1 3 375.513 3.640 20 10 GHCDHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CC1 ZINC001279197069 1047740257 /nfs/dbraw/zinc/74/02/57/1047740257.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 1 3 375.513 3.640 20 10 GHCDHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CC1 ZINC001279197069 1047740262 /nfs/dbraw/zinc/74/02/62/1047740262.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 1 3 375.513 3.640 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001337785723 1058262165 /nfs/dbraw/zinc/26/21/65/1058262165.db2.gz QSLSVQAJFKVORK-RXVVDRJESA-N 1 3 379.548 3.786 20 10 GHCDHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685625 1074514406 /nfs/dbraw/zinc/51/44/06/1074514406.db2.gz WLFDGXDKPDZNNH-URXFXBBRSA-N 1 3 392.591 3.581 20 10 GHCDHO CCCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1O ZINC000068973637 879332745 /nfs/dbraw/zinc/33/27/45/879332745.db2.gz RFOQKXMTKQWNNM-UHFFFAOYSA-N 1 3 395.547 3.516 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCN(Cc1ccccc1)C3)OCO2 ZINC000747466219 886144543 /nfs/dbraw/zinc/14/45/43/886144543.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 1 3 380.488 3.609 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCN(Cc1ccccc1)C3)OCO2 ZINC000747466219 886144551 /nfs/dbraw/zinc/14/45/51/886144551.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 1 3 380.488 3.609 20 10 GHCDHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000808719148 886702477 /nfs/dbraw/zinc/70/24/77/886702477.db2.gz DEHFNUSJGCCOPI-KRWDZBQOSA-N 1 3 383.536 3.847 20 10 GHCDHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000773143675 904483550 /nfs/dbraw/zinc/48/35/50/904483550.db2.gz CBLPFKSUEFHDCA-GOSISDBHSA-N 1 3 394.519 3.978 20 10 GHCDHO COc1cc(Cl)cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1[O-] ZINC000285064995 912144056 /nfs/dbraw/zinc/14/40/56/912144056.db2.gz LRZXWSGXTVJCBL-UHFFFAOYSA-N 1 3 390.911 3.817 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287497 927036194 /nfs/dbraw/zinc/03/61/94/927036194.db2.gz OHRXMODTVYVHAY-RDPSFJRHSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287497 927036206 /nfs/dbraw/zinc/03/62/06/927036206.db2.gz OHRXMODTVYVHAY-RDPSFJRHSA-N 1 3 379.548 3.523 20 10 GHCDHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)ccc1N1CCCCC1 ZINC000828861516 935729908 /nfs/dbraw/zinc/72/99/08/935729908.db2.gz QRRYLGMUIKOWEG-UHFFFAOYSA-N 1 3 398.639 3.835 20 10 GHCDHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054215 1026834407 /nfs/dbraw/zinc/83/44/07/1026834407.db2.gz MDCUVZIVLBVRJI-NRFANRHFSA-N 1 3 384.495 3.787 20 10 GHCDHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054215 1026834419 /nfs/dbraw/zinc/83/44/19/1026834419.db2.gz MDCUVZIVLBVRJI-NRFANRHFSA-N 1 3 384.495 3.787 20 10 GHCDHO C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000840883987 1027921292 /nfs/dbraw/zinc/92/12/92/1027921292.db2.gz IHDRPFCOVZQOIL-LPHOPBHVSA-N 1 3 384.495 3.696 20 10 GHCDHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588025 1034742008 /nfs/dbraw/zinc/74/20/08/1034742008.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588025 1034742024 /nfs/dbraw/zinc/74/20/24/1034742024.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588025 1034742039 /nfs/dbraw/zinc/74/20/39/1034742039.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588025 1034742054 /nfs/dbraw/zinc/74/20/54/1034742054.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 1 3 380.532 3.726 20 10 GHCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935175 1035101098 /nfs/dbraw/zinc/10/10/98/1035101098.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 1 3 393.575 3.867 20 10 GHCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935175 1035101103 /nfs/dbraw/zinc/10/11/03/1035101103.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 1 3 393.575 3.867 20 10 GHCDHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963437 /nfs/dbraw/zinc/96/34/37/1038963437.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 1 3 375.310 3.691 20 10 GHCDHO C[N@H+]1CC[C@@H]2C[NH+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963440 /nfs/dbraw/zinc/96/34/40/1038963440.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 1 3 375.310 3.691 20 10 GHCDHO C[NH+]1CC[C@@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963444 /nfs/dbraw/zinc/96/34/44/1038963444.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 1 3 375.310 3.691 20 10 GHCDHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963447 /nfs/dbraw/zinc/96/34/47/1038963447.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 1 3 375.310 3.691 20 10 GHCDHO CCOC(=O)c1c(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c2ccccc2n1C ZINC001235240398 1040721835 /nfs/dbraw/zinc/72/18/35/1040721835.db2.gz MQPHMXZDFIVABT-FQEVSTJZSA-N 1 3 383.536 3.709 20 10 GHCDHO Oc1c(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235354320 1040832264 /nfs/dbraw/zinc/83/22/64/1040832264.db2.gz DGYOJBXYSJANQY-YLJYHZDGSA-N 1 3 392.421 3.870 20 10 GHCDHO COc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1C ZINC000237264097 843923910 /nfs/dbraw/zinc/92/39/10/843923910.db2.gz IKHSWWZKRDOEEV-UHFFFAOYSA-N 1 3 398.547 3.783 20 10 GHCDHO COc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1C ZINC000237264097 843923915 /nfs/dbraw/zinc/92/39/15/843923915.db2.gz IKHSWWZKRDOEEV-UHFFFAOYSA-N 1 3 398.547 3.783 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010660 881874159 /nfs/dbraw/zinc/87/41/59/881874159.db2.gz PPMCYQRIYHIDLE-UXHICEINSA-N 1 3 399.501 3.629 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897924 895954340 /nfs/dbraw/zinc/95/43/40/895954340.db2.gz AUFYLCLEDJQFDU-KCUHQSDYSA-N 1 3 379.495 3.767 20 10 GHCDHO C[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000817984768 895992775 /nfs/dbraw/zinc/99/27/75/895992775.db2.gz ZMRUMZHMGGEPGE-LPHOPBHVSA-N 1 3 383.511 3.663 20 10 GHCDHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090937127 910704441 /nfs/dbraw/zinc/70/44/41/910704441.db2.gz JPECVUPVDMYVGC-LJQANCHMSA-N 1 3 382.552 3.863 20 10 GHCDHO C[NH+]1CCC(N2CCC([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])CC2)CC1 ZINC000725850145 926467399 /nfs/dbraw/zinc/46/73/99/926467399.db2.gz NPWIFBQJLSNONN-UHFFFAOYSA-N 1 3 379.548 3.707 20 10 GHCDHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C2CCC2)c1 ZINC000925675946 931872482 /nfs/dbraw/zinc/87/24/82/931872482.db2.gz IHWFPJAALATRCU-IBGZPJMESA-N 1 3 393.579 3.991 20 10 GHCDHO COc1cc([O-])c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301606 /nfs/dbraw/zinc/30/16/06/1023301606.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301613 /nfs/dbraw/zinc/30/16/13/1023301613.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301618 /nfs/dbraw/zinc/30/16/18/1023301618.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301627 /nfs/dbraw/zinc/30/16/27/1023301627.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 1 3 396.531 3.753 20 10 GHCDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756551880 1023710464 /nfs/dbraw/zinc/71/04/64/1023710464.db2.gz YMFQPTXTWWYISY-MGPUTAFESA-N 1 3 384.495 3.826 20 10 GHCDHO CN1CCCc2cc(C[NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)ccc21 ZINC001138356204 1024720989 /nfs/dbraw/zinc/72/09/89/1024720989.db2.gz FDJQFYZPWOVSFJ-UHFFFAOYSA-N 1 3 390.575 3.952 20 10 GHCDHO c1ccc(CN2CC3(C2)CC[NH+](Cc2ccc(N4CCOCC4)cc2)CC3)cc1 ZINC001138499236 1024931938 /nfs/dbraw/zinc/93/19/38/1024931938.db2.gz FYSMKCBNDCHONY-UHFFFAOYSA-N 1 3 391.559 3.621 20 10 GHCDHO COc1cc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139252856 1026102685 /nfs/dbraw/zinc/10/26/85/1026102685.db2.gz BTDLVPYWTMSTSA-MOPGFXCFSA-N 1 3 397.563 3.557 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3ccc([C@H]4CCC[NH2+]4)cc3)CC2)cc1 ZINC001164334143 1026489200 /nfs/dbraw/zinc/48/92/00/1026489200.db2.gz ORFSLIXFBZSIMM-XMMPIXPASA-N 1 3 394.563 3.744 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3ccc([C@@H]4CCC[NH2+]4)cc3)CC2)cc1 ZINC001164334142 1026489576 /nfs/dbraw/zinc/48/95/76/1026489576.db2.gz ORFSLIXFBZSIMM-DEOSSOPVSA-N 1 3 394.563 3.744 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)CNCCO2 ZINC001235712688 1041193831 /nfs/dbraw/zinc/19/38/31/1041193831.db2.gz NFQWDUCYTDLKCJ-HNNXBMFYSA-N 1 3 392.421 3.883 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)CNCCO2 ZINC001235712688 1041193836 /nfs/dbraw/zinc/19/38/36/1041193836.db2.gz NFQWDUCYTDLKCJ-HNNXBMFYSA-N 1 3 392.421 3.883 20 10 GHCDHO CN(Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001237044437 1042003791 /nfs/dbraw/zinc/00/37/91/1042003791.db2.gz WGGXURXQMDWIPJ-UHFFFAOYSA-N 1 3 379.426 3.627 20 10 GHCDHO CC(C)(C)[NH+]1CCC(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC1 ZINC001256563688 1043538108 /nfs/dbraw/zinc/53/81/08/1043538108.db2.gz FGNUGLJNQHKUBQ-FGZHOGPDSA-N 1 3 383.536 3.691 20 10 GHCDHO CCN(Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160326695 838293896 /nfs/dbraw/zinc/29/38/96/838293896.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 1 3 384.520 3.753 20 10 GHCDHO CCN(Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160326695 838293906 /nfs/dbraw/zinc/29/39/06/838293906.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 1 3 384.520 3.753 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850849 855659473 /nfs/dbraw/zinc/65/94/73/855659473.db2.gz BWLCJPAVYZAPLN-INIZCTEOSA-N 1 3 389.490 3.966 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566390 877033031 /nfs/dbraw/zinc/03/30/31/877033031.db2.gz NAXMBOBLOKCZIK-NLFFAJNJSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566390 877033043 /nfs/dbraw/zinc/03/30/43/877033043.db2.gz NAXMBOBLOKCZIK-NLFFAJNJSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850567476 877035070 /nfs/dbraw/zinc/03/50/70/877035070.db2.gz CXBIABSSHDDDAL-NZQKXSOJSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567476 877035086 /nfs/dbraw/zinc/03/50/86/877035086.db2.gz CXBIABSSHDDDAL-NZQKXSOJSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567476 877035101 /nfs/dbraw/zinc/03/51/01/877035101.db2.gz CXBIABSSHDDDAL-NZQKXSOJSA-N 1 3 393.575 3.648 20 10 GHCDHO Cc1cc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000760286690 893153788 /nfs/dbraw/zinc/15/37/88/893153788.db2.gz WHEKNVBESIHDQF-UHFFFAOYSA-N 1 3 387.612 3.989 20 10 GHCDHO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000824331961 899559843 /nfs/dbraw/zinc/55/98/43/899559843.db2.gz BWCGFYPPAOBZTL-UHFFFAOYSA-N 1 3 386.609 3.500 20 10 GHCDHO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000799346711 932960802 /nfs/dbraw/zinc/96/08/02/932960802.db2.gz QBMHLFYSRHUESZ-UHFFFAOYSA-N 1 3 394.607 3.829 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](Cc3ccccc3)CC(C)(C)O)cc2)CC1 ZINC001140306191 1021362664 /nfs/dbraw/zinc/36/26/64/1021362664.db2.gz OFNGNPJMMVDUFA-UHFFFAOYSA-N 1 3 381.564 3.602 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](Cc3ccccc3)CC(C)(C)O)cc2)CC1 ZINC001140306191 1021362683 /nfs/dbraw/zinc/36/26/83/1021362683.db2.gz OFNGNPJMMVDUFA-UHFFFAOYSA-N 1 3 381.564 3.602 20 10 GHCDHO COc1cc(CN2CCC[C@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257111 1026105984 /nfs/dbraw/zinc/10/59/84/1026105984.db2.gz RRWTUDKXJGVAQZ-FQEVSTJZSA-N 1 3 384.520 3.814 20 10 GHCDHO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841099802 1028134826 /nfs/dbraw/zinc/13/48/26/1028134826.db2.gz PDRHLGDLUOHLMH-UPVQGACJSA-N 1 3 396.531 3.690 20 10 GHCDHO COc1ccc(O)c(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573712 1030204739 /nfs/dbraw/zinc/20/47/39/1030204739.db2.gz BZCQZMHFWHXXEA-OAQYLSRUSA-N 1 3 396.531 3.704 20 10 GHCDHO c1cc2c(cccc2N2CCN(Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)s1 ZINC001236181068 1041599617 /nfs/dbraw/zinc/59/96/17/1041599617.db2.gz DEBCZNKBUQLVQX-UHFFFAOYSA-N 1 3 392.572 3.633 20 10 GHCDHO Oc1ccccc1CN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256601397 1043564200 /nfs/dbraw/zinc/56/42/00/1043564200.db2.gz WGIIRFJTSRBSCP-UHFFFAOYSA-N 1 3 379.548 3.611 20 10 GHCDHO COc1ccc([C@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1O ZINC000810228213 888303175 /nfs/dbraw/zinc/30/31/75/888303175.db2.gz CQSMSMRMTPVDKH-SFHVURJKSA-N 1 3 395.547 3.784 20 10 GHCDHO CN1CC[NH+](CCCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815558611 893998423 /nfs/dbraw/zinc/99/84/23/893998423.db2.gz ITSBNLAETJXVEB-QHCPKHFHSA-N 1 3 381.564 3.683 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912058 901519433 /nfs/dbraw/zinc/51/94/33/901519433.db2.gz REVSVIUDZRAGFQ-BKULYWANSA-N 1 3 396.531 3.832 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912058 901519446 /nfs/dbraw/zinc/51/94/46/901519446.db2.gz REVSVIUDZRAGFQ-BKULYWANSA-N 1 3 396.531 3.832 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287496 927035793 /nfs/dbraw/zinc/03/57/93/927035793.db2.gz OHRXMODTVYVHAY-HYBUGGRVSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287496 927035809 /nfs/dbraw/zinc/03/58/09/927035809.db2.gz OHRXMODTVYVHAY-HYBUGGRVSA-N 1 3 379.548 3.523 20 10 GHCDHO Fc1cncc([C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)c1 ZINC000798931679 932820766 /nfs/dbraw/zinc/82/07/66/932820766.db2.gz MZUCWBWEYHYFJY-XMMPIXPASA-N 1 3 394.538 3.994 20 10 GHCDHO COC1CCN(C2CC[NH+](Cc3ccc(N(C)C)c4ccccc34)CC2)CC1 ZINC001204240312 1032685238 /nfs/dbraw/zinc/68/52/38/1032685238.db2.gz OJKVOVZGYDJTEL-UHFFFAOYSA-N 1 3 381.564 3.981 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(COc4cccnc4)CC3)cc2)CC1 ZINC001140302182 1021351442 /nfs/dbraw/zinc/35/14/42/1021351442.db2.gz LYSGISIDKIZRDN-UHFFFAOYSA-N 1 3 394.563 3.515 20 10 GHCDHO COc1ccc(O)c([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000756431564 1023645749 /nfs/dbraw/zinc/64/57/49/1023645749.db2.gz NOFJRABBKQERTB-FQEVSTJZSA-N 1 3 397.563 3.649 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(F)ccc1[O-] ZINC000756779324 1023812218 /nfs/dbraw/zinc/81/22/18/1023812218.db2.gz JBYRGCFTOIGTAL-QGZVFWFLSA-N 1 3 383.511 3.914 20 10 GHCDHO Cc1c(CN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c2ccccc2n1C ZINC001138254491 1024477516 /nfs/dbraw/zinc/47/75/16/1024477516.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 1 3 381.564 3.667 20 10 GHCDHO Cc1c(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c2ccccc2n1C ZINC001138254491 1024477524 /nfs/dbraw/zinc/47/75/24/1024477524.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 1 3 381.564 3.667 20 10 GHCDHO COc1cc(CN2CCC[C@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256932 1026106404 /nfs/dbraw/zinc/10/64/04/1026106404.db2.gz NEHKDVNDMOHVSR-NRFANRHFSA-N 1 3 384.520 3.814 20 10 GHCDHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1O ZINC001140180514 1026953344 /nfs/dbraw/zinc/95/33/44/1026953344.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 1 3 382.552 3.579 20 10 GHCDHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1O ZINC001140180514 1026953349 /nfs/dbraw/zinc/95/33/49/1026953349.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 1 3 382.552 3.579 20 10 GHCDHO COc1cc(C)c(C[N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236711161 1041848557 /nfs/dbraw/zinc/84/85/57/1041848557.db2.gz MCMMLLYGRCUMKN-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1cc(C)c(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236711161 1041848562 /nfs/dbraw/zinc/84/85/62/1041848562.db2.gz MCMMLLYGRCUMKN-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820547 1056988791 /nfs/dbraw/zinc/98/87/91/1056988791.db2.gz IOFLPOCBQXBGOI-XXBNENTESA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820547 1056988793 /nfs/dbraw/zinc/98/87/93/1056988793.db2.gz IOFLPOCBQXBGOI-XXBNENTESA-N 1 3 397.538 3.663 20 10 GHCDHO Cc1cc(N(C)C)ccc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150919327 852589157 /nfs/dbraw/zinc/58/91/57/852589157.db2.gz FJZJMQOZSOHEDU-UHFFFAOYSA-N 1 3 380.580 3.881 20 10 GHCDHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761262 859597892 /nfs/dbraw/zinc/59/78/92/859597892.db2.gz IRAFXDSETHAQPJ-LJQANCHMSA-N 1 3 397.538 3.761 20 10 GHCDHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761262 859597897 /nfs/dbraw/zinc/59/78/97/859597897.db2.gz IRAFXDSETHAQPJ-LJQANCHMSA-N 1 3 397.538 3.761 20 10 GHCDHO Cc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cnc1Cl ZINC000768669833 873494745 /nfs/dbraw/zinc/49/47/45/873494745.db2.gz IJWOQRBXFWAKSU-UHFFFAOYSA-N 1 3 384.955 3.865 20 10 GHCDHO COc1cc(Br)cc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1O ZINC000768925406 873694586 /nfs/dbraw/zinc/69/45/86/873694586.db2.gz DBKTYQBKEKTUEC-UHFFFAOYSA-N 1 3 385.346 3.716 20 10 GHCDHO COc1cc(Br)cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000768925406 873694591 /nfs/dbraw/zinc/69/45/91/873694591.db2.gz DBKTYQBKEKTUEC-UHFFFAOYSA-N 1 3 385.346 3.716 20 10 GHCDHO CN(C)c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149461 893522757 /nfs/dbraw/zinc/52/27/57/893522757.db2.gz NZSHVQGIDTUEEM-QHCPKHFHSA-N 1 3 393.575 3.771 20 10 GHCDHO CN(C)c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149461 893522774 /nfs/dbraw/zinc/52/27/74/893522774.db2.gz NZSHVQGIDTUEEM-QHCPKHFHSA-N 1 3 393.575 3.771 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149461 893522790 /nfs/dbraw/zinc/52/27/90/893522790.db2.gz NZSHVQGIDTUEEM-QHCPKHFHSA-N 1 3 393.575 3.771 20 10 GHCDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942367 895971097 /nfs/dbraw/zinc/97/10/97/895971097.db2.gz OLKILWFLDYWTGU-SJLPKXTDSA-N 1 3 388.537 3.821 20 10 GHCDHO COc1cc(C)c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)n1 ZINC000781636788 930920113 /nfs/dbraw/zinc/92/01/13/930920113.db2.gz RVMXMTAFORCYEE-UHFFFAOYSA-N 1 3 394.563 3.529 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Oc4cc(C)ccn4)CC3)cc2)CC1 ZINC001140309307 1021368656 /nfs/dbraw/zinc/36/86/56/1021368656.db2.gz ASRKJSOVNNEIMO-UHFFFAOYSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309767 1021370895 /nfs/dbraw/zinc/37/08/95/1021370895.db2.gz UCSFMIKGAJYHED-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309767 1021370912 /nfs/dbraw/zinc/37/09/12/1021370912.db2.gz UCSFMIKGAJYHED-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433193 1023645828 /nfs/dbraw/zinc/64/58/28/1023645828.db2.gz AMBVKTWPIUJMOF-IBGZPJMESA-N 1 3 393.575 3.869 20 10 GHCDHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(O)c(O)c2)CC3)c1 ZINC001203876743 1027675649 /nfs/dbraw/zinc/67/56/49/1027675649.db2.gz IMQWQCQVTMXUBC-UHFFFAOYSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(O)c(O)c2)CC3)c1 ZINC001203876743 1027675657 /nfs/dbraw/zinc/67/56/57/1027675657.db2.gz IMQWQCQVTMXUBC-UHFFFAOYSA-N 1 3 382.504 3.595 20 10 GHCDHO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001206760811 1033973828 /nfs/dbraw/zinc/97/38/28/1033973828.db2.gz MCMRCDWJOZOQEC-UHFFFAOYSA-N 1 3 394.437 3.826 20 10 GHCDHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586851 1034739050 /nfs/dbraw/zinc/73/90/50/1034739050.db2.gz MTKOEMRDTYKBOW-LJQANCHMSA-N 1 3 396.531 3.785 20 10 GHCDHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189739 1055089095 /nfs/dbraw/zinc/08/90/95/1055089095.db2.gz IYCATTDTWAPCSO-XMMPIXPASA-N 1 3 380.580 3.741 20 10 GHCDHO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000738072183 865479891 /nfs/dbraw/zinc/47/98/91/865479891.db2.gz WAGDCXMIKINLDZ-UHFFFAOYSA-N 1 3 382.504 3.640 20 10 GHCDHO CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1OC ZINC000834519133 1021240756 /nfs/dbraw/zinc/24/07/56/1021240756.db2.gz QJJFBURYQBOJNX-IBGZPJMESA-N 1 3 384.520 3.899 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(c4ccc(O)cc4)CC3)cc2)CC1 ZINC001140305934 1021361494 /nfs/dbraw/zinc/36/14/94/1021361494.db2.gz ITOCKOJJCPJCSV-UHFFFAOYSA-N 1 3 379.548 3.914 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306201 1021362582 /nfs/dbraw/zinc/36/25/82/1021362582.db2.gz OZAMCWXXEMSAQS-NRFANRHFSA-N 1 3 387.568 3.525 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306201 1021362600 /nfs/dbraw/zinc/36/26/00/1021362600.db2.gz OZAMCWXXEMSAQS-NRFANRHFSA-N 1 3 387.568 3.525 20 10 GHCDHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141142401 1023574580 /nfs/dbraw/zinc/57/45/80/1023574580.db2.gz OIGJXCBCSQCQCS-HSZRJFAPSA-N 1 3 395.547 3.985 20 10 GHCDHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054216 1026834054 /nfs/dbraw/zinc/83/40/54/1026834054.db2.gz MDCUVZIVLBVRJI-OAQYLSRUSA-N 1 3 384.495 3.787 20 10 GHCDHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054216 1026834063 /nfs/dbraw/zinc/83/40/63/1026834063.db2.gz MDCUVZIVLBVRJI-OAQYLSRUSA-N 1 3 384.495 3.787 20 10 GHCDHO Cc1cccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592709 1034747504 /nfs/dbraw/zinc/74/75/04/1034747504.db2.gz OZWUNNSFSLOTDP-QFIPXVFZSA-N 1 3 380.532 3.956 20 10 GHCDHO CN1CCC[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533506 1040306317 /nfs/dbraw/zinc/30/63/17/1040306317.db2.gz LQDVZJVFJGXSMP-QFIPXVFZSA-N 1 3 379.548 3.872 20 10 GHCDHO CN1CCCc2cc(CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360408 1040843591 /nfs/dbraw/zinc/84/35/91/1040843591.db2.gz BVMXBWXDECSMTA-ZCYQVOJMSA-N 1 3 375.560 3.822 20 10 GHCDHO C[NH+]1CCC(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)CC1 ZINC001237055897 1042013044 /nfs/dbraw/zinc/01/30/44/1042013044.db2.gz IVLPQVIDBKOLIX-UHFFFAOYSA-N 1 3 386.458 3.887 20 10 GHCDHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792936150 881826936 /nfs/dbraw/zinc/82/69/36/881826936.db2.gz MNOFXMNQZHWJGR-HOTGVXAUSA-N 1 3 387.490 3.750 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850567478 877034967 /nfs/dbraw/zinc/03/49/67/877034967.db2.gz CXBIABSSHDDDAL-REWPJTCUSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567478 877034979 /nfs/dbraw/zinc/03/49/79/877034979.db2.gz CXBIABSSHDDDAL-REWPJTCUSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567478 877034991 /nfs/dbraw/zinc/03/49/91/877034991.db2.gz CXBIABSSHDDDAL-REWPJTCUSA-N 1 3 393.575 3.648 20 10 GHCDHO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103428 878493194 /nfs/dbraw/zinc/49/31/94/878493194.db2.gz LOAWJLIKTCABAC-KRWDZBQOSA-N 1 3 395.526 3.705 20 10 GHCDHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1C ZINC000916837884 890275104 /nfs/dbraw/zinc/27/51/04/890275104.db2.gz ZWYNKEROPGJJHT-UHFFFAOYSA-N 1 3 381.564 3.691 20 10 GHCDHO C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3[O-])C2)CC1 ZINC000815579397 894019084 /nfs/dbraw/zinc/01/90/84/894019084.db2.gz MIQGMRPYOZKXDM-QPPBQGQZSA-N 1 3 393.575 3.824 20 10 GHCDHO C[NH+](C)C1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815586325 894025467 /nfs/dbraw/zinc/02/54/67/894025467.db2.gz FWJHGTHCTRYMKZ-QHCPKHFHSA-N 1 3 381.564 3.682 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912061 901520473 /nfs/dbraw/zinc/52/04/73/901520473.db2.gz REVSVIUDZRAGFQ-JCTONOIOSA-N 1 3 396.531 3.832 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912061 901520484 /nfs/dbraw/zinc/52/04/84/901520484.db2.gz REVSVIUDZRAGFQ-JCTONOIOSA-N 1 3 396.531 3.832 20 10 GHCDHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000845972090 902554041 /nfs/dbraw/zinc/55/40/41/902554041.db2.gz IIGUPHOFBSOLER-GOSISDBHSA-N 1 3 383.536 3.784 20 10 GHCDHO CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1[O-] ZINC000796692171 932031725 /nfs/dbraw/zinc/03/17/25/932031725.db2.gz AFMNLAONTSKWMR-QFIPXVFZSA-N 1 3 385.527 3.910 20 10 GHCDHO COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccc(O)cc2[O-])CC3)c1 ZINC001204272671 1032717238 /nfs/dbraw/zinc/71/72/38/1032717238.db2.gz GKGPJFVNEVYNHU-UHFFFAOYSA-N 1 3 396.531 3.985 20 10 GHCDHO Cc1ccc(O)c([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000756430737 1023644857 /nfs/dbraw/zinc/64/48/57/1023644857.db2.gz KTEGLZIZNVBHEJ-NRFANRHFSA-N 1 3 381.564 3.949 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756551886 1023710802 /nfs/dbraw/zinc/71/08/02/1023710802.db2.gz YMFQPTXTWWYISY-QRWLVFNGSA-N 1 3 384.495 3.826 20 10 GHCDHO CC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139253184 1026104418 /nfs/dbraw/zinc/10/44/18/1026104418.db2.gz PCOWTENJLCFGOZ-KRWDZBQOSA-N 1 3 386.536 3.924 20 10 GHCDHO CC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139253184 1026104432 /nfs/dbraw/zinc/10/44/32/1026104432.db2.gz PCOWTENJLCFGOZ-KRWDZBQOSA-N 1 3 386.536 3.924 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104948 1040592738 /nfs/dbraw/zinc/59/27/38/1040592738.db2.gz YHFNHSHHACYBMK-UHFFFAOYSA-N 1 3 375.310 3.883 20 10 GHCDHO Clc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1N1CCOCC1 ZINC001235243057 1040724386 /nfs/dbraw/zinc/72/43/86/1040724386.db2.gz VQJJCGIQCPFSRU-FQEVSTJZSA-N 1 3 377.960 3.531 20 10 GHCDHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238045 1041638361 /nfs/dbraw/zinc/63/83/61/1041638361.db2.gz XWNZCWZJZKUWOG-NNWRFLSQSA-N 1 3 399.579 3.571 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236723737 1041857451 /nfs/dbraw/zinc/85/74/51/1041857451.db2.gz XMTOUPVKBLUVHW-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236723737 1041857455 /nfs/dbraw/zinc/85/74/55/1041857455.db2.gz XMTOUPVKBLUVHW-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO C[C@@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC001308301997 1049943235 /nfs/dbraw/zinc/94/32/35/1049943235.db2.gz OWYHHLINSVIEIE-FQEVSTJZSA-N 1 3 398.570 3.578 20 10 GHCDHO C[C@@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001308301997 1049943236 /nfs/dbraw/zinc/94/32/36/1049943236.db2.gz OWYHHLINSVIEIE-FQEVSTJZSA-N 1 3 398.570 3.578 20 10 GHCDHO C[C@@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N(C)Cc1ccccc1 ZINC001308301997 1049943240 /nfs/dbraw/zinc/94/32/40/1049943240.db2.gz OWYHHLINSVIEIE-FQEVSTJZSA-N 1 3 398.570 3.578 20 10 GHCDHO COc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084803 /nfs/dbraw/zinc/08/48/03/1050084803.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084804 /nfs/dbraw/zinc/08/48/04/1050084804.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001331383029 1051265230 /nfs/dbraw/zinc/26/52/30/1051265230.db2.gz ZUDHBLRPBIVKSC-QUCCMNQESA-N 1 3 380.532 3.866 20 10 GHCDHO CCc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914925 1057418437 /nfs/dbraw/zinc/41/84/37/1057418437.db2.gz VKXGUNMFGYOWMQ-QHCPKHFHSA-N 1 3 394.559 3.973 20 10 GHCDHO CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856557798 881407797 /nfs/dbraw/zinc/40/77/97/881407797.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 1 3 383.536 3.843 20 10 GHCDHO CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856557798 881407930 /nfs/dbraw/zinc/40/79/30/881407930.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 1 3 383.536 3.843 20 10 GHCDHO C[C@H]1C[N@H+](CCCNCc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971282 875958601 /nfs/dbraw/zinc/95/86/01/875958601.db2.gz MHVRAZGRQDSLAZ-NRFANRHFSA-N 1 3 393.575 3.840 20 10 GHCDHO C[C@H]1C[N@@H+](CCCNCc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971282 875958609 /nfs/dbraw/zinc/95/86/09/875958609.db2.gz MHVRAZGRQDSLAZ-NRFANRHFSA-N 1 3 393.575 3.840 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778643622 897841993 /nfs/dbraw/zinc/84/19/93/897841993.db2.gz UUFBAFTWMAFLOK-NFBKMPQASA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643622 897841999 /nfs/dbraw/zinc/84/19/99/897841999.db2.gz UUFBAFTWMAFLOK-NFBKMPQASA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643622 897842006 /nfs/dbraw/zinc/84/20/06/897842006.db2.gz UUFBAFTWMAFLOK-NFBKMPQASA-N 1 3 379.548 3.523 20 10 GHCDHO CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909390 901568677 /nfs/dbraw/zinc/56/86/77/901568677.db2.gz BCWQBWLRFYROOQ-IPELMVKDSA-N 1 3 385.474 3.632 20 10 GHCDHO COc1cc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620618 925842385 /nfs/dbraw/zinc/84/23/85/925842385.db2.gz HIWZRSRQBUTISB-FQEVSTJZSA-N 1 3 396.531 3.801 20 10 GHCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146477 928049544 /nfs/dbraw/zinc/04/95/44/928049544.db2.gz HMKMMVSXFRPWFY-NFBKMPQASA-N 1 3 379.548 3.666 20 10 GHCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146477 928049558 /nfs/dbraw/zinc/04/95/58/928049558.db2.gz HMKMMVSXFRPWFY-NFBKMPQASA-N 1 3 379.548 3.666 20 10 GHCDHO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001206756070 1033970428 /nfs/dbraw/zinc/97/04/28/1033970428.db2.gz VHRJJUCRQCWNGZ-UHFFFAOYSA-N 1 3 380.410 3.783 20 10 GHCDHO COC(=O)c1c(CN2CCC(C3CC[NH+](C)CC3)CC2)c2ccccc2n1C ZINC001232404934 1038186924 /nfs/dbraw/zinc/18/69/24/1038186924.db2.gz DOGLZUDAGHIADW-UHFFFAOYSA-N 1 3 383.536 3.519 20 10 GHCDHO Clc1cc(N2CCOCC2)ccc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236969 1040716959 /nfs/dbraw/zinc/71/69/59/1040716959.db2.gz IIOARBIZIQWMHO-NRFANRHFSA-N 1 3 377.960 3.531 20 10 GHCDHO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)c(O)c1 ZINC001235366658 1040859613 /nfs/dbraw/zinc/85/96/13/1040859613.db2.gz DWWYPLDDKMUAQQ-WIOPSUGQSA-N 1 3 393.575 3.992 20 10 GHCDHO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)c(O)c1 ZINC001235366658 1040859628 /nfs/dbraw/zinc/85/96/28/1040859628.db2.gz DWWYPLDDKMUAQQ-WIOPSUGQSA-N 1 3 393.575 3.992 20 10 GHCDHO COCCCN(Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH2+]CC1 ZINC001235939566 1041446379 /nfs/dbraw/zinc/44/63/79/1041446379.db2.gz FUZCQUHJCMCVLH-UHFFFAOYSA-N 1 3 384.520 3.562 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC001321023080 1056061253 /nfs/dbraw/zinc/06/12/53/1056061253.db2.gz KHPXUFMQKFPJNV-UTKZUKDTSA-N 1 3 380.532 3.995 20 10 GHCDHO CCCN(CCC)c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000769523656 874130780 /nfs/dbraw/zinc/13/07/80/874130780.db2.gz CLVWGQUDNXIZLI-URXFXBBRSA-N 1 3 386.628 3.771 20 10 GHCDHO CCN1CCN(c2cccc(NC(=O)c3ccc(C[NH+](CC)CC)cc3)c2)CC1 ZINC000770154143 874517683 /nfs/dbraw/zinc/51/76/83/874517683.db2.gz NFSGPRAVZLAUSM-UHFFFAOYSA-N 1 3 394.563 3.923 20 10 GHCDHO Cc1cc(Cl)cc([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)c1O ZINC000808719755 886703843 /nfs/dbraw/zinc/70/38/43/886703843.db2.gz IWWSGCKJOLBNTD-OAHLLOKOSA-N 1 3 377.916 3.930 20 10 GHCDHO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC000915680958 887315629 /nfs/dbraw/zinc/31/56/29/887315629.db2.gz VBAQAKQLEGUUQF-UHFFFAOYSA-N 1 3 394.607 3.960 20 10 GHCDHO [NH3+]CCCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000902327079 922091770 /nfs/dbraw/zinc/09/17/70/922091770.db2.gz CZTRHFUBHNBEEM-JOCHJYFZSA-N 1 3 389.490 3.761 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[N@@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367599 922131062 /nfs/dbraw/zinc/13/10/62/922131062.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[N@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367599 922131066 /nfs/dbraw/zinc/13/10/66/922131066.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[NH+]2CC[C@H](CF)C2)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000902367599 922131069 /nfs/dbraw/zinc/13/10/69/922131069.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[NH+]2CC[C@H](CF)C2)c1C[N@H+]1CC[C@H](CF)C1 ZINC000902367599 922131073 /nfs/dbraw/zinc/13/10/73/922131073.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640331 929755064 /nfs/dbraw/zinc/75/50/64/929755064.db2.gz RZUVCZJZOCVIEC-BPAFIMBUSA-N 1 3 384.495 3.826 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640331 929755068 /nfs/dbraw/zinc/75/50/68/929755068.db2.gz RZUVCZJZOCVIEC-BPAFIMBUSA-N 1 3 384.495 3.826 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC001140309317 1021368474 /nfs/dbraw/zinc/36/84/74/1021368474.db2.gz BCAKLPKWTQAICD-UHFFFAOYSA-N 1 3 396.554 3.680 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC001140309317 1021368493 /nfs/dbraw/zinc/36/84/93/1021368493.db2.gz BCAKLPKWTQAICD-UHFFFAOYSA-N 1 3 396.554 3.680 20 10 GHCDHO CN(C)c1ccc([C@@H]([NH3+])CNC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000841045264 1028067776 /nfs/dbraw/zinc/06/77/76/1028067776.db2.gz JPUASIZMSBDELW-QFIPXVFZSA-N 1 3 386.971 3.660 20 10 GHCDHO CN(C)c1ccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)c(O)c1 ZINC001232838826 1038589798 /nfs/dbraw/zinc/58/97/98/1038589798.db2.gz MMDGICGSECMAGS-JOCHJYFZSA-N 1 3 383.536 3.928 20 10 GHCDHO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238044 1041639310 /nfs/dbraw/zinc/63/93/10/1041639310.db2.gz XWNZCWZJZKUWOG-HJNYFJLDSA-N 1 3 399.579 3.571 20 10 GHCDHO [O-]c1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384807 1041692622 /nfs/dbraw/zinc/69/26/22/1041692622.db2.gz DPYNMRAPCFAANM-UHFFFAOYSA-N 1 3 378.875 3.892 20 10 GHCDHO [O-]c1cc(O)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384807 1041692626 /nfs/dbraw/zinc/69/26/26/1041692626.db2.gz DPYNMRAPCFAANM-UHFFFAOYSA-N 1 3 378.875 3.892 20 10 GHCDHO COc1cc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c(O)c(OC)c1 ZINC001237678039 1042319213 /nfs/dbraw/zinc/31/92/13/1042319213.db2.gz JKYFBNYJZANISE-UHFFFAOYSA-N 1 3 382.504 3.507 20 10 GHCDHO CN1CCN(c2ccc(C[NH2+][C@H](CN3CCCC3)c3ccccc3)cc2F)CC1 ZINC001473909683 1074200103 /nfs/dbraw/zinc/20/01/03/1074200103.db2.gz VVDKBERJRAJMIE-HSZRJFAPSA-N 1 3 396.554 3.504 20 10 GHCDHO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495553 /nfs/dbraw/zinc/49/55/53/1074495553.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 1 3 399.535 3.598 20 10 GHCDHO COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495559 /nfs/dbraw/zinc/49/55/59/1074495559.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 1 3 399.535 3.598 20 10 GHCDHO CCCN(CCC)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000769523658 874130605 /nfs/dbraw/zinc/13/06/05/874130605.db2.gz CLVWGQUDNXIZLI-ZJSXRUAMSA-N 1 3 386.628 3.771 20 10 GHCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406557 876888557 /nfs/dbraw/zinc/88/85/57/876888557.db2.gz LFRXAXXABNYTBI-OFNKIYASSA-N 1 3 393.575 3.790 20 10 GHCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406557 876888561 /nfs/dbraw/zinc/88/85/61/876888561.db2.gz LFRXAXXABNYTBI-OFNKIYASSA-N 1 3 393.575 3.790 20 10 GHCDHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000757964041 929873004 /nfs/dbraw/zinc/87/30/04/929873004.db2.gz IWLYEXJQKMHOJJ-UHFFFAOYSA-N 1 3 384.612 3.526 20 10 GHCDHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700559 /nfs/dbraw/zinc/70/05/59/1024700559.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 1 3 383.580 3.930 20 10 GHCDHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700575 /nfs/dbraw/zinc/70/05/75/1024700575.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 1 3 383.580 3.930 20 10 GHCDHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1O ZINC001140181356 1026954459 /nfs/dbraw/zinc/95/44/59/1026954459.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 1 3 394.563 3.581 20 10 GHCDHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1O ZINC001140181356 1026954461 /nfs/dbraw/zinc/95/44/61/1026954461.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 1 3 394.563 3.581 20 10 GHCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935164 1035100340 /nfs/dbraw/zinc/10/03/40/1035100340.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 1 3 393.575 3.867 20 10 GHCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935164 1035100348 /nfs/dbraw/zinc/10/03/48/1035100348.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 1 3 393.575 3.867 20 10 GHCDHO CCN1CCN(c2ccc(OC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC001234657544 1040194045 /nfs/dbraw/zinc/19/40/45/1040194045.db2.gz DSLXACQRSVFKAS-UHFFFAOYSA-N 1 3 379.548 3.872 20 10 GHCDHO COc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])cc1Br ZINC001235157928 1040652052 /nfs/dbraw/zinc/65/20/52/1040652052.db2.gz SNKSVKPQDALKQH-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])cc1Br ZINC001235157928 1040652059 /nfs/dbraw/zinc/65/20/59/1040652059.db2.gz SNKSVKPQDALKQH-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO CN1CCCc2cc(CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360406 1040844337 /nfs/dbraw/zinc/84/43/37/1040844337.db2.gz BVMXBWXDECSMTA-NOZRDPDXSA-N 1 3 375.560 3.822 20 10 GHCDHO CCN(CC)c1ccc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235380316 1040901079 /nfs/dbraw/zinc/90/10/79/1040901079.db2.gz OAIPRFIWBCMFDM-VWNXMTODSA-N 1 3 379.548 3.818 20 10 GHCDHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680112 1041144791 /nfs/dbraw/zinc/14/47/91/1041144791.db2.gz IDGQHGAQYRYDPW-SFHVURJKSA-N 1 3 388.552 3.539 20 10 GHCDHO FC(F)(F)c1ccc2c(c1)CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236086737 1041527563 /nfs/dbraw/zinc/52/75/63/1041527563.db2.gz RLSACNPBWDZGJU-UHFFFAOYSA-N 1 3 375.438 3.673 20 10 GHCDHO CCOC(=O)c1c(CN2CCC(CC3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001236962360 1041971481 /nfs/dbraw/zinc/97/14/81/1041971481.db2.gz ODWIEOAYGKYTHK-UHFFFAOYSA-N 1 3 397.563 3.957 20 10 GHCDHO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001319762772 1055452823 /nfs/dbraw/zinc/45/28/23/1055452823.db2.gz HZBQCJBNJMQAES-FQEVSTJZSA-N 1 3 380.580 3.741 20 10 GHCDHO CCN(CC)c1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849072506 1057581497 /nfs/dbraw/zinc/58/14/97/1057581497.db2.gz PGKIWLMZQHFZPQ-UHFFFAOYSA-N 1 3 393.579 3.811 20 10 GHCDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(O)c1OC ZINC000892580530 836741480 /nfs/dbraw/zinc/74/14/80/836741480.db2.gz LTCRASULUYPQJQ-KRWDZBQOSA-N 1 3 384.520 3.931 20 10 GHCDHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(O)c1OC ZINC000892580530 836741491 /nfs/dbraw/zinc/74/14/91/836741491.db2.gz LTCRASULUYPQJQ-KRWDZBQOSA-N 1 3 384.520 3.931 20 10 GHCDHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000764897153 859665126 /nfs/dbraw/zinc/66/51/26/859665126.db2.gz GAFZBPANCUAPFL-OAQYLSRUSA-N 1 3 393.575 3.881 20 10 GHCDHO COc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC001183046614 912214236 /nfs/dbraw/zinc/21/42/36/912214236.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 1 3 399.535 3.598 20 10 GHCDHO COc1cc(C)cc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC001183046614 912214257 /nfs/dbraw/zinc/21/42/57/912214257.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 1 3 399.535 3.598 20 10 GHCDHO C[NH+](C)CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266454 876094897 /nfs/dbraw/zinc/09/48/97/876094897.db2.gz VPZMMIRUFQTIPX-QHCPKHFHSA-N 1 3 381.564 3.682 20 10 GHCDHO Oc1cc(O)c(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC001172066196 905332035 /nfs/dbraw/zinc/33/20/35/905332035.db2.gz UTDMYHWOLYEXKG-ACDBMABISA-N 1 3 382.504 3.521 20 10 GHCDHO Oc1cc(O)c(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC001172066196 905332050 /nfs/dbraw/zinc/33/20/50/905332050.db2.gz UTDMYHWOLYEXKG-ACDBMABISA-N 1 3 382.504 3.521 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339004 909497608 /nfs/dbraw/zinc/49/76/08/909497608.db2.gz QEBAQTRJNARJAC-NZQKXSOJSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339004 909497616 /nfs/dbraw/zinc/49/76/16/909497616.db2.gz QEBAQTRJNARJAC-NZQKXSOJSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339004 909497627 /nfs/dbraw/zinc/49/76/27/909497627.db2.gz QEBAQTRJNARJAC-NZQKXSOJSA-N 1 3 393.575 3.505 20 10 GHCDHO CN(C)c1ccc(CN(C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001204144926 1032600675 /nfs/dbraw/zinc/60/06/75/1032600675.db2.gz LBRUWBSBYMZYRR-UHFFFAOYSA-N 1 3 391.462 3.768 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C)CCCc3cccc(OC)c3)cc2)CC1 ZINC001140306528 1021363998 /nfs/dbraw/zinc/36/39/98/1021363998.db2.gz SUTRMUSAOHMYRV-UHFFFAOYSA-N 1 3 381.564 3.902 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCCc3cccc(OC)c3)cc2)CC1 ZINC001140306528 1021364012 /nfs/dbraw/zinc/36/40/12/1021364012.db2.gz SUTRMUSAOHMYRV-UHFFFAOYSA-N 1 3 381.564 3.902 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309747 1021369666 /nfs/dbraw/zinc/36/96/66/1021369666.db2.gz SODHINKWQWBKHO-QFIPXVFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309747 1021369685 /nfs/dbraw/zinc/36/96/85/1021369685.db2.gz SODHINKWQWBKHO-QFIPXVFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432947 1023646779 /nfs/dbraw/zinc/64/67/79/1023646779.db2.gz LKMIPSWZWHJAEP-HXUWFJFHSA-N 1 3 381.564 3.997 20 10 GHCDHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000840882810 1027918361 /nfs/dbraw/zinc/91/83/61/1027918361.db2.gz AJEXVVLUGAFMTM-LJQANCHMSA-N 1 3 394.559 3.949 20 10 GHCDHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286882 1039066356 /nfs/dbraw/zinc/06/63/56/1039066356.db2.gz MTLBZJDNRCIEPW-KRWDZBQOSA-N 1 3 388.552 3.539 20 10 GHCDHO CCOC(=O)c1c(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c2ccccc2n1C ZINC001235240400 1040721700 /nfs/dbraw/zinc/72/17/00/1040721700.db2.gz MQPHMXZDFIVABT-HXUWFJFHSA-N 1 3 383.536 3.709 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008748 1041500728 /nfs/dbraw/zinc/50/07/28/1041500728.db2.gz GCUKFYGXWVDXKL-UHFFFAOYSA-N 1 3 375.310 3.883 20 10 GHCDHO COc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)c(O)cc1Br ZINC001236963291 1041971321 /nfs/dbraw/zinc/97/13/21/1041971321.db2.gz ZNPDUMHNWRHDGS-UHFFFAOYSA-N 1 3 397.357 3.765 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000769505559 874114305 /nfs/dbraw/zinc/11/43/05/874114305.db2.gz FPNHFDQXXNKCSV-UHFFFAOYSA-N 1 3 377.548 3.749 20 10 GHCDHO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2CN2CCN(CC)CC2)cc1 ZINC000915680706 887315505 /nfs/dbraw/zinc/31/55/05/887315505.db2.gz ASPDDBISHBKSHE-UHFFFAOYSA-N 1 3 394.607 3.960 20 10 GHCDHO CCN1CCN([C@@H](C)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559856 893998375 /nfs/dbraw/zinc/99/83/75/893998375.db2.gz RMBHEAHMUCDPBO-NZQKXSOJSA-N 1 3 381.564 3.682 20 10 GHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1[O-] ZINC000817984749 895992805 /nfs/dbraw/zinc/99/28/05/895992805.db2.gz YRYNAJQEFRCALE-QGZVFWFLSA-N 1 3 387.955 3.998 20 10 GHCDHO CN(Cc1cccs1)c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000295581433 917365814 /nfs/dbraw/zinc/36/58/14/917365814.db2.gz DPNDEZHMIWULMM-HXUWFJFHSA-N 1 3 399.604 3.975 20 10 GHCDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000800894283 1021346865 /nfs/dbraw/zinc/34/68/65/1021346865.db2.gz PVUURNHWJNMZRZ-DEOSSOPVSA-N 1 3 393.575 3.914 20 10 GHCDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000800894283 1021346883 /nfs/dbraw/zinc/34/68/83/1021346883.db2.gz PVUURNHWJNMZRZ-DEOSSOPVSA-N 1 3 393.575 3.914 20 10 GHCDHO CC[NH+]1CCN(c2ccc(CN3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC001140300758 1021346950 /nfs/dbraw/zinc/34/69/50/1021346950.db2.gz RHGUBGVOGWCVQQ-UHFFFAOYSA-N 1 3 391.559 3.923 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)cc2)CC1 ZINC001140304934 1021358850 /nfs/dbraw/zinc/35/88/50/1021358850.db2.gz HRAXTSWVPWRMGE-VJTSUQJLSA-N 1 3 397.607 3.856 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)cc2)CC1 ZINC001140304934 1021358870 /nfs/dbraw/zinc/35/88/70/1021358870.db2.gz HRAXTSWVPWRMGE-VJTSUQJLSA-N 1 3 397.607 3.856 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C)Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC001140309813 1021370174 /nfs/dbraw/zinc/37/01/74/1021370174.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 1 3 389.547 3.646 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC001140309813 1021370191 /nfs/dbraw/zinc/37/01/91/1021370191.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 1 3 389.547 3.646 20 10 GHCDHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235737 1069455353 /nfs/dbraw/zinc/45/53/53/1069455353.db2.gz ZGBPZNGKEDVHOL-CALCHBBNSA-N 1 3 378.557 3.677 20 10 GHCDHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286883 1039064898 /nfs/dbraw/zinc/06/48/98/1039064898.db2.gz MTLBZJDNRCIEPW-QGZVFWFLSA-N 1 3 388.552 3.539 20 10 GHCDHO COc1cc(C)c(CN2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001236807002 1041907890 /nfs/dbraw/zinc/90/78/90/1041907890.db2.gz BKBSFQHHCOXORG-UHFFFAOYSA-N 1 3 399.535 3.945 20 10 GHCDHO COc1cc(C)c(CN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001236807002 1041907896 /nfs/dbraw/zinc/90/78/96/1041907896.db2.gz BKBSFQHHCOXORG-UHFFFAOYSA-N 1 3 399.535 3.945 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053108 1046169338 /nfs/dbraw/zinc/16/93/38/1046169338.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053108 1046169347 /nfs/dbraw/zinc/16/93/47/1046169347.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@H](CF)C3)c2c1C[N@@H+]1CC[C@H](CF)C1 ZINC001262053108 1046169354 /nfs/dbraw/zinc/16/93/54/1046169354.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@H](CF)C3)c2c1C[N@H+]1CC[C@H](CF)C1 ZINC001262053108 1046169361 /nfs/dbraw/zinc/16/93/61/1046169361.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 1 3 390.474 3.834 20 10 GHCDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664742 872489195 /nfs/dbraw/zinc/48/91/95/872489195.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 1 3 384.612 3.525 20 10 GHCDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664742 872489203 /nfs/dbraw/zinc/48/92/03/872489203.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 1 3 384.612 3.525 20 10 GHCDHO COc1ccc(N2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000850361884 876849643 /nfs/dbraw/zinc/84/96/43/876849643.db2.gz FYMNKWSGGKGQBS-UHFFFAOYSA-N 1 3 394.563 3.561 20 10 GHCDHO C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccn1 ZINC000762624487 886535520 /nfs/dbraw/zinc/53/55/20/886535520.db2.gz KTLWOYVUGBTFOU-UHFFFAOYSA-N 1 3 377.488 3.684 20 10 GHCDHO COc1ccc([C@@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1O ZINC000810228210 888302811 /nfs/dbraw/zinc/30/28/11/888302811.db2.gz CQSMSMRMTPVDKH-GOSISDBHSA-N 1 3 395.547 3.784 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078122 /nfs/dbraw/zinc/07/81/22/917078122.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 1 3 383.580 3.751 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078134 /nfs/dbraw/zinc/07/81/34/917078134.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 1 3 383.580 3.751 20 10 GHCDHO Fc1cncc([C@@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)c1 ZINC000798931675 932820972 /nfs/dbraw/zinc/82/09/72/932820972.db2.gz MZUCWBWEYHYFJY-DEOSSOPVSA-N 1 3 394.538 3.994 20 10 GHCDHO C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926558317 1017283485 /nfs/dbraw/zinc/28/34/85/1017283485.db2.gz DFWVTQMTXVPREK-INIZCTEOSA-N 1 3 389.490 3.714 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304304 1021354918 /nfs/dbraw/zinc/35/49/18/1021354918.db2.gz MPLQLDKREBOVBD-QHCPKHFHSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304304 1021354934 /nfs/dbraw/zinc/35/49/34/1021354934.db2.gz MPLQLDKREBOVBD-QHCPKHFHSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305704 1021361579 /nfs/dbraw/zinc/36/15/79/1021361579.db2.gz HCIJZGJEZLHFGP-QFIPXVFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305704 1021361597 /nfs/dbraw/zinc/36/15/97/1021361597.db2.gz HCIJZGJEZLHFGP-QFIPXVFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CN1CCN(c2ccc(CNC[C@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153915 1069415672 /nfs/dbraw/zinc/41/56/72/1069415672.db2.gz SXRWSIABAWXUKE-XMMPIXPASA-N 1 3 384.612 3.573 20 10 GHCDHO CN1CCN(c2ccc(CNC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153915 1069415677 /nfs/dbraw/zinc/41/56/77/1069415677.db2.gz SXRWSIABAWXUKE-XMMPIXPASA-N 1 3 384.612 3.573 20 10 GHCDHO CCCCN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232201042 1035158236 /nfs/dbraw/zinc/15/82/36/1035158236.db2.gz FXYNKVGSEOCMLO-UHFFFAOYSA-N 1 3 379.976 3.873 20 10 GHCDHO CCCCN1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232201042 1035158243 /nfs/dbraw/zinc/15/82/43/1035158243.db2.gz FXYNKVGSEOCMLO-UHFFFAOYSA-N 1 3 379.976 3.873 20 10 GHCDHO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@]1(O)CCCNC1 ZINC001246053623 1037166064 /nfs/dbraw/zinc/16/60/64/1037166064.db2.gz RXZGVIMEYSZEAJ-VWLOTQADSA-N 1 3 376.544 3.653 20 10 GHCDHO C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@]1(O)CCCNC1 ZINC001246053623 1037166075 /nfs/dbraw/zinc/16/60/75/1037166075.db2.gz RXZGVIMEYSZEAJ-VWLOTQADSA-N 1 3 376.544 3.653 20 10 GHCDHO CN(CCC=C1c2ccccc2CCc2ccccc21)C[C@]1(O)CCC[NH2+]C1 ZINC001246053623 1037166085 /nfs/dbraw/zinc/16/60/85/1037166085.db2.gz RXZGVIMEYSZEAJ-VWLOTQADSA-N 1 3 376.544 3.653 20 10 GHCDHO [O-]c1c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cccc1OC(F)(F)F ZINC001235977649 1041481199 /nfs/dbraw/zinc/48/11/99/1041481199.db2.gz OHERHYVOMDXCOQ-UHFFFAOYSA-N 1 3 392.421 3.928 20 10 GHCDHO [O-]c1c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cccc1OC(F)(F)F ZINC001235977649 1041481207 /nfs/dbraw/zinc/48/12/07/1041481207.db2.gz OHERHYVOMDXCOQ-UHFFFAOYSA-N 1 3 392.421 3.928 20 10 GHCDHO C[NH+]1CCC(C2CCN(Cc3ccc(N4CCOCC4)cc3Cl)CC2)CC1 ZINC001236921344 1041959942 /nfs/dbraw/zinc/95/99/42/1041959942.db2.gz DDYQRQILOSZCCZ-UHFFFAOYSA-N 1 3 391.987 3.730 20 10 GHCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848528635 1057151616 /nfs/dbraw/zinc/15/16/16/1057151616.db2.gz HJJVQVSUGOSLCO-CYBMUJFWSA-N 1 3 385.346 3.936 20 10 GHCDHO [NH2+]=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849071773 1057580643 /nfs/dbraw/zinc/58/06/43/1057580643.db2.gz HDQDXMWRIKJLKC-UHFFFAOYSA-N 1 3 391.563 3.565 20 10 GHCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559204 881437212 /nfs/dbraw/zinc/43/72/12/881437212.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 1 3 396.579 3.950 20 10 GHCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559204 881437323 /nfs/dbraw/zinc/43/73/23/881437323.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 1 3 396.579 3.950 20 10 GHCDHO Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581291 /nfs/dbraw/zinc/58/12/91/881581291.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 1 3 396.579 3.950 20 10 GHCDHO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581308 /nfs/dbraw/zinc/58/13/08/881581308.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 1 3 396.579 3.950 20 10 GHCDHO CCNc1ccccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001201482634 875732986 /nfs/dbraw/zinc/73/29/86/875732986.db2.gz YOEPGRJQKDTPKD-UHFFFAOYSA-N 1 3 378.564 3.940 20 10 GHCDHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000817888656 895930600 /nfs/dbraw/zinc/93/06/00/895930600.db2.gz OCFOWKLJINXCIT-JTHBVZDNSA-N 1 3 395.572 3.585 20 10 GHCDHO CN(C)c1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000102781523 898030892 /nfs/dbraw/zinc/03/08/92/898030892.db2.gz DGWKHFQWLRXAQO-UHFFFAOYSA-N 1 3 397.563 3.532 20 10 GHCDHO CN(C)c1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000102781523 898030905 /nfs/dbraw/zinc/03/09/05/898030905.db2.gz DGWKHFQWLRXAQO-UHFFFAOYSA-N 1 3 397.563 3.532 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000757967024 929873877 /nfs/dbraw/zinc/87/38/77/929873877.db2.gz XHBYPKRGEISLNG-UHFFFAOYSA-N 1 3 390.591 3.521 20 10 GHCDHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnn1C1CCC1 ZINC000925678497 931874853 /nfs/dbraw/zinc/87/48/53/931874853.db2.gz VHIJMUYHORBOTC-IBGZPJMESA-N 1 3 393.579 3.991 20 10 GHCDHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621832 1022093779 /nfs/dbraw/zinc/09/37/79/1022093779.db2.gz QYAJERZQHBBDGC-QFIPXVFZSA-N 1 3 395.547 3.599 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001140853097 1022703601 /nfs/dbraw/zinc/70/36/01/1022703601.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 1 3 389.584 3.561 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001140853097 1022703612 /nfs/dbraw/zinc/70/36/12/1022703612.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 1 3 389.584 3.561 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629930 1030250279 /nfs/dbraw/zinc/25/02/79/1030250279.db2.gz SAGCGMJTEVHMCQ-GASCZTMLSA-N 1 3 375.310 3.739 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629930 1030250295 /nfs/dbraw/zinc/25/02/95/1030250295.db2.gz SAGCGMJTEVHMCQ-GASCZTMLSA-N 1 3 375.310 3.739 20 10 GHCDHO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@@]1(O)CCCNC1 ZINC001246053622 1037165081 /nfs/dbraw/zinc/16/50/81/1037165081.db2.gz RXZGVIMEYSZEAJ-RUZDIDTESA-N 1 3 376.544 3.653 20 10 GHCDHO C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@@]1(O)CCCNC1 ZINC001246053622 1037165098 /nfs/dbraw/zinc/16/50/98/1037165098.db2.gz RXZGVIMEYSZEAJ-RUZDIDTESA-N 1 3 376.544 3.653 20 10 GHCDHO CN(CCC=C1c2ccccc2CCc2ccccc21)C[C@@]1(O)CCC[NH2+]C1 ZINC001246053622 1037165109 /nfs/dbraw/zinc/16/51/09/1037165109.db2.gz RXZGVIMEYSZEAJ-RUZDIDTESA-N 1 3 376.544 3.653 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236743167 1041869940 /nfs/dbraw/zinc/86/99/40/1041869940.db2.gz YXFATXLLVBXAJM-IYARVYRRSA-N 1 3 388.483 3.821 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236743167 1041869945 /nfs/dbraw/zinc/86/99/45/1041869945.db2.gz YXFATXLLVBXAJM-IYARVYRRSA-N 1 3 388.483 3.821 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001337785965 1058262728 /nfs/dbraw/zinc/26/27/28/1058262728.db2.gz QSLSVQAJFKVORK-WIYYLYMNSA-N 1 3 379.548 3.786 20 10 GHCDHO CC1(C)C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000850406225 876888601 /nfs/dbraw/zinc/88/86/01/876888601.db2.gz XWOPYBNXTNSTPZ-JOCHJYFZSA-N 1 3 393.575 3.790 20 10 GHCDHO CC1(C)C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000850406225 876888603 /nfs/dbraw/zinc/88/86/03/876888603.db2.gz XWOPYBNXTNSTPZ-JOCHJYFZSA-N 1 3 393.575 3.790 20 10 GHCDHO OC1CCN(c2ccc(CNC[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989030 893421207 /nfs/dbraw/zinc/42/12/07/893421207.db2.gz RVALGNNOKZANMQ-HSZRJFAPSA-N 1 3 393.575 3.650 20 10 GHCDHO OC1CCN(c2ccc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989030 893421213 /nfs/dbraw/zinc/42/12/13/893421213.db2.gz RVALGNNOKZANMQ-HSZRJFAPSA-N 1 3 393.575 3.650 20 10 GHCDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942365 895970232 /nfs/dbraw/zinc/97/02/32/895970232.db2.gz OLKILWFLDYWTGU-FUHWJXTLSA-N 1 3 388.537 3.821 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903327 901487074 /nfs/dbraw/zinc/48/70/74/901487074.db2.gz XOACBWZLRFDHOW-LGVFNWMJSA-N 1 3 396.531 3.690 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903327 901487082 /nfs/dbraw/zinc/48/70/82/901487082.db2.gz XOACBWZLRFDHOW-LGVFNWMJSA-N 1 3 396.531 3.690 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305538 1021359889 /nfs/dbraw/zinc/35/98/89/1021359889.db2.gz BFGOPFFRGFYQDH-HXUWFJFHSA-N 1 3 397.567 3.715 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305538 1021359905 /nfs/dbraw/zinc/35/99/05/1021359905.db2.gz BFGOPFFRGFYQDH-HXUWFJFHSA-N 1 3 397.567 3.715 20 10 GHCDHO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621638 1022094997 /nfs/dbraw/zinc/09/49/97/1022094997.db2.gz NOWSPYCQTXTHIV-QFIPXVFZSA-N 1 3 380.532 3.956 20 10 GHCDHO CN1CCOc2cc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580951 /nfs/dbraw/zinc/58/09/51/1023580951.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 1 3 377.532 3.613 20 10 GHCDHO CN1CCOc2cc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580957 /nfs/dbraw/zinc/58/09/57/1023580957.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 1 3 377.532 3.613 20 10 GHCDHO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841099803 1028135213 /nfs/dbraw/zinc/13/52/13/1028135213.db2.gz PDRHLGDLUOHLMH-VWNXMTODSA-N 1 3 396.531 3.690 20 10 GHCDHO COc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235243020 1040724409 /nfs/dbraw/zinc/72/44/09/1040724409.db2.gz VAWCDVVUZKRUOG-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO CN1CCCc2cc(CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360404 1040842145 /nfs/dbraw/zinc/84/21/45/1040842145.db2.gz BVMXBWXDECSMTA-ILBGXUMGSA-N 1 3 375.560 3.822 20 10 GHCDHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC001473976788 1074224113 /nfs/dbraw/zinc/22/41/13/1074224113.db2.gz DGWGFQMYPKSYCY-UHFFFAOYSA-N 1 3 392.591 3.714 20 10 GHCDHO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495787 /nfs/dbraw/zinc/49/57/87/1074495787.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 1 3 399.535 3.598 20 10 GHCDHO COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495794 /nfs/dbraw/zinc/49/57/94/1074495794.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 1 3 399.535 3.598 20 10 GHCDHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685624 1074514556 /nfs/dbraw/zinc/51/45/56/1074514556.db2.gz WLFDGXDKPDZNNH-QPPBQGQZSA-N 1 3 392.591 3.581 20 10 GHCDHO COc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[O-] ZINC000850582473 877055720 /nfs/dbraw/zinc/05/57/20/877055720.db2.gz JZSBHQKEDRAYFG-ZDUSSCGKSA-N 1 3 397.357 3.936 20 10 GHCDHO CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209416 888321722 /nfs/dbraw/zinc/32/17/22/888321722.db2.gz QUHWSFQKNGTVQA-GOSISDBHSA-N 1 3 387.490 3.869 20 10 GHCDHO C[N@@H+]1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1(C)C ZINC000815623472 894054811 /nfs/dbraw/zinc/05/48/11/894054811.db2.gz YMXKKRGRXQFEMW-JOCHJYFZSA-N 1 3 381.564 3.682 20 10 GHCDHO C[N@H+]1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1(C)C ZINC000815623472 894054830 /nfs/dbraw/zinc/05/48/30/894054830.db2.gz YMXKKRGRXQFEMW-JOCHJYFZSA-N 1 3 381.564 3.682 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000130063365 896971589 /nfs/dbraw/zinc/97/15/89/896971589.db2.gz WIJWSTJYQBIZBQ-GOSISDBHSA-N 1 3 379.495 3.721 20 10 GHCDHO CCN1CCN(c2cccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000187405062 934543485 /nfs/dbraw/zinc/54/34/85/934543485.db2.gz YDGGUKDTBQSYHX-UHFFFAOYSA-N 1 3 392.547 3.677 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304108 1021354354 /nfs/dbraw/zinc/35/43/54/1021354354.db2.gz IKGBTUHDRKYXPY-DEOSSOPVSA-N 1 3 379.548 3.620 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304108 1021354371 /nfs/dbraw/zinc/35/43/71/1021354371.db2.gz IKGBTUHDRKYXPY-DEOSSOPVSA-N 1 3 379.548 3.620 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCc4ccc(OC)cc4C3)cc2)CC1 ZINC001140309910 1021370260 /nfs/dbraw/zinc/37/02/60/1021370260.db2.gz ZQVPRJIWGMYPTA-UHFFFAOYSA-N 1 3 379.548 3.786 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCCc4ccc(OC)cc4C3)cc2)CC1 ZINC001140309910 1021370276 /nfs/dbraw/zinc/37/02/76/1021370276.db2.gz ZQVPRJIWGMYPTA-UHFFFAOYSA-N 1 3 379.548 3.786 20 10 GHCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000756430739 1023644693 /nfs/dbraw/zinc/64/46/93/1023644693.db2.gz KTEGLZIZNVBHEJ-OAQYLSRUSA-N 1 3 381.564 3.949 20 10 GHCDHO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796732 /nfs/dbraw/zinc/79/67/32/1034796732.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796739 /nfs/dbraw/zinc/79/67/39/1034796739.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 1 3 382.504 3.595 20 10 GHCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660042 1040195678 /nfs/dbraw/zinc/19/56/78/1040195678.db2.gz CIBPUVCEINYURN-NFBKMPQASA-N 1 3 394.563 3.828 20 10 GHCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660042 1040195688 /nfs/dbraw/zinc/19/56/88/1040195688.db2.gz CIBPUVCEINYURN-NFBKMPQASA-N 1 3 394.563 3.828 20 10 GHCDHO C[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474376595 1074372028 /nfs/dbraw/zinc/37/20/28/1074372028.db2.gz PCZIZGGAYXSRJR-UHFFFAOYSA-N 1 3 383.492 3.687 20 10 GHCDHO C[N@H+](Cc1ccccc1[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474376595 1074372033 /nfs/dbraw/zinc/37/20/33/1074372033.db2.gz PCZIZGGAYXSRJR-UHFFFAOYSA-N 1 3 383.492 3.687 20 10 GHCDHO CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c([O-])c1 ZINC000768669080 873492662 /nfs/dbraw/zinc/49/26/62/873492662.db2.gz CAKIJOVGUFBXJJ-UHFFFAOYSA-N 1 3 395.547 3.613 20 10 GHCDHO CCOCc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000850363112 876851180 /nfs/dbraw/zinc/85/11/80/876851180.db2.gz ZOHPSLNUZGEUBJ-UHFFFAOYSA-N 1 3 383.536 3.629 20 10 GHCDHO OC1CCN(c2ccc(CNCc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000850405993 876886767 /nfs/dbraw/zinc/88/67/67/876886767.db2.gz NKHBPDVDKSPAOF-UHFFFAOYSA-N 1 3 393.575 3.923 20 10 GHCDHO CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC[NH+](C)CC1 ZINC000810252216 888352806 /nfs/dbraw/zinc/35/28/06/888352806.db2.gz LVOIIQNKHQUHEV-CYBMUJFWSA-N 1 3 387.387 3.941 20 10 GHCDHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000873247938 891549667 /nfs/dbraw/zinc/54/96/67/891549667.db2.gz WOWSPFJEKIJAST-GOSISDBHSA-N 1 3 390.535 3.567 20 10 GHCDHO CN1CC[NH+](CCCC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815558610 893998917 /nfs/dbraw/zinc/99/89/17/893998917.db2.gz ITSBNLAETJXVEB-HSZRJFAPSA-N 1 3 381.564 3.683 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000817984770 895992617 /nfs/dbraw/zinc/99/26/17/895992617.db2.gz ZMRUMZHMGGEPGE-VQIMIIECSA-N 1 3 383.511 3.663 20 10 GHCDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC001177737891 908733270 /nfs/dbraw/zinc/73/32/70/908733270.db2.gz YNAWEPPWEFGCTM-UHFFFAOYSA-N 1 3 378.520 3.682 20 10 GHCDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC001177737891 908733282 /nfs/dbraw/zinc/73/32/82/908733282.db2.gz YNAWEPPWEFGCTM-UHFFFAOYSA-N 1 3 378.520 3.682 20 10 GHCDHO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787739 /nfs/dbraw/zinc/78/77/39/909787739.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787748 /nfs/dbraw/zinc/78/77/48/909787748.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO CCOCc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000283883820 911682100 /nfs/dbraw/zinc/68/21/00/911682100.db2.gz HFZJRPRNKLFBSD-UHFFFAOYSA-N 1 3 398.547 3.995 20 10 GHCDHO CCCn1nc(C)c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1C ZINC000092855895 911866751 /nfs/dbraw/zinc/86/67/51/911866751.db2.gz BCFVYWWNFLAZPG-UHFFFAOYSA-N 1 3 395.595 3.732 20 10 GHCDHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C2CCC2)c1 ZINC000925675960 931872696 /nfs/dbraw/zinc/87/26/96/931872696.db2.gz IHWFPJAALATRCU-LJQANCHMSA-N 1 3 393.579 3.991 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(CC(OCC5CC5)C4)CC3)cc2)CC1 ZINC001140304995 1021359972 /nfs/dbraw/zinc/35/99/72/1021359972.db2.gz JLLUIMHWTXYHPV-UHFFFAOYSA-N 1 3 397.607 4.000 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309477 1021371203 /nfs/dbraw/zinc/37/12/03/1021371203.db2.gz HXCKQOMUVHQZNC-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309477 1021371219 /nfs/dbraw/zinc/37/12/19/1021371219.db2.gz HXCKQOMUVHQZNC-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO COc1ccc(O)c([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000756431566 1023645905 /nfs/dbraw/zinc/64/59/05/1023645905.db2.gz NOFJRABBKQERTB-HXUWFJFHSA-N 1 3 397.563 3.649 20 10 GHCDHO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235095608 1040585625 /nfs/dbraw/zinc/58/56/25/1040585625.db2.gz VHLOROJKWSSMQY-OAQYLSRUSA-N 1 3 388.458 3.792 20 10 GHCDHO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235095608 1040585650 /nfs/dbraw/zinc/58/56/50/1040585650.db2.gz VHLOROJKWSSMQY-OAQYLSRUSA-N 1 3 388.458 3.792 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(OC)c1 ZINC001236383166 1041691724 /nfs/dbraw/zinc/69/17/24/1041691724.db2.gz SBQJGQRDNKFFFK-UHFFFAOYSA-N 1 3 388.483 3.550 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(OC)c1 ZINC001236383166 1041691729 /nfs/dbraw/zinc/69/17/29/1041691729.db2.gz SBQJGQRDNKFFFK-UHFFFAOYSA-N 1 3 388.483 3.550 20 10 GHCDHO CCc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001236788410 1041894593 /nfs/dbraw/zinc/89/45/93/1041894593.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 1 3 398.591 3.915 20 10 GHCDHO CCc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001236788410 1041894602 /nfs/dbraw/zinc/89/46/02/1041894602.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 1 3 398.591 3.915 20 10 GHCDHO CCN(Cc1ccccc1)c1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1 ZINC000848557065 1057177062 /nfs/dbraw/zinc/17/70/62/1057177062.db2.gz HGEVRICKNXWJIB-UHFFFAOYSA-N 1 3 381.564 3.650 20 10 GHCDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066990443 842674789 /nfs/dbraw/zinc/67/47/89/842674789.db2.gz XCZYOJJZBAIECB-UHFFFAOYSA-N 1 3 385.527 3.792 20 10 GHCDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066990443 842674798 /nfs/dbraw/zinc/67/47/98/842674798.db2.gz XCZYOJJZBAIECB-UHFFFAOYSA-N 1 3 385.527 3.792 20 10 GHCDHO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856560429 881440683 /nfs/dbraw/zinc/44/06/83/881440683.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 1 3 399.535 3.679 20 10 GHCDHO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856560429 881440688 /nfs/dbraw/zinc/44/06/88/881440688.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 1 3 399.535 3.679 20 10 GHCDHO Cc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856560181 881440204 /nfs/dbraw/zinc/44/02/04/881440204.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 1 3 383.536 3.898 20 10 GHCDHO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856560181 881440209 /nfs/dbraw/zinc/44/02/09/881440209.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 1 3 383.536 3.898 20 10 GHCDHO Cc1c2ccccc2n(C)c1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001200901526 875408190 /nfs/dbraw/zinc/40/81/90/875408190.db2.gz KMPQHFZHYBAQNT-UHFFFAOYSA-N 1 3 377.532 3.733 20 10 GHCDHO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC001200901526 875408192 /nfs/dbraw/zinc/40/81/92/875408192.db2.gz KMPQHFZHYBAQNT-UHFFFAOYSA-N 1 3 377.532 3.733 20 10 GHCDHO CC1(C)C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000850406226 876888388 /nfs/dbraw/zinc/88/83/88/876888388.db2.gz XWOPYBNXTNSTPZ-QFIPXVFZSA-N 1 3 393.575 3.790 20 10 GHCDHO CC1(C)C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000850406226 876888395 /nfs/dbraw/zinc/88/83/95/876888395.db2.gz XWOPYBNXTNSTPZ-QFIPXVFZSA-N 1 3 393.575 3.790 20 10 GHCDHO COc1ccc(N2CC[C@@H](NC3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488060 876963928 /nfs/dbraw/zinc/96/39/28/876963928.db2.gz PSKATPAAXPPMSD-NFBKMPQASA-N 1 3 393.575 3.959 20 10 GHCDHO COc1ccc(N2CC[C@H](NC3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488063 876964045 /nfs/dbraw/zinc/96/40/45/876964045.db2.gz PSKATPAAXPPMSD-OFNKIYASSA-N 1 3 393.575 3.959 20 10 GHCDHO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149728 893522074 /nfs/dbraw/zinc/52/20/74/893522074.db2.gz XRAXMLDTXVYSPL-JOCHJYFZSA-N 1 3 380.532 3.719 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897920 895954437 /nfs/dbraw/zinc/95/44/37/895954437.db2.gz AUFYLCLEDJQFDU-JOCLIGHLSA-N 1 3 379.495 3.767 20 10 GHCDHO CCN1CCN(CCC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824085726 899387340 /nfs/dbraw/zinc/38/73/40/899387340.db2.gz PHIZUHCIENXZFZ-UHFFFAOYSA-N 1 3 386.609 3.502 20 10 GHCDHO CCCOc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c([O-])c1 ZINC000283876309 911678288 /nfs/dbraw/zinc/67/82/88/911678288.db2.gz GXDZHLDJKBLQGA-UHFFFAOYSA-N 1 3 384.520 3.944 20 10 GHCDHO c1ccc([C@@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)nc1 ZINC000903132358 922798747 /nfs/dbraw/zinc/79/87/47/922798747.db2.gz YPIZNYSKPOZVAC-DEOSSOPVSA-N 1 3 376.548 3.855 20 10 GHCDHO COc1cccc([O-])c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000749110962 924027538 /nfs/dbraw/zinc/02/75/38/924027538.db2.gz VXDNSFJPGFZMEA-UHFFFAOYSA-N 1 3 384.520 3.562 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Oc4ccccc4)CC3)cc2)CC1 ZINC001140301835 1021352116 /nfs/dbraw/zinc/35/21/16/1021352116.db2.gz AUFXDMXRJYBOKF-UHFFFAOYSA-N 1 3 379.548 3.872 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4OCC3CC3)cc2)CC1 ZINC001140304933 1021359136 /nfs/dbraw/zinc/35/91/36/1021359136.db2.gz HRAXTSWVPWRMGE-PZUNEJSGSA-N 1 3 397.607 3.856 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4OCC3CC3)cc2)CC1 ZINC001140304933 1021359152 /nfs/dbraw/zinc/35/91/52/1021359152.db2.gz HRAXTSWVPWRMGE-PZUNEJSGSA-N 1 3 397.607 3.856 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C)[C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306210 1021361833 /nfs/dbraw/zinc/36/18/33/1021361833.db2.gz PFJKVPYOEWMBPX-HXUWFJFHSA-N 1 3 381.564 3.900 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306210 1021361849 /nfs/dbraw/zinc/36/18/49/1021361849.db2.gz PFJKVPYOEWMBPX-HXUWFJFHSA-N 1 3 381.564 3.900 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](CC)Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC001140309729 1021369740 /nfs/dbraw/zinc/36/97/40/1021369740.db2.gz RZKQTAXGOZXZGT-UHFFFAOYSA-N 1 3 380.580 3.917 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](CC)Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC001140309729 1021369759 /nfs/dbraw/zinc/36/97/59/1021369759.db2.gz RZKQTAXGOZXZGT-UHFFFAOYSA-N 1 3 380.580 3.917 20 10 GHCDHO CCc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755783392 1023375949 /nfs/dbraw/zinc/37/59/49/1023375949.db2.gz XZIZJAFIOIKCCZ-CBQGHPETSA-N 1 3 399.623 3.995 20 10 GHCDHO CCc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755783392 1023375962 /nfs/dbraw/zinc/37/59/62/1023375962.db2.gz XZIZJAFIOIKCCZ-CBQGHPETSA-N 1 3 399.623 3.995 20 10 GHCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(O)c1C ZINC000756731824 1023792416 /nfs/dbraw/zinc/79/24/16/1023792416.db2.gz DTIREDPJIOCIHS-IBGZPJMESA-N 1 3 395.547 3.685 20 10 GHCDHO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139412011 1026283112 /nfs/dbraw/zinc/28/31/12/1026283112.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 1 3 392.591 3.535 20 10 GHCDHO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139412011 1026283122 /nfs/dbraw/zinc/28/31/22/1026283122.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 1 3 392.591 3.535 20 10 GHCDHO Cc1c(O)ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222582777 1030209399 /nfs/dbraw/zinc/20/93/99/1030209399.db2.gz GKEIGENOMFNOAT-OAQYLSRUSA-N 1 3 396.531 3.710 20 10 GHCDHO Cc1c(O)ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222582777 1030209409 /nfs/dbraw/zinc/20/94/09/1030209409.db2.gz GKEIGENOMFNOAT-OAQYLSRUSA-N 1 3 396.531 3.710 20 10 GHCDHO CN1CCC[C@@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613936 1034955321 /nfs/dbraw/zinc/95/53/21/1034955321.db2.gz IIOCPAALBSJVFD-JOCHJYFZSA-N 1 3 379.548 3.729 20 10 GHCDHO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160929584 1035096974 /nfs/dbraw/zinc/09/69/74/1035096974.db2.gz HYEOSVLGKOSSGO-DEOSSOPVSA-N 1 3 391.559 3.522 20 10 GHCDHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001300646396 1056761319 /nfs/dbraw/zinc/76/13/19/1056761319.db2.gz HHNOLZAKKBSNLV-IBGZPJMESA-N 1 3 398.595 3.713 20 10 GHCDHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001300646396 1056761324 /nfs/dbraw/zinc/76/13/24/1056761324.db2.gz HHNOLZAKKBSNLV-IBGZPJMESA-N 1 3 398.595 3.713 20 10 GHCDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441048 /nfs/dbraw/zinc/44/10/48/881441048.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 1 3 382.552 3.641 20 10 GHCDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441059 /nfs/dbraw/zinc/44/10/59/881441059.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 1 3 382.552 3.641 20 10 GHCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000174103188 865442581 /nfs/dbraw/zinc/44/25/81/865442581.db2.gz WPTKOVHTFFQUQC-UHFFFAOYSA-N 1 3 384.520 3.631 20 10 GHCDHO CN(C)c1ccccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669107 873492599 /nfs/dbraw/zinc/49/25/99/873492599.db2.gz CMXOBLGXCAIXJI-UHFFFAOYSA-N 1 3 378.564 3.574 20 10 GHCDHO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[O-] ZINC000850582472 877055861 /nfs/dbraw/zinc/05/58/61/877055861.db2.gz JZSBHQKEDRAYFG-CYBMUJFWSA-N 1 3 397.357 3.936 20 10 GHCDHO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578365 895746789 /nfs/dbraw/zinc/74/67/89/895746789.db2.gz UPPQNPDERPZJOE-HNNXBMFYSA-N 1 3 376.907 3.867 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)cc2)CC1 ZINC001140304392 1021354475 /nfs/dbraw/zinc/35/44/75/1021354475.db2.gz NFWGZJILCNOTQJ-UHFFFAOYSA-N 1 3 391.559 3.850 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304303 1021354791 /nfs/dbraw/zinc/35/47/91/1021354791.db2.gz MPLQLDKREBOVBD-HSZRJFAPSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304303 1021354811 /nfs/dbraw/zinc/35/48/11/1021354811.db2.gz MPLQLDKREBOVBD-HSZRJFAPSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(COc5ccccc54)CC3)cc2)CC1 ZINC001140309609 1021370813 /nfs/dbraw/zinc/37/08/13/1021370813.db2.gz NKBGZALMEVIHBO-UHFFFAOYSA-N 1 3 391.559 3.755 20 10 GHCDHO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001140952518 1022981800 /nfs/dbraw/zinc/98/18/00/1022981800.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001140952518 1022981802 /nfs/dbraw/zinc/98/18/02/1022981802.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO COc1cc(CN2CCC3(CC2)OCCc2ccccc23)cc(C[NH+](C)C)c1O ZINC001139257501 1026107953 /nfs/dbraw/zinc/10/79/53/1026107953.db2.gz COVDUPCZOVPKDO-UHFFFAOYSA-N 1 3 396.531 3.526 20 10 GHCDHO CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccc3)c1[O-])CC[NH2+]CC2 ZINC001222225563 1030020447 /nfs/dbraw/zinc/02/04/47/1030020447.db2.gz FQKNCLVGLQQUSE-OAQYLSRUSA-N 1 3 394.515 3.566 20 10 GHCDHO CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1[O-])CC[NH2+]CC2 ZINC001222225563 1030020464 /nfs/dbraw/zinc/02/04/64/1030020464.db2.gz FQKNCLVGLQQUSE-OAQYLSRUSA-N 1 3 394.515 3.566 20 10 GHCDHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588026 1034742829 /nfs/dbraw/zinc/74/28/29/1034742829.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588026 1034742846 /nfs/dbraw/zinc/74/28/46/1034742846.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588026 1034742862 /nfs/dbraw/zinc/74/28/62/1034742862.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 1 3 380.532 3.726 20 10 GHCDHO COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231588026 1034742878 /nfs/dbraw/zinc/74/28/78/1034742878.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 1 3 380.532 3.726 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001331383027 1051265591 /nfs/dbraw/zinc/26/55/91/1051265591.db2.gz ZUDHBLRPBIVKSC-AZUAARDMSA-N 1 3 380.532 3.866 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001337785719 1058263092 /nfs/dbraw/zinc/26/30/92/1058263092.db2.gz QSLSVQAJFKVORK-GHTZIAJQSA-N 1 3 379.548 3.786 20 10 GHCDHO CCN(Cc1ccccc1)c1ccc(CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000236965123 845066614 /nfs/dbraw/zinc/06/66/14/845066614.db2.gz NJYVGVOIUCRENL-UHFFFAOYSA-N 1 3 381.564 3.650 20 10 GHCDHO CC(C)N1CCN(Cc2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)c(F)c2)CC1 ZINC001167627370 848558996 /nfs/dbraw/zinc/55/89/96/848558996.db2.gz CLJWWQHHSBLNRY-UHFFFAOYSA-N 1 3 390.591 3.836 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010662 881873824 /nfs/dbraw/zinc/87/38/24/881873824.db2.gz PPMCYQRIYHIDLE-WOJBJXKFSA-N 1 3 399.501 3.629 20 10 GHCDHO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC001183046615 912215927 /nfs/dbraw/zinc/21/59/27/912215927.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 1 3 399.535 3.598 20 10 GHCDHO COc1cc(C)cc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC001183046615 912215943 /nfs/dbraw/zinc/21/59/43/912215943.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 1 3 399.535 3.598 20 10 GHCDHO Cn1ncc(C2CCC2)c1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850235345 876746433 /nfs/dbraw/zinc/74/64/33/876746433.db2.gz WCRRDFSUBNQDIL-UHFFFAOYSA-N 1 3 393.579 3.509 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850567477 877034646 /nfs/dbraw/zinc/03/46/46/877034646.db2.gz CXBIABSSHDDDAL-OFNKIYASSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567477 877034660 /nfs/dbraw/zinc/03/46/60/877034660.db2.gz CXBIABSSHDDDAL-OFNKIYASSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567477 877034674 /nfs/dbraw/zinc/03/46/74/877034674.db2.gz CXBIABSSHDDDAL-OFNKIYASSA-N 1 3 393.575 3.648 20 10 GHCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248178 877364779 /nfs/dbraw/zinc/36/47/79/877364779.db2.gz HWRWLRVSIMAYKJ-HSZRJFAPSA-N 1 3 396.531 3.562 20 10 GHCDHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000808719149 886701721 /nfs/dbraw/zinc/70/17/21/886701721.db2.gz DEHFNUSJGCCOPI-QGZVFWFLSA-N 1 3 383.536 3.847 20 10 GHCDHO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787225 /nfs/dbraw/zinc/78/72/25/909787225.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787232 /nfs/dbraw/zinc/78/72/32/909787232.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO CCOc1ccccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092856017 911868588 /nfs/dbraw/zinc/86/85/88/911868588.db2.gz UCUOSNIWNYBIQU-UHFFFAOYSA-N 1 3 379.548 3.907 20 10 GHCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146482 928048590 /nfs/dbraw/zinc/04/85/90/928048590.db2.gz HMKMMVSXFRPWFY-OFNKIYASSA-N 1 3 379.548 3.666 20 10 GHCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146482 928048599 /nfs/dbraw/zinc/04/85/99/928048599.db2.gz HMKMMVSXFRPWFY-OFNKIYASSA-N 1 3 379.548 3.666 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001140853096 1022703052 /nfs/dbraw/zinc/70/30/52/1022703052.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 1 3 389.584 3.561 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001140853096 1022703062 /nfs/dbraw/zinc/70/30/62/1022703062.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 1 3 389.584 3.561 20 10 GHCDHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189729 1055089281 /nfs/dbraw/zinc/08/92/81/1055089281.db2.gz IYCATTDTWAPCSO-DEOSSOPVSA-N 1 3 380.580 3.741 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935673 1074210477 /nfs/dbraw/zinc/21/04/77/1074210477.db2.gz BUTXZNIOKISUKD-WAYWQWQTSA-N 1 3 392.591 3.693 20 10 GHCDHO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528586 /nfs/dbraw/zinc/52/85/86/838528586.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1cc(O)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528592 /nfs/dbraw/zinc/52/85/92/838528592.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618323 /nfs/dbraw/zinc/61/83/23/878618323.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618340 /nfs/dbraw/zinc/61/83/40/878618340.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 1 3 384.520 3.894 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCN(Cc1ccccc1)C3)OCO2 ZINC000747466218 886144193 /nfs/dbraw/zinc/14/41/93/886144193.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 1 3 380.488 3.609 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCN(Cc1ccccc1)C3)OCO2 ZINC000747466218 886144203 /nfs/dbraw/zinc/14/42/03/886144203.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 1 3 380.488 3.609 20 10 GHCDHO CN(Cc1cccs1)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000877746082 893785544 /nfs/dbraw/zinc/78/55/44/893785544.db2.gz GZNIJSQIJCZRNN-UHFFFAOYSA-N 1 3 398.620 3.596 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778643772 897841758 /nfs/dbraw/zinc/84/17/58/897841758.db2.gz WIOJERSTNKTZSH-KNQAVFIVSA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000773143678 904483584 /nfs/dbraw/zinc/48/35/84/904483584.db2.gz CBLPFKSUEFHDCA-SFHVURJKSA-N 1 3 394.519 3.978 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339006 909497124 /nfs/dbraw/zinc/49/71/24/909497124.db2.gz QEBAQTRJNARJAC-REWPJTCUSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339006 909497196 /nfs/dbraw/zinc/49/71/96/909497196.db2.gz QEBAQTRJNARJAC-REWPJTCUSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339006 909497200 /nfs/dbraw/zinc/49/72/00/909497200.db2.gz QEBAQTRJNARJAC-REWPJTCUSA-N 1 3 393.575 3.505 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309766 1021369821 /nfs/dbraw/zinc/36/98/21/1021369821.db2.gz UCSFMIKGAJYHED-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309766 1021369835 /nfs/dbraw/zinc/36/98/35/1021369835.db2.gz UCSFMIKGAJYHED-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433194 1023645876 /nfs/dbraw/zinc/64/58/76/1023645876.db2.gz AMBVKTWPIUJMOF-LJQANCHMSA-N 1 3 393.575 3.869 20 10 GHCDHO CCOc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1O ZINC000838981063 1025498271 /nfs/dbraw/zinc/49/82/71/1025498271.db2.gz CHLMZXOHXRQGCI-UHFFFAOYSA-N 1 3 395.547 3.613 20 10 GHCDHO COc1ccc(C2CCN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)cc1 ZINC001139257151 1026107775 /nfs/dbraw/zinc/10/77/75/1026107775.db2.gz SYEAZBIOJJNIIW-UHFFFAOYSA-N 1 3 384.520 3.851 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000840883989 1027921213 /nfs/dbraw/zinc/92/12/13/1027921213.db2.gz IHDRPFCOVZQOIL-VQIMIIECSA-N 1 3 384.495 3.696 20 10 GHCDHO C[NH+]1CCC(C2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)CC2)CC1 ZINC001232203308 1035160103 /nfs/dbraw/zinc/16/01/03/1035160103.db2.gz STBXGYJNAGSVHR-UHFFFAOYSA-N 1 3 391.987 3.730 20 10 GHCDHO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001255398349 1040983942 /nfs/dbraw/zinc/98/39/42/1040983942.db2.gz JSJMKTBYTSQVBC-QFIPXVFZSA-N 1 3 379.548 3.872 20 10 GHCDHO Oc1c(CN(Cc2ccccc2)C2CC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001236300569 1041665332 /nfs/dbraw/zinc/66/53/32/1041665332.db2.gz SSTIJSXBUMOKAD-UHFFFAOYSA-N 1 3 391.559 3.845 20 10 GHCDHO COc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000848549910 1057171826 /nfs/dbraw/zinc/17/18/26/1057171826.db2.gz XIZCFYGJEKLCKN-LBPRGKRZSA-N 1 3 383.330 3.688 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850851 855660450 /nfs/dbraw/zinc/66/04/50/855660450.db2.gz BWLCJPAVYZAPLN-MRXNPFEDSA-N 1 3 389.490 3.966 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1OC ZINC000768465278 873329956 /nfs/dbraw/zinc/32/99/56/873329956.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1OC ZINC000768465278 873329969 /nfs/dbraw/zinc/32/99/69/873329969.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(OC)c1 ZINC000092855783 911866712 /nfs/dbraw/zinc/86/67/12/911866712.db2.gz BVUDSUGMPRGRGN-UHFFFAOYSA-N 1 3 395.547 3.526 20 10 GHCDHO CCN1CCN(c2ccc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236268636 1032592209 /nfs/dbraw/zinc/59/22/09/1032592209.db2.gz BQRKMKWOCXVVLI-VWLOTQADSA-N 1 3 392.591 3.583 20 10 GHCDHO CCCN1CCN(c2ccccc2C[NH2+]CCCSc2nccs2)CC1 ZINC000756121371 1023528082 /nfs/dbraw/zinc/52/80/82/1023528082.db2.gz ZVULFTBUVOCLAR-UHFFFAOYSA-N 1 3 390.622 3.947 20 10 GHCDHO Oc1c(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336833 1024698258 /nfs/dbraw/zinc/69/82/58/1024698258.db2.gz FWPNYVZAJFHFFH-NRFANRHFSA-N 1 3 383.580 3.931 20 10 GHCDHO Oc1c(C[N@H+]2CCCC[C@H]2CCN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336833 1024698262 /nfs/dbraw/zinc/69/82/62/1024698262.db2.gz FWPNYVZAJFHFFH-NRFANRHFSA-N 1 3 383.580 3.931 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3ccccc3C(C)(C)[NH3+])CC2)cc1 ZINC001164336369 1026490476 /nfs/dbraw/zinc/49/04/76/1026490476.db2.gz ZIQHUEAPIXPYMO-UHFFFAOYSA-N 1 3 382.552 3.513 20 10 GHCDHO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235151782 1040641742 /nfs/dbraw/zinc/64/17/42/1040641742.db2.gz BHZJJGWCDGBRAG-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235151782 1040641751 /nfs/dbraw/zinc/64/17/51/1040641751.db2.gz BHZJJGWCDGBRAG-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO Clc1cc(N2CCOCC2)ccc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236972 1040718076 /nfs/dbraw/zinc/71/80/76/1040718076.db2.gz IIOARBIZIQWMHO-OAQYLSRUSA-N 1 3 377.960 3.531 20 10 GHCDHO Clc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1N1CCOCC1 ZINC001235243060 1040724696 /nfs/dbraw/zinc/72/46/96/1040724696.db2.gz VQJJCGIQCPFSRU-HXUWFJFHSA-N 1 3 377.960 3.531 20 10 GHCDHO Cc1cc(Br)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC001462661897 1070452674 /nfs/dbraw/zinc/45/26/74/1070452674.db2.gz GEQKYXDYPATUGS-UHFFFAOYSA-N 1 3 376.298 3.617 20 10 GHCDHO Cc1c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cccc1[N+](=O)[O-] ZINC001308334011 1049951562 /nfs/dbraw/zinc/95/15/62/1049951562.db2.gz USMCBSBOCBKFHP-UHFFFAOYSA-N 1 3 394.519 3.725 20 10 GHCDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440423 /nfs/dbraw/zinc/44/04/23/881440423.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 1 3 382.552 3.641 20 10 GHCDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440433 /nfs/dbraw/zinc/44/04/33/881440433.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 1 3 382.552 3.641 20 10 GHCDHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000817888653 895931085 /nfs/dbraw/zinc/93/10/85/895931085.db2.gz OCFOWKLJINXCIT-FYYLOGMGSA-N 1 3 395.572 3.585 20 10 GHCDHO Cc1cc([O-])c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000824895009 899865030 /nfs/dbraw/zinc/86/50/30/899865030.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO Cc1cc([O-])c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000824895009 899865038 /nfs/dbraw/zinc/86/50/38/899865038.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO COc1cc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620622 925842751 /nfs/dbraw/zinc/84/27/51/925842751.db2.gz HIWZRSRQBUTISB-HXUWFJFHSA-N 1 3 396.531 3.801 20 10 GHCDHO C[C@]1(CNCc2ccc(N3CCOCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497869 932672268 /nfs/dbraw/zinc/67/22/68/932672268.db2.gz GNEPKHDTLCINRS-XMMPIXPASA-N 1 3 379.548 3.525 20 10 GHCDHO C[C@]1(CNCc2ccc(N3CCOCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497869 932672274 /nfs/dbraw/zinc/67/22/74/932672274.db2.gz GNEPKHDTLCINRS-XMMPIXPASA-N 1 3 379.548 3.525 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001116585197 933647662 /nfs/dbraw/zinc/64/76/62/933647662.db2.gz SOCVDOYRGWHTEP-RXVVDRJESA-N 1 3 379.548 3.786 20 10 GHCDHO C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1)C1CCOCC1 ZINC000834562118 1021273921 /nfs/dbraw/zinc/27/39/21/1021273921.db2.gz CPTDJGSVGFQDJQ-QFIPXVFZSA-N 1 3 396.531 3.659 20 10 GHCDHO C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1)C1CCOCC1 ZINC000834562118 1021273935 /nfs/dbraw/zinc/27/39/35/1021273935.db2.gz CPTDJGSVGFQDJQ-QFIPXVFZSA-N 1 3 396.531 3.659 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccccc4OC)C3)cc2)CC1 ZINC001140299859 1021344502 /nfs/dbraw/zinc/34/45/02/1021344502.db2.gz HIDDUJZLTZGGJW-NRFANRHFSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccccc4OC)C3)cc2)CC1 ZINC001140299859 1021344519 /nfs/dbraw/zinc/34/45/19/1021344519.db2.gz HIDDUJZLTZGGJW-NRFANRHFSA-N 1 3 379.548 3.827 20 10 GHCDHO C[NH+]1CCC2(C[NH+](Cc3c([O-])ccc4cc(Br)ccc43)C2)CC1 ZINC001233195439 1038962055 /nfs/dbraw/zinc/96/20/55/1038962055.db2.gz ITAAOFRZGAVJPN-UHFFFAOYSA-N 1 3 375.310 3.836 20 10 GHCDHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238042 1041638544 /nfs/dbraw/zinc/63/85/44/1041638544.db2.gz XWNZCWZJZKUWOG-BVSLBCMMSA-N 1 3 399.579 3.571 20 10 GHCDHO COc1ccc(C[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545343 1041758933 /nfs/dbraw/zinc/75/89/33/1041758933.db2.gz OJTDOZVKTQZPFR-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1ccc(C[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545343 1041758937 /nfs/dbraw/zinc/75/89/37/1041758937.db2.gz OJTDOZVKTQZPFR-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126662751 893769199 /nfs/dbraw/zinc/76/91/99/893769199.db2.gz SDFRDNUIGHQYIZ-HXUWFJFHSA-N 1 3 380.580 3.741 20 10 GHCDHO c1c2cccnc2oc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000824037301 899355469 /nfs/dbraw/zinc/35/54/69/899355469.db2.gz IUDPEEKTWXKGDT-UHFFFAOYSA-N 1 3 376.504 3.650 20 10 GHCDHO C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1[O-] ZINC000183487989 907399396 /nfs/dbraw/zinc/39/93/96/907399396.db2.gz QRLJVZMEEUUOMY-SFHVURJKSA-N 1 3 384.520 3.733 20 10 GHCDHO C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1[O-] ZINC000183487989 907399409 /nfs/dbraw/zinc/39/94/09/907399409.db2.gz QRLJVZMEEUUOMY-SFHVURJKSA-N 1 3 384.520 3.733 20 10 GHCDHO C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1 ZINC001182544586 911865267 /nfs/dbraw/zinc/86/52/67/911865267.db2.gz QWEQZGNVDMIDHX-AEFFLSMTSA-N 1 3 375.310 3.590 20 10 GHCDHO C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1 ZINC001182544586 911865278 /nfs/dbraw/zinc/86/52/78/911865278.db2.gz QWEQZGNVDMIDHX-AEFFLSMTSA-N 1 3 375.310 3.590 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501173 918393467 /nfs/dbraw/zinc/39/34/67/918393467.db2.gz CGFJYZKBQPGWKU-HNNXBMFYSA-N 1 3 376.907 3.867 20 10 GHCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146484 928049030 /nfs/dbraw/zinc/04/90/30/928049030.db2.gz HMKMMVSXFRPWFY-REWPJTCUSA-N 1 3 379.548 3.666 20 10 GHCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146484 928049044 /nfs/dbraw/zinc/04/90/44/928049044.db2.gz HMKMMVSXFRPWFY-REWPJTCUSA-N 1 3 379.548 3.666 20 10 GHCDHO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCN(CC)CC4)cc3)C2)n1 ZINC001140305507 1021360019 /nfs/dbraw/zinc/36/00/19/1021360019.db2.gz ACVZAIHAYNYRGE-HXUWFJFHSA-N 1 3 397.567 3.544 20 10 GHCDHO CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCN(CC)CC4)cc3)C2)n1 ZINC001140305507 1021360035 /nfs/dbraw/zinc/36/00/35/1021360035.db2.gz ACVZAIHAYNYRGE-HXUWFJFHSA-N 1 3 397.567 3.544 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148977 1029978909 /nfs/dbraw/zinc/97/89/09/1029978909.db2.gz SWTKUHRWODZGLJ-IBGZPJMESA-N 1 3 375.310 3.883 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148977 1029978916 /nfs/dbraw/zinc/97/89/16/1029978916.db2.gz SWTKUHRWODZGLJ-IBGZPJMESA-N 1 3 375.310 3.883 20 10 GHCDHO C[NH+]1CCC(C)(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001208115177 1034741664 /nfs/dbraw/zinc/74/16/64/1034741664.db2.gz GHCSRUYUCRXLPJ-UHFFFAOYSA-N 1 3 394.563 3.515 20 10 GHCDHO CCCN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089923 1041527638 /nfs/dbraw/zinc/52/76/38/1041527638.db2.gz ZHSWGXNVLANOTE-HXUWFJFHSA-N 1 3 394.563 3.644 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010661 881873608 /nfs/dbraw/zinc/87/36/08/881873608.db2.gz PPMCYQRIYHIDLE-VQTJNVASSA-N 1 3 399.501 3.629 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566389 877033092 /nfs/dbraw/zinc/03/30/92/877033092.db2.gz NAXMBOBLOKCZIK-NBGIEHNGSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566389 877033101 /nfs/dbraw/zinc/03/31/01/877033101.db2.gz NAXMBOBLOKCZIK-NBGIEHNGSA-N 1 3 393.575 3.648 20 10 GHCDHO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103445 878493007 /nfs/dbraw/zinc/49/30/07/878493007.db2.gz LOAWJLIKTCABAC-QGZVFWFLSA-N 1 3 395.526 3.705 20 10 GHCDHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648123 886615752 /nfs/dbraw/zinc/61/57/52/886615752.db2.gz HQBDDKJEQMYAGV-RBUKOAKNSA-N 1 3 377.548 3.968 20 10 GHCDHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648123 886615758 /nfs/dbraw/zinc/61/57/58/886615758.db2.gz HQBDDKJEQMYAGV-RBUKOAKNSA-N 1 3 377.548 3.968 20 10 GHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1[O-] ZINC000808699285 886721954 /nfs/dbraw/zinc/72/19/54/886721954.db2.gz CYORAAAXIHOWHB-QGZVFWFLSA-N 1 3 379.976 3.955 20 10 GHCDHO FC(F)c1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000865516623 888401288 /nfs/dbraw/zinc/40/12/88/888401288.db2.gz AJMMGSBYQXMGGT-UHFFFAOYSA-N 1 3 386.490 3.841 20 10 GHCDHO CSC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC[NH+](C)CC1 ZINC000811513993 889708526 /nfs/dbraw/zinc/70/85/26/889708526.db2.gz YXRSYDUDKGEQAO-UHFFFAOYSA-N 1 3 386.561 3.888 20 10 GHCDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900801 895954499 /nfs/dbraw/zinc/95/44/99/895954499.db2.gz SAIQPLMDNYOWHG-YRISNDGFSA-N 1 3 389.490 3.805 20 10 GHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1[O-] ZINC000817984748 895992649 /nfs/dbraw/zinc/99/26/49/895992649.db2.gz YRYNAJQEFRCALE-KRWDZBQOSA-N 1 3 387.955 3.998 20 10 GHCDHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000271240388 910829854 /nfs/dbraw/zinc/82/98/54/910829854.db2.gz YGIFFTAQVSXGFS-UHFFFAOYSA-N 1 3 384.612 3.667 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001116585195 933648034 /nfs/dbraw/zinc/64/80/34/933648034.db2.gz SOCVDOYRGWHTEP-GHTZIAJQSA-N 1 3 379.548 3.786 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccccc4OC)C3)cc2)CC1 ZINC001140299861 1021344624 /nfs/dbraw/zinc/34/46/24/1021344624.db2.gz HIDDUJZLTZGGJW-OAQYLSRUSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccccc4OC)C3)cc2)CC1 ZINC001140299861 1021344640 /nfs/dbraw/zinc/34/46/40/1021344640.db2.gz HIDDUJZLTZGGJW-OAQYLSRUSA-N 1 3 379.548 3.827 20 10 GHCDHO CCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000754072262 1022461986 /nfs/dbraw/zinc/46/19/86/1022461986.db2.gz YXBPOEBWLMQQEX-UHFFFAOYSA-N 1 3 382.504 3.903 20 10 GHCDHO CC(C)c1ccc(O)c(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001204816843 1033103761 /nfs/dbraw/zinc/10/37/61/1033103761.db2.gz OGYLFQSKAOZQOM-UHFFFAOYSA-N 1 3 397.563 3.778 20 10 GHCDHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606898 1023735340 /nfs/dbraw/zinc/73/53/40/1023735340.db2.gz FJUJFNMQPQKVPD-FUHWJXTLSA-N 1 3 375.532 3.620 20 10 GHCDHO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099678 1028135060 /nfs/dbraw/zinc/13/50/60/1028135060.db2.gz NJWBJMGUTUKCGP-IBGZPJMESA-N 1 3 399.583 3.875 20 10 GHCDHO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099678 1028135075 /nfs/dbraw/zinc/13/50/75/1028135075.db2.gz NJWBJMGUTUKCGP-IBGZPJMESA-N 1 3 399.583 3.875 20 10 GHCDHO Cc1c(O)ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222582776 1030210199 /nfs/dbraw/zinc/21/01/99/1030210199.db2.gz GKEIGENOMFNOAT-NRFANRHFSA-N 1 3 396.531 3.710 20 10 GHCDHO Cc1c(O)ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222582776 1030210216 /nfs/dbraw/zinc/21/02/16/1030210216.db2.gz GKEIGENOMFNOAT-NRFANRHFSA-N 1 3 396.531 3.710 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382213 /nfs/dbraw/zinc/38/22/13/1039382213.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 1 3 388.533 3.597 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382225 /nfs/dbraw/zinc/38/22/25/1039382225.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 1 3 388.533 3.597 20 10 GHCDHO CN1CCC[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533497 1040305377 /nfs/dbraw/zinc/30/53/77/1040305377.db2.gz LQDVZJVFJGXSMP-JOCHJYFZSA-N 1 3 379.548 3.872 20 10 GHCDHO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)c(O)c1 ZINC001235366637 1040858687 /nfs/dbraw/zinc/85/86/87/1040858687.db2.gz DWWYPLDDKMUAQQ-DHLKQENFSA-N 1 3 393.575 3.992 20 10 GHCDHO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)c(O)c1 ZINC001235366637 1040858707 /nfs/dbraw/zinc/85/87/07/1040858707.db2.gz DWWYPLDDKMUAQQ-DHLKQENFSA-N 1 3 393.575 3.992 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311477 838169964 /nfs/dbraw/zinc/16/99/64/838169964.db2.gz UGQALLQGMDOSHE-HXUWFJFHSA-N 1 3 380.580 3.741 20 10 GHCDHO C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768162612 873124202 /nfs/dbraw/zinc/12/42/02/873124202.db2.gz RZCACEPSAXWDLK-QFIPXVFZSA-N 1 3 384.520 3.514 20 10 GHCDHO C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768162612 873124205 /nfs/dbraw/zinc/12/42/05/873124205.db2.gz RZCACEPSAXWDLK-QFIPXVFZSA-N 1 3 384.520 3.514 20 10 GHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000808687165 886643719 /nfs/dbraw/zinc/64/37/19/886643719.db2.gz KGHLDRUSMLJVIJ-KRWDZBQOSA-N 1 3 388.943 3.612 20 10 GHCDHO CN1CC[NH+](CC2CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)CC1 ZINC000289504704 914214585 /nfs/dbraw/zinc/21/45/85/914214585.db2.gz UBXIIUPXEZRYDO-UHFFFAOYSA-N 1 3 379.548 3.519 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339003 909497530 /nfs/dbraw/zinc/49/75/30/909497530.db2.gz QEBAQTRJNARJAC-NFBKMPQASA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339003 909497537 /nfs/dbraw/zinc/49/75/37/909497537.db2.gz QEBAQTRJNARJAC-NFBKMPQASA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339003 909497550 /nfs/dbraw/zinc/49/75/50/909497550.db2.gz QEBAQTRJNARJAC-NFBKMPQASA-N 1 3 393.575 3.505 20 10 GHCDHO COc1cc(O)c(CNCc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC001181457953 910774438 /nfs/dbraw/zinc/77/44/38/910774438.db2.gz RTBQAMDNTHEGRW-UHFFFAOYSA-N 1 3 384.520 3.931 20 10 GHCDHO C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753543362 929400577 /nfs/dbraw/zinc/40/05/77/929400577.db2.gz OUDSYPBXPGBTDX-UHFFFAOYSA-N 1 3 384.520 3.514 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306202 1021362290 /nfs/dbraw/zinc/36/22/90/1021362290.db2.gz OZAMCWXXEMSAQS-OAQYLSRUSA-N 1 3 387.568 3.525 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306202 1021362309 /nfs/dbraw/zinc/36/23/09/1021362309.db2.gz OZAMCWXXEMSAQS-OAQYLSRUSA-N 1 3 387.568 3.525 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3ccc(C4([NH3+])CCC4)cc3)CC2)cc1 ZINC001164334374 1026489605 /nfs/dbraw/zinc/48/96/05/1026489605.db2.gz QFNCWPBJURRFGK-UHFFFAOYSA-N 1 3 394.563 3.657 20 10 GHCDHO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cc3c(cc2O)OCCNC3)CC1 ZINC001235606934 1041022982 /nfs/dbraw/zinc/02/29/82/1041022982.db2.gz JNRLMPKRSCAJLQ-UHFFFAOYSA-N 1 3 378.516 3.663 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001308202328 1049911364 /nfs/dbraw/zinc/91/13/64/1049911364.db2.gz BUNFPAPEEOWLEV-UHFFFAOYSA-N 1 3 392.591 3.714 20 10 GHCDHO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCN3Cc3ccccc3)cc2)CC1 ZINC001308492564 1049989142 /nfs/dbraw/zinc/98/91/42/1049989142.db2.gz MJDUHYZMQKYDOV-VWLOTQADSA-N 1 3 392.591 3.583 20 10 GHCDHO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378864 /nfs/dbraw/zinc/37/88/64/1074378864.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378874 /nfs/dbraw/zinc/37/88/74/1074378874.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379146 /nfs/dbraw/zinc/37/91/46/1074379146.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379151 /nfs/dbraw/zinc/37/91/51/1074379151.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 1 3 384.520 3.894 20 10 GHCDHO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580385 /nfs/dbraw/zinc/58/03/85/881580385.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 1 3 396.579 3.950 20 10 GHCDHO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580395 /nfs/dbraw/zinc/58/03/95/881580395.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 1 3 396.579 3.950 20 10 GHCDHO CN1CCN(c2ccc(C[N@H+](C)C3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000775680877 872812825 /nfs/dbraw/zinc/81/28/25/872812825.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO CN1CCN(c2ccc(C[N@@H+](C)C3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000775680877 872812828 /nfs/dbraw/zinc/81/28/28/872812828.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1O ZINC000816643436 894987274 /nfs/dbraw/zinc/98/72/74/894987274.db2.gz FRPSTMXOUPTEKF-QFIPXVFZSA-N 1 3 380.532 3.719 20 10 GHCDHO CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909389 901568420 /nfs/dbraw/zinc/56/84/20/901568420.db2.gz BCWQBWLRFYROOQ-ATZDWAIDSA-N 1 3 385.474 3.632 20 10 GHCDHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000758253320 929989528 /nfs/dbraw/zinc/98/95/28/929989528.db2.gz MVOJVNREXRBMQF-UHFFFAOYSA-N 1 3 387.612 3.848 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924761061 931527596 /nfs/dbraw/zinc/52/75/96/931527596.db2.gz SZUSDPUQLBZDDJ-QGZVFWFLSA-N 1 3 385.527 3.699 20 10 GHCDHO C[C@@]1(CNCc2ccc(N3CCOCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497868 932672465 /nfs/dbraw/zinc/67/24/65/932672465.db2.gz GNEPKHDTLCINRS-DEOSSOPVSA-N 1 3 379.548 3.525 20 10 GHCDHO C[C@@]1(CNCc2ccc(N3CCOCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497868 932672470 /nfs/dbraw/zinc/67/24/70/932672470.db2.gz GNEPKHDTLCINRS-DEOSSOPVSA-N 1 3 379.548 3.525 20 10 GHCDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001461056607 1069365511 /nfs/dbraw/zinc/36/55/11/1069365511.db2.gz JHINVUHIWPFNCL-UHFFFAOYSA-N 1 3 398.570 3.709 20 10 GHCDHO CN(C)c1ccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)c(O)c1 ZINC001232838828 1038589950 /nfs/dbraw/zinc/58/99/50/1038589950.db2.gz MMDGICGSECMAGS-QFIPXVFZSA-N 1 3 383.536 3.928 20 10 GHCDHO Clc1ccccc1OC1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235676145 1041134020 /nfs/dbraw/zinc/13/40/20/1041134020.db2.gz XVOPVEFGSNNIFC-UHFFFAOYSA-N 1 3 385.939 3.793 20 10 GHCDHO CC(C)N1CCN(c2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)CC1 ZINC000847635898 1065805291 /nfs/dbraw/zinc/80/52/91/1065805291.db2.gz IZBUBVZZPIWHDO-UHFFFAOYSA-N 1 3 394.563 3.573 20 10 GHCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000792936152 881827078 /nfs/dbraw/zinc/82/70/78/881827078.db2.gz MNOFXMNQZHWJGR-HZPDHXFCSA-N 1 3 387.490 3.750 20 10 GHCDHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100711 882847562 /nfs/dbraw/zinc/84/75/62/882847562.db2.gz XCAHYLCWNXIRAC-INIZCTEOSA-N 1 3 385.474 3.504 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357776 876848465 /nfs/dbraw/zinc/84/84/65/876848465.db2.gz VEZLUCQFQAIDLR-XMMPIXPASA-N 1 3 388.511 3.916 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357776 876848470 /nfs/dbraw/zinc/84/84/70/876848470.db2.gz VEZLUCQFQAIDLR-XMMPIXPASA-N 1 3 388.511 3.916 20 10 GHCDHO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149729 893523337 /nfs/dbraw/zinc/52/33/37/893523337.db2.gz XRAXMLDTXVYSPL-QFIPXVFZSA-N 1 3 380.532 3.719 20 10 GHCDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942369 895970672 /nfs/dbraw/zinc/97/06/72/895970672.db2.gz OLKILWFLDYWTGU-WMZOPIPTSA-N 1 3 388.537 3.821 20 10 GHCDHO c1ccc([C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)nc1 ZINC000903132359 922798346 /nfs/dbraw/zinc/79/83/46/922798346.db2.gz YPIZNYSKPOZVAC-XMMPIXPASA-N 1 3 376.548 3.855 20 10 GHCDHO COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)cc2[O-])CC3)c1 ZINC001204274629 1032717552 /nfs/dbraw/zinc/71/75/52/1032717552.db2.gz RGNBOUZYELLKRM-UHFFFAOYSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)cc2[O-])CC3)c1 ZINC001204274629 1032717564 /nfs/dbraw/zinc/71/75/64/1032717564.db2.gz RGNBOUZYELLKRM-UHFFFAOYSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cc([O-])c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(OC)c1 ZINC001141028367 1023275520 /nfs/dbraw/zinc/27/55/20/1023275520.db2.gz MBGOVKOQTGWMPY-UHFFFAOYSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc([O-])c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(OC)c1 ZINC001141028367 1023275527 /nfs/dbraw/zinc/27/55/27/1023275527.db2.gz MBGOVKOQTGWMPY-UHFFFAOYSA-N 1 3 396.531 3.898 20 10 GHCDHO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)C1 ZINC000841103778 1028140081 /nfs/dbraw/zinc/14/00/81/1028140081.db2.gz JRRFHWLHABSPEO-XUZZJYLKSA-N 1 3 396.531 3.690 20 10 GHCDHO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C)c1 ZINC001219204248 1031304859 /nfs/dbraw/zinc/30/48/59/1031304859.db2.gz WHYFKWOKMRILGZ-RTKLVRIJSA-N 1 3 377.492 3.856 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(c4ccc(N)cc4)CC3)cc2)CC1 ZINC001236334230 1041675737 /nfs/dbraw/zinc/67/57/37/1041675737.db2.gz CJVFCXSLAQLVNR-UHFFFAOYSA-N 1 3 378.564 3.790 20 10 GHCDHO Clc1cc(N2CCOCC2)ccc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962268 1041971198 /nfs/dbraw/zinc/97/11/98/1041971198.db2.gz MELVIBZYMUTPJD-UHFFFAOYSA-N 1 3 391.987 3.778 20 10 GHCDHO Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001279196881 1047740607 /nfs/dbraw/zinc/74/06/07/1047740607.db2.gz DHGLIGJJKJCVLB-UHFFFAOYSA-N 1 3 375.513 3.784 20 10 GHCDHO Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001279196881 1047740612 /nfs/dbraw/zinc/74/06/12/1047740612.db2.gz DHGLIGJJKJCVLB-UHFFFAOYSA-N 1 3 375.513 3.784 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001331383030 1051265287 /nfs/dbraw/zinc/26/52/87/1051265287.db2.gz ZUDHBLRPBIVKSC-UYAOXDASSA-N 1 3 380.532 3.866 20 10 GHCDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473932815 1074209030 /nfs/dbraw/zinc/20/90/30/1074209030.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 1 3 398.570 3.708 20 10 GHCDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473932815 1074209037 /nfs/dbraw/zinc/20/90/37/1074209037.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 1 3 398.570 3.708 20 10 GHCDHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(N(C)C)c(F)c2)CC1 ZINC000236802507 843687078 /nfs/dbraw/zinc/68/70/78/843687078.db2.gz JAMSUBAIUJLHMW-UHFFFAOYSA-N 1 3 384.543 3.714 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133800 /nfs/dbraw/zinc/13/38/00/879133800.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 1 3 378.516 3.935 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133815 /nfs/dbraw/zinc/13/38/15/879133815.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 1 3 378.516 3.935 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@@H]4C[C@@H]4C3)c2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133823 /nfs/dbraw/zinc/13/38/23/879133823.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 1 3 378.516 3.935 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@@H]4C[C@@H]4C3)c2c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133830 /nfs/dbraw/zinc/13/38/30/879133830.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 1 3 378.516 3.935 20 10 GHCDHO C[NH+](C)Cc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000914795859 884805219 /nfs/dbraw/zinc/80/52/19/884805219.db2.gz GPALBYYAQUKQDM-UHFFFAOYSA-N 1 3 382.508 3.937 20 10 GHCDHO C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3[O-])C2)CC1 ZINC000815579398 894018689 /nfs/dbraw/zinc/01/86/89/894018689.db2.gz MIQGMRPYOZKXDM-URXFXBBRSA-N 1 3 393.575 3.824 20 10 GHCDHO CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817983980 895993699 /nfs/dbraw/zinc/99/36/99/895993699.db2.gz SYQSBIRRIWDZNT-HTWSVDAQSA-N 1 3 385.474 3.668 20 10 GHCDHO COc1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1OC ZINC000092856034 911868557 /nfs/dbraw/zinc/86/85/57/911868557.db2.gz RETLUSPWJIHMTP-UHFFFAOYSA-N 1 3 395.547 3.526 20 10 GHCDHO [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1)C1CCSCC1)C[NH2+]CCO2 ZINC001236269688 1032593628 /nfs/dbraw/zinc/59/36/28/1032593628.db2.gz MUUNTOHBODWZSL-UHFFFAOYSA-N 1 3 384.545 3.772 20 10 GHCDHO [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1)C1CCSCC1)C[NH2+]CCO2 ZINC001236269688 1032593633 /nfs/dbraw/zinc/59/36/33/1032593633.db2.gz MUUNTOHBODWZSL-UHFFFAOYSA-N 1 3 384.545 3.772 20 10 GHCDHO Cc1cc([O-])c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1Br ZINC001206760973 1033974080 /nfs/dbraw/zinc/97/40/80/1033974080.db2.gz QMJSPPZLBVVASU-UHFFFAOYSA-N 1 3 389.337 3.956 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039382059 /nfs/dbraw/zinc/38/20/59/1039382059.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 1 3 388.533 3.597 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039382074 /nfs/dbraw/zinc/38/20/74/1039382074.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 1 3 388.533 3.597 20 10 GHCDHO COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])cc1Br ZINC001236753496 1041872788 /nfs/dbraw/zinc/87/27/88/1041872788.db2.gz OHXBELZMRJHABB-UHFFFAOYSA-N 1 3 385.346 3.716 20 10 GHCDHO COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])cc1Br ZINC001236753496 1041872798 /nfs/dbraw/zinc/87/27/98/1041872798.db2.gz OHXBELZMRJHABB-UHFFFAOYSA-N 1 3 385.346 3.716 20 10 GHCDHO COc1cc(Br)cc(CN2CCC(CC3CC[NH2+]CC3)CC2)c1O ZINC001236947802 1041967517 /nfs/dbraw/zinc/96/75/17/1041967517.db2.gz MCSPZUDNYHWEMI-UHFFFAOYSA-N 1 3 397.357 3.765 20 10 GHCDHO COc1ccc(Br)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1[O-] ZINC001236961200 1041970713 /nfs/dbraw/zinc/97/07/13/1041970713.db2.gz DFJYNGVTRVNRNU-UHFFFAOYSA-N 1 3 397.357 3.765 20 10 GHCDHO CCN(CC)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC001308438389 1049976504 /nfs/dbraw/zinc/97/65/04/1049976504.db2.gz ALJCNWBLCUMJFC-UHFFFAOYSA-N 1 3 399.554 3.789 20 10 GHCDHO CC(C)c1nc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn21 ZINC001308544947 1050004801 /nfs/dbraw/zinc/00/48/01/1050004801.db2.gz WWYUKYCXNMMHNC-QFIPXVFZSA-N 1 3 379.552 3.916 20 10 GHCDHO COc1ccc(CNCc2ccccc2C[NH+]2CCC(C)CC2)c(O)c1OC ZINC000893327379 841308780 /nfs/dbraw/zinc/30/87/80/841308780.db2.gz HWNHSKHNECPGQF-UHFFFAOYSA-N 1 3 384.520 3.931 20 10 GHCDHO COc1ccc2ccc([O-])c(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000771176759 875091578 /nfs/dbraw/zinc/09/15/78/875091578.db2.gz VQYVMQUARPHIDJ-UHFFFAOYSA-N 1 3 397.563 3.544 20 10 GHCDHO CCCN(CCC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000809740796 887776660 /nfs/dbraw/zinc/77/66/60/887776660.db2.gz IVBHEJUSCDQSDM-XMMPIXPASA-N 1 3 386.628 3.913 20 10 GHCDHO CCCN(CCC)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000809740796 887776667 /nfs/dbraw/zinc/77/66/67/887776667.db2.gz IVBHEJUSCDQSDM-XMMPIXPASA-N 1 3 386.628 3.913 20 10 GHCDHO [NH3+]C1CCC(N(c2cc3c(cc2[N+](=O)[O-])CNC3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170645340 890034715 /nfs/dbraw/zinc/03/47/15/890034715.db2.gz CWQHLZIFCHBOIC-NSKBAKJYSA-N 1 3 392.503 3.830 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321364 1041670224 /nfs/dbraw/zinc/67/02/24/1041670224.db2.gz ISICQINMNHEFNX-GASCZTMLSA-N 1 3 375.310 3.739 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321364 1041670230 /nfs/dbraw/zinc/67/02/30/1041670230.db2.gz ISICQINMNHEFNX-GASCZTMLSA-N 1 3 375.310 3.739 20 10 GHCDHO CCCN1CCN(c2ccccc2C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000236802553 843687143 /nfs/dbraw/zinc/68/71/43/843687143.db2.gz BAGYDHIJYXONMT-UHFFFAOYSA-N 1 3 380.580 3.883 20 10 GHCDHO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)CC2)cc1 ZINC000165313105 854840218 /nfs/dbraw/zinc/84/02/18/854840218.db2.gz NYUQKBQUYRSWKS-JOCHJYFZSA-N 1 3 393.575 3.818 20 10 GHCDHO CN1CCOc2cc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580853 /nfs/dbraw/zinc/58/08/53/1023580853.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 1 3 377.532 3.613 20 10 GHCDHO CN1CCOc2cc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580858 /nfs/dbraw/zinc/58/08/58/1023580858.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 1 3 377.532 3.613 20 10 GHCDHO Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001231593670 1034749337 /nfs/dbraw/zinc/74/93/37/1034749337.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001231593670 1034749350 /nfs/dbraw/zinc/74/93/50/1034749350.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559205 881438909 /nfs/dbraw/zinc/43/89/09/881438909.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 1 3 396.579 3.950 20 10 GHCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559205 881438915 /nfs/dbraw/zinc/43/89/15/881438915.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 1 3 396.579 3.950 20 10 GHCDHO CN1CCN(c2ccc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679188 872810539 /nfs/dbraw/zinc/81/05/39/872810539.db2.gz PYSZGCDZQZUTJG-QHCPKHFHSA-N 1 3 384.612 3.526 20 10 GHCDHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898452 895952678 /nfs/dbraw/zinc/95/26/78/895952678.db2.gz GFNFDIZBPZZECW-RDJZCZTQSA-N 1 3 390.478 3.770 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287494 927035941 /nfs/dbraw/zinc/03/59/41/927035941.db2.gz OHRXMODTVYVHAY-GBXCKJPGSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000749287494 927035950 /nfs/dbraw/zinc/03/59/50/927035950.db2.gz OHRXMODTVYVHAY-GBXCKJPGSA-N 1 3 379.548 3.523 20 10 GHCDHO c1cc(CN2CCC3(C2)CC[NH+](Cc2ccc(N4CCOCC4)cc2)CC3)co1 ZINC001138495514 1024928732 /nfs/dbraw/zinc/92/87/32/1024928732.db2.gz CYTQAAOMGBAZJK-UHFFFAOYSA-N 1 3 395.547 3.604 20 10 GHCDHO COc1cc(CN2CCC(OC)(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139259203 1026110665 /nfs/dbraw/zinc/11/06/65/1026110665.db2.gz MRRXOAQEVGAKMD-UHFFFAOYSA-N 1 3 384.520 3.600 20 10 GHCDHO CCN(CC)c1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1F ZINC001461151049 1069414962 /nfs/dbraw/zinc/41/49/62/1069414962.db2.gz RCCPGWLAHCZPDO-UHFFFAOYSA-N 1 3 398.570 3.709 20 10 GHCDHO COc1ccc(N2CC[NH+](C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208927669 1035092665 /nfs/dbraw/zinc/09/26/65/1035092665.db2.gz BRLRYSKRKYORMH-QFIPXVFZSA-N 1 3 379.548 3.729 20 10 GHCDHO COc1cc(Br)cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1O ZINC001235232256 1040713153 /nfs/dbraw/zinc/71/31/53/1040713153.db2.gz WYQCKNQYNNNQES-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)c(O)c1 ZINC001235366651 1040860289 /nfs/dbraw/zinc/86/02/89/1040860289.db2.gz DWWYPLDDKMUAQQ-RDGATRHJSA-N 1 3 393.575 3.992 20 10 GHCDHO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)c(O)c1 ZINC001235366651 1040860304 /nfs/dbraw/zinc/86/03/04/1040860304.db2.gz DWWYPLDDKMUAQQ-RDGATRHJSA-N 1 3 393.575 3.992 20 10 GHCDHO Clc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)ccc1N1CCOCC1 ZINC001236961434 1041970724 /nfs/dbraw/zinc/97/07/24/1041970724.db2.gz HBSRIWCVJYACMB-UHFFFAOYSA-N 1 3 391.987 3.778 20 10 GHCDHO CCN(CC)c1ccc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237289131 1042126472 /nfs/dbraw/zinc/12/64/72/1042126472.db2.gz MIYYUHMNYDYYPD-UHFFFAOYSA-N 1 3 379.548 3.875 20 10 GHCDHO CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856557800 881406598 /nfs/dbraw/zinc/40/65/98/881406598.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 1 3 383.536 3.843 20 10 GHCDHO CCc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856557800 881406718 /nfs/dbraw/zinc/40/67/18/881406718.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 1 3 383.536 3.843 20 10 GHCDHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664746 872488889 /nfs/dbraw/zinc/48/88/89/872488889.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 1 3 384.612 3.525 20 10 GHCDHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664746 872488896 /nfs/dbraw/zinc/48/88/96/872488896.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 1 3 384.612 3.525 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566381 877033502 /nfs/dbraw/zinc/03/35/02/877033502.db2.gz NAXMBOBLOKCZIK-CJFMBICVSA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566381 877033516 /nfs/dbraw/zinc/03/35/16/877033516.db2.gz NAXMBOBLOKCZIK-CJFMBICVSA-N 1 3 393.575 3.648 20 10 GHCDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876901960 893380078 /nfs/dbraw/zinc/38/00/78/893380078.db2.gz JCFXMHASDKYFLW-UHFFFAOYSA-N 1 3 381.564 3.779 20 10 GHCDHO CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCN(CC)CC4)cc3)C2)n1 ZINC001140305506 1021359458 /nfs/dbraw/zinc/35/94/58/1021359458.db2.gz ACVZAIHAYNYRGE-FQEVSTJZSA-N 1 3 397.567 3.544 20 10 GHCDHO CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(N4CCN(CC)CC4)cc3)C2)n1 ZINC001140305506 1021359474 /nfs/dbraw/zinc/35/94/74/1021359474.db2.gz ACVZAIHAYNYRGE-FQEVSTJZSA-N 1 3 397.567 3.544 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309591 1021370637 /nfs/dbraw/zinc/37/06/37/1021370637.db2.gz MYCPVUZQZRNEMQ-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309591 1021370653 /nfs/dbraw/zinc/37/06/53/1021370653.db2.gz MYCPVUZQZRNEMQ-HSZRJFAPSA-N 1 3 394.563 3.575 20 10 GHCDHO COc1cc(CN2CCC[C@@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257112 1026106170 /nfs/dbraw/zinc/10/61/70/1026106170.db2.gz RRWTUDKXJGVAQZ-HXUWFJFHSA-N 1 3 384.520 3.814 20 10 GHCDHO COc1cccc([C@@H]2CCCN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261101 1026112104 /nfs/dbraw/zinc/11/21/04/1026112104.db2.gz UPDFKAYSJNGGQB-LJQANCHMSA-N 1 3 384.520 3.851 20 10 GHCDHO CN1CCN(c2ccc(CNC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153914 1069415893 /nfs/dbraw/zinc/41/58/93/1069415893.db2.gz SXRWSIABAWXUKE-DEOSSOPVSA-N 1 3 384.612 3.573 20 10 GHCDHO CN1CCN(c2ccc(CNC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153914 1069415898 /nfs/dbraw/zinc/41/58/98/1069415898.db2.gz SXRWSIABAWXUKE-DEOSSOPVSA-N 1 3 384.612 3.573 20 10 GHCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CN(Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491404 1027379498 /nfs/dbraw/zinc/37/94/98/1027379498.db2.gz KEIWAGGVBXZYSD-HSZRJFAPSA-N 1 3 392.591 3.581 20 10 GHCDHO COc1cc(Br)cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000841086392 1028110393 /nfs/dbraw/zinc/11/03/93/1028110393.db2.gz HWPQFKASZNARIB-INIZCTEOSA-N 1 3 379.298 3.733 20 10 GHCDHO CCN1CCN(c2ccc(-c3nc4ccccc4n3C3CC[NH2+]CC3)cc2)CC1 ZINC001247021924 1037842679 /nfs/dbraw/zinc/84/26/79/1037842679.db2.gz HZWYQTNXHCLYDW-UHFFFAOYSA-N 1 3 389.547 3.770 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311357 838169867 /nfs/dbraw/zinc/16/98/67/838169867.db2.gz UGQALLQGMDOSHE-FQEVSTJZSA-N 1 3 380.580 3.741 20 10 GHCDHO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856560428 881440264 /nfs/dbraw/zinc/44/02/64/881440264.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 1 3 399.535 3.679 20 10 GHCDHO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1O ZINC000856560428 881440267 /nfs/dbraw/zinc/44/02/67/881440267.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 1 3 399.535 3.679 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357775 876848655 /nfs/dbraw/zinc/84/86/55/876848655.db2.gz VEZLUCQFQAIDLR-DEOSSOPVSA-N 1 3 388.511 3.916 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357775 876848661 /nfs/dbraw/zinc/84/86/61/876848661.db2.gz VEZLUCQFQAIDLR-DEOSSOPVSA-N 1 3 388.511 3.916 20 10 GHCDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877145330 893507784 /nfs/dbraw/zinc/50/77/84/893507784.db2.gz FTXSMKXBWCDMOG-UHFFFAOYSA-N 1 3 381.564 3.778 20 10 GHCDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877145330 893507808 /nfs/dbraw/zinc/50/78/08/893507808.db2.gz FTXSMKXBWCDMOG-UHFFFAOYSA-N 1 3 381.564 3.778 20 10 GHCDHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126702294 893799976 /nfs/dbraw/zinc/79/99/76/893799976.db2.gz IILXYEAUPQMWBE-XMMPIXPASA-N 1 3 380.580 3.741 20 10 GHCDHO C[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000817984769 895992662 /nfs/dbraw/zinc/99/26/62/895992662.db2.gz ZMRUMZHMGGEPGE-QFBILLFUSA-N 1 3 383.511 3.663 20 10 GHCDHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000845972091 902554242 /nfs/dbraw/zinc/55/42/42/902554242.db2.gz IIGUPHOFBSOLER-SFHVURJKSA-N 1 3 383.536 3.784 20 10 GHCDHO C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924761060 931527368 /nfs/dbraw/zinc/52/73/68/931527368.db2.gz SZUSDPUQLBZDDJ-KRWDZBQOSA-N 1 3 385.527 3.699 20 10 GHCDHO C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926558318 1017283007 /nfs/dbraw/zinc/28/30/07/1017283007.db2.gz DFWVTQMTXVPREK-MRXNPFEDSA-N 1 3 389.490 3.714 20 10 GHCDHO [O-]c1cc(O)ccc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001204278081 1032719361 /nfs/dbraw/zinc/71/93/61/1032719361.db2.gz SKBSKZCAKVCFBW-UHFFFAOYSA-N 1 3 396.531 3.743 20 10 GHCDHO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621637 1022094034 /nfs/dbraw/zinc/09/40/34/1022094034.db2.gz NOWSPYCQTXTHIV-JOCHJYFZSA-N 1 3 380.532 3.956 20 10 GHCDHO CN(C)c1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001140921937 1022888307 /nfs/dbraw/zinc/88/83/07/1022888307.db2.gz WRNHOLNZTJZLHW-UHFFFAOYSA-N 1 3 379.976 3.730 20 10 GHCDHO COc1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)cc(C[NH+](C)C)c1O ZINC001139255831 1026106511 /nfs/dbraw/zinc/10/65/11/1026106511.db2.gz FNNIGSHCFXTRKC-UHFFFAOYSA-N 1 3 388.552 3.634 20 10 GHCDHO C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000840883988 1027920777 /nfs/dbraw/zinc/92/07/77/1027920777.db2.gz IHDRPFCOVZQOIL-QFBILLFUSA-N 1 3 384.495 3.696 20 10 GHCDHO CCCN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089920 1041527004 /nfs/dbraw/zinc/52/70/04/1041527004.db2.gz ZHSWGXNVLANOTE-FQEVSTJZSA-N 1 3 394.563 3.644 20 10 GHCDHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926720 1041961549 /nfs/dbraw/zinc/96/15/49/1041961549.db2.gz JQWPZVYKTZHHOF-UHFFFAOYSA-N 1 3 379.976 3.729 20 10 GHCDHO COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(O)c(OC)c1 ZINC001237682315 1042322880 /nfs/dbraw/zinc/32/28/80/1042322880.db2.gz XZNVPZVGYALUKU-BJJLKGPWSA-N 1 3 398.547 3.804 20 10 GHCDHO COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(O)c(OC)c1 ZINC001237682315 1042322888 /nfs/dbraw/zinc/32/28/88/1042322888.db2.gz XZNVPZVGYALUKU-BJJLKGPWSA-N 1 3 398.547 3.804 20 10 GHCDHO C[C@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC001308301998 1049943412 /nfs/dbraw/zinc/94/34/12/1049943412.db2.gz OWYHHLINSVIEIE-HXUWFJFHSA-N 1 3 398.570 3.578 20 10 GHCDHO C[C@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001308301998 1049943414 /nfs/dbraw/zinc/94/34/14/1049943414.db2.gz OWYHHLINSVIEIE-HXUWFJFHSA-N 1 3 398.570 3.578 20 10 GHCDHO C[C@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N(C)Cc1ccccc1 ZINC001308301998 1049943415 /nfs/dbraw/zinc/94/34/15/1049943415.db2.gz OWYHHLINSVIEIE-HXUWFJFHSA-N 1 3 398.570 3.578 20 10 GHCDHO CC(C)c1nc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn21 ZINC001308544946 1050004573 /nfs/dbraw/zinc/00/45/73/1050004573.db2.gz WWYUKYCXNMMHNC-JOCHJYFZSA-N 1 3 379.552 3.916 20 10 GHCDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559858 893998340 /nfs/dbraw/zinc/99/83/40/893998340.db2.gz RMBHEAHMUCDPBO-REWPJTCUSA-N 1 3 381.564 3.682 20 10 GHCDHO CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817983981 895994065 /nfs/dbraw/zinc/99/40/65/895994065.db2.gz SYQSBIRRIWDZNT-LEOMRAHMSA-N 1 3 385.474 3.668 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(OC)(c4ccccc4)CC3)cc2)CC1 ZINC001140306428 1021363613 /nfs/dbraw/zinc/36/36/13/1021363613.db2.gz RRKBMORCEOBWSP-UHFFFAOYSA-N 1 3 393.575 3.966 20 10 GHCDHO COc1cc([O-])c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301381 /nfs/dbraw/zinc/30/13/81/1023301381.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301388 /nfs/dbraw/zinc/30/13/88/1023301388.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301395 /nfs/dbraw/zinc/30/13/95/1023301395.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301401 /nfs/dbraw/zinc/30/14/01/1023301401.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 1 3 396.531 3.753 20 10 GHCDHO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099679 1028134450 /nfs/dbraw/zinc/13/44/50/1028134450.db2.gz NJWBJMGUTUKCGP-LJQANCHMSA-N 1 3 399.583 3.875 20 10 GHCDHO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099679 1028134469 /nfs/dbraw/zinc/13/44/69/1028134469.db2.gz NJWBJMGUTUKCGP-LJQANCHMSA-N 1 3 399.583 3.875 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)C1 ZINC000841103774 1028140760 /nfs/dbraw/zinc/14/07/60/1028140760.db2.gz JRRFHWLHABSPEO-QPPBQGQZSA-N 1 3 396.531 3.690 20 10 GHCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848528637 1057151584 /nfs/dbraw/zinc/15/15/84/1057151584.db2.gz HJJVQVSUGOSLCO-ZDUSSCGKSA-N 1 3 385.346 3.936 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001337785721 1058263005 /nfs/dbraw/zinc/26/30/05/1058263005.db2.gz QSLSVQAJFKVORK-NQIIRXRSSA-N 1 3 379.548 3.786 20 10 GHCDHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000764897151 859665261 /nfs/dbraw/zinc/66/52/61/859665261.db2.gz GAFZBPANCUAPFL-NRFANRHFSA-N 1 3 393.575 3.881 20 10 GHCDHO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1[O-] ZINC000738089127 865483954 /nfs/dbraw/zinc/48/39/54/865483954.db2.gz JYHSYICQUAVPKL-UHFFFAOYSA-N 1 3 384.520 3.884 20 10 GHCDHO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1[O-] ZINC000738089127 865483959 /nfs/dbraw/zinc/48/39/59/865483959.db2.gz JYHSYICQUAVPKL-UHFFFAOYSA-N 1 3 384.520 3.884 20 10 GHCDHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664744 872488676 /nfs/dbraw/zinc/48/86/76/872488676.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 1 3 384.612 3.525 20 10 GHCDHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664744 872488689 /nfs/dbraw/zinc/48/86/89/872488689.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 1 3 384.612 3.525 20 10 GHCDHO CCN(CC)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000850357249 876846978 /nfs/dbraw/zinc/84/69/78/876846978.db2.gz CKGABAFLBGXACP-NRFANRHFSA-N 1 3 385.527 3.528 20 10 GHCDHO CCN(CC)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000850357249 876846986 /nfs/dbraw/zinc/84/69/86/876846986.db2.gz CKGABAFLBGXACP-NRFANRHFSA-N 1 3 385.527 3.528 20 10 GHCDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005496 891220412 /nfs/dbraw/zinc/22/04/12/891220412.db2.gz XGNLJXHMGWYSKT-GOSISDBHSA-N 1 3 385.527 3.965 20 10 GHCDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005496 891220430 /nfs/dbraw/zinc/22/04/30/891220430.db2.gz XGNLJXHMGWYSKT-GOSISDBHSA-N 1 3 385.527 3.965 20 10 GHCDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900799 895954317 /nfs/dbraw/zinc/95/43/17/895954317.db2.gz SAIQPLMDNYOWHG-MDKPJZGXSA-N 1 3 389.490 3.805 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778643623 897841845 /nfs/dbraw/zinc/84/18/45/897841845.db2.gz UUFBAFTWMAFLOK-NZQKXSOJSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643623 897841850 /nfs/dbraw/zinc/84/18/50/897841850.db2.gz UUFBAFTWMAFLOK-NZQKXSOJSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643623 897841860 /nfs/dbraw/zinc/84/18/60/897841860.db2.gz UUFBAFTWMAFLOK-NZQKXSOJSA-N 1 3 379.548 3.523 20 10 GHCDHO CN(C)c1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000133457692 898437805 /nfs/dbraw/zinc/43/78/05/898437805.db2.gz DKGKJPIUTIZTQY-UHFFFAOYSA-N 1 3 384.543 3.712 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912065 901520915 /nfs/dbraw/zinc/52/09/15/901520915.db2.gz REVSVIUDZRAGFQ-SFLYRZDNSA-N 1 3 396.531 3.832 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912065 901520920 /nfs/dbraw/zinc/52/09/20/901520920.db2.gz REVSVIUDZRAGFQ-SFLYRZDNSA-N 1 3 396.531 3.832 20 10 GHCDHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773146964 904486536 /nfs/dbraw/zinc/48/65/36/904486536.db2.gz SEQYSYXRGDJBIX-SFHVURJKSA-N 1 3 394.519 3.978 20 10 GHCDHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584687 933648065 /nfs/dbraw/zinc/64/80/65/933648065.db2.gz JMCUECMVFTVKMY-LJQANCHMSA-N 1 3 393.575 3.869 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435181 1023646702 /nfs/dbraw/zinc/64/67/02/1023646702.db2.gz XPLAQHYCBZDHSG-HXUWFJFHSA-N 1 3 381.564 3.997 20 10 GHCDHO COc1cc(C[N@H+](Cc2ccccc2)C2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139257363 1026107872 /nfs/dbraw/zinc/10/78/72/1026107872.db2.gz AMOXFKSAMOTRFQ-UHFFFAOYSA-N 1 3 384.520 3.644 20 10 GHCDHO COc1cc(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139257363 1026107875 /nfs/dbraw/zinc/10/78/75/1026107875.db2.gz AMOXFKSAMOTRFQ-UHFFFAOYSA-N 1 3 384.520 3.644 20 10 GHCDHO CN1CCN(c2ccc(CN3CCC([N@H+](C)Cc4ccccc4)CC3)cc2)CC1 ZINC001139409787 1026282409 /nfs/dbraw/zinc/28/24/09/1026282409.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO CN1CCN(c2ccc(CN3CCC([N@@H+](C)Cc4ccccc4)CC3)cc2)CC1 ZINC001139409787 1026282412 /nfs/dbraw/zinc/28/24/12/1026282412.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO COc1cccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222573549 1030203508 /nfs/dbraw/zinc/20/35/08/1030203508.db2.gz ATMFFEHEJBWTIH-NRFANRHFSA-N 1 3 396.531 3.704 20 10 GHCDHO COc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222573549 1030203526 /nfs/dbraw/zinc/20/35/26/1030203526.db2.gz ATMFFEHEJBWTIH-NRFANRHFSA-N 1 3 396.531 3.704 20 10 GHCDHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232839648 1038590930 /nfs/dbraw/zinc/59/09/30/1038590930.db2.gz UNTGHEKJNJQOQR-UHFFFAOYSA-N 1 3 398.551 3.694 20 10 GHCDHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232839648 1038590935 /nfs/dbraw/zinc/59/09/35/1038590935.db2.gz UNTGHEKJNJQOQR-UHFFFAOYSA-N 1 3 398.551 3.694 20 10 GHCDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660048 1040195725 /nfs/dbraw/zinc/19/57/25/1040195725.db2.gz CIBPUVCEINYURN-REWPJTCUSA-N 1 3 394.563 3.828 20 10 GHCDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660048 1040195733 /nfs/dbraw/zinc/19/57/33/1040195733.db2.gz CIBPUVCEINYURN-REWPJTCUSA-N 1 3 394.563 3.828 20 10 GHCDHO [O-]c1c(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)cccc1OC(F)(F)F ZINC001235092603 1040583161 /nfs/dbraw/zinc/58/31/61/1040583161.db2.gz WZNDPEFNRZHYDP-UHFFFAOYSA-N 1 3 392.421 3.928 20 10 GHCDHO COC(=O)c1c(CN2CCC(CC3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001236962071 1041970574 /nfs/dbraw/zinc/97/05/74/1041970574.db2.gz UEDZOUSAACIIAR-UHFFFAOYSA-N 1 3 383.536 3.567 20 10 GHCDHO COc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320678 /nfs/dbraw/zinc/32/06/78/1042320678.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320681 /nfs/dbraw/zinc/32/06/81/1042320681.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001474184830 1074286287 /nfs/dbraw/zinc/28/62/87/1074286287.db2.gz IUBIAFBATBEFJR-WPLNEBIZSA-N 1 3 393.575 3.893 20 10 GHCDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001474184830 1074286291 /nfs/dbraw/zinc/28/62/91/1074286291.db2.gz IUBIAFBATBEFJR-WPLNEBIZSA-N 1 3 393.575 3.893 20 10 GHCDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001474184828 1074286443 /nfs/dbraw/zinc/28/64/43/1074286443.db2.gz IUBIAFBATBEFJR-UPZGHSNSSA-N 1 3 393.575 3.893 20 10 GHCDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001474184828 1074286446 /nfs/dbraw/zinc/28/64/46/1074286446.db2.gz IUBIAFBATBEFJR-UPZGHSNSSA-N 1 3 393.575 3.893 20 10 GHCDHO CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000769526177 874132235 /nfs/dbraw/zinc/13/22/35/874132235.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 1 3 379.976 3.674 20 10 GHCDHO CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000769526177 874132242 /nfs/dbraw/zinc/13/22/42/874132242.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 1 3 379.976 3.674 20 10 GHCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137629 876691558 /nfs/dbraw/zinc/69/15/58/876691558.db2.gz RASMCAJQKJKAEI-LAUBAEHRSA-N 1 3 392.584 3.925 20 10 GHCDHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137629 876691566 /nfs/dbraw/zinc/69/15/66/876691566.db2.gz RASMCAJQKJKAEI-LAUBAEHRSA-N 1 3 392.584 3.925 20 10 GHCDHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877038328 893452492 /nfs/dbraw/zinc/45/24/92/893452492.db2.gz MJDDUHDCFYJNJC-FQEVSTJZSA-N 1 3 393.575 3.963 20 10 GHCDHO CCN1CCN([C@H](C)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559857 893998858 /nfs/dbraw/zinc/99/88/58/893998858.db2.gz RMBHEAHMUCDPBO-OFNKIYASSA-N 1 3 381.564 3.682 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640340 929755258 /nfs/dbraw/zinc/75/52/58/929755258.db2.gz RZUVCZJZOCVIEC-XFQXTVEOSA-N 1 3 384.495 3.826 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640340 929755268 /nfs/dbraw/zinc/75/52/68/929755268.db2.gz RZUVCZJZOCVIEC-XFQXTVEOSA-N 1 3 384.495 3.826 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304521 1021354262 /nfs/dbraw/zinc/35/42/62/1021354262.db2.gz SQFNEKNHKFWUTN-HSZRJFAPSA-N 1 3 379.548 3.790 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304521 1021354282 /nfs/dbraw/zinc/35/42/82/1021354282.db2.gz SQFNEKNHKFWUTN-HSZRJFAPSA-N 1 3 379.548 3.790 20 10 GHCDHO CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccc3)c1[O-])CC[NH2+]CC2 ZINC001222225561 1030019971 /nfs/dbraw/zinc/01/99/71/1030019971.db2.gz FQKNCLVGLQQUSE-NRFANRHFSA-N 1 3 394.515 3.566 20 10 GHCDHO CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1[O-])CC[NH2+]CC2 ZINC001222225561 1030019988 /nfs/dbraw/zinc/01/99/88/1030019988.db2.gz FQKNCLVGLQQUSE-NRFANRHFSA-N 1 3 394.515 3.566 20 10 GHCDHO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001206761041 1033973870 /nfs/dbraw/zinc/97/38/70/1033973870.db2.gz RXYWIORXLAQQAO-UHFFFAOYSA-N 1 3 380.410 3.783 20 10 GHCDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660046 1040195895 /nfs/dbraw/zinc/19/58/95/1040195895.db2.gz CIBPUVCEINYURN-OFNKIYASSA-N 1 3 394.563 3.828 20 10 GHCDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660046 1040195907 /nfs/dbraw/zinc/19/59/07/1040195907.db2.gz CIBPUVCEINYURN-OFNKIYASSA-N 1 3 394.563 3.828 20 10 GHCDHO CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000155125548 836438761 /nfs/dbraw/zinc/43/87/61/836438761.db2.gz BUTBBCZDDZUEEV-GOSISDBHSA-N 1 3 398.389 3.613 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342520 838518021 /nfs/dbraw/zinc/51/80/21/838518021.db2.gz VCMDRTPVXPZZNW-FQEVSTJZSA-N 1 3 380.580 3.741 20 10 GHCDHO Cc1nn(C(C)C)c(C)c1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000893224417 839028553 /nfs/dbraw/zinc/02/85/53/839028553.db2.gz DMAJAUNQELBJSA-UHFFFAOYSA-N 1 3 395.595 3.903 20 10 GHCDHO CN1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000775646229 872246699 /nfs/dbraw/zinc/24/66/99/872246699.db2.gz VRMGBERHXXGFJM-UHFFFAOYSA-N 1 3 377.532 3.533 20 10 GHCDHO COc1cc(Br)cc(CN2CCC(CCC[NH+](C)C)CC2)c1O ZINC000093688386 912385810 /nfs/dbraw/zinc/38/58/10/912385810.db2.gz BBAZFSRCGAUTAC-UHFFFAOYSA-N 1 3 385.346 3.717 20 10 GHCDHO Cc1cc(Cl)cc([C@H](C)NCc2ccncc2OCCC[NH+](C)C)c1O ZINC000808719754 886704236 /nfs/dbraw/zinc/70/42/36/886704236.db2.gz IWWSGCKJOLBNTD-HNNXBMFYSA-N 1 3 377.916 3.930 20 10 GHCDHO CCCN(CCC)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000809740795 887776273 /nfs/dbraw/zinc/77/62/73/887776273.db2.gz IVBHEJUSCDQSDM-DEOSSOPVSA-N 1 3 386.628 3.913 20 10 GHCDHO CCCN(CCC)c1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000809740795 887776287 /nfs/dbraw/zinc/77/62/87/887776287.db2.gz IVBHEJUSCDQSDM-DEOSSOPVSA-N 1 3 386.628 3.913 20 10 GHCDHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877038329 893452101 /nfs/dbraw/zinc/45/21/01/893452101.db2.gz MJDDUHDCFYJNJC-HXUWFJFHSA-N 1 3 393.575 3.963 20 10 GHCDHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773146960 904486651 /nfs/dbraw/zinc/48/66/51/904486651.db2.gz SEQYSYXRGDJBIX-GOSISDBHSA-N 1 3 394.519 3.978 20 10 GHCDHO Cc1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000092855867 911867211 /nfs/dbraw/zinc/86/72/11/911867211.db2.gz HJLKKZCRQOSNHN-UHFFFAOYSA-N 1 3 394.519 3.725 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[N@@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367598 922131316 /nfs/dbraw/zinc/13/13/16/922131316.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[N@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367598 922131320 /nfs/dbraw/zinc/13/13/20/922131320.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[NH+]2CC[C@@H](CF)C2)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000902367598 922131324 /nfs/dbraw/zinc/13/13/24/922131324.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2c(ccc(O)c2C[NH+]2CC[C@@H](CF)C2)c1C[N@H+]1CC[C@@H](CF)C1 ZINC000902367598 922131328 /nfs/dbraw/zinc/13/13/28/922131328.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO Cc1ccc(O)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001140621090 1022093980 /nfs/dbraw/zinc/09/39/80/1022093980.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1ccc(O)c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001140621090 1022093994 /nfs/dbraw/zinc/09/39/94/1022093994.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 1 3 384.564 3.661 20 10 GHCDHO COc1cc(CN2CCC3(CCc4ccccc4O3)CC2)cc(C[NH+](C)C)c1O ZINC001139259020 1026109929 /nfs/dbraw/zinc/10/99/29/1026109929.db2.gz DWTXPWQKBYJJDC-UHFFFAOYSA-N 1 3 396.531 3.822 20 10 GHCDHO COc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c(O)cc1Br ZINC001235235787 1040716077 /nfs/dbraw/zinc/71/60/77/1040716077.db2.gz AZKDDXWEIYDBPU-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])cc1Br ZINC001235235787 1040716091 /nfs/dbraw/zinc/71/60/91/1040716091.db2.gz AZKDDXWEIYDBPU-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432638 1047804400 /nfs/dbraw/zinc/80/44/00/1047804400.db2.gz HFIHLOAIFFMYRJ-OAQYLSRUSA-N 1 3 379.976 3.594 20 10 GHCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432638 1047804412 /nfs/dbraw/zinc/80/44/12/1047804412.db2.gz HFIHLOAIFFMYRJ-OAQYLSRUSA-N 1 3 379.976 3.594 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC001321023082 1056061318 /nfs/dbraw/zinc/06/13/18/1056061318.db2.gz KHPXUFMQKFPJNV-UWJYYQICSA-N 1 3 380.532 3.995 20 10 GHCDHO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000848549909 1057171833 /nfs/dbraw/zinc/17/18/33/1057171833.db2.gz XIZCFYGJEKLCKN-GFCCVEGCSA-N 1 3 383.330 3.688 20 10 GHCDHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685627 1074514460 /nfs/dbraw/zinc/51/44/60/1074514460.db2.gz WLFDGXDKPDZNNH-ZJSXRUAMSA-N 1 3 392.591 3.581 20 10 GHCDHO CN(C)Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)c2c1OC(F)(F)O2 ZINC001199865060 875220620 /nfs/dbraw/zinc/22/06/20/875220620.db2.gz NBPMCSUAPNDMMK-UHFFFAOYSA-N 1 3 395.425 3.565 20 10 GHCDHO CN(C)c1ccc(CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1F ZINC001199865060 875220635 /nfs/dbraw/zinc/22/06/35/875220635.db2.gz NBPMCSUAPNDMMK-UHFFFAOYSA-N 1 3 395.425 3.565 20 10 GHCDHO CN(C)CC[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815576236 894013722 /nfs/dbraw/zinc/01/37/22/894013722.db2.gz MMPSZSZDRZXWLE-DEOSSOPVSA-N 1 3 395.591 3.929 20 10 GHCDHO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578366 895747148 /nfs/dbraw/zinc/74/71/48/895747148.db2.gz UPPQNPDERPZJOE-OAHLLOKOSA-N 1 3 376.907 3.867 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778643774 897842107 /nfs/dbraw/zinc/84/21/07/897842107.db2.gz WIOJERSTNKTZSH-UGKGYDQZSA-N 1 3 397.538 3.663 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903325 901486467 /nfs/dbraw/zinc/48/64/67/901486467.db2.gz XOACBWZLRFDHOW-IMSXRSKXSA-N 1 3 396.531 3.690 20 10 GHCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903325 901486474 /nfs/dbraw/zinc/48/64/74/901486474.db2.gz XOACBWZLRFDHOW-IMSXRSKXSA-N 1 3 396.531 3.690 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339005 909496901 /nfs/dbraw/zinc/49/69/01/909496901.db2.gz QEBAQTRJNARJAC-OFNKIYASSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001179339005 909496907 /nfs/dbraw/zinc/49/69/07/909496907.db2.gz QEBAQTRJNARJAC-OFNKIYASSA-N 1 3 393.575 3.505 20 10 GHCDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339005 909496912 /nfs/dbraw/zinc/49/69/12/909496912.db2.gz QEBAQTRJNARJAC-OFNKIYASSA-N 1 3 393.575 3.505 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001116585196 933647911 /nfs/dbraw/zinc/64/79/11/933647911.db2.gz SOCVDOYRGWHTEP-NQIIRXRSSA-N 1 3 379.548 3.786 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304066 1021354612 /nfs/dbraw/zinc/35/46/12/1021354612.db2.gz GYMMUPXPZPMCFL-QHCPKHFHSA-N 1 3 396.604 3.980 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304066 1021354629 /nfs/dbraw/zinc/35/46/29/1021354629.db2.gz GYMMUPXPZPMCFL-QHCPKHFHSA-N 1 3 396.604 3.980 20 10 GHCDHO COc1cc([O-])c(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001141028851 1023278363 /nfs/dbraw/zinc/27/83/63/1023278363.db2.gz CGUNCSNGMRJDLL-UHFFFAOYSA-N 1 3 384.520 3.753 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001141028851 1023278370 /nfs/dbraw/zinc/27/83/70/1023278370.db2.gz CGUNCSNGMRJDLL-UHFFFAOYSA-N 1 3 384.520 3.753 20 10 GHCDHO CC[NH+]1CCC(CC2CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)CC1 ZINC001141030964 1023296418 /nfs/dbraw/zinc/29/64/18/1023296418.db2.gz SKVPKXVLDPNRDJ-UHFFFAOYSA-N 1 3 376.541 3.743 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3ccc(C)cc3C[NH+](C)C)CC2)cc1 ZINC001164336024 1026488982 /nfs/dbraw/zinc/48/89/82/1026488982.db2.gz OFJFVMMDIKJZKZ-UHFFFAOYSA-N 1 3 396.579 3.689 20 10 GHCDHO CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234993700 1040488086 /nfs/dbraw/zinc/48/80/86/1040488086.db2.gz AMYVQQMLYPJTGT-UHFFFAOYSA-N 1 3 381.564 3.909 20 10 GHCDHO CCN1CCN(c2ccc(CN3CC[NH2+]C[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001235812822 1041324993 /nfs/dbraw/zinc/32/49/93/1041324993.db2.gz CVLPBGGVAMVIHL-QHCPKHFHSA-N 1 3 398.982 3.628 20 10 GHCDHO CCN1CCN(c2ccc(CN3CC[NH2+]C[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001235812820 1041325936 /nfs/dbraw/zinc/32/59/36/1041325936.db2.gz CVLPBGGVAMVIHL-HSZRJFAPSA-N 1 3 398.982 3.628 20 10 GHCDHO C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1[O-] ZINC001308901931 1050150068 /nfs/dbraw/zinc/15/00/68/1050150068.db2.gz KLDLUGNEPGEDPW-KRWDZBQOSA-N 1 3 383.492 3.906 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001331383028 1051265848 /nfs/dbraw/zinc/26/58/48/1051265848.db2.gz ZUDHBLRPBIVKSC-ICSRJNTNSA-N 1 3 380.532 3.866 20 10 GHCDHO Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-] ZINC000775727289 873224634 /nfs/dbraw/zinc/22/46/34/873224634.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO Cc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-] ZINC000775727289 873224646 /nfs/dbraw/zinc/22/46/46/873224646.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO CCCN(CCC)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000769523657 874131004 /nfs/dbraw/zinc/13/10/04/874131004.db2.gz CLVWGQUDNXIZLI-XUZZJYLKSA-N 1 3 386.628 3.771 20 10 GHCDHO COc1ccc(N2CC[C@@H](NC3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488061 876963554 /nfs/dbraw/zinc/96/35/54/876963554.db2.gz PSKATPAAXPPMSD-NZQKXSOJSA-N 1 3 393.575 3.959 20 10 GHCDHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648121 886615348 /nfs/dbraw/zinc/61/53/48/886615348.db2.gz HQBDDKJEQMYAGV-OALUTQOASA-N 1 3 377.548 3.968 20 10 GHCDHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648121 886615353 /nfs/dbraw/zinc/61/53/53/886615353.db2.gz HQBDDKJEQMYAGV-OALUTQOASA-N 1 3 377.548 3.968 20 10 GHCDHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126702059 893799577 /nfs/dbraw/zinc/79/95/77/893799577.db2.gz IILXYEAUPQMWBE-DEOSSOPVSA-N 1 3 380.580 3.741 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778643624 897841540 /nfs/dbraw/zinc/84/15/40/897841540.db2.gz UUFBAFTWMAFLOK-OFNKIYASSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643624 897841550 /nfs/dbraw/zinc/84/15/50/897841550.db2.gz UUFBAFTWMAFLOK-OFNKIYASSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643624 897841559 /nfs/dbraw/zinc/84/15/59/897841559.db2.gz UUFBAFTWMAFLOK-OFNKIYASSA-N 1 3 379.548 3.523 20 10 GHCDHO CCN1CCN(c2ccc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352832 /nfs/dbraw/zinc/35/28/32/1021352832.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 1 3 396.623 3.669 20 10 GHCDHO CCN1CCN(c2ccc(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352853 /nfs/dbraw/zinc/35/28/53/1021352853.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 1 3 396.623 3.669 20 10 GHCDHO COc1ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c([O-])c1 ZINC001203623928 1027486619 /nfs/dbraw/zinc/48/66/19/1027486619.db2.gz YJJFZXUEJRCKBO-UHFFFAOYSA-N 1 3 381.520 3.672 20 10 GHCDHO COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c([O-])c1 ZINC001203623928 1027486623 /nfs/dbraw/zinc/48/66/23/1027486623.db2.gz YJJFZXUEJRCKBO-UHFFFAOYSA-N 1 3 381.520 3.672 20 10 GHCDHO Cc1cc(Br)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1[O-] ZINC001206755776 1033970514 /nfs/dbraw/zinc/97/05/14/1033970514.db2.gz PFVDEOUQHFFWEE-UHFFFAOYSA-N 1 3 389.337 3.956 20 10 GHCDHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591897 1034745432 /nfs/dbraw/zinc/74/54/32/1034745432.db2.gz IREFEDNWCHZFIJ-QFIPXVFZSA-N 1 3 395.547 3.599 20 10 GHCDHO COc1cc(N(C)C)ccc1CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001231852697 1034943581 /nfs/dbraw/zinc/94/35/81/1034943581.db2.gz LWJFLUAWJKJTQU-UHFFFAOYSA-N 1 3 383.536 3.842 20 10 GHCDHO COc1cc(N(C)C)ccc1CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001231852697 1034943586 /nfs/dbraw/zinc/94/35/86/1034943586.db2.gz LWJFLUAWJKJTQU-UHFFFAOYSA-N 1 3 383.536 3.842 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5N4)CC3)cc2)CC1 ZINC001237342447 1042158007 /nfs/dbraw/zinc/15/80/07/1042158007.db2.gz CZOJTODFWFSPAJ-UHFFFAOYSA-N 1 3 390.575 3.831 20 10 GHCDHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132795852 835423330 /nfs/dbraw/zinc/42/33/30/835423330.db2.gz GNGRAQYFSKLPRR-OALUTQOASA-N 1 3 389.559 3.968 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000760713548 854574893 /nfs/dbraw/zinc/57/48/93/854574893.db2.gz PJXGQKRIZVYRGL-ZZYHAFTGSA-N 1 3 393.575 3.769 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000760713548 854574901 /nfs/dbraw/zinc/57/49/01/854574901.db2.gz PJXGQKRIZVYRGL-ZZYHAFTGSA-N 1 3 393.575 3.769 20 10 GHCDHO CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909391 901568164 /nfs/dbraw/zinc/56/81/64/901568164.db2.gz BCWQBWLRFYROOQ-KFKAGJAMSA-N 1 3 385.474 3.632 20 10 GHCDHO CN1CCN(c2ccc(CNC(C)(C)CC[NH+]3CCCCCC3)cc2F)CC1 ZINC001178527656 909089348 /nfs/dbraw/zinc/08/93/48/909089348.db2.gz DUUWQUCXPYQUQQ-UHFFFAOYSA-N 1 3 390.591 3.712 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781637425 930919137 /nfs/dbraw/zinc/91/91/37/930919137.db2.gz ARPDNVXLBWORAA-DEOSSOPVSA-N 1 3 388.511 3.916 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000781637425 930919144 /nfs/dbraw/zinc/91/91/44/930919144.db2.gz ARPDNVXLBWORAA-DEOSSOPVSA-N 1 3 388.511 3.916 20 10 GHCDHO Cc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(Cl)n1 ZINC000797602453 932341658 /nfs/dbraw/zinc/34/16/58/932341658.db2.gz RQCCGPKJPZWGOR-UHFFFAOYSA-N 1 3 384.955 3.865 20 10 GHCDHO CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1OC ZINC000834519136 1021240613 /nfs/dbraw/zinc/24/06/13/1021240613.db2.gz QJJFBURYQBOJNX-LJQANCHMSA-N 1 3 384.520 3.899 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C)CCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001140301123 1021347038 /nfs/dbraw/zinc/34/70/38/1021347038.db2.gz ZZKQJKKJYIJDDQ-UHFFFAOYSA-N 1 3 397.563 3.520 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001140301123 1021347058 /nfs/dbraw/zinc/34/70/58/1021347058.db2.gz ZZKQJKKJYIJDDQ-UHFFFAOYSA-N 1 3 397.563 3.520 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304522 1021353845 /nfs/dbraw/zinc/35/38/45/1021353845.db2.gz SQFNEKNHKFWUTN-QHCPKHFHSA-N 1 3 379.548 3.790 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304522 1021353864 /nfs/dbraw/zinc/35/38/64/1021353864.db2.gz SQFNEKNHKFWUTN-QHCPKHFHSA-N 1 3 379.548 3.790 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C)[C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306209 1021361977 /nfs/dbraw/zinc/36/19/77/1021361977.db2.gz PFJKVPYOEWMBPX-FQEVSTJZSA-N 1 3 381.564 3.900 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306209 1021361991 /nfs/dbraw/zinc/36/19/91/1021361991.db2.gz PFJKVPYOEWMBPX-FQEVSTJZSA-N 1 3 381.564 3.900 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](CC)Cc3ccc4c(c3)OCO4)cc2)CC1 ZINC001140309691 1021370069 /nfs/dbraw/zinc/37/00/69/1021370069.db2.gz QTEDDBFLAAHKQM-UHFFFAOYSA-N 1 3 381.520 3.579 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](CC)Cc3ccc4c(c3)OCO4)cc2)CC1 ZINC001140309691 1021370086 /nfs/dbraw/zinc/37/00/86/1021370086.db2.gz QTEDDBFLAAHKQM-UHFFFAOYSA-N 1 3 381.520 3.579 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756551853 1023710595 /nfs/dbraw/zinc/71/05/95/1023710595.db2.gz YMFQPTXTWWYISY-FOIQADDNSA-N 1 3 384.495 3.826 20 10 GHCDHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920448 1029686117 /nfs/dbraw/zinc/68/61/17/1029686117.db2.gz IOKFJUCNCOBBTE-QIJUGHKUSA-N 1 3 397.538 3.658 20 10 GHCDHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920448 1029686118 /nfs/dbraw/zinc/68/61/18/1029686118.db2.gz IOKFJUCNCOBBTE-QIJUGHKUSA-N 1 3 397.538 3.658 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381264 /nfs/dbraw/zinc/38/12/64/1039381264.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 1 3 388.533 3.597 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381276 /nfs/dbraw/zinc/38/12/76/1039381276.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 1 3 388.533 3.597 20 10 GHCDHO [O-]c1cccc(OC(F)(F)F)c1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092536 1040581129 /nfs/dbraw/zinc/58/11/29/1040581129.db2.gz VYHSELBUODMQLV-UHFFFAOYSA-N 1 3 392.421 3.928 20 10 GHCDHO CC[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235962064 1041468400 /nfs/dbraw/zinc/46/84/00/1041468400.db2.gz JMXJEOSBGCNVFQ-UHFFFAOYSA-N 1 3 391.309 3.659 20 10 GHCDHO CC[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235962064 1041468408 /nfs/dbraw/zinc/46/84/08/1041468408.db2.gz JMXJEOSBGCNVFQ-UHFFFAOYSA-N 1 3 391.309 3.659 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342652 838518701 /nfs/dbraw/zinc/51/87/01/838518701.db2.gz VCMDRTPVXPZZNW-HXUWFJFHSA-N 1 3 380.580 3.741 20 10 GHCDHO CCN1CCN(c2ccccc2C[NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000475195940 854858900 /nfs/dbraw/zinc/85/89/00/854858900.db2.gz OOMUYHHSPPWUOI-UHFFFAOYSA-N 1 3 376.548 3.918 20 10 GHCDHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000817888655 895930768 /nfs/dbraw/zinc/93/07/68/895930768.db2.gz OCFOWKLJINXCIT-GMAHTHKFSA-N 1 3 395.572 3.585 20 10 GHCDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903643 895956589 /nfs/dbraw/zinc/95/65/89/895956589.db2.gz SDZLBUQUARJTPP-AWEZNQCLSA-N 1 3 390.478 3.770 20 10 GHCDHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796481 903310039 /nfs/dbraw/zinc/31/00/39/903310039.db2.gz GNGRAQYFSKLPRR-RTBURBONSA-N 1 3 389.559 3.968 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297122 /nfs/dbraw/zinc/29/71/22/1023297122.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 1 3 398.547 3.804 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297136 /nfs/dbraw/zinc/29/71/36/1023297136.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 1 3 398.547 3.804 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000840883986 1027921121 /nfs/dbraw/zinc/92/11/21/1027921121.db2.gz IHDRPFCOVZQOIL-APWZRJJASA-N 1 3 384.495 3.696 20 10 GHCDHO COc1cccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222573550 1030203422 /nfs/dbraw/zinc/20/34/22/1030203422.db2.gz ATMFFEHEJBWTIH-OAQYLSRUSA-N 1 3 396.531 3.704 20 10 GHCDHO COc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)c1O ZINC001222573550 1030203434 /nfs/dbraw/zinc/20/34/34/1030203434.db2.gz ATMFFEHEJBWTIH-OAQYLSRUSA-N 1 3 396.531 3.704 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001231844477 1034938781 /nfs/dbraw/zinc/93/87/81/1034938781.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 1 3 398.591 3.970 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001231844477 1034938789 /nfs/dbraw/zinc/93/87/89/1034938789.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 1 3 398.591 3.970 20 10 GHCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660044 1040195204 /nfs/dbraw/zinc/19/52/04/1040195204.db2.gz CIBPUVCEINYURN-NZQKXSOJSA-N 1 3 394.563 3.828 20 10 GHCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660044 1040195215 /nfs/dbraw/zinc/19/52/15/1040195215.db2.gz CIBPUVCEINYURN-NZQKXSOJSA-N 1 3 394.563 3.828 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(CNc5ccccc54)CC3)cc2)CC1 ZINC001235142405 1040637365 /nfs/dbraw/zinc/63/73/65/1040637365.db2.gz FXZRBGLHYUZKAV-UHFFFAOYSA-N 1 3 390.575 3.788 20 10 GHCDHO COc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321221 /nfs/dbraw/zinc/32/12/21/1042321221.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321227 /nfs/dbraw/zinc/32/12/27/1042321227.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820543 1056988807 /nfs/dbraw/zinc/98/88/07/1056988807.db2.gz IOFLPOCBQXBGOI-AUSIDOKSSA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820543 1056988809 /nfs/dbraw/zinc/98/88/09/1056988809.db2.gz IOFLPOCBQXBGOI-AUSIDOKSSA-N 1 3 397.538 3.663 20 10 GHCDHO CN1CCN(c2ccc(C[NH2+][C@@H](CN3CCCC3)c3ccccc3)cc2F)CC1 ZINC001473909684 1074200038 /nfs/dbraw/zinc/20/00/38/1074200038.db2.gz VVDKBERJRAJMIE-QHCPKHFHSA-N 1 3 396.554 3.504 20 10 GHCDHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648126 886615303 /nfs/dbraw/zinc/61/53/03/886615303.db2.gz HQBDDKJEQMYAGV-RTBURBONSA-N 1 3 377.548 3.968 20 10 GHCDHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648126 886615313 /nfs/dbraw/zinc/61/53/13/886615313.db2.gz HQBDDKJEQMYAGV-RTBURBONSA-N 1 3 377.548 3.968 20 10 GHCDHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000817888654 895931130 /nfs/dbraw/zinc/93/11/30/895931130.db2.gz OCFOWKLJINXCIT-GGAORHGYSA-N 1 3 395.572 3.585 20 10 GHCDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903645 895956220 /nfs/dbraw/zinc/95/62/20/895956220.db2.gz SDZLBUQUARJTPP-CQSZACIVSA-N 1 3 390.478 3.770 20 10 GHCDHO COc1cc(C)ccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000824037333 899355540 /nfs/dbraw/zinc/35/55/40/899355540.db2.gz KCIAHMQGJDVIPJ-UHFFFAOYSA-N 1 3 379.548 3.825 20 10 GHCDHO COc1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000092855762 911867266 /nfs/dbraw/zinc/86/72/66/911867266.db2.gz ULVNZAIOZUFVPF-UHFFFAOYSA-N 1 3 383.511 3.656 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077918 /nfs/dbraw/zinc/07/79/18/917077918.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 1 3 383.580 3.751 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077927 /nfs/dbraw/zinc/07/79/27/917077927.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 1 3 383.580 3.751 20 10 GHCDHO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501175 918392854 /nfs/dbraw/zinc/39/28/54/918392854.db2.gz CGFJYZKBQPGWKU-OAHLLOKOSA-N 1 3 376.907 3.867 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309750 1021370509 /nfs/dbraw/zinc/37/05/09/1021370509.db2.gz STFAHNIXTWUCDA-HSZRJFAPSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309750 1021370534 /nfs/dbraw/zinc/37/05/34/1021370534.db2.gz STFAHNIXTWUCDA-HSZRJFAPSA-N 1 3 383.511 3.621 20 10 GHCDHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606899 1023735151 /nfs/dbraw/zinc/73/51/51/1023735151.db2.gz FJUJFNMQPQKVPD-SJLPKXTDSA-N 1 3 375.532 3.620 20 10 GHCDHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591895 1034745973 /nfs/dbraw/zinc/74/59/73/1034745973.db2.gz IREFEDNWCHZFIJ-JOCHJYFZSA-N 1 3 395.547 3.599 20 10 GHCDHO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039025 1039968671 /nfs/dbraw/zinc/96/86/71/1039968671.db2.gz WOOCZPFBJSXGCT-UHFFFAOYSA-N 1 3 393.575 3.746 20 10 GHCDHO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039025 1039968675 /nfs/dbraw/zinc/96/86/75/1039968675.db2.gz WOOCZPFBJSXGCT-UHFFFAOYSA-N 1 3 393.575 3.746 20 10 GHCDHO [O-]c1cc2ccccc2cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051199 1039975574 /nfs/dbraw/zinc/97/55/74/1039975574.db2.gz AZIBESINEBZODN-UHFFFAOYSA-N 1 3 376.500 3.662 20 10 GHCDHO CCN(CC)c1ccc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235355325 1040834114 /nfs/dbraw/zinc/83/41/14/1040834114.db2.gz OAIPRFIWBCMFDM-ISKFKSNPSA-N 1 3 379.548 3.818 20 10 GHCDHO [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237134714 1042056667 /nfs/dbraw/zinc/05/66/67/1042056667.db2.gz AGTAGUXIZIFOLV-UHFFFAOYSA-N 1 3 386.458 3.735 20 10 GHCDHO Oc1cc(Cl)cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001308334320 1049951591 /nfs/dbraw/zinc/95/15/91/1049951591.db2.gz XDUYLYCKLIVOIC-UHFFFAOYSA-N 1 3 385.939 3.867 20 10 GHCDHO CN(C)Cc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000741280093 866355069 /nfs/dbraw/zinc/35/50/69/866355069.db2.gz VZMCWQXGORYVOQ-UHFFFAOYSA-N 1 3 392.547 3.533 20 10 GHCDHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137631 876691872 /nfs/dbraw/zinc/69/18/72/876691872.db2.gz RASMCAJQKJKAEI-UWJYYQICSA-N 1 3 392.584 3.925 20 10 GHCDHO CCOCCC[N@H+]1CC[C@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137631 876691877 /nfs/dbraw/zinc/69/18/77/876691877.db2.gz RASMCAJQKJKAEI-UWJYYQICSA-N 1 3 392.584 3.925 20 10 GHCDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406556 876888069 /nfs/dbraw/zinc/88/80/69/876888069.db2.gz LFRXAXXABNYTBI-NZQKXSOJSA-N 1 3 393.575 3.790 20 10 GHCDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406556 876888075 /nfs/dbraw/zinc/88/80/75/876888075.db2.gz LFRXAXXABNYTBI-NZQKXSOJSA-N 1 3 393.575 3.790 20 10 GHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1[O-] ZINC000808699284 886722400 /nfs/dbraw/zinc/72/24/00/886722400.db2.gz CYORAAAXIHOWHB-KRWDZBQOSA-N 1 3 379.976 3.955 20 10 GHCDHO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336872 912204189 /nfs/dbraw/zinc/20/41/89/912204189.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 1 3 397.538 3.616 20 10 GHCDHO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336872 912204204 /nfs/dbraw/zinc/20/42/04/912204204.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 1 3 397.538 3.616 20 10 GHCDHO Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000757856930 929827759 /nfs/dbraw/zinc/82/77/59/929827759.db2.gz INURXOCUNQHTGC-UHFFFAOYSA-N 1 3 394.519 3.725 20 10 GHCDHO CC[NH+](CC)CCCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000783594261 931590624 /nfs/dbraw/zinc/59/06/24/931590624.db2.gz FKEIKEZDDFHEPL-UHFFFAOYSA-N 1 3 391.575 3.996 20 10 GHCDHO Cc1cc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)ccc1N(C)C ZINC001139670940 935556238 /nfs/dbraw/zinc/55/62/38/935556238.db2.gz GVTFTFYALDLKNL-UHFFFAOYSA-N 1 3 378.564 3.944 20 10 GHCDHO CCN1CCN(c2ccc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236268635 1032592443 /nfs/dbraw/zinc/59/24/43/1032592443.db2.gz BQRKMKWOCXVVLI-RUZDIDTESA-N 1 3 392.591 3.583 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309751 1021371371 /nfs/dbraw/zinc/37/13/71/1021371371.db2.gz STFAHNIXTWUCDA-QHCPKHFHSA-N 1 3 383.511 3.621 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309751 1021371387 /nfs/dbraw/zinc/37/13/87/1021371387.db2.gz STFAHNIXTWUCDA-QHCPKHFHSA-N 1 3 383.511 3.621 20 10 GHCDHO Cc1ccc(O)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001140621087 1022094189 /nfs/dbraw/zinc/09/41/89/1022094189.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1ccc(O)c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001140621087 1022094208 /nfs/dbraw/zinc/09/42/08/1022094208.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO COc1cc([O-])c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301482 /nfs/dbraw/zinc/30/14/82/1023301482.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301483 /nfs/dbraw/zinc/30/14/83/1023301483.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301487 /nfs/dbraw/zinc/30/14/87/1023301487.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc([O-])c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301488 /nfs/dbraw/zinc/30/14/88/1023301488.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 1 3 396.531 3.753 20 10 GHCDHO COc1cc(CN2CCC(n3cnc4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001139259485 1026110552 /nfs/dbraw/zinc/11/05/52/1026110552.db2.gz CUZUJISXIBGICJ-UHFFFAOYSA-N 1 3 394.519 3.649 20 10 GHCDHO Oc1cc2c(cc1C[NH+]1CCC3(CCCc4ccccc43)CC1)CNCCO2 ZINC001222615156 1030239264 /nfs/dbraw/zinc/23/92/64/1030239264.db2.gz LZPZLFGTTPXCAL-UHFFFAOYSA-N 1 3 378.516 3.744 20 10 GHCDHO Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001231593669 1034749148 /nfs/dbraw/zinc/74/91/48/1034749148.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001231593669 1034749155 /nfs/dbraw/zinc/74/91/55/1034749155.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO CN1CCC[C@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613940 1034954902 /nfs/dbraw/zinc/95/49/02/1034954902.db2.gz IIOCPAALBSJVFD-QFIPXVFZSA-N 1 3 379.548 3.729 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234999630 1040494782 /nfs/dbraw/zinc/49/47/82/1040494782.db2.gz NICLFJNTNMGUPN-LJQANCHMSA-N 1 3 375.310 3.883 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234999630 1040494788 /nfs/dbraw/zinc/49/47/88/1040494788.db2.gz NICLFJNTNMGUPN-LJQANCHMSA-N 1 3 375.310 3.883 20 10 GHCDHO CN1CCN(c2ccc(-c3[nH+]ccc4c3ccn4Cc3ccccc3)cn2)CC1 ZINC001235967752 1041470728 /nfs/dbraw/zinc/47/07/28/1041470728.db2.gz PKXQLZITELOORB-UHFFFAOYSA-N 1 3 383.499 3.898 20 10 GHCDHO CN(C)c1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1F ZINC000733324844 862865749 /nfs/dbraw/zinc/86/57/49/862865749.db2.gz GIODWEJKJQPPOV-UHFFFAOYSA-N 1 3 398.570 3.579 20 10 GHCDHO CN1CCN(c2ccc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679187 872809749 /nfs/dbraw/zinc/80/97/49/872809749.db2.gz PYSZGCDZQZUTJG-HSZRJFAPSA-N 1 3 384.612 3.526 20 10 GHCDHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC001199403768 874971792 /nfs/dbraw/zinc/97/17/92/874971792.db2.gz ZWWXMYCZNJLHJV-UHFFFAOYSA-N 1 3 393.575 3.699 20 10 GHCDHO C[N@@H+]1CCCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266483 876092481 /nfs/dbraw/zinc/09/24/81/876092481.db2.gz VZXQFIYUIJFYAH-QHCPKHFHSA-N 1 3 381.564 3.683 20 10 GHCDHO C[N@H+]1CCCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266483 876092492 /nfs/dbraw/zinc/09/24/92/876092492.db2.gz VZXQFIYUIJFYAH-QHCPKHFHSA-N 1 3 381.564 3.683 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712846 /nfs/dbraw/zinc/71/28/46/912712846.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712859 /nfs/dbraw/zinc/71/28/59/912712859.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 1 3 382.504 3.507 20 10 GHCDHO CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC[NH+](C)CC1 ZINC000810252218 888352499 /nfs/dbraw/zinc/35/24/99/888352499.db2.gz LVOIIQNKHQUHEV-ZDUSSCGKSA-N 1 3 387.387 3.941 20 10 GHCDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000817414406 895590787 /nfs/dbraw/zinc/59/07/87/895590787.db2.gz YQYKCIBITQMBLI-UHFFFAOYSA-N 1 3 384.612 3.669 20 10 GHCDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000817414406 895590796 /nfs/dbraw/zinc/59/07/96/895590796.db2.gz YQYKCIBITQMBLI-UHFFFAOYSA-N 1 3 384.612 3.669 20 10 GHCDHO COc1cc(Br)cc(CN2CCC(C3CC[NH+](C)CC3)CC2)c1O ZINC001204339147 1032780585 /nfs/dbraw/zinc/78/05/85/1032780585.db2.gz WWWVRMBLNZOHLW-UHFFFAOYSA-N 1 3 397.357 3.717 20 10 GHCDHO COc1ccc(N2CC[NH+](C[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208927667 1035092712 /nfs/dbraw/zinc/09/27/12/1035092712.db2.gz BRLRYSKRKYORMH-JOCHJYFZSA-N 1 3 379.548 3.729 20 10 GHCDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001318625729 1054757697 /nfs/dbraw/zinc/75/76/97/1054757697.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 1 3 398.570 3.708 20 10 GHCDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001318625729 1054757712 /nfs/dbraw/zinc/75/77/12/1054757712.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 1 3 398.570 3.708 20 10 GHCDHO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379295 /nfs/dbraw/zinc/37/92/95/1074379295.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379300 /nfs/dbraw/zinc/37/93/00/1074379300.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 1 3 384.520 3.894 20 10 GHCDHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796069 835423344 /nfs/dbraw/zinc/42/33/44/835423344.db2.gz GNGRAQYFSKLPRR-MOPGFXCFSA-N 1 3 389.559 3.968 20 10 GHCDHO CC[NH+](CC)CC1CC[NH+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CC1 ZINC000738072083 865479937 /nfs/dbraw/zinc/47/99/37/865479937.db2.gz ZTUREAUJZADTMA-UHFFFAOYSA-N 1 3 384.520 3.886 20 10 GHCDHO COc1ccc(N(c2ccc(N)cc2)c2cc[nH+]c(N3CCN(C)CC3)c2)cc1 ZINC001201667559 875804971 /nfs/dbraw/zinc/80/49/71/875804971.db2.gz UNHHWULGAAHYPG-UHFFFAOYSA-N 1 3 389.503 3.894 20 10 GHCDHO C[N@@H+]1CCCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266481 876094761 /nfs/dbraw/zinc/09/47/61/876094761.db2.gz VZXQFIYUIJFYAH-HSZRJFAPSA-N 1 3 381.564 3.683 20 10 GHCDHO C[N@H+]1CCCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266481 876094767 /nfs/dbraw/zinc/09/47/67/876094767.db2.gz VZXQFIYUIJFYAH-HSZRJFAPSA-N 1 3 381.564 3.683 20 10 GHCDHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405709 876887073 /nfs/dbraw/zinc/88/70/73/876887073.db2.gz AFBWJUXTULGAAX-UHFFFAOYSA-N 1 3 395.591 3.896 20 10 GHCDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405709 876887082 /nfs/dbraw/zinc/88/70/82/876887082.db2.gz AFBWJUXTULGAAX-UHFFFAOYSA-N 1 3 395.591 3.896 20 10 GHCDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900797 895954407 /nfs/dbraw/zinc/95/44/07/895954407.db2.gz SAIQPLMDNYOWHG-DJPFJPOOSA-N 1 3 389.490 3.805 20 10 GHCDHO CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909392 901567771 /nfs/dbraw/zinc/56/77/71/901567771.db2.gz BCWQBWLRFYROOQ-LZQZEXGQSA-N 1 3 385.474 3.632 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077541 /nfs/dbraw/zinc/07/75/41/917077541.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 1 3 383.580 3.751 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077549 /nfs/dbraw/zinc/07/75/49/917077549.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 1 3 383.580 3.751 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077716 /nfs/dbraw/zinc/07/77/16/917077716.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 1 3 383.580 3.751 20 10 GHCDHO COC1CCN(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077725 /nfs/dbraw/zinc/07/77/25/917077725.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 1 3 383.580 3.751 20 10 GHCDHO Cc1nn(C(C)C)cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798496928 932671601 /nfs/dbraw/zinc/67/16/01/932671601.db2.gz YFROXRZZDISKQK-UHFFFAOYSA-N 1 3 381.568 3.594 20 10 GHCDHO CCOc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c([O-])c1 ZINC000725845174 1022386668 /nfs/dbraw/zinc/38/66/68/1022386668.db2.gz QWUPCGNAGCXCHS-UHFFFAOYSA-N 1 3 397.563 3.791 20 10 GHCDHO CN1CCOc2cc(C[NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)ccc21 ZINC001141144999 1023964669 /nfs/dbraw/zinc/96/46/69/1023964669.db2.gz NYURMXVFERAVJC-UHFFFAOYSA-N 1 3 377.532 3.613 20 10 GHCDHO CCOc1cccc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1O ZINC001203602268 1027466334 /nfs/dbraw/zinc/46/63/34/1027466334.db2.gz LXACXYPKNNJCKR-UHFFFAOYSA-N 1 3 377.488 3.970 20 10 GHCDHO COc1cc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632785 1034793174 /nfs/dbraw/zinc/79/31/74/1034793174.db2.gz DCIQQNWGULBLRN-NRFANRHFSA-N 1 3 386.492 3.576 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938292 /nfs/dbraw/zinc/93/82/92/1034938292.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 1 3 394.563 3.581 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938294 /nfs/dbraw/zinc/93/82/94/1034938294.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 1 3 394.563 3.581 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001231844218 1034938876 /nfs/dbraw/zinc/93/88/76/1034938876.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 1 3 398.591 3.970 20 10 GHCDHO Cc1cc(C)c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001231844218 1034938885 /nfs/dbraw/zinc/93/88/85/1034938885.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 1 3 398.591 3.970 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236556421 1041761337 /nfs/dbraw/zinc/76/13/37/1041761337.db2.gz CARVMEJHWHAZEB-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236556421 1041761343 /nfs/dbraw/zinc/76/13/43/1041761343.db2.gz CARVMEJHWHAZEB-WGSAOQKQSA-N 1 3 384.520 3.990 20 10 GHCDHO CC(C)C[NH+]1CCC(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC1 ZINC001258005059 1044331619 /nfs/dbraw/zinc/33/16/19/1044331619.db2.gz OFQJVBQQRBRJEC-DHIUTWEWSA-N 1 3 383.536 3.549 20 10 GHCDHO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000161162036 859657581 /nfs/dbraw/zinc/65/75/81/859657581.db2.gz YZFMLZUJTPTHPI-IBGZPJMESA-N 1 3 381.564 3.950 20 10 GHCDHO CCN(C)c1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161162036 859657585 /nfs/dbraw/zinc/65/75/85/859657585.db2.gz YZFMLZUJTPTHPI-IBGZPJMESA-N 1 3 381.564 3.950 20 10 GHCDHO C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162611 873124109 /nfs/dbraw/zinc/12/41/09/873124109.db2.gz RZCACEPSAXWDLK-JOCHJYFZSA-N 1 3 384.520 3.514 20 10 GHCDHO C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162611 873124114 /nfs/dbraw/zinc/12/41/14/873124114.db2.gz RZCACEPSAXWDLK-JOCHJYFZSA-N 1 3 384.520 3.514 20 10 GHCDHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137630 876691697 /nfs/dbraw/zinc/69/16/97/876691697.db2.gz RASMCAJQKJKAEI-UTKZUKDTSA-N 1 3 392.584 3.925 20 10 GHCDHO CCOCCC[N@H+]1CC[C@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137630 876691707 /nfs/dbraw/zinc/69/17/07/876691707.db2.gz RASMCAJQKJKAEI-UTKZUKDTSA-N 1 3 392.584 3.925 20 10 GHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000808687175 886643887 /nfs/dbraw/zinc/64/38/87/886643887.db2.gz KGHLDRUSMLJVIJ-QGZVFWFLSA-N 1 3 388.943 3.612 20 10 GHCDHO CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209417 888321361 /nfs/dbraw/zinc/32/13/61/888321361.db2.gz QUHWSFQKNGTVQA-SFHVURJKSA-N 1 3 387.490 3.869 20 10 GHCDHO CN(C)CC[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815576237 894014144 /nfs/dbraw/zinc/01/41/44/894014144.db2.gz MMPSZSZDRZXWLE-XMMPIXPASA-N 1 3 395.591 3.929 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912063 901520060 /nfs/dbraw/zinc/52/00/60/901520060.db2.gz REVSVIUDZRAGFQ-KIFXHHALSA-N 1 3 396.531 3.832 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000844912063 901520071 /nfs/dbraw/zinc/52/00/71/901520071.db2.gz REVSVIUDZRAGFQ-KIFXHHALSA-N 1 3 396.531 3.832 20 10 GHCDHO C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1[O-] ZINC000183488007 907398937 /nfs/dbraw/zinc/39/89/37/907398937.db2.gz QRLJVZMEEUUOMY-GOSISDBHSA-N 1 3 384.520 3.733 20 10 GHCDHO C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1[O-] ZINC000183488007 907398961 /nfs/dbraw/zinc/39/89/61/907398961.db2.gz QRLJVZMEEUUOMY-GOSISDBHSA-N 1 3 384.520 3.733 20 10 GHCDHO COc1ccc(N2CCN(CCCNc3[nH+]c(C)cc4[nH]ccc43)CC2)cc1 ZINC001156261424 1032947739 /nfs/dbraw/zinc/94/77/39/1032947739.db2.gz VLMDUFICWHSAEO-UHFFFAOYSA-N 1 3 379.508 3.504 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305537 1021359678 /nfs/dbraw/zinc/35/96/78/1021359678.db2.gz BFGOPFFRGFYQDH-FQEVSTJZSA-N 1 3 397.567 3.715 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305537 1021359697 /nfs/dbraw/zinc/35/96/97/1021359697.db2.gz BFGOPFFRGFYQDH-FQEVSTJZSA-N 1 3 397.567 3.715 20 10 GHCDHO COc1cccc(CC2CCN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)c1 ZINC001139259356 1026110465 /nfs/dbraw/zinc/11/04/65/1026110465.db2.gz SNIMPXZPROOEDX-UHFFFAOYSA-N 1 3 398.547 3.926 20 10 GHCDHO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139412002 1026283238 /nfs/dbraw/zinc/28/32/38/1026283238.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 1 3 392.591 3.535 20 10 GHCDHO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139412002 1026283250 /nfs/dbraw/zinc/28/32/50/1026283250.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 1 3 392.591 3.535 20 10 GHCDHO COc1ccc(N2CCC([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000841073761 1028092018 /nfs/dbraw/zinc/09/20/18/1028092018.db2.gz PWQDUDHPNGQRLW-YADARESESA-N 1 3 397.538 3.786 20 10 GHCDHO COc1ccc(Br)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235243021 1040725306 /nfs/dbraw/zinc/72/53/06/1040725306.db2.gz VAWCDVVUZKRUOG-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC001321023076 1056061595 /nfs/dbraw/zinc/06/15/95/1056061595.db2.gz KHPXUFMQKFPJNV-LAUBAEHRSA-N 1 3 380.532 3.995 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820544 1056988858 /nfs/dbraw/zinc/98/88/58/1056988858.db2.gz IOFLPOCBQXBGOI-CVDCTZTESA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820544 1056988860 /nfs/dbraw/zinc/98/88/60/1056988860.db2.gz IOFLPOCBQXBGOI-CVDCTZTESA-N 1 3 397.538 3.663 20 10 GHCDHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848524374 1057148167 /nfs/dbraw/zinc/14/81/67/1057148167.db2.gz IHTPEDRPPKWYIF-ZDUSSCGKSA-N 1 3 385.346 3.936 20 10 GHCDHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664748 872489142 /nfs/dbraw/zinc/48/91/42/872489142.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 1 3 384.612 3.525 20 10 GHCDHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775664748 872489148 /nfs/dbraw/zinc/48/91/48/872489148.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 1 3 384.612 3.525 20 10 GHCDHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100712 882847104 /nfs/dbraw/zinc/84/71/04/882847104.db2.gz XCAHYLCWNXIRAC-MRXNPFEDSA-N 1 3 385.474 3.504 20 10 GHCDHO C[NH+](C)CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776266453 876094867 /nfs/dbraw/zinc/09/48/67/876094867.db2.gz VPZMMIRUFQTIPX-HSZRJFAPSA-N 1 3 381.564 3.682 20 10 GHCDHO C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3[O-])C2)CC1 ZINC000815579399 894019588 /nfs/dbraw/zinc/01/95/88/894019588.db2.gz MIQGMRPYOZKXDM-XUZZJYLKSA-N 1 3 393.575 3.824 20 10 GHCDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898451 895952860 /nfs/dbraw/zinc/95/28/60/895952860.db2.gz GFNFDIZBPZZECW-NVXWUHKLSA-N 1 3 390.478 3.770 20 10 GHCDHO CN(c1ccccc1CNCc1ccc2c(c1)CCCN2C)C1CC[NH+](C)CC1 ZINC000133461304 898439166 /nfs/dbraw/zinc/43/91/66/898439166.db2.gz DWKKHJIRKZPJKT-UHFFFAOYSA-N 1 3 392.591 3.889 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304065 1021354181 /nfs/dbraw/zinc/35/41/81/1021354181.db2.gz GYMMUPXPZPMCFL-HSZRJFAPSA-N 1 3 396.604 3.980 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304065 1021354194 /nfs/dbraw/zinc/35/41/94/1021354194.db2.gz GYMMUPXPZPMCFL-HSZRJFAPSA-N 1 3 396.604 3.980 20 10 GHCDHO COc1ccc(O)c(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573711 1030205195 /nfs/dbraw/zinc/20/51/95/1030205195.db2.gz BZCQZMHFWHXXEA-NRFANRHFSA-N 1 3 396.531 3.704 20 10 GHCDHO [NH3+][C@H](c1ccccc1O)[C@H](Nc1cc(N2CCCC2)ccn1)c1ccccc1O ZINC001160618728 1035017506 /nfs/dbraw/zinc/01/75/06/1035017506.db2.gz ISPXBJFWLWDPSH-DHIUTWEWSA-N 1 3 390.487 3.946 20 10 GHCDHO COc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])cc1Br ZINC001235157933 1040651115 /nfs/dbraw/zinc/65/11/15/1040651115.db2.gz SNKSVKPQDALKQH-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])cc1Br ZINC001235157933 1040651128 /nfs/dbraw/zinc/65/11/28/1040651128.db2.gz SNKSVKPQDALKQH-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)CNCCO2 ZINC001235918411 1041430049 /nfs/dbraw/zinc/43/00/49/1041430049.db2.gz DQVOJTLWHQPZEG-OAHLLOKOSA-N 1 3 392.421 3.883 20 10 GHCDHO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)CNCCO2 ZINC001235918411 1041430054 /nfs/dbraw/zinc/43/00/54/1041430054.db2.gz DQVOJTLWHQPZEG-OAHLLOKOSA-N 1 3 392.421 3.883 20 10 GHCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432635 1047804476 /nfs/dbraw/zinc/80/44/76/1047804476.db2.gz HFIHLOAIFFMYRJ-NRFANRHFSA-N 1 3 379.976 3.594 20 10 GHCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432635 1047804482 /nfs/dbraw/zinc/80/44/82/1047804482.db2.gz HFIHLOAIFFMYRJ-NRFANRHFSA-N 1 3 379.976 3.594 20 10 GHCDHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685626 1074514265 /nfs/dbraw/zinc/51/42/65/1074514265.db2.gz WLFDGXDKPDZNNH-XUZZJYLKSA-N 1 3 392.591 3.581 20 10 GHCDHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001199335975 874934247 /nfs/dbraw/zinc/93/42/47/874934247.db2.gz FLGYEFCDIFHZDA-FPLPWBNLSA-N 1 3 392.591 3.693 20 10 GHCDHO CN(C)c1ccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000771934820 875558063 /nfs/dbraw/zinc/55/80/63/875558063.db2.gz AFBHAMJMRSDVAQ-UHFFFAOYSA-N 1 3 380.580 3.915 20 10 GHCDHO C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741138 887776383 /nfs/dbraw/zinc/77/63/83/887776383.db2.gz KKMWJNMXJWUIJC-QHCPKHFHSA-N 1 3 379.548 3.660 20 10 GHCDHO C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741138 887776394 /nfs/dbraw/zinc/77/63/94/887776394.db2.gz KKMWJNMXJWUIJC-QHCPKHFHSA-N 1 3 379.548 3.660 20 10 GHCDHO COc1cc(F)cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000824037171 899355001 /nfs/dbraw/zinc/35/50/01/899355001.db2.gz DAGJIZULKIXJPN-UHFFFAOYSA-N 1 3 383.511 3.656 20 10 GHCDHO c1c2cnccc2oc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000845944497 902548165 /nfs/dbraw/zinc/54/81/65/902548165.db2.gz BRSLLEDVGATSQP-UHFFFAOYSA-N 1 3 376.504 3.650 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304109 1021355197 /nfs/dbraw/zinc/35/51/97/1021355197.db2.gz IKGBTUHDRKYXPY-XMMPIXPASA-N 1 3 379.548 3.620 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304109 1021355217 /nfs/dbraw/zinc/35/52/17/1021355217.db2.gz IKGBTUHDRKYXPY-XMMPIXPASA-N 1 3 379.548 3.620 20 10 GHCDHO COc1cc(Br)cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000841086393 1028111231 /nfs/dbraw/zinc/11/12/31/1028111231.db2.gz HWPQFKASZNARIB-MRXNPFEDSA-N 1 3 379.298 3.733 20 10 GHCDHO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841099801 1028134587 /nfs/dbraw/zinc/13/45/87/1028134587.db2.gz PDRHLGDLUOHLMH-LADGPHEKSA-N 1 3 396.531 3.690 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234999627 1040495260 /nfs/dbraw/zinc/49/52/60/1040495260.db2.gz NICLFJNTNMGUPN-IBGZPJMESA-N 1 3 375.310 3.883 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234999627 1040495269 /nfs/dbraw/zinc/49/52/69/1040495269.db2.gz NICLFJNTNMGUPN-IBGZPJMESA-N 1 3 375.310 3.883 20 10 GHCDHO COc1cc(O)c(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875766 /nfs/dbraw/zinc/87/57/66/1041875766.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 1 3 398.547 3.804 20 10 GHCDHO COc1cc(O)c(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875770 /nfs/dbraw/zinc/87/57/70/1041875770.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 1 3 398.547 3.804 20 10 GHCDHO [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961782 1041970746 /nfs/dbraw/zinc/97/07/46/1041970746.db2.gz GZRZFYLJEDJVQI-UHFFFAOYSA-N 1 3 386.458 3.935 20 10 GHCDHO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001237265391 1042113017 /nfs/dbraw/zinc/11/30/17/1042113017.db2.gz OYBHVKXAEXBQSK-UHFFFAOYSA-N 1 3 380.410 3.568 20 10 GHCDHO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001237265391 1042113021 /nfs/dbraw/zinc/11/30/21/1042113021.db2.gz OYBHVKXAEXBQSK-UHFFFAOYSA-N 1 3 380.410 3.568 20 10 GHCDHO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001237487910 1042231685 /nfs/dbraw/zinc/23/16/85/1042231685.db2.gz FZVHAOLYEWFCAT-OAQYLSRUSA-N 1 3 380.532 3.956 20 10 GHCDHO COc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320784 /nfs/dbraw/zinc/32/07/84/1042320784.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320791 /nfs/dbraw/zinc/32/07/91/1042320791.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 1 3 396.531 3.898 20 10 GHCDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N(C)C)c(F)c1 ZINC001308439484 1049976681 /nfs/dbraw/zinc/97/66/81/1049976681.db2.gz GTAWXDAWTDOCSD-NFBKMPQASA-N 1 3 385.527 3.518 20 10 GHCDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(N(C)C)c(F)c1 ZINC001308439484 1049976683 /nfs/dbraw/zinc/97/66/83/1049976683.db2.gz GTAWXDAWTDOCSD-NFBKMPQASA-N 1 3 385.527 3.518 20 10 GHCDHO CCN(Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160326837 838293470 /nfs/dbraw/zinc/29/34/70/838293470.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 1 3 384.520 3.753 20 10 GHCDHO CCN(Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160326837 838293477 /nfs/dbraw/zinc/29/34/77/838293477.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 1 3 384.520 3.753 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1OC ZINC000768465280 873331103 /nfs/dbraw/zinc/33/11/03/873331103.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1OC ZINC000768465280 873331118 /nfs/dbraw/zinc/33/11/18/873331118.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO CCN1CCN(c2cccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000770153391 874517735 /nfs/dbraw/zinc/51/77/35/874517735.db2.gz MAOPUMIGDUUGBH-UHFFFAOYSA-N 1 3 392.547 3.677 20 10 GHCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406558 876888339 /nfs/dbraw/zinc/88/83/39/876888339.db2.gz LFRXAXXABNYTBI-REWPJTCUSA-N 1 3 393.575 3.790 20 10 GHCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406558 876888344 /nfs/dbraw/zinc/88/83/44/876888344.db2.gz LFRXAXXABNYTBI-REWPJTCUSA-N 1 3 393.575 3.790 20 10 GHCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248179 877364401 /nfs/dbraw/zinc/36/44/01/877364401.db2.gz HWRWLRVSIMAYKJ-QHCPKHFHSA-N 1 3 396.531 3.562 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(c4cccc(O)c4)CC3)cc2)CC1 ZINC001140309768 1021370390 /nfs/dbraw/zinc/37/03/90/1021370390.db2.gz UCWMUGJQIHRBMD-UHFFFAOYSA-N 1 3 379.548 3.914 20 10 GHCDHO COc1cccc([C@H]2CCCN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261097 1026111724 /nfs/dbraw/zinc/11/17/24/1026111724.db2.gz UPDFKAYSJNGGQB-IBGZPJMESA-N 1 3 384.520 3.851 20 10 GHCDHO OC1CC[NH+](Cc2ccccc2CNCc2ccc(N3CCCC3)cc2)CC1 ZINC001461264988 1069468921 /nfs/dbraw/zinc/46/89/21/1069468921.db2.gz UXPZQLICOZBAGK-UHFFFAOYSA-N 1 3 379.548 3.533 20 10 GHCDHO OC1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001461264988 1069468925 /nfs/dbraw/zinc/46/89/25/1069468925.db2.gz UXPZQLICOZBAGK-UHFFFAOYSA-N 1 3 379.548 3.533 20 10 GHCDHO COc1cc(Br)cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1O ZINC001235232257 1040712705 /nfs/dbraw/zinc/71/27/05/1040712705.db2.gz WYQCKNQYNNNQES-MRXNPFEDSA-N 1 3 383.330 3.517 20 10 GHCDHO Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856560180 881440714 /nfs/dbraw/zinc/44/07/14/881440714.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 1 3 383.536 3.898 20 10 GHCDHO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856560180 881440717 /nfs/dbraw/zinc/44/07/17/881440717.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 1 3 383.536 3.898 20 10 GHCDHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761258 859598363 /nfs/dbraw/zinc/59/83/63/859598363.db2.gz IRAFXDSETHAQPJ-IBGZPJMESA-N 1 3 397.538 3.761 20 10 GHCDHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761258 859598372 /nfs/dbraw/zinc/59/83/72/859598372.db2.gz IRAFXDSETHAQPJ-IBGZPJMESA-N 1 3 397.538 3.761 20 10 GHCDHO Fc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ccc1N1CCOCC1 ZINC000769513662 874121178 /nfs/dbraw/zinc/12/11/78/874121178.db2.gz FBABIGJBHXEMST-UHFFFAOYSA-N 1 3 389.559 3.750 20 10 GHCDHO OC1CCN(c2ccc(CNC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989031 893421751 /nfs/dbraw/zinc/42/17/51/893421751.db2.gz RVALGNNOKZANMQ-QHCPKHFHSA-N 1 3 393.575 3.650 20 10 GHCDHO OC1CCN(c2ccc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989031 893421758 /nfs/dbraw/zinc/42/17/58/893421758.db2.gz RVALGNNOKZANMQ-QHCPKHFHSA-N 1 3 393.575 3.650 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903331 901486544 /nfs/dbraw/zinc/48/65/44/901486544.db2.gz XOACBWZLRFDHOW-YZUZCNPQSA-N 1 3 396.531 3.690 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903331 901486552 /nfs/dbraw/zinc/48/65/52/901486552.db2.gz XOACBWZLRFDHOW-YZUZCNPQSA-N 1 3 396.531 3.690 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001116585198 933648096 /nfs/dbraw/zinc/64/80/96/933648096.db2.gz SOCVDOYRGWHTEP-WIYYLYMNSA-N 1 3 379.548 3.786 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309611 1021369911 /nfs/dbraw/zinc/36/99/11/1021369911.db2.gz NTEAGUOUYJUVMM-JOCHJYFZSA-N 1 3 377.532 3.533 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309611 1021369929 /nfs/dbraw/zinc/36/99/29/1021369929.db2.gz NTEAGUOUYJUVMM-JOCHJYFZSA-N 1 3 377.532 3.533 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(F)ccc1[O-] ZINC000756779322 1023812486 /nfs/dbraw/zinc/81/24/86/1023812486.db2.gz JBYRGCFTOIGTAL-KRWDZBQOSA-N 1 3 383.511 3.914 20 10 GHCDHO COc1cc(CN(C)Cc2ccc(N3CCCC3)cc2)cc(C[NH+](C)C)c1O ZINC001139256820 1026105931 /nfs/dbraw/zinc/10/59/31/1026105931.db2.gz LUUGFTHNPBODQY-UHFFFAOYSA-N 1 3 383.536 3.695 20 10 GHCDHO COc1cc(CN2CCC[C@@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256935 1026106234 /nfs/dbraw/zinc/10/62/34/1026106234.db2.gz NEHKDVNDMOHVSR-OAQYLSRUSA-N 1 3 384.520 3.814 20 10 GHCDHO OC1CCN(c2ccc(CNCC[NH+]3CCC4(CCCCC4)CC3)cc2)CC1 ZINC001461480642 1069569581 /nfs/dbraw/zinc/56/95/81/1069569581.db2.gz YIUDWTUSYFGVGC-UHFFFAOYSA-N 1 3 385.596 3.784 20 10 GHCDHO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)c(O)c1 ZINC001235366644 1040859223 /nfs/dbraw/zinc/85/92/23/1040859223.db2.gz DWWYPLDDKMUAQQ-RCZVLFRGSA-N 1 3 393.575 3.992 20 10 GHCDHO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)c(O)c1 ZINC001235366644 1040859228 /nfs/dbraw/zinc/85/92/28/1040859228.db2.gz DWWYPLDDKMUAQQ-RCZVLFRGSA-N 1 3 393.575 3.992 20 10 GHCDHO COc1cc(O)c(CN(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236536415 1041755943 /nfs/dbraw/zinc/75/59/43/1041755943.db2.gz DBGJDYLJQUPXFK-QAQDUYKDSA-N 1 3 388.483 3.821 20 10 GHCDHO COc1cc([O-])c(C[N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236536415 1041755950 /nfs/dbraw/zinc/75/59/50/1041755950.db2.gz DBGJDYLJQUPXFK-QAQDUYKDSA-N 1 3 388.483 3.821 20 10 GHCDHO COc1cc([O-])c(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236536415 1041755956 /nfs/dbraw/zinc/75/59/56/1041755956.db2.gz DBGJDYLJQUPXFK-QAQDUYKDSA-N 1 3 388.483 3.821 20 10 GHCDHO CCc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001236788408 1041894211 /nfs/dbraw/zinc/89/42/11/1041894211.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 1 3 398.591 3.915 20 10 GHCDHO CCc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001236788408 1041894219 /nfs/dbraw/zinc/89/42/19/1041894219.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 1 3 398.591 3.915 20 10 GHCDHO CN(Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146494 1044435242 /nfs/dbraw/zinc/43/52/42/1044435242.db2.gz ZWVKPOMPJBLQMI-UHFFFAOYSA-N 1 3 393.575 3.662 20 10 GHCDHO CCc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914924 1057418236 /nfs/dbraw/zinc/41/82/36/1057418236.db2.gz VKXGUNMFGYOWMQ-HSZRJFAPSA-N 1 3 394.559 3.973 20 10 GHCDHO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713420 /nfs/dbraw/zinc/71/34/20/912713420.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713429 /nfs/dbraw/zinc/71/34/29/912713429.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 1 3 382.504 3.507 20 10 GHCDHO CN1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000809763376 887804781 /nfs/dbraw/zinc/80/47/81/887804781.db2.gz AZWFMFBUBSOKCF-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000809763376 887804788 /nfs/dbraw/zinc/80/47/88/887804788.db2.gz AZWFMFBUBSOKCF-UHFFFAOYSA-N 1 3 392.591 3.535 20 10 GHCDHO Cc1ccccc1C[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876942572 893396770 /nfs/dbraw/zinc/39/67/70/893396770.db2.gz ZQXRBYJJZOXUAB-UHFFFAOYSA-N 1 3 393.575 3.710 20 10 GHCDHO Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1O ZINC000816643435 894987016 /nfs/dbraw/zinc/98/70/16/894987016.db2.gz FRPSTMXOUPTEKF-JOCHJYFZSA-N 1 3 380.532 3.719 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897928 895953893 /nfs/dbraw/zinc/95/38/93/895953893.db2.gz AUFYLCLEDJQFDU-YGWPLHOASA-N 1 3 379.495 3.767 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Oc4ncccc4C)CC3)cc2)CC1 ZINC001140309867 1021370756 /nfs/dbraw/zinc/37/07/56/1021370756.db2.gz XVCLAKZURZPSNL-UHFFFAOYSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432945 1023646896 /nfs/dbraw/zinc/64/68/96/1023646896.db2.gz LKMIPSWZWHJAEP-FQEVSTJZSA-N 1 3 381.564 3.997 20 10 GHCDHO Oc1c(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336835 1024697781 /nfs/dbraw/zinc/69/77/81/1024697781.db2.gz FWPNYVZAJFHFFH-OAQYLSRUSA-N 1 3 383.580 3.931 20 10 GHCDHO Oc1c(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336835 1024697784 /nfs/dbraw/zinc/69/77/84/1024697784.db2.gz FWPNYVZAJFHFFH-OAQYLSRUSA-N 1 3 383.580 3.931 20 10 GHCDHO COc1cccc(C2CCN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)c1 ZINC001139259988 1026110037 /nfs/dbraw/zinc/11/00/37/1026110037.db2.gz GYXXBFKDKILZJK-UHFFFAOYSA-N 1 3 384.520 3.851 20 10 GHCDHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141684 /nfs/dbraw/zinc/14/16/84/1041141684.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 1 3 386.580 3.870 20 10 GHCDHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141695 /nfs/dbraw/zinc/14/16/95/1041141695.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 1 3 386.580 3.870 20 10 GHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001319762774 1055452102 /nfs/dbraw/zinc/45/21/02/1055452102.db2.gz HZBQCJBNJMQAES-HXUWFJFHSA-N 1 3 380.580 3.741 20 10 GHCDHO OC1CC[NH+](Cc2ccccc2CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC001474035740 1074243595 /nfs/dbraw/zinc/24/35/95/1074243595.db2.gz ZZSOSJNXXJNODK-UHFFFAOYSA-N 1 3 393.575 3.923 20 10 GHCDHO OC1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001474035740 1074243597 /nfs/dbraw/zinc/24/35/97/1074243597.db2.gz ZZSOSJNXXJNODK-UHFFFAOYSA-N 1 3 393.575 3.923 20 10 GHCDHO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856560414 881440561 /nfs/dbraw/zinc/44/05/61/881440561.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 1 3 399.535 3.679 20 10 GHCDHO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856560414 881440566 /nfs/dbraw/zinc/44/05/66/881440566.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 1 3 399.535 3.679 20 10 GHCDHO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000163394551 885156473 /nfs/dbraw/zinc/15/64/73/885156473.db2.gz KKOBDOCIXHCZMD-UHFFFAOYSA-N 1 3 397.485 3.506 20 10 GHCDHO C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741137 887777035 /nfs/dbraw/zinc/77/70/35/887777035.db2.gz KKMWJNMXJWUIJC-HSZRJFAPSA-N 1 3 379.548 3.660 20 10 GHCDHO C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741137 887777045 /nfs/dbraw/zinc/77/70/45/887777045.db2.gz KKMWJNMXJWUIJC-HSZRJFAPSA-N 1 3 379.548 3.660 20 10 GHCDHO COc1ccc(C)cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125502341 892715852 /nfs/dbraw/zinc/71/58/52/892715852.db2.gz CVJJXTYLIDRFTA-UHFFFAOYSA-N 1 3 379.548 3.825 20 10 GHCDHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796249 903310607 /nfs/dbraw/zinc/31/06/07/903310607.db2.gz GNGRAQYFSKLPRR-RBUKOAKNSA-N 1 3 389.559 3.968 20 10 GHCDHO Cc1cc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)ccc1N1CCCCC1 ZINC000828554983 935660419 /nfs/dbraw/zinc/66/04/19/935660419.db2.gz IYDKQEOYNFIBEE-UHFFFAOYSA-N 1 3 398.639 3.976 20 10 GHCDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461006418 1069332035 /nfs/dbraw/zinc/33/20/35/1069332035.db2.gz ZQRAICFZWHGIQA-UHFFFAOYSA-N 1 3 398.570 3.709 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309746 1021371004 /nfs/dbraw/zinc/37/10/04/1021371004.db2.gz SODHINKWQWBKHO-JOCHJYFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309746 1021371021 /nfs/dbraw/zinc/37/10/21/1021371021.db2.gz SODHINKWQWBKHO-JOCHJYFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141142402 1023574439 /nfs/dbraw/zinc/57/44/39/1023574439.db2.gz OIGJXCBCSQCQCS-QHCPKHFHSA-N 1 3 395.547 3.985 20 10 GHCDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701266 /nfs/dbraw/zinc/70/12/66/1024701266.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 1 3 383.580 3.930 20 10 GHCDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701280 /nfs/dbraw/zinc/70/12/80/1024701280.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 1 3 383.580 3.930 20 10 GHCDHO COc1cc(O)c(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1OC ZINC001236757740 1041875807 /nfs/dbraw/zinc/87/58/07/1041875807.db2.gz ONJMEYKIPJZDEV-UHFFFAOYSA-N 1 3 382.504 3.507 20 10 GHCDHO CCOc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c([O-])c1 ZINC001237041032 1042001967 /nfs/dbraw/zinc/00/19/67/1042001967.db2.gz OHDUSEOAKISZRL-UHFFFAOYSA-N 1 3 381.520 3.674 20 10 GHCDHO CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c([O-])c1 ZINC001237041032 1042001976 /nfs/dbraw/zinc/00/19/76/1042001976.db2.gz OHDUSEOAKISZRL-UHFFFAOYSA-N 1 3 381.520 3.674 20 10 GHCDHO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001237487908 1042231330 /nfs/dbraw/zinc/23/13/30/1042231330.db2.gz FZVHAOLYEWFCAT-NRFANRHFSA-N 1 3 380.532 3.956 20 10 GHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC001321023073 1056060939 /nfs/dbraw/zinc/06/09/39/1056060939.db2.gz KHPXUFMQKFPJNV-DYESRHJHSA-N 1 3 380.532 3.995 20 10 GHCDHO C[C@@H]1C[N@H+](CCCNCc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971285 875958543 /nfs/dbraw/zinc/95/85/43/875958543.db2.gz MHVRAZGRQDSLAZ-OAQYLSRUSA-N 1 3 393.575 3.840 20 10 GHCDHO C[C@@H]1C[N@@H+](CCCNCc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971285 875958546 /nfs/dbraw/zinc/95/85/46/875958546.db2.gz MHVRAZGRQDSLAZ-OAQYLSRUSA-N 1 3 393.575 3.840 20 10 GHCDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(N2CCOCC2)cc1 ZINC000153571075 886383731 /nfs/dbraw/zinc/38/37/31/886383731.db2.gz PJXGQKRIZVYRGL-NHCUHLMSSA-N 1 3 393.575 3.769 20 10 GHCDHO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(CN(C)C)c3)c2)CC1 ZINC000123343408 890532012 /nfs/dbraw/zinc/53/20/12/890532012.db2.gz IGFKEZWVMNLEDJ-UHFFFAOYSA-N 1 3 380.536 3.531 20 10 GHCDHO CN(C)c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149460 893521844 /nfs/dbraw/zinc/52/18/44/893521844.db2.gz NZSHVQGIDTUEEM-HSZRJFAPSA-N 1 3 393.575 3.771 20 10 GHCDHO CN(C)c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149460 893521859 /nfs/dbraw/zinc/52/18/59/893521859.db2.gz NZSHVQGIDTUEEM-HSZRJFAPSA-N 1 3 393.575 3.771 20 10 GHCDHO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149460 893521876 /nfs/dbraw/zinc/52/18/76/893521876.db2.gz NZSHVQGIDTUEEM-HSZRJFAPSA-N 1 3 393.575 3.771 20 10 GHCDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942363 895970700 /nfs/dbraw/zinc/97/07/00/895970700.db2.gz OLKILWFLDYWTGU-AEFFLSMTSA-N 1 3 388.537 3.821 20 10 GHCDHO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778643625 897842159 /nfs/dbraw/zinc/84/21/59/897842159.db2.gz UUFBAFTWMAFLOK-REWPJTCUSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643625 897842166 /nfs/dbraw/zinc/84/21/66/897842166.db2.gz UUFBAFTWMAFLOK-REWPJTCUSA-N 1 3 379.548 3.523 20 10 GHCDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643625 897842175 /nfs/dbraw/zinc/84/21/75/897842175.db2.gz UUFBAFTWMAFLOK-REWPJTCUSA-N 1 3 379.548 3.523 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903329 901487634 /nfs/dbraw/zinc/48/76/34/901487634.db2.gz XOACBWZLRFDHOW-PQNGQFLHSA-N 1 3 396.531 3.690 20 10 GHCDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1 ZINC000844903329 901487651 /nfs/dbraw/zinc/48/76/51/901487651.db2.gz XOACBWZLRFDHOW-PQNGQFLHSA-N 1 3 396.531 3.690 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640343 929755131 /nfs/dbraw/zinc/75/51/31/929755131.db2.gz RZUVCZJZOCVIEC-ZTNFWEORSA-N 1 3 384.495 3.826 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000757640343 929755132 /nfs/dbraw/zinc/75/51/32/929755132.db2.gz RZUVCZJZOCVIEC-ZTNFWEORSA-N 1 3 384.495 3.826 20 10 GHCDHO CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1[O-] ZINC000796692168 932031802 /nfs/dbraw/zinc/03/18/02/932031802.db2.gz AFMNLAONTSKWMR-JOCHJYFZSA-N 1 3 385.527 3.910 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305703 1021361382 /nfs/dbraw/zinc/36/13/82/1021361382.db2.gz HCIJZGJEZLHFGP-JOCHJYFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305703 1021361402 /nfs/dbraw/zinc/36/14/02/1021361402.db2.gz HCIJZGJEZLHFGP-JOCHJYFZSA-N 1 3 379.548 3.827 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+](C3CCCC3)C3CCN(C)CC3)cc2)CC1 ZINC001140309326 1021368740 /nfs/dbraw/zinc/36/87/40/1021368740.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 1 3 384.612 3.667 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cc2)CC1 ZINC001140309326 1021368757 /nfs/dbraw/zinc/36/87/57/1021368757.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 1 3 384.612 3.667 20 10 GHCDHO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001140952517 1022981395 /nfs/dbraw/zinc/98/13/95/1022981395.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001140952517 1022981397 /nfs/dbraw/zinc/98/13/97/1022981397.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 1 3 384.564 3.661 20 10 GHCDHO Cc1cc([O-])c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957248 /nfs/dbraw/zinc/95/72/48/1027957248.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO Cc1cc([O-])c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957251 /nfs/dbraw/zinc/95/72/51/1027957251.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 1 3 394.003 3.982 20 10 GHCDHO CCCCN(CCCC)c1ccc(CN2CCOC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222186222 1029993627 /nfs/dbraw/zinc/99/36/27/1029993627.db2.gz ACAMNEANFXNYIA-UHFFFAOYSA-N 1 3 389.584 3.753 20 10 GHCDHO C[NH+]1CCC(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC1 ZINC001207402866 1034343436 /nfs/dbraw/zinc/34/34/36/1034343436.db2.gz OYEHQQTWVCFTLP-UHFFFAOYSA-N 1 3 390.531 3.959 20 10 GHCDHO Cc1cccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592699 1034747728 /nfs/dbraw/zinc/74/77/28/1034747728.db2.gz OZWUNNSFSLOTDP-JOCHJYFZSA-N 1 3 380.532 3.956 20 10 GHCDHO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)CC2)cc1 ZINC000165312975 854840137 /nfs/dbraw/zinc/84/01/37/854840137.db2.gz NYUQKBQUYRSWKS-QFIPXVFZSA-N 1 3 393.575 3.818 20 10 GHCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137628 876691948 /nfs/dbraw/zinc/69/19/48/876691948.db2.gz RASMCAJQKJKAEI-DYESRHJHSA-N 1 3 392.584 3.925 20 10 GHCDHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137628 876691955 /nfs/dbraw/zinc/69/19/55/876691955.db2.gz RASMCAJQKJKAEI-DYESRHJHSA-N 1 3 392.584 3.925 20 10 GHCDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618720 /nfs/dbraw/zinc/61/87/20/878618720.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 1 3 384.520 3.894 20 10 GHCDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618729 /nfs/dbraw/zinc/61/87/29/878618729.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 1 3 384.520 3.894 20 10 GHCDHO C[NH+](C)C1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815586324 894024672 /nfs/dbraw/zinc/02/46/72/894024672.db2.gz FWJHGTHCTRYMKZ-HSZRJFAPSA-N 1 3 381.564 3.682 20 10 GHCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897926 895953931 /nfs/dbraw/zinc/95/39/31/895953931.db2.gz AUFYLCLEDJQFDU-MVJPYGJCSA-N 1 3 379.495 3.767 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)cc2)CC1 ZINC001140300894 1021346052 /nfs/dbraw/zinc/34/60/52/1021346052.db2.gz VXVMULZQHUDIET-UHFFFAOYSA-N 1 3 393.575 3.621 20 10 GHCDHO CCCc1noc(C2CC[NH+](Cc3ccc(N4CCN(CC)CC4)cc3)CC2)n1 ZINC001140305922 1021360814 /nfs/dbraw/zinc/36/08/14/1021360814.db2.gz IQXIKLIACNZTGE-UHFFFAOYSA-N 1 3 397.567 3.544 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606896 1023735557 /nfs/dbraw/zinc/73/55/57/1023735557.db2.gz FJUJFNMQPQKVPD-AEFFLSMTSA-N 1 3 375.532 3.620 20 10 GHCDHO COc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1Cn1cccn1 ZINC001461017163 1069338337 /nfs/dbraw/zinc/33/83/37/1069338337.db2.gz OOQWDGYCXJLKEV-UHFFFAOYSA-N 1 3 390.531 3.826 20 10 GHCDHO COc1ccc(Br)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1[O-] ZINC001231554315 1034706426 /nfs/dbraw/zinc/70/64/26/1034706426.db2.gz OIGPXASXSZYARQ-UHFFFAOYSA-N 1 3 397.357 3.717 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380446 /nfs/dbraw/zinc/38/04/46/1039380446.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 1 3 388.533 3.597 20 10 GHCDHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380459 /nfs/dbraw/zinc/38/04/59/1039380459.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 1 3 388.533 3.597 20 10 GHCDHO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235095604 1040584925 /nfs/dbraw/zinc/58/49/25/1040584925.db2.gz VHLOROJKWSSMQY-NRFANRHFSA-N 1 3 388.458 3.792 20 10 GHCDHO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235095604 1040584939 /nfs/dbraw/zinc/58/49/39/1040584939.db2.gz VHLOROJKWSSMQY-NRFANRHFSA-N 1 3 388.458 3.792 20 10 GHCDHO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238043 1041639225 /nfs/dbraw/zinc/63/92/25/1041639225.db2.gz XWNZCWZJZKUWOG-FCEUIQTBSA-N 1 3 399.579 3.571 20 10 GHCDHO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321147 /nfs/dbraw/zinc/32/11/47/1042321147.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321154 /nfs/dbraw/zinc/32/11/54/1042321154.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 1 3 396.531 3.898 20 10 GHCDHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935672 1074210778 /nfs/dbraw/zinc/21/07/78/1074210778.db2.gz BUTXZNIOKISUKD-AATRIKPKSA-N 1 3 392.591 3.693 20 10 GHCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792936153 881826680 /nfs/dbraw/zinc/82/66/80/881826680.db2.gz MNOFXMNQZHWJGR-IYBDPMFKSA-N 1 3 387.490 3.750 20 10 GHCDHO CC(C)OCC[NH+]1CCC(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793008983 881874294 /nfs/dbraw/zinc/87/42/94/881874294.db2.gz PGLDCDGVQAILFK-UHFFFAOYSA-N 1 3 387.490 3.750 20 10 GHCDHO CCN(CC)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000771819764 875494474 /nfs/dbraw/zinc/49/44/74/875494474.db2.gz SDSPDATVNKYKQY-XMMPIXPASA-N 1 3 380.580 3.611 20 10 GHCDHO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850567475 877034745 /nfs/dbraw/zinc/03/47/45/877034745.db2.gz CXBIABSSHDDDAL-NFBKMPQASA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567475 877034758 /nfs/dbraw/zinc/03/47/58/877034758.db2.gz CXBIABSSHDDDAL-NFBKMPQASA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567475 877034770 /nfs/dbraw/zinc/03/47/70/877034770.db2.gz CXBIABSSHDDDAL-NFBKMPQASA-N 1 3 393.575 3.648 20 10 GHCDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(N2CCOCC2)cc1 ZINC000153570988 886384176 /nfs/dbraw/zinc/38/41/76/886384176.db2.gz PJXGQKRIZVYRGL-SFTDATJTSA-N 1 3 393.575 3.769 20 10 GHCDHO C[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000817984767 895992575 /nfs/dbraw/zinc/99/25/75/895992575.db2.gz ZMRUMZHMGGEPGE-APWZRJJASA-N 1 3 383.511 3.663 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781637428 930918954 /nfs/dbraw/zinc/91/89/54/930918954.db2.gz ARPDNVXLBWORAA-XMMPIXPASA-N 1 3 388.511 3.916 20 10 GHCDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000781637428 930918963 /nfs/dbraw/zinc/91/89/63/930918963.db2.gz ARPDNVXLBWORAA-XMMPIXPASA-N 1 3 388.511 3.916 20 10 GHCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309592 1021369997 /nfs/dbraw/zinc/36/99/97/1021369997.db2.gz MYCPVUZQZRNEMQ-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309592 1021370014 /nfs/dbraw/zinc/37/00/14/1021370014.db2.gz MYCPVUZQZRNEMQ-QHCPKHFHSA-N 1 3 394.563 3.575 20 10 GHCDHO CCN1CCN(c2ccc(C[NH+]3CCC(Oc4cccc(C)n4)CC3)cc2)CC1 ZINC001140309396 1021371271 /nfs/dbraw/zinc/37/12/71/1021371271.db2.gz FCFSQTZGZIKJQR-UHFFFAOYSA-N 1 3 394.563 3.575 20 10 GHCDHO COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)cc2[O-])CC3)c1 ZINC001203623446 1027485817 /nfs/dbraw/zinc/48/58/17/1027485817.db2.gz QYDBMIOFTQZDCV-UHFFFAOYSA-N 1 3 396.531 3.898 20 10 GHCDHO COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)cc2[O-])CC3)c1 ZINC001203623446 1027485829 /nfs/dbraw/zinc/48/58/29/1027485829.db2.gz QYDBMIOFTQZDCV-UHFFFAOYSA-N 1 3 396.531 3.898 20 10 GHCDHO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)C1 ZINC000841103776 1028139674 /nfs/dbraw/zinc/13/96/74/1028139674.db2.gz JRRFHWLHABSPEO-URXFXBBRSA-N 1 3 396.531 3.690 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148978 1029979333 /nfs/dbraw/zinc/97/93/33/1029979333.db2.gz SWTKUHRWODZGLJ-LJQANCHMSA-N 1 3 375.310 3.883 20 10 GHCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148978 1029979339 /nfs/dbraw/zinc/97/93/39/1029979339.db2.gz SWTKUHRWODZGLJ-LJQANCHMSA-N 1 3 375.310 3.883 20 10 GHCDHO COc1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796933 /nfs/dbraw/zinc/79/69/33/1034796933.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796943 /nfs/dbraw/zinc/79/69/43/1034796943.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 1 3 382.504 3.595 20 10 GHCDHO COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797522 /nfs/dbraw/zinc/79/75/22/1034797522.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 1 3 384.520 3.501 20 10 GHCDHO COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797533 /nfs/dbraw/zinc/79/75/33/1034797533.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 1 3 384.520 3.501 20 10 GHCDHO CCN1CCN(c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC001234661446 1040195157 /nfs/dbraw/zinc/19/51/57/1040195157.db2.gz TUJDSVGBFXQOHM-UHFFFAOYSA-N 1 3 393.575 3.914 20 10 GHCDHO COc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c(O)cc1Br ZINC001235235783 1040716384 /nfs/dbraw/zinc/71/63/84/1040716384.db2.gz AZKDDXWEIYDBPU-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])cc1Br ZINC001235235783 1040716393 /nfs/dbraw/zinc/71/63/93/1040716393.db2.gz AZKDDXWEIYDBPU-INIZCTEOSA-N 1 3 383.330 3.517 20 10 GHCDHO Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@H]1c1ccc(Cl)s1 ZINC001235839728 1041365093 /nfs/dbraw/zinc/36/50/93/1041365093.db2.gz WHWLVRUBUIWSHB-INIZCTEOSA-N 1 3 377.941 3.854 20 10 GHCDHO CC(C)(C)C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CCNCC1 ZINC001236457214 1041720617 /nfs/dbraw/zinc/72/06/17/1041720617.db2.gz KSYFOLSGEYNXDO-UHFFFAOYSA-N 1 3 379.976 3.777 20 10 GHCDHO CC(C)(C)C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CCNCC1 ZINC001236457214 1041720626 /nfs/dbraw/zinc/72/06/26/1041720626.db2.gz KSYFOLSGEYNXDO-UHFFFAOYSA-N 1 3 379.976 3.777 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053107 1046170105 /nfs/dbraw/zinc/17/01/05/1046170105.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053107 1046170116 /nfs/dbraw/zinc/17/01/16/1046170116.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@@H](CF)C3)c2c1C[N@@H+]1CC[C@@H](CF)C1 ZINC001262053107 1046170124 /nfs/dbraw/zinc/17/01/24/1046170124.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CC[C@@H](CF)C3)c2c1C[N@H+]1CC[C@@H](CF)C1 ZINC001262053107 1046170137 /nfs/dbraw/zinc/17/01/37/1046170137.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 1 3 390.474 3.834 20 10 GHCDHO COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CC[NH+](C)CC1 ZINC001474660405 1054225196 /nfs/dbraw/zinc/22/51/96/1054225196.db2.gz LNXYQKABZRCHQG-UHFFFAOYSA-N 1 3 398.547 3.761 20 10 GHCDHO COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CC[NH+](C)CC1 ZINC001474660405 1054225210 /nfs/dbraw/zinc/22/52/10/1054225210.db2.gz LNXYQKABZRCHQG-UHFFFAOYSA-N 1 3 398.547 3.761 20 10 GHCDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820545 1056988712 /nfs/dbraw/zinc/98/87/12/1056988712.db2.gz IOFLPOCBQXBGOI-WMZHIEFXSA-N 1 3 397.538 3.663 20 10 GHCDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001200820545 1056988716 /nfs/dbraw/zinc/98/87/16/1056988716.db2.gz IOFLPOCBQXBGOI-WMZHIEFXSA-N 1 3 397.538 3.663 20 10 GHCDHO