smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044127041 518835989 /nfs/dbraw/zinc/83/59/89/518835989.db2.gz WKOAMSSNOQWQQY-GOTSBHOMSA-N 1 1 410.558 4.619 50 0 HJAAMO Cc1c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cnn1C ZINC000043103087 525704520 /nfs/dbraw/zinc/70/45/20/525704520.db2.gz FAQSXMGQKWXZPP-INIZCTEOSA-N 1 1 403.452 4.517 50 0 HJAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl ZINC000032870827 526486067 /nfs/dbraw/zinc/48/60/67/526486067.db2.gz FXFQYEQSGDBJFS-SFHVURJKSA-N 1 1 421.324 4.930 50 0 HJAAMO O=C(NCc1ccccc1)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000034684420 557387262 /nfs/dbraw/zinc/38/72/62/557387262.db2.gz CFCCQPOOVRRWBR-UHFFFAOYSA-N 1 1 419.956 4.592 50 0 HJAAMO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004408515 557552597 /nfs/dbraw/zinc/55/25/97/557552597.db2.gz YDMBWNRPBDOEPC-QFIPXVFZSA-N 1 1 404.526 4.841 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004408515 557552599 /nfs/dbraw/zinc/55/25/99/557552599.db2.gz YDMBWNRPBDOEPC-QFIPXVFZSA-N 1 1 404.526 4.841 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000005065767 557633915 /nfs/dbraw/zinc/63/39/15/557633915.db2.gz IKCGWVUTHIGBAR-SFTDATJTSA-N 1 1 402.454 4.691 50 0 HJAAMO Cc1nc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+](CCc4ccc(Cl)cc4)C3)ccc2[nH]1 ZINC000011663314 558266954 /nfs/dbraw/zinc/26/69/54/558266954.db2.gz VKXRIAOPWOHBPB-IBGZPJMESA-N 1 1 424.976 4.551 50 0 HJAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011754224 558273192 /nfs/dbraw/zinc/27/31/92/558273192.db2.gz MZPISNDHKBGTTJ-MRXNPFEDSA-N 1 1 415.555 4.529 50 0 HJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011754224 558273193 /nfs/dbraw/zinc/27/31/93/558273193.db2.gz MZPISNDHKBGTTJ-MRXNPFEDSA-N 1 1 415.555 4.529 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)NCc1ccccc1F ZINC000011814187 558278460 /nfs/dbraw/zinc/27/84/60/558278460.db2.gz JPCWFAULSIDQLE-KRWDZBQOSA-N 1 1 420.475 4.736 50 0 HJAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011843274 558288300 /nfs/dbraw/zinc/28/83/00/558288300.db2.gz FNLXGVMLYWPOKX-QHCPKHFHSA-N 1 1 411.565 4.561 50 0 HJAAMO COc1cccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019841152 558294211 /nfs/dbraw/zinc/29/42/11/558294211.db2.gz ZMGNVVUFDUOJQI-UHFFFAOYSA-N 1 1 417.578 4.799 50 0 aggregator HJAAMO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019871491 558299807 /nfs/dbraw/zinc/29/98/07/558299807.db2.gz PYHQBSIHJSLTHB-JOCHJYFZSA-N 1 1 414.549 4.696 50 0 HJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012022461 558309757 /nfs/dbraw/zinc/30/97/57/558309757.db2.gz VEVWNBXIUCKREJ-UHFFFAOYSA-N 1 1 421.495 4.800 50 0 HJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012022461 558309760 /nfs/dbraw/zinc/30/97/60/558309760.db2.gz VEVWNBXIUCKREJ-UHFFFAOYSA-N 1 1 421.495 4.800 50 0 HJAAMO O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020026036 558322612 /nfs/dbraw/zinc/32/26/12/558322612.db2.gz OYENAZRMOIQOAH-UHFFFAOYSA-N 1 1 407.517 4.860 50 0 HJAAMO O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432057 558362722 /nfs/dbraw/zinc/36/27/22/558362722.db2.gz HSTIIRAEWNILCQ-UHFFFAOYSA-N 1 1 405.448 4.884 50 0 HJAAMO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368368 /nfs/dbraw/zinc/36/83/68/558368368.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 1 1 402.285 4.594 50 0 HJAAMO C[N@@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368370 /nfs/dbraw/zinc/36/83/70/558368370.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 1 1 402.285 4.594 50 0 HJAAMO Cc1cc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)nn1C ZINC000012300349 558370421 /nfs/dbraw/zinc/37/04/21/558370421.db2.gz SJFNJMQVGYJFPA-UHFFFAOYSA-N 1 1 409.896 4.664 50 0 HJAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000012305585 558374719 /nfs/dbraw/zinc/37/47/19/558374719.db2.gz JJIFHOXPBIOBGL-IBGZPJMESA-N 1 1 406.452 4.619 50 0 HJAAMO C[C@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316968 558380266 /nfs/dbraw/zinc/38/02/66/558380266.db2.gz BXHMBZBIGLORHP-KRWDZBQOSA-N 1 1 422.960 4.561 50 0 HJAAMO C[C@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316968 558380267 /nfs/dbraw/zinc/38/02/67/558380267.db2.gz BXHMBZBIGLORHP-KRWDZBQOSA-N 1 1 422.960 4.561 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012373805 558391068 /nfs/dbraw/zinc/39/10/68/558391068.db2.gz CMBFXWCRCCSCMT-JOCHJYFZSA-N 1 1 400.519 4.668 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012373805 558391071 /nfs/dbraw/zinc/39/10/71/558391071.db2.gz CMBFXWCRCCSCMT-JOCHJYFZSA-N 1 1 400.519 4.668 50 0 HJAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCCCC1 ZINC000012386092 558395026 /nfs/dbraw/zinc/39/50/26/558395026.db2.gz AJGBAPNYBWRDAM-UHFFFAOYSA-N 1 1 414.496 4.634 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454872 558416817 /nfs/dbraw/zinc/41/68/17/558416817.db2.gz YUNNFRFWIONAQY-MRXNPFEDSA-N 1 1 421.415 4.538 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454872 558416820 /nfs/dbraw/zinc/41/68/20/558416820.db2.gz YUNNFRFWIONAQY-MRXNPFEDSA-N 1 1 421.415 4.538 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000012595164 558437410 /nfs/dbraw/zinc/43/74/10/558437410.db2.gz DVGNCKKBGAAUMN-QFIPXVFZSA-N 1 1 409.574 4.730 50 0 HJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012704343 558448935 /nfs/dbraw/zinc/44/89/35/558448935.db2.gz HUSJKCBYSCEOFR-LJQANCHMSA-N 1 1 401.938 4.670 50 0 HJAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012711747 558452923 /nfs/dbraw/zinc/45/29/23/558452923.db2.gz MJSXQPVPWUAMFL-SFHVURJKSA-N 1 1 409.452 4.550 50 0 HJAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012711751 558452977 /nfs/dbraw/zinc/45/29/77/558452977.db2.gz MJSXQPVPWUAMFL-GOSISDBHSA-N 1 1 409.452 4.550 50 0 HJAAMO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 ZINC000022381634 558484704 /nfs/dbraw/zinc/48/47/04/558484704.db2.gz BRYSAOUPWXDNEP-MRXNPFEDSA-N 1 1 422.312 4.593 50 0 HJAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000023373795 558553614 /nfs/dbraw/zinc/55/36/14/558553614.db2.gz XHMUCLNWBZQDLQ-OAQYLSRUSA-N 1 1 421.610 4.697 50 0 HJAAMO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC=C(c5ccccc5)CC4)nc(N)c23)C1 ZINC000014070231 558617440 /nfs/dbraw/zinc/61/74/40/558617440.db2.gz JLBWSEPMVYXQAN-INIZCTEOSA-N 1 1 404.583 4.730 50 0 HJAAMO Cc1ccc([C@@H]([NH2+]Cc2nc3ccc(Cl)cc3n2CCO)c2cccs2)cc1 ZINC000025139236 558632433 /nfs/dbraw/zinc/63/24/33/558632433.db2.gz OPDVMGASKZRNRL-JOCHJYFZSA-N 1 1 411.958 4.931 50 0 HJAAMO O[C@@H](COc1cccc(Br)c1)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000014238183 558642357 /nfs/dbraw/zinc/64/23/57/558642357.db2.gz KEUWWMPPVFXOSW-MRXNPFEDSA-N 1 1 422.344 4.546 50 0 HJAAMO O[C@@H](COc1cccc(Br)c1)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000014238183 558642361 /nfs/dbraw/zinc/64/23/61/558642361.db2.gz KEUWWMPPVFXOSW-MRXNPFEDSA-N 1 1 422.344 4.546 50 0 HJAAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cccc3cccnc32)cc1 ZINC000026927075 558667175 /nfs/dbraw/zinc/66/71/75/558667175.db2.gz WCOMOSNRVKLEKQ-UHFFFAOYSA-N 1 1 411.505 4.922 50 0 HJAAMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccc3cccnc32)cc1 ZINC000026927075 558667178 /nfs/dbraw/zinc/66/71/78/558667178.db2.gz WCOMOSNRVKLEKQ-UHFFFAOYSA-N 1 1 411.505 4.922 50 0 HJAAMO Cc1ccc2c(c1)sc(C(=O)N1CCC[N@H+](CCc3ccncc3)CC1)c2Cl ZINC000027748210 558681676 /nfs/dbraw/zinc/68/16/76/558681676.db2.gz WCXORNZBDISQFX-UHFFFAOYSA-N 1 1 413.974 4.649 50 0 HJAAMO Cc1ccc2c(c1)sc(C(=O)N1CCC[N@@H+](CCc3ccncc3)CC1)c2Cl ZINC000027748210 558681682 /nfs/dbraw/zinc/68/16/82/558681682.db2.gz WCXORNZBDISQFX-UHFFFAOYSA-N 1 1 413.974 4.649 50 0 HJAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000014956088 558682567 /nfs/dbraw/zinc/68/25/67/558682567.db2.gz GIWWCXWVFXQSMY-HXUWFJFHSA-N 1 1 420.532 4.951 50 0 HJAAMO Cc1c([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000014966867 558686159 /nfs/dbraw/zinc/68/61/59/558686159.db2.gz ZXOSADAANWGBPB-QGZVFWFLSA-N 1 1 410.512 4.774 50 0 HJAAMO O=C1C[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000019534877 558777061 /nfs/dbraw/zinc/77/70/61/558777061.db2.gz NJWYFJGZNOVTAE-QFIPXVFZSA-N 1 1 404.897 4.674 50 0 HJAAMO CCn1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c(C)n1 ZINC000055226048 558876821 /nfs/dbraw/zinc/87/68/21/558876821.db2.gz YKUBUGLWSUXATE-QHCPKHFHSA-N 1 1 409.622 4.653 50 0 HJAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004668280 558878311 /nfs/dbraw/zinc/87/83/11/558878311.db2.gz GHBYIXRAKLWPAK-LAUBAEHRSA-N 1 1 417.619 4.535 50 0 HJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccs1 ZINC000055526920 558881789 /nfs/dbraw/zinc/88/17/89/558881789.db2.gz DMSYPXBHZWZTED-UHFFFAOYSA-N 1 1 411.958 4.976 50 0 HJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575920 558883235 /nfs/dbraw/zinc/88/32/35/558883235.db2.gz ZNKZMFHDUSCMPF-HXUWFJFHSA-N 1 1 419.550 4.961 50 0 HJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575920 558883237 /nfs/dbraw/zinc/88/32/37/558883237.db2.gz ZNKZMFHDUSCMPF-HXUWFJFHSA-N 1 1 419.550 4.961 50 0 HJAAMO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058175724 558909698 /nfs/dbraw/zinc/90/96/98/558909698.db2.gz OFUZKJCDGUJRKA-QFIPXVFZSA-N 1 1 402.538 4.908 50 0 HJAAMO COC[C@@H]1CC[N@@H+](Cc2cc3ccc(C)cc3nc2-c2ccc(OC)c(OC)c2)C1 ZINC000072409931 558977485 /nfs/dbraw/zinc/97/74/85/558977485.db2.gz GLAGFCKNJZSIDY-GOSISDBHSA-N 1 1 406.526 4.696 50 0 HJAAMO CC[C@H]1C[N@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1 ZINC000072420312 558978453 /nfs/dbraw/zinc/97/84/53/558978453.db2.gz RFFIYARYUUYBJD-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1 ZINC000072420312 558978454 /nfs/dbraw/zinc/97/84/54/558978454.db2.gz RFFIYARYUUYBJD-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023181135 559031130 /nfs/dbraw/zinc/03/11/30/559031130.db2.gz NWQBJFCBIOHNOZ-XXBNENTESA-N 1 1 411.615 4.696 50 0 HJAAMO CC1CCN(c2nc3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3s2)CC1 ZINC000005145337 559252478 /nfs/dbraw/zinc/25/24/78/559252478.db2.gz PQTJVIHXAUJRDR-UHFFFAOYSA-N 1 1 414.619 4.527 50 0 HJAAMO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000011914572 559267571 /nfs/dbraw/zinc/26/75/71/559267571.db2.gz YVQQGOZMCHMKBC-NRFANRHFSA-N 1 1 400.950 4.679 50 0 HJAAMO O=C(C[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000226761152 559273982 /nfs/dbraw/zinc/27/39/82/559273982.db2.gz IWTRCLAAJCNBHS-HXUWFJFHSA-N 1 1 420.534 4.613 50 0 HJAAMO CC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000105050286 560860794 /nfs/dbraw/zinc/86/07/94/560860794.db2.gz GFEIWMIZKVDXPZ-ISKFKSNPSA-N 1 1 414.540 4.993 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000048237232 568433057 /nfs/dbraw/zinc/43/30/57/568433057.db2.gz WYYRXKLLJIFSEY-AWEZNQCLSA-N 1 1 407.917 4.684 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3c[nH]c4ccccc43)cc2)nc(N2CCCC2)[nH+]1 ZINC000049028129 568445624 /nfs/dbraw/zinc/44/56/24/568445624.db2.gz QDJGAYMHWIYFFE-UHFFFAOYSA-N 1 1 412.497 4.862 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 ZINC000049403388 568448377 /nfs/dbraw/zinc/44/83/77/568448377.db2.gz QPKYYMQWCPBVFN-UHFFFAOYSA-N 1 1 422.504 4.619 50 0 HJAAMO Cc1ccc(CN2CCSc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc32)cc1 ZINC000020355103 568599675 /nfs/dbraw/zinc/59/96/75/568599675.db2.gz OIXOKOHSJIOSFC-HXUWFJFHSA-N 1 1 423.626 4.712 50 0 HJAAMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1cccs1)n1cccc1 ZINC000225410724 568635195 /nfs/dbraw/zinc/63/51/95/568635195.db2.gz SJTIFQJXXHCDHT-DHIUTWEWSA-N 1 1 421.610 4.900 50 0 HJAAMO COc1ccccc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000096183768 568703060 /nfs/dbraw/zinc/70/30/60/568703060.db2.gz QNSBKAKYRHZJFS-SANMLTNESA-N 1 1 414.549 4.859 50 0 HJAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000015144223 568812787 /nfs/dbraw/zinc/81/27/87/568812787.db2.gz UGAGJRNDRZJARZ-ZDUSSCGKSA-N 1 1 412.864 4.717 50 0 HJAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000015144223 568812788 /nfs/dbraw/zinc/81/27/88/568812788.db2.gz UGAGJRNDRZJARZ-ZDUSSCGKSA-N 1 1 412.864 4.717 50 0 HJAAMO Cc1ccc(-n2ccn(C[NH+]3CCC(c4nnc5ccccn54)CC3)c2=S)c(C)c1 ZINC000012544224 568849433 /nfs/dbraw/zinc/84/94/33/568849433.db2.gz PTMLESCBRVOBMF-UHFFFAOYSA-N 1 1 418.570 4.505 50 0 HJAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(CO)[C@H]12 ZINC000299804270 568876913 /nfs/dbraw/zinc/87/69/13/568876913.db2.gz NMFWDNZLNHRNAT-FZLOIDHZSA-N 1 1 413.646 4.627 50 0 HJAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000003445251 568904490 /nfs/dbraw/zinc/90/44/90/568904490.db2.gz RXWJRADLNABFMW-UHFFFAOYSA-N 1 1 409.530 4.541 50 0 HJAAMO COc1ccc(NC(=S)NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1Cl ZINC000003589070 568918016 /nfs/dbraw/zinc/91/80/16/568918016.db2.gz HACPGQGICGCOGG-JKSUJKDBSA-N 1 1 403.979 4.718 50 0 HJAAMO O=C(C[NH2+]Cc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000058444895 568919434 /nfs/dbraw/zinc/91/94/34/568919434.db2.gz UYZGUBACEIPAFO-UHFFFAOYSA-N 1 1 413.304 4.953 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)c1 ZINC000059415268 568953070 /nfs/dbraw/zinc/95/30/70/568953070.db2.gz SAOYGWVUOAMNQH-XOEFNYDHSA-N 1 1 422.613 4.820 50 0 biogenic HJAAMO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1Cl ZINC000012903656 569021051 /nfs/dbraw/zinc/02/10/51/569021051.db2.gz KVQVXGCNYBCKGV-AWEZNQCLSA-N 1 1 418.328 4.514 50 0 HJAAMO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1Cl ZINC000012903656 569021052 /nfs/dbraw/zinc/02/10/52/569021052.db2.gz KVQVXGCNYBCKGV-AWEZNQCLSA-N 1 1 418.328 4.514 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012935161 569026309 /nfs/dbraw/zinc/02/63/09/569026309.db2.gz VMSUCBISCJPMNL-SFHVURJKSA-N 1 1 420.431 4.642 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012935161 569026310 /nfs/dbraw/zinc/02/63/10/569026310.db2.gz VMSUCBISCJPMNL-SFHVURJKSA-N 1 1 420.431 4.642 50 0 HJAAMO CCn1c2ccccc2nc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000091575978 569053302 /nfs/dbraw/zinc/05/33/02/569053302.db2.gz IDRXOYLEWCRVEC-HSZRJFAPSA-N 1 1 424.633 4.692 50 0 HJAAMO CCn1c2ccccc2nc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000091575978 569053303 /nfs/dbraw/zinc/05/33/03/569053303.db2.gz IDRXOYLEWCRVEC-HSZRJFAPSA-N 1 1 424.633 4.692 50 0 HJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c2ccccc2)cc1 ZINC000239432839 569054332 /nfs/dbraw/zinc/05/43/32/569054332.db2.gz WPBDKNVLMQCNAY-URXFXBBRSA-N 1 1 406.551 4.799 50 0 HJAAMO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)ccc1OCc1ccccc1 ZINC000001226101 569060296 /nfs/dbraw/zinc/06/02/96/569060296.db2.gz LPSVLNYJYKVSKK-UHFFFAOYSA-N 1 1 419.521 4.850 50 0 biogenic HJAAMO COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)ccc1OCc1ccccc1 ZINC000001226101 569060297 /nfs/dbraw/zinc/06/02/97/569060297.db2.gz LPSVLNYJYKVSKK-UHFFFAOYSA-N 1 1 419.521 4.850 50 0 biogenic HJAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518843 569062661 /nfs/dbraw/zinc/06/26/61/569062661.db2.gz WAOFAAFIOZFKTM-OAHLLOKOSA-N 1 1 409.917 4.946 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518843 569062662 /nfs/dbraw/zinc/06/26/62/569062662.db2.gz WAOFAAFIOZFKTM-OAHLLOKOSA-N 1 1 409.917 4.946 50 0 HJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031584 569081191 /nfs/dbraw/zinc/08/11/91/569081191.db2.gz BSVRZRSUSURWDT-HXUWFJFHSA-N 1 1 405.922 4.983 50 0 HJAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065582 569085834 /nfs/dbraw/zinc/08/58/34/569085834.db2.gz HTNGFDXIVIFVGP-IBGZPJMESA-N 1 1 421.541 4.660 50 0 HJAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065582 569085835 /nfs/dbraw/zinc/08/58/35/569085835.db2.gz HTNGFDXIVIFVGP-IBGZPJMESA-N 1 1 421.541 4.660 50 0 HJAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670412 569086714 /nfs/dbraw/zinc/08/67/14/569086714.db2.gz OIHFFRCFKVWSAP-OAHLLOKOSA-N 1 1 410.901 4.784 50 0 HJAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670412 569086715 /nfs/dbraw/zinc/08/67/15/569086715.db2.gz OIHFFRCFKVWSAP-OAHLLOKOSA-N 1 1 410.901 4.784 50 0 HJAAMO CC[C@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695776 569091719 /nfs/dbraw/zinc/09/17/19/569091719.db2.gz XNHQQQZADZZEOR-DHLKQENFSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036102935 569092214 /nfs/dbraw/zinc/09/22/14/569092214.db2.gz MJVKAFBATXGMKB-HSZRJFAPSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036102935 569092215 /nfs/dbraw/zinc/09/22/15/569092215.db2.gz MJVKAFBATXGMKB-HSZRJFAPSA-N 1 1 409.501 4.585 50 0 HJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780521 569119695 /nfs/dbraw/zinc/11/96/95/569119695.db2.gz PEBPJQOMUTWNHZ-UHFFFAOYSA-N 1 1 412.603 4.946 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302015 569128647 /nfs/dbraw/zinc/12/86/47/569128647.db2.gz ATKIGYSKZXRJSC-NRFANRHFSA-N 1 1 423.557 4.963 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)CC ZINC000036302190 569128654 /nfs/dbraw/zinc/12/86/54/569128654.db2.gz JNLLBWRKAQCARS-OAQYLSRUSA-N 1 1 423.557 4.965 50 0 HJAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](C)O)c(C)nn2-c2ccccc2)cc1 ZINC000036302390 569128662 /nfs/dbraw/zinc/12/86/62/569128662.db2.gz JQOHHKXHXAUGMD-IBGZPJMESA-N 1 1 423.557 4.820 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](C)O ZINC000036316431 569135240 /nfs/dbraw/zinc/13/52/40/569135240.db2.gz QYTYNPYDLIEVEP-IBGZPJMESA-N 1 1 423.557 4.828 50 0 HJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341509 569141984 /nfs/dbraw/zinc/14/19/84/569141984.db2.gz AYRDGUMIKVRLOZ-DEOSSOPVSA-N 1 1 423.532 4.777 50 0 HJAAMO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343694 569142347 /nfs/dbraw/zinc/14/23/47/569142347.db2.gz IDYRAVKSGSDWGY-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343694 569142348 /nfs/dbraw/zinc/14/23/48/569142348.db2.gz IDYRAVKSGSDWGY-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@@H]2C)[C@@H](c2ccc(C)cc2)C1 ZINC000036343647 569142350 /nfs/dbraw/zinc/14/23/50/569142350.db2.gz KSSOMGAEUWGTST-WMZHIEFXSA-N 1 1 405.542 4.556 50 0 HJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000006857640 569155691 /nfs/dbraw/zinc/15/56/91/569155691.db2.gz SXXWAQLEOGYOSO-NRFANRHFSA-N 1 1 405.523 4.744 50 0 HJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000006857640 569155692 /nfs/dbraw/zinc/15/56/92/569155692.db2.gz SXXWAQLEOGYOSO-NRFANRHFSA-N 1 1 405.523 4.744 50 0 HJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 ZINC000013595637 569256544 /nfs/dbraw/zinc/25/65/44/569256544.db2.gz RENMUIDKFUNGCO-UHFFFAOYSA-N 1 1 424.551 4.952 50 0 HJAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 ZINC000013595637 569256545 /nfs/dbraw/zinc/25/65/45/569256545.db2.gz RENMUIDKFUNGCO-UHFFFAOYSA-N 1 1 424.551 4.952 50 0 HJAAMO FC(F)(F)c1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834967 569266760 /nfs/dbraw/zinc/26/67/60/569266760.db2.gz JGASLBUECYECJQ-KRWDZBQOSA-N 1 1 401.432 4.567 50 0 HJAAMO FC(F)(F)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834967 569266761 /nfs/dbraw/zinc/26/67/61/569266761.db2.gz JGASLBUECYECJQ-KRWDZBQOSA-N 1 1 401.432 4.567 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000638034 569281767 /nfs/dbraw/zinc/28/17/67/569281767.db2.gz FDQINJWNCGYVAS-ZEQRLZLVSA-N 1 1 410.452 4.938 50 0 HJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002250174 569324628 /nfs/dbraw/zinc/32/46/28/569324628.db2.gz IRJGTLBCRVKZEP-RPBOFIJWSA-N 1 1 422.488 4.808 50 0 HJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccccc2)C3)c1OC ZINC000055282362 569398527 /nfs/dbraw/zinc/39/85/27/569398527.db2.gz YISSHKVPWLUOGJ-UHFFFAOYSA-N 1 1 405.494 4.774 50 0 HJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccccc2)C3)c1OC ZINC000055282362 569398529 /nfs/dbraw/zinc/39/85/29/569398529.db2.gz YISSHKVPWLUOGJ-UHFFFAOYSA-N 1 1 405.494 4.774 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccc(Br)cc2s1 ZINC000079192027 569429358 /nfs/dbraw/zinc/42/93/58/569429358.db2.gz WBBCPQFJUAHCHP-GOEBONIOSA-N 1 1 407.377 4.658 50 0 biogenic HJAAMO CCCOc1ccc2ccccc2c1C[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000028721004 571037652 /nfs/dbraw/zinc/03/76/52/571037652.db2.gz VSGXWMUVQPERFG-UHFFFAOYSA-N 1 1 421.928 4.922 50 0 HJAAMO Cc1cc(Nc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000008870914 571130257 /nfs/dbraw/zinc/13/02/57/571130257.db2.gz DYZCTSYQZSYCPH-UHFFFAOYSA-N 1 1 423.460 4.992 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)cc2C)C1 ZINC000009151122 571230419 /nfs/dbraw/zinc/23/04/19/571230419.db2.gz NTNVOFTUYHGYCU-UHFFFAOYSA-N 1 1 408.571 4.855 50 0 HJAAMO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1C ZINC000009250754 571241966 /nfs/dbraw/zinc/24/19/66/571241966.db2.gz CROQLIKOHOFRQP-QFIPXVFZSA-N 1 1 400.950 4.679 50 0 HJAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2Cl)CC1 ZINC000004739339 132286545 /nfs/dbraw/zinc/28/65/45/132286545.db2.gz FDEYHSMBRPOMJZ-UHFFFAOYSA-N 1 1 423.944 4.653 50 0 HJAAMO CC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000032907280 518368357 /nfs/dbraw/zinc/36/83/57/518368357.db2.gz JXCUNEWRBAEONF-UHFFFAOYSA-N 1 1 419.447 4.648 50 0 HJAAMO CC[N@@H+](CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)Cc1ccccc1 ZINC000020575100 521085505 /nfs/dbraw/zinc/08/55/05/521085505.db2.gz OQPKOMJNLFJQQQ-UHFFFAOYSA-N 1 1 407.905 4.872 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023309869 521657275 /nfs/dbraw/zinc/65/72/75/521657275.db2.gz PMKZWUACUJFSDC-FQEVSTJZSA-N 1 1 408.933 4.611 50 0 HJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023309869 521657279 /nfs/dbraw/zinc/65/72/79/521657279.db2.gz PMKZWUACUJFSDC-FQEVSTJZSA-N 1 1 408.933 4.611 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023309869 521657282 /nfs/dbraw/zinc/65/72/82/521657282.db2.gz PMKZWUACUJFSDC-FQEVSTJZSA-N 1 1 408.933 4.611 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1F ZINC000042881715 522374672 /nfs/dbraw/zinc/37/46/72/522374672.db2.gz NQLQYSBVONGGAR-OAHLLOKOSA-N 1 1 401.432 4.882 50 0 HJAAMO C[C@@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288524 525256764 /nfs/dbraw/zinc/25/67/64/525256764.db2.gz JFUMCMXUZNHAFC-XXBNENTESA-N 1 1 421.566 4.789 50 0 HJAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000032622923 526577649 /nfs/dbraw/zinc/57/76/49/526577649.db2.gz LPZUHHSKODBMAE-QGZVFWFLSA-N 1 1 401.919 4.623 50 0 HJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635843 557029400 /nfs/dbraw/zinc/02/94/00/557029400.db2.gz TUPLZYHCEXMIBU-DQEYMECFSA-N 1 1 422.488 4.808 50 0 HJAAMO O=C(CCC[N@H+]1CCc2ccccc2[C@](O)(c2ccccc2)C1)c1ccc(F)cc1 ZINC000000890015 557112099 /nfs/dbraw/zinc/11/20/99/557112099.db2.gz JWZRVYDLYIOJEI-AREMUKBSSA-N 1 1 403.497 4.583 50 0 HJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002542270 557355432 /nfs/dbraw/zinc/35/54/32/557355432.db2.gz RWQOEKGAOSICQI-JWQCQUIFSA-N 1 1 422.488 4.808 50 0 HJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671554 557363002 /nfs/dbraw/zinc/36/30/02/557363002.db2.gz MIZVBTIPDSXVGS-IBVKSMDESA-N 1 1 414.549 4.738 50 0 HJAAMO Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716625 557430067 /nfs/dbraw/zinc/43/00/67/557430067.db2.gz YGPVRDVNBSBAIV-LEWJYISDSA-N 1 1 424.491 4.788 50 0 HJAAMO CC(C)C[N@H+]1CCc2nc(N3CCC(C)CC3)nc(Oc3ccc(F)cc3F)c2C1 ZINC000034755587 557458116 /nfs/dbraw/zinc/45/81/16/557458116.db2.gz AATOBNGJWHNSJW-UHFFFAOYSA-N 1 1 416.516 4.798 50 0 HJAAMO COc1ccc([C@@H](CNCc2csc(-c3ccc(Cl)cc3)n2)[NH+](C)C)cc1 ZINC000022816520 557829439 /nfs/dbraw/zinc/82/94/39/557829439.db2.gz LMXSAPUBLJNPOH-HXUWFJFHSA-N 1 1 401.963 4.865 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000011753369 558272243 /nfs/dbraw/zinc/27/22/43/558272243.db2.gz CKZYTRBOPXJVBW-QFIPXVFZSA-N 1 1 405.542 4.777 50 0 HJAAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000011841154 558286983 /nfs/dbraw/zinc/28/69/83/558286983.db2.gz TVNMSSLSKPYRBT-IBGZPJMESA-N 1 1 407.539 4.669 50 0 HJAAMO CC(=O)Nc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)c1 ZINC000011842814 558287922 /nfs/dbraw/zinc/28/79/22/558287922.db2.gz DLUZPFAMMFRPET-RUZDIDTESA-N 1 1 411.590 4.544 50 0 HJAAMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1OC ZINC000011873016 558290919 /nfs/dbraw/zinc/29/09/19/558290919.db2.gz GBIHUJHOJDALRI-ZDUSSCGKSA-N 1 1 403.885 4.841 50 0 HJAAMO O=C(COc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019832208 558291875 /nfs/dbraw/zinc/29/18/75/558291875.db2.gz GNNNHQYGDUTSQN-UHFFFAOYSA-N 1 1 420.940 4.653 50 0 HJAAMO Cc1cccc(SC2CC[NH+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000011879591 558294180 /nfs/dbraw/zinc/29/41/80/558294180.db2.gz ZCNORMZKGABKJS-UHFFFAOYSA-N 1 1 409.511 4.530 50 0 HJAAMO COCc1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)ccc1OC ZINC000011957567 558303866 /nfs/dbraw/zinc/30/38/66/558303866.db2.gz UTDQFMKYPUNXMO-GOSISDBHSA-N 1 1 414.521 4.612 50 0 HJAAMO S=C(NCCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019956862 558314986 /nfs/dbraw/zinc/31/49/86/558314986.db2.gz SUKWJNKOGMNONN-UHFFFAOYSA-N 1 1 415.606 4.511 50 0 HJAAMO COc1ccc(/C=C/C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCC3CCCCC3)C2)cc1 ZINC000012167991 558342563 /nfs/dbraw/zinc/34/25/63/558342563.db2.gz DINLKPJUOBJDNO-QKTHRAHBSA-N 1 1 410.602 4.992 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1OC ZINC000012199752 558350922 /nfs/dbraw/zinc/35/09/22/558350922.db2.gz ZWHSCZUSQVQZOJ-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1OC ZINC000012199752 558350924 /nfs/dbraw/zinc/35/09/24/558350924.db2.gz ZWHSCZUSQVQZOJ-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c1 ZINC000012298158 558368212 /nfs/dbraw/zinc/36/82/12/558368212.db2.gz SXXQKDCXEMIHHA-QFIPXVFZSA-N 1 1 402.494 5.000 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c1 ZINC000012300496 558370404 /nfs/dbraw/zinc/37/04/04/558370404.db2.gz UWUNHZISZLSSSP-AREMUKBSSA-N 1 1 403.570 4.901 50 0 HJAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000012304992 558374165 /nfs/dbraw/zinc/37/41/65/558374165.db2.gz QSOKNQGUARFZGB-QHCPKHFHSA-N 1 1 413.924 4.686 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccn4)C3)cc2)c1 ZINC000012305687 558374799 /nfs/dbraw/zinc/37/47/99/558374799.db2.gz WCWHTZGVLCPBEI-NRFANRHFSA-N 1 1 401.510 4.608 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1)Nc1ccccc1F ZINC000012306735 558375660 /nfs/dbraw/zinc/37/56/60/558375660.db2.gz AJXFWUWGIBELOH-LJQANCHMSA-N 1 1 406.505 4.642 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc(-c2ccccc2)no1 ZINC000012385636 558394476 /nfs/dbraw/zinc/39/44/76/558394476.db2.gz WZWZJEGZHXCSNU-FQEVSTJZSA-N 1 1 421.516 4.507 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431583 558406142 /nfs/dbraw/zinc/40/61/42/558406142.db2.gz CSRBQAUBBXRRDM-QGZVFWFLSA-N 1 1 411.527 4.559 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431583 558406145 /nfs/dbraw/zinc/40/61/45/558406145.db2.gz CSRBQAUBBXRRDM-QGZVFWFLSA-N 1 1 411.527 4.559 50 0 HJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000012439590 558410989 /nfs/dbraw/zinc/41/09/89/558410989.db2.gz ZEKLKLLHCAWHRD-XMMPIXPASA-N 1 1 401.510 4.910 50 0 HJAAMO CN(C(=O)CCc1nc2ccccc2s1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012463651 558419999 /nfs/dbraw/zinc/41/99/99/558419999.db2.gz PFKHNMKQTNDGFJ-NRFANRHFSA-N 1 1 421.610 4.785 50 0 HJAAMO COc1ccccc1[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+]1CCCC1 ZINC000022609231 558501146 /nfs/dbraw/zinc/50/11/46/558501146.db2.gz MHDYNMVFVXDCKF-HXUWFJFHSA-N 1 1 421.566 4.694 50 0 HJAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000013212981 558525952 /nfs/dbraw/zinc/52/59/52/558525952.db2.gz RFOPSMHGICGNHZ-FGZHOGPDSA-N 1 1 413.868 4.539 50 0 HJAAMO Cc1ccc([C@H]([NH2+]Cc2nc3ccc(Cl)cc3n2CCO)c2cccs2)cc1 ZINC000025139239 558632452 /nfs/dbraw/zinc/63/24/52/558632452.db2.gz OPDVMGASKZRNRL-QFIPXVFZSA-N 1 1 411.958 4.931 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000014974736 558688805 /nfs/dbraw/zinc/68/88/05/558688805.db2.gz OVXHBXGOWUYIGV-SFHVURJKSA-N 1 1 407.539 4.669 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000014974736 558688809 /nfs/dbraw/zinc/68/88/09/558688809.db2.gz OVXHBXGOWUYIGV-SFHVURJKSA-N 1 1 407.539 4.669 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)o1 ZINC000015072172 558713483 /nfs/dbraw/zinc/71/34/83/558713483.db2.gz FHXWXKXTXSXOJB-INIZCTEOSA-N 1 1 420.937 4.719 50 0 HJAAMO NC(=O)c1ccc(C[N@H+](Cc2cc(-c3ccc(Cl)cc3Cl)no2)C2CC2)cc1 ZINC000029718823 558719177 /nfs/dbraw/zinc/71/91/77/558719177.db2.gz IFVLBPLCZJQFIZ-UHFFFAOYSA-N 1 1 416.308 4.912 50 0 HJAAMO NC(=O)c1ccc(C[N@@H+](Cc2cc(-c3ccc(Cl)cc3Cl)no2)C2CC2)cc1 ZINC000029718823 558719182 /nfs/dbraw/zinc/71/91/82/558719182.db2.gz IFVLBPLCZJQFIZ-UHFFFAOYSA-N 1 1 416.308 4.912 50 0 HJAAMO COc1ccc(Br)cc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000244778753 558784707 /nfs/dbraw/zinc/78/47/07/558784707.db2.gz PVWSCJXHSRLQEG-TZIWHRDSSA-N 1 1 407.396 4.687 50 0 HJAAMO COc1cccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH+]c3n2[C@@H](C)CCC3)c1 ZINC000034919270 558787576 /nfs/dbraw/zinc/78/75/76/558787576.db2.gz AUUFLAAZDKVEHW-PGRDOPGGSA-N 1 1 403.526 4.627 50 0 HJAAMO CCOC(=O)Cn1c(C)c(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c2ccccc21 ZINC000035453908 558792183 /nfs/dbraw/zinc/79/21/83/558792183.db2.gz YQEPXCRTKZAUMS-JOCHJYFZSA-N 1 1 409.530 4.961 50 0 HJAAMO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc21 ZINC000032986635 558806670 /nfs/dbraw/zinc/80/66/70/558806670.db2.gz AUXLTDRODWTZFB-UHFFFAOYSA-N 1 1 423.944 4.732 50 0 HJAAMO COc1ccc(Br)cc1CN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039408729 558820900 /nfs/dbraw/zinc/82/09/00/558820900.db2.gz PVWSCJXHSRLQEG-CTNGQTDRSA-N 1 1 407.396 4.687 50 0 HJAAMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1OC ZINC000019220923 558851763 /nfs/dbraw/zinc/85/17/63/558851763.db2.gz UGFOCNWAHMLJFF-FQEVSTJZSA-N 1 1 422.525 4.848 50 0 HJAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1OC ZINC000019220923 558851766 /nfs/dbraw/zinc/85/17/66/558851766.db2.gz UGFOCNWAHMLJFF-FQEVSTJZSA-N 1 1 422.525 4.848 50 0 HJAAMO O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004610901 558853903 /nfs/dbraw/zinc/85/39/03/558853903.db2.gz VJLXBASUDGHACX-LLPZWECASA-N 1 1 418.537 4.760 50 0 HJAAMO CC(C)CC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000004686280 558895563 /nfs/dbraw/zinc/89/55/63/558895563.db2.gz QUINWZIADAJJHG-UHFFFAOYSA-N 1 1 406.636 4.865 50 0 HJAAMO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](Cc4ccncc4)CC3)c2c1C ZINC000058171210 558908142 /nfs/dbraw/zinc/90/81/42/558908142.db2.gz SCDJFFKAALFQKZ-UHFFFAOYSA-N 1 1 421.595 4.754 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1F ZINC000058357862 558921754 /nfs/dbraw/zinc/92/17/54/558921754.db2.gz QDZCONZRTYIWLE-UHFFFAOYSA-N 1 1 400.816 4.524 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)c1C ZINC000065501947 558978189 /nfs/dbraw/zinc/97/81/89/558978189.db2.gz PQYFOBSPTGNGLE-HSZRJFAPSA-N 1 1 402.542 4.774 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000077345036 559002039 /nfs/dbraw/zinc/00/20/39/559002039.db2.gz HDDMQCPAMIDLTR-NRFANRHFSA-N 1 1 419.550 4.863 50 0 HJAAMO CCc1[nH+]ccn1CCC(=O)NCc1ccc2[nH]c(-c3ccc(F)cc3)c(C)c2c1 ZINC000082125972 559039858 /nfs/dbraw/zinc/03/98/58/559039858.db2.gz XJGMJQRRLKZDBG-UHFFFAOYSA-N 1 1 404.489 4.748 50 0 HJAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004747721 559046085 /nfs/dbraw/zinc/04/60/85/559046085.db2.gz NXBHXJUJLANLDR-HOTGVXAUSA-N 1 1 400.544 4.508 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004764158 559054424 /nfs/dbraw/zinc/05/44/24/559054424.db2.gz WSSVPDPEAKAKMS-NRFANRHFSA-N 1 1 406.954 4.964 50 0 HJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000005044233 559236406 /nfs/dbraw/zinc/23/64/06/559236406.db2.gz OWSVIBFCPSXIAH-SFHVURJKSA-N 1 1 415.965 4.964 50 0 HJAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000005055775 559237680 /nfs/dbraw/zinc/23/76/80/559237680.db2.gz BBWWBWKPNLGNSX-HXUWFJFHSA-N 1 1 421.516 4.626 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@H]2C)c1 ZINC000248121600 559263840 /nfs/dbraw/zinc/26/38/40/559263840.db2.gz SAOYGWVUOAMNQH-LFQLFUDDSA-N 1 1 422.613 4.820 50 0 HJAAMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032322 568424605 /nfs/dbraw/zinc/42/46/05/568424605.db2.gz PTGZVBUSCPYSKO-UHFFFAOYSA-N 1 1 410.587 4.919 50 0 HJAAMO C[N@H+]1CCCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000008178091 568493432 /nfs/dbraw/zinc/49/34/32/568493432.db2.gz UTGYKCJHVIRHKW-UHFFFAOYSA-N 1 1 410.612 4.614 50 0 HJAAMO C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288526 568597921 /nfs/dbraw/zinc/59/79/21/568597921.db2.gz JFUMCMXUZNHAFC-CVDCTZTESA-N 1 1 421.566 4.789 50 0 HJAAMO C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288458 568597994 /nfs/dbraw/zinc/59/79/94/568597994.db2.gz IYGIPWWXXZHXFW-WZONZLPQSA-N 1 1 423.557 4.569 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000020927437 568651458 /nfs/dbraw/zinc/65/14/58/568651458.db2.gz BBSLKRFVUGRXQS-UHFFFAOYSA-N 1 1 414.962 4.892 50 0 HJAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000095960023 568669892 /nfs/dbraw/zinc/66/98/92/568669892.db2.gz DQPBNQAYCKPZGS-YRVHBCJASA-N 1 1 421.651 4.756 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2C(C)C)CC1 ZINC000096299833 568723116 /nfs/dbraw/zinc/72/31/16/568723116.db2.gz YSNOSAYEUSCVHN-UHFFFAOYSA-N 1 1 402.970 4.550 50 0 HJAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000000937110 568751888 /nfs/dbraw/zinc/75/18/88/568751888.db2.gz MWLBRKMFJPTGRP-UHFFFAOYSA-N 1 1 400.544 4.715 50 0 HJAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000057315474 568826833 /nfs/dbraw/zinc/82/68/33/568826833.db2.gz GRQDNAIPRQVPEF-DEOSSOPVSA-N 1 1 406.551 4.872 50 0 HJAAMO CSc1ccc(C[N@@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000299770787 568874151 /nfs/dbraw/zinc/87/41/51/568874151.db2.gz RIUPDAGUHNAUBB-UHFFFAOYSA-N 1 1 408.489 4.662 50 0 HJAAMO C[N@H+](Cc1cccc(F)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003431382 568901822 /nfs/dbraw/zinc/90/18/22/568901822.db2.gz PACDZHLXKMTNLL-QHCPKHFHSA-N 1 1 415.455 4.703 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)CSc1nc(C[NH+](C)C)nc2ccccc21 ZINC000031619182 568928737 /nfs/dbraw/zinc/92/87/37/568928737.db2.gz ZGSCTOLLIKMHPO-UHFFFAOYSA-N 1 1 408.571 4.547 50 0 HJAAMO COc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000004193692 568951026 /nfs/dbraw/zinc/95/10/26/568951026.db2.gz NVVRDTDGHGQFCQ-GOSISDBHSA-N 1 1 401.576 4.609 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310332 568988558 /nfs/dbraw/zinc/98/85/58/568988558.db2.gz BOVNIOLDXOTXHD-OAQYLSRUSA-N 1 1 408.542 4.748 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310332 568988559 /nfs/dbraw/zinc/98/85/59/568988559.db2.gz BOVNIOLDXOTXHD-OAQYLSRUSA-N 1 1 408.542 4.748 50 0 HJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000015824985 569011358 /nfs/dbraw/zinc/01/13/58/569011358.db2.gz NZDHCLPUTRNHOT-UHFFFAOYSA-N 1 1 422.920 4.536 50 0 HJAAMO COc1cc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000012942283 569028700 /nfs/dbraw/zinc/02/87/00/569028700.db2.gz CNQUJIXVSRHLOY-BETUJISGSA-N 1 1 423.966 4.544 50 0 HJAAMO COc1cc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000012942283 569028701 /nfs/dbraw/zinc/02/87/01/569028701.db2.gz CNQUJIXVSRHLOY-BETUJISGSA-N 1 1 423.966 4.544 50 0 HJAAMO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000035494275 569040137 /nfs/dbraw/zinc/04/01/37/569040137.db2.gz JRKXZSDHWWDBMI-OPJGWUQDSA-N 1 1 416.908 4.716 50 0 HJAAMO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000035494275 569040138 /nfs/dbraw/zinc/04/01/38/569040138.db2.gz JRKXZSDHWWDBMI-OPJGWUQDSA-N 1 1 416.908 4.716 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2cc3c(cccc3OCc3ccccc3)n2CC(C)C)CC1 ZINC000035927677 569066636 /nfs/dbraw/zinc/06/66/36/569066636.db2.gz FKSLWGXPDCHQSS-UHFFFAOYSA-N 1 1 419.569 4.654 50 0 HJAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069157 569086021 /nfs/dbraw/zinc/08/60/21/569086021.db2.gz XFIRAWKDZKADBA-CQSZACIVSA-N 1 1 409.452 4.632 50 0 HJAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069157 569086022 /nfs/dbraw/zinc/08/60/22/569086022.db2.gz XFIRAWKDZKADBA-CQSZACIVSA-N 1 1 409.452 4.632 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800953 569097554 /nfs/dbraw/zinc/09/75/54/569097554.db2.gz ITXQUVONMIKXFN-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c2-n1cccc1 ZINC000006780520 569119690 /nfs/dbraw/zinc/11/96/90/569119690.db2.gz GHXRHNVOGGYXIP-GOSISDBHSA-N 1 1 410.587 4.698 50 0 HJAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)Cc2ccccc2)C1 ZINC000169677680 569125416 /nfs/dbraw/zinc/12/54/16/569125416.db2.gz HASFMCUKCQLYFI-DQEYMECFSA-N 1 1 414.549 4.594 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000006798916 569126143 /nfs/dbraw/zinc/12/61/43/569126143.db2.gz HKTXQIFAQUOPHV-QGZVFWFLSA-N 1 1 423.582 4.850 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302018 569128713 /nfs/dbraw/zinc/12/87/13/569128713.db2.gz ATKIGYSKZXRJSC-OAQYLSRUSA-N 1 1 423.557 4.963 50 0 HJAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](C)O)c(C)nn2-c2ccccc2)c1 ZINC000036341971 569142199 /nfs/dbraw/zinc/14/21/99/569142199.db2.gz HNGHJXLDXAHWJB-IBGZPJMESA-N 1 1 423.557 4.820 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345483 569143165 /nfs/dbraw/zinc/14/31/65/569143165.db2.gz JVNHJDQHPATQEK-XMMPIXPASA-N 1 1 407.533 4.852 50 0 HJAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000036345282 569143234 /nfs/dbraw/zinc/14/32/34/569143234.db2.gz ZXZVLPPWXGZTGL-WMZHIEFXSA-N 1 1 405.542 4.556 50 0 HJAAMO CSc1ccc(C[N@H+](C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000006948113 569188653 /nfs/dbraw/zinc/18/86/53/569188653.db2.gz FMFWJLCOHDCACN-UHFFFAOYSA-N 1 1 407.564 4.777 50 0 HJAAMO CSc1ccc(C[N@@H+](C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000006948113 569188654 /nfs/dbraw/zinc/18/86/54/569188654.db2.gz FMFWJLCOHDCACN-UHFFFAOYSA-N 1 1 407.564 4.777 50 0 HJAAMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@@H]5C[C@@H]4[C@H]3C[N@H+]2C1 ZINC000252441284 569285669 /nfs/dbraw/zinc/28/56/69/569285669.db2.gz NEMWYOKGHGSVSC-JFAMFGHCSA-N 1 1 415.662 4.563 50 0 HJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000002213509 569308371 /nfs/dbraw/zinc/30/83/71/569308371.db2.gz HAZRINAWSLTYFD-WWPVKYPJSA-N 1 1 401.934 4.923 50 0 HJAAMO CCO[C@H](C)c1nc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]3CCCC[C@@H]32)cs1 ZINC000252671073 569319341 /nfs/dbraw/zinc/31/93/41/569319341.db2.gz MPPZIXAFTCORID-DUWFINSESA-N 1 1 421.651 4.925 50 0 HJAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000013068803 569408419 /nfs/dbraw/zinc/40/84/19/569408419.db2.gz QPQAFGOVRNMEEW-LBPRGKRZSA-N 1 1 411.727 4.709 50 0 HJAAMO CC(=O)Nc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000055253195 569396700 /nfs/dbraw/zinc/39/67/00/569396700.db2.gz IKYPYGRYUBGLRO-SANMLTNESA-N 1 1 405.586 4.566 50 0 HJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(F)c2)c1 ZINC000019731075 569429458 /nfs/dbraw/zinc/42/94/58/569429458.db2.gz OYKRXWVCSISKJI-VWLOTQADSA-N 1 1 407.485 4.999 50 0 HJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(F)c2)c1 ZINC000019731075 569429460 /nfs/dbraw/zinc/42/94/60/569429460.db2.gz OYKRXWVCSISKJI-VWLOTQADSA-N 1 1 407.485 4.999 50 0 HJAAMO CC[C@@H](c1nnc(SCc2ccccc2OC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000039964447 571135194 /nfs/dbraw/zinc/13/51/94/571135194.db2.gz HZEHNDCAWICWBV-IBGZPJMESA-N 1 1 412.559 4.590 50 0 HJAAMO CN1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000040103366 571163955 /nfs/dbraw/zinc/16/39/55/571163955.db2.gz AETPPXIRWVQIAR-RUZDIDTESA-N 1 1 420.601 4.972 50 0 HJAAMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000040103838 571164510 /nfs/dbraw/zinc/16/45/10/571164510.db2.gz DUAWVWQHYQQSEM-NRFANRHFSA-N 1 1 400.954 4.673 50 0 HJAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3s2)CC1 ZINC000009316199 571247554 /nfs/dbraw/zinc/24/75/54/571247554.db2.gz XAWPIFFROZENMC-UHFFFAOYSA-N 1 1 422.337 4.574 50 0 HJAAMO CC1(C)CCc2cc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000004325155 132275464 /nfs/dbraw/zinc/27/54/64/132275464.db2.gz DWUNZSYLCFDBMA-UHFFFAOYSA-N 1 1 405.464 4.526 50 0 HJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2Cl)CC1 ZINC000004678105 132282477 /nfs/dbraw/zinc/28/24/77/132282477.db2.gz JNCZOVRPOYZFBR-UHFFFAOYSA-N 1 1 401.938 4.521 50 0 HJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2Cl)CC1 ZINC000004677686 132282523 /nfs/dbraw/zinc/28/25/23/132282523.db2.gz WZLUFQOZZNXGLR-UHFFFAOYSA-N 1 1 423.944 4.896 50 0 HJAAMO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000004981139 132297673 /nfs/dbraw/zinc/29/76/73/132297673.db2.gz UBBVLHLPGOPQHK-UHFFFAOYSA-N 1 1 406.501 4.736 50 0 HJAAMO Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000012313974 132358326 /nfs/dbraw/zinc/35/83/26/132358326.db2.gz PXJUYWWFFQOXBS-UHFFFAOYSA-N 1 1 409.537 4.769 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)C1 ZINC000020557547 525384282 /nfs/dbraw/zinc/38/42/82/525384282.db2.gz YPWWTSBAPYAYAQ-IYBDPMFKSA-N 1 1 404.645 4.699 50 0 HJAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000032762396 526494158 /nfs/dbraw/zinc/49/41/58/526494158.db2.gz BJWVBUYXNDLOJD-NRFANRHFSA-N 1 1 402.519 4.526 50 0 HJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000000635804 557029469 /nfs/dbraw/zinc/02/94/69/557029469.db2.gz MCAJAZHGTAIUBK-YADHBBJMSA-N 1 1 414.490 4.561 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000006805412 557722763 /nfs/dbraw/zinc/72/27/63/557722763.db2.gz MFDMEIXBPBCSNK-SFHVURJKSA-N 1 1 400.530 4.621 50 0 HJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)o1 ZINC000011784341 558275639 /nfs/dbraw/zinc/27/56/39/558275639.db2.gz GZBKCEZTIHFZNB-NRFANRHFSA-N 1 1 418.522 4.695 50 0 HJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)o1 ZINC000011784341 558275643 /nfs/dbraw/zinc/27/56/43/558275643.db2.gz GZBKCEZTIHFZNB-NRFANRHFSA-N 1 1 418.522 4.695 50 0 HJAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1OC ZINC000011814201 558278577 /nfs/dbraw/zinc/27/85/77/558278577.db2.gz MGAPEMLRADUNBX-QFIPXVFZSA-N 1 1 424.368 4.828 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCc1ccc(F)cc1 ZINC000011840099 558286445 /nfs/dbraw/zinc/28/64/45/558286445.db2.gz DQFWNALALDRNAS-QFIPXVFZSA-N 1 1 414.540 4.701 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1F ZINC000011843505 558288523 /nfs/dbraw/zinc/28/85/23/558288523.db2.gz HBGOZJJQZGBSPC-GOSISDBHSA-N 1 1 422.466 4.871 50 0 HJAAMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1OC ZINC000011873015 558290884 /nfs/dbraw/zinc/29/08/84/558290884.db2.gz GBIHUJHOJDALRI-CYBMUJFWSA-N 1 1 403.885 4.841 50 0 HJAAMO Cc1cc2nc(N3CCC[N@@H+](Cc4ccc5ncccc5c4)CC3)nc(C)c2cc1C ZINC000011983113 558306392 /nfs/dbraw/zinc/30/63/92/558306392.db2.gz ZZUINILWOLXIBE-UHFFFAOYSA-N 1 1 411.553 4.816 50 0 HJAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012057714 558316643 /nfs/dbraw/zinc/31/66/43/558316643.db2.gz MVGJRAKFKLFDAC-SFHVURJKSA-N 1 1 400.519 4.583 50 0 HJAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012074687 558319252 /nfs/dbraw/zinc/31/92/52/558319252.db2.gz FSGCQVLKLXITBF-HSZRJFAPSA-N 1 1 415.555 4.565 50 0 HJAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012074687 558319254 /nfs/dbraw/zinc/31/92/54/558319254.db2.gz FSGCQVLKLXITBF-HSZRJFAPSA-N 1 1 415.555 4.565 50 0 HJAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012201206 558351507 /nfs/dbraw/zinc/35/15/07/558351507.db2.gz HFHNPHMZHOPCMM-FQEVSTJZSA-N 1 1 421.560 4.951 50 0 HJAAMO CCN(Cc1nc2ccccc2n1C)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012205440 558352429 /nfs/dbraw/zinc/35/24/29/558352429.db2.gz HIRNLRJGCZVZRJ-UHFFFAOYSA-N 1 1 404.602 4.658 50 0 HJAAMO C[N@@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000020351101 558356631 /nfs/dbraw/zinc/35/66/31/558356631.db2.gz BQVSECBBYKNYHP-XMMPIXPASA-N 1 1 424.548 4.739 50 0 HJAAMO C[N@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000020351101 558356634 /nfs/dbraw/zinc/35/66/34/558356634.db2.gz BQVSECBBYKNYHP-XMMPIXPASA-N 1 1 424.548 4.739 50 0 HJAAMO Cc1cccn2c(C[N@H+](C)[C@H]3CCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000012299728 558369682 /nfs/dbraw/zinc/36/96/82/558369682.db2.gz YRHBINDZPIYLBV-QFIPXVFZSA-N 1 1 416.569 4.778 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012373806 558391054 /nfs/dbraw/zinc/39/10/54/558391054.db2.gz CMBFXWCRCCSCMT-QFIPXVFZSA-N 1 1 400.519 4.668 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012373806 558391058 /nfs/dbraw/zinc/39/10/58/558391058.db2.gz CMBFXWCRCCSCMT-QFIPXVFZSA-N 1 1 400.519 4.668 50 0 HJAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@@H]1CCc1ccccc1)N1CCCC1 ZINC000012445069 558413550 /nfs/dbraw/zinc/41/35/50/558413550.db2.gz DOFNBLMYXBHVHS-HXUWFJFHSA-N 1 1 422.598 4.619 50 0 HJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805387 558450487 /nfs/dbraw/zinc/45/04/87/558450487.db2.gz QUPUOQUVOKJILD-NRFANRHFSA-N 1 1 409.917 4.952 50 0 HJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000021805450 558450627 /nfs/dbraw/zinc/45/06/27/558450627.db2.gz WSORETWKEXYVDF-KRWDZBQOSA-N 1 1 401.919 4.623 50 0 HJAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022671249 558504247 /nfs/dbraw/zinc/50/42/47/558504247.db2.gz RCQDSMAREXCGSH-IBGZPJMESA-N 1 1 404.558 4.984 50 0 HJAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000013212978 558525968 /nfs/dbraw/zinc/52/59/68/558525968.db2.gz RFOPSMHGICGNHZ-YADHBBJMSA-N 1 1 413.868 4.539 50 0 HJAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000013594198 558546648 /nfs/dbraw/zinc/54/66/48/558546648.db2.gz PFZDEQRNMSOCNQ-AKERNLMBSA-N 1 1 422.569 4.526 50 0 HJAAMO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379345 558555291 /nfs/dbraw/zinc/55/52/91/558555291.db2.gz YMBPUMPWCZYWTJ-UHFFFAOYSA-N 1 1 413.546 4.921 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662586 558606782 /nfs/dbraw/zinc/60/67/82/558606782.db2.gz YQYSVNDBCLPLCT-AWEZNQCLSA-N 1 1 419.403 4.545 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662586 558606783 /nfs/dbraw/zinc/60/67/83/558606783.db2.gz YQYSVNDBCLPLCT-AWEZNQCLSA-N 1 1 419.403 4.545 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000024813242 558613515 /nfs/dbraw/zinc/61/35/15/558613515.db2.gz VWIBRQZDWVVDLL-ZDUSSCGKSA-N 1 1 400.935 4.551 50 0 HJAAMO CCc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)cs2)cc1 ZINC000014255224 558651421 /nfs/dbraw/zinc/65/14/21/558651421.db2.gz RCFIQOTZXXNRCM-UHFFFAOYSA-N 1 1 405.567 4.767 50 0 HJAAMO O=C(CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000025934794 558652516 /nfs/dbraw/zinc/65/25/16/558652516.db2.gz JJISFJGQVIPGMH-UHFFFAOYSA-N 1 1 424.347 4.669 50 0 HJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011011509 558669615 /nfs/dbraw/zinc/66/96/15/558669615.db2.gz FZVSWGKBNCKURQ-LJQANCHMSA-N 1 1 411.509 4.713 50 0 HJAAMO COc1ccc(/C=C/CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680612 /nfs/dbraw/zinc/68/06/12/558680612.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680615 /nfs/dbraw/zinc/68/06/15/558680615.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680618 /nfs/dbraw/zinc/68/06/18/558680618.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680621 /nfs/dbraw/zinc/68/06/21/558680621.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 1 1 408.586 4.604 50 0 HJAAMO Cn1c(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000015063177 558705887 /nfs/dbraw/zinc/70/58/87/558705887.db2.gz RNMWHIHMICACKU-GOSISDBHSA-N 1 1 424.976 4.535 50 0 HJAAMO Cn1c(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000015063177 558705890 /nfs/dbraw/zinc/70/58/90/558705890.db2.gz RNMWHIHMICACKU-GOSISDBHSA-N 1 1 424.976 4.535 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)c1 ZINC000015073642 558714469 /nfs/dbraw/zinc/71/44/69/558714469.db2.gz VZFGJUSYWCKNMF-AREMUKBSSA-N 1 1 419.569 4.737 50 0 HJAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCCC[C@H]2C)CCC3)c1 ZINC000004554481 558722247 /nfs/dbraw/zinc/72/22/47/558722247.db2.gz ZJNGICXZKOIDTB-MRXNPFEDSA-N 1 1 411.571 4.610 50 0 HJAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCCC[C@H]2C)CCC3)c1 ZINC000004554481 558722253 /nfs/dbraw/zinc/72/22/53/558722253.db2.gz ZJNGICXZKOIDTB-MRXNPFEDSA-N 1 1 411.571 4.610 50 0 HJAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310107 558731672 /nfs/dbraw/zinc/73/16/72/558731672.db2.gz OQIMFYMOSACETL-OXQOHEQNSA-N 1 1 414.933 4.516 50 0 HJAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310107 558731674 /nfs/dbraw/zinc/73/16/74/558731674.db2.gz OQIMFYMOSACETL-OXQOHEQNSA-N 1 1 414.933 4.516 50 0 HJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000015358495 558735561 /nfs/dbraw/zinc/73/55/61/558735561.db2.gz AFMMGAYMLJFMHN-LJQANCHMSA-N 1 1 419.319 4.967 50 0 HJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860520 558758370 /nfs/dbraw/zinc/75/83/70/558758370.db2.gz PCXQIKFYCIGNAO-HXUWFJFHSA-N 1 1 422.525 4.514 50 0 HJAAMO Cc1cccc(C[N@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@@H](C)O)c1 ZINC000036249914 558798797 /nfs/dbraw/zinc/79/87/97/558798797.db2.gz IHTJUWVEAJBKDG-HXUWFJFHSA-N 1 1 407.558 4.878 50 0 HJAAMO O=C(/C=C/c1ccccn1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000019228919 558853223 /nfs/dbraw/zinc/85/32/23/558853223.db2.gz TYSYVLZRLZYCPO-YAOQVBECSA-N 1 1 418.585 4.563 50 0 HJAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000055183106 558875263 /nfs/dbraw/zinc/87/52/63/558875263.db2.gz KVPVMFSBNHIPSF-UHFFFAOYSA-N 1 1 405.420 4.745 50 0 HJAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N[C@H](c3cccs3)C(C)(C)C)cc2F)CC1 ZINC000058008267 558894650 /nfs/dbraw/zinc/89/46/50/558894650.db2.gz ZLKRNYZLPTVBME-HXUWFJFHSA-N 1 1 418.582 4.938 50 0 HJAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)cc2F)CC1 ZINC000058008273 558894679 /nfs/dbraw/zinc/89/46/79/558894679.db2.gz ZLKRNYZLPTVBME-FQEVSTJZSA-N 1 1 418.582 4.938 50 0 HJAAMO CC[C@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072422029 558978660 /nfs/dbraw/zinc/97/86/60/558978660.db2.gz FMYSLFCBEWVLMS-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO CC[C@H]1COCC[N@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072422029 558978661 /nfs/dbraw/zinc/97/86/61/558978661.db2.gz FMYSLFCBEWVLMS-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO COC[C@@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000072438444 558981503 /nfs/dbraw/zinc/98/15/03/558981503.db2.gz JMAUTUHHXVGION-QFIPXVFZSA-N 1 1 401.510 4.955 50 0 HJAAMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268826 558993308 /nfs/dbraw/zinc/99/33/08/558993308.db2.gz MAGLTFMDAKXETR-UHFFFAOYSA-N 1 1 419.550 4.762 50 0 HJAAMO C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023181127 559031100 /nfs/dbraw/zinc/03/11/00/559031100.db2.gz NWQBJFCBIOHNOZ-AUSIDOKSSA-N 1 1 411.615 4.696 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004764153 559054509 /nfs/dbraw/zinc/05/45/09/559054509.db2.gz WSSVPDPEAKAKMS-OAQYLSRUSA-N 1 1 406.954 4.964 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000023310714 559114546 /nfs/dbraw/zinc/11/45/46/559114546.db2.gz BWYTVAJRLYVQGQ-AREMUKBSSA-N 1 1 402.513 4.610 50 0 HJAAMO O=C(c1c[nH]nc1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072328629 559176763 /nfs/dbraw/zinc/17/67/63/559176763.db2.gz PBUGBPUWJKAXNM-UHFFFAOYSA-N 1 1 422.532 4.624 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005144747 559252403 /nfs/dbraw/zinc/25/24/03/559252403.db2.gz FTWHBUUMVNMBIN-LJQANCHMSA-N 1 1 414.619 4.671 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)CC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051853 560837039 /nfs/dbraw/zinc/83/70/39/560837039.db2.gz YXVFQXNSKOUGRN-SIBVEZHUSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)CC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051853 560837040 /nfs/dbraw/zinc/83/70/40/560837040.db2.gz YXVFQXNSKOUGRN-SIBVEZHUSA-N 1 1 424.585 4.662 50 0 HJAAMO Cn1c(C[N@H+](C)CCCc2ccccc2)nnc1SCc1ccccc1Cl ZINC000012161318 560890595 /nfs/dbraw/zinc/89/05/95/560890595.db2.gz FKZOEZHLOYKTAZ-UHFFFAOYSA-N 1 1 400.979 4.825 50 0 HJAAMO Cn1c(C[N@@H+](C)CCCc2ccccc2)nnc1SCc1ccccc1Cl ZINC000012161318 560890596 /nfs/dbraw/zinc/89/05/96/560890596.db2.gz FKZOEZHLOYKTAZ-UHFFFAOYSA-N 1 1 400.979 4.825 50 0 HJAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032282 568424764 /nfs/dbraw/zinc/42/47/64/568424764.db2.gz WEBVYJZVYYIWAJ-UHFFFAOYSA-N 1 1 424.957 4.569 50 0 HJAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032282 568424765 /nfs/dbraw/zinc/42/47/65/568424765.db2.gz WEBVYJZVYYIWAJ-UHFFFAOYSA-N 1 1 424.957 4.569 50 0 HJAAMO COc1ccccc1[C@@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)[NH+]1CCCC1 ZINC000029045414 568644172 /nfs/dbraw/zinc/64/41/72/568644172.db2.gz WASGUNZSGMGKPY-LJQANCHMSA-N 1 1 423.582 4.797 50 0 HJAAMO C[N@@H+](CCCNC(=O)C1=Cc2sc3c(c2CS1)CCCC3)C1CCCCC1 ZINC000020931424 568651785 /nfs/dbraw/zinc/65/17/85/568651785.db2.gz ZTXRWTCNFZNDQC-UHFFFAOYSA-N 1 1 404.645 4.985 50 0 HJAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccccc2F)CC1 ZINC000096278190 568716664 /nfs/dbraw/zinc/71/66/64/568716664.db2.gz VRPZVCXJWPEXFQ-GOSISDBHSA-N 1 1 413.924 4.647 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2c(C(C)C)nn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000096299835 568722913 /nfs/dbraw/zinc/72/29/13/568722913.db2.gz CRSVREMXHHJVDC-UHFFFAOYSA-N 1 1 402.970 4.550 50 0 HJAAMO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCCC3)n2)cc1 ZINC000021659406 568735101 /nfs/dbraw/zinc/73/51/01/568735101.db2.gz QHYREVHZIPIXFY-UHFFFAOYSA-N 1 1 422.916 4.507 50 0 HJAAMO O=P1(NCCC[NH+]2CCOCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000025316008 568763560 /nfs/dbraw/zinc/76/35/60/568763560.db2.gz OGHWWBVADMSZSZ-UHFFFAOYSA-N 1 1 410.454 4.604 50 0 HJAAMO COc1ccccc1OCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594104 568763659 /nfs/dbraw/zinc/76/36/59/568763659.db2.gz FXZILDZMYGSTMF-AREMUKBSSA-N 1 1 420.528 4.620 50 0 HJAAMO COc1ccccc1OCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594104 568763661 /nfs/dbraw/zinc/76/36/61/568763661.db2.gz FXZILDZMYGSTMF-AREMUKBSSA-N 1 1 420.528 4.620 50 0 HJAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000025436738 568768918 /nfs/dbraw/zinc/76/89/18/568768918.db2.gz RMAUTKLOKUNFLF-UHFFFAOYSA-N 1 1 407.510 4.800 50 0 HJAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000025436738 568768921 /nfs/dbraw/zinc/76/89/21/568768921.db2.gz RMAUTKLOKUNFLF-UHFFFAOYSA-N 1 1 407.510 4.800 50 0 HJAAMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686843 568778879 /nfs/dbraw/zinc/77/88/79/568778879.db2.gz GMZPDVNXZLDQND-AREMUKBSSA-N 1 1 410.561 4.868 50 0 HJAAMO COc1ccccc1[C@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)[NH+]1CCCC1 ZINC000029045417 568815725 /nfs/dbraw/zinc/81/57/25/568815725.db2.gz WASGUNZSGMGKPY-IBGZPJMESA-N 1 1 423.582 4.797 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000003026011 568841417 /nfs/dbraw/zinc/84/14/17/568841417.db2.gz BHFMFTVTHMWQII-UHFFFAOYSA-N 1 1 410.521 4.549 50 0 HJAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063967 568853200 /nfs/dbraw/zinc/85/32/00/568853200.db2.gz USIMSSFIQQRZSP-JWGURIENSA-N 1 1 423.582 4.624 50 0 HJAAMO COc1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)ccc1OCc1ccncc1 ZINC000030544728 568870353 /nfs/dbraw/zinc/87/03/53/568870353.db2.gz UMJIMTYNMSCTEB-AREMUKBSSA-N 1 1 411.505 4.943 50 0 HJAAMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4F)CC2)n1)CCCCC3 ZINC000058146609 568892191 /nfs/dbraw/zinc/89/21/91/568892191.db2.gz OHXPTGRAZOXHJS-UHFFFAOYSA-N 1 1 410.562 4.730 50 0 HJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058434663 568918782 /nfs/dbraw/zinc/91/87/82/568918782.db2.gz ZDMCHGBQXPSEAK-GBXCKJPGSA-N 1 1 421.585 4.548 50 0 HJAAMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnc(Cl)s2)CC1 ZINC000083864130 568921620 /nfs/dbraw/zinc/92/16/20/568921620.db2.gz CVWJJRJVPGRFGW-UHFFFAOYSA-N 1 1 403.901 4.912 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560069 569044902 /nfs/dbraw/zinc/04/49/02/569044902.db2.gz SDRCJSSGFHVUKY-HSZRJFAPSA-N 1 1 422.548 4.608 50 0 HJAAMO COc1ccccc1[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000239339142 569054206 /nfs/dbraw/zinc/05/42/06/569054206.db2.gz LTBHDKLBZYZJDK-RJXOUNMNSA-N 1 1 401.550 5.583 50 0 HJAAMO COc1ccccc1[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000239339141 569054222 /nfs/dbraw/zinc/05/42/22/569054222.db2.gz LTBHDKLBZYZJDK-QNJZRNLLSA-N 1 1 401.550 5.583 50 0 HJAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000245312539 569055811 /nfs/dbraw/zinc/05/58/11/569055811.db2.gz VRUITDXLWLLLDF-FTBPSBKWSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000245312539 569055812 /nfs/dbraw/zinc/05/58/12/569055812.db2.gz VRUITDXLWLLLDF-FTBPSBKWSA-N 1 1 410.533 4.749 50 0 HJAAMO CC[C@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695778 569091676 /nfs/dbraw/zinc/09/16/76/569091676.db2.gz XNHQQQZADZZEOR-WIOPSUGQSA-N 1 1 424.585 4.662 50 0 HJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036301614 569127979 /nfs/dbraw/zinc/12/79/79/569127979.db2.gz NESBCFRJBHNBBF-QFIPXVFZSA-N 1 1 423.557 4.581 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000036302782 569128318 /nfs/dbraw/zinc/12/83/18/569128318.db2.gz NDJSELZCSQJOES-SFHVURJKSA-N 1 1 421.541 4.581 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000036302782 569128320 /nfs/dbraw/zinc/12/83/20/569128320.db2.gz NDJSELZCSQJOES-SFHVURJKSA-N 1 1 421.541 4.581 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)CC ZINC000036305896 569129581 /nfs/dbraw/zinc/12/95/81/569129581.db2.gz BRMKHORCCGRWRQ-HXUWFJFHSA-N 1 1 423.557 4.871 50 0 HJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036341176 569141837 /nfs/dbraw/zinc/14/18/37/569141837.db2.gz XUJYSMQTSOGYME-QFIPXVFZSA-N 1 1 411.933 4.512 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341043 569141870 /nfs/dbraw/zinc/14/18/70/569141870.db2.gz CTCIDEJLPOQEFG-JOCHJYFZSA-N 1 1 411.933 4.512 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000006937193 569185277 /nfs/dbraw/zinc/18/52/77/569185277.db2.gz RDKYIQXDMXFMCP-BVAGGSTKSA-N 1 1 405.538 4.603 50 0 HJAAMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1C ZINC000065184246 569191355 /nfs/dbraw/zinc/19/13/55/569191355.db2.gz VVAMXIBBOIWTAA-UHFFFAOYSA-N 1 1 424.932 4.825 50 0 HJAAMO CC(=O)N(c1nc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000089633319 569261456 /nfs/dbraw/zinc/26/14/56/569261456.db2.gz UYFWCWJCQVDDDO-HSZRJFAPSA-N 1 1 420.582 4.625 50 0 HJAAMO CC(=O)N(c1nc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000089633319 569261458 /nfs/dbraw/zinc/26/14/58/569261458.db2.gz UYFWCWJCQVDDDO-HSZRJFAPSA-N 1 1 420.582 4.625 50 0 HJAAMO Cc1ccc(C[NH+]2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)cc1 ZINC000037357467 569274832 /nfs/dbraw/zinc/27/48/32/569274832.db2.gz JOQMORUXHRNAAF-UHFFFAOYSA-N 1 1 408.933 4.861 50 0 HJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1Br ZINC000007797894 569311072 /nfs/dbraw/zinc/31/10/72/569311072.db2.gz PPZZAMTYWVDUDI-GOSISDBHSA-N 1 1 407.739 4.669 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)C[C@@H]2C)c1 ZINC000252694488 569320175 /nfs/dbraw/zinc/32/01/75/569320175.db2.gz LIJUVLVUENDGRW-VTXTWCOWSA-N 1 1 422.613 4.964 50 0 biogenic HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](C4CCSCC4)C3)cc2)c1 ZINC000011816381 569363742 /nfs/dbraw/zinc/36/37/42/569363742.db2.gz ZXBVGSCFBUVOJF-FQEVSTJZSA-N 1 1 410.583 4.908 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2F)cc1 ZINC000079026681 569424812 /nfs/dbraw/zinc/42/48/12/569424812.db2.gz LIRZXBIYIQSFMP-GFCCVEGCSA-N 1 1 402.267 4.573 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000079189564 569429190 /nfs/dbraw/zinc/42/91/90/569429190.db2.gz DJDBGLBBTXXVNK-BJKOFHAPSA-N 1 1 401.554 4.684 50 0 biogenic HJAAMO COc1cccc(C[N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000008507560 571062958 /nfs/dbraw/zinc/06/29/58/571062958.db2.gz MJNUYNBAJBHWDK-AHWVRZQESA-N 1 1 405.538 4.603 50 0 HJAAMO COc1cccc(C[N@H+]2C[C@H](C(=O)NCc3ccccc3)CC[C@H]2c2ccccc2)c1 ZINC000245279930 571222467 /nfs/dbraw/zinc/22/24/67/571222467.db2.gz JYHYAVUBKGURFO-RSXGOPAZSA-N 1 1 414.549 4.965 50 0 HJAAMO CCOc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc(-c2ccccc2)c1OC ZINC000070004430 571253527 /nfs/dbraw/zinc/25/35/27/571253527.db2.gz XWAZZVMDFMCIDB-LJQANCHMSA-N 1 1 410.558 4.755 50 0 HJAAMO C[C@H](NC(=O)c1ccc(N2CCC([N@@H+](C)Cc3ccco3)CC2)cc1)c1ccccc1 ZINC000012245243 132357829 /nfs/dbraw/zinc/35/78/29/132357829.db2.gz IBQFOTOMKPFLDQ-FQEVSTJZSA-N 1 1 417.553 4.871 50 0 HJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000000635803 557029502 /nfs/dbraw/zinc/02/95/02/557029502.db2.gz MCAJAZHGTAIUBK-VXKWHMMOSA-N 1 1 414.490 4.561 50 0 HJAAMO CC(C)C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000034681632 557383338 /nfs/dbraw/zinc/38/33/38/557383338.db2.gz GKXOXSOYUQKHLZ-UHFFFAOYSA-N 1 1 408.590 4.800 50 0 HJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccoc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683965 557386868 /nfs/dbraw/zinc/38/68/68/557386868.db2.gz UOCPRHZVVUSOBV-UHFFFAOYSA-N 1 1 424.566 4.756 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)CC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855775 557477328 /nfs/dbraw/zinc/47/73/28/557477328.db2.gz YXVFQXNSKOUGRN-BCHFMIIMSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)CC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855775 557477330 /nfs/dbraw/zinc/47/73/30/557477330.db2.gz YXVFQXNSKOUGRN-BCHFMIIMSA-N 1 1 424.585 4.662 50 0 HJAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000011819205 558282403 /nfs/dbraw/zinc/28/24/03/558282403.db2.gz SXRREOWGRQXFAV-UHFFFAOYSA-N 1 1 403.954 4.575 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820243 558283670 /nfs/dbraw/zinc/28/36/70/558283670.db2.gz NTEVQWHEWJHGLO-INIZCTEOSA-N 1 1 414.962 4.746 50 0 HJAAMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000011839455 558285953 /nfs/dbraw/zinc/28/59/53/558285953.db2.gz WKDXRHSTTJJGBD-IBGZPJMESA-N 1 1 420.532 4.857 50 0 HJAAMO OC[C@@H]1CCCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011879717 558294199 /nfs/dbraw/zinc/29/41/99/558294199.db2.gz LXNPKQCRHBMEFE-QFIPXVFZSA-N 1 1 401.510 4.691 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Nc1ccccc1F ZINC000011958720 558303871 /nfs/dbraw/zinc/30/38/71/558303871.db2.gz IMTXCDOAOULUOT-HXUWFJFHSA-N 1 1 413.537 4.643 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cccc(F)c1 ZINC000011999695 558307869 /nfs/dbraw/zinc/30/78/69/558307869.db2.gz ZMGPFTYJCVHBQL-SFHVURJKSA-N 1 1 422.466 4.871 50 0 HJAAMO O[C@H](CSc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421531 558361872 /nfs/dbraw/zinc/36/18/72/558361872.db2.gz FRBYSIBLYIDZCW-DEOSSOPVSA-N 1 1 418.606 4.547 50 0 HJAAMO C(c1nc2c(s1)CCCC2)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298024 558368028 /nfs/dbraw/zinc/36/80/28/558368028.db2.gz VMUIGPHRNFSGTG-NRFANRHFSA-N 1 1 417.663 4.658 50 0 HJAAMO CCCCc1nc(CN(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c[nH]1 ZINC000012302501 558372108 /nfs/dbraw/zinc/37/21/08/558372108.db2.gz VALXXWRJHMIXPQ-QFIPXVFZSA-N 1 1 412.622 4.538 50 0 HJAAMO CCCCc1ncc(CN(CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000012302501 558372110 /nfs/dbraw/zinc/37/21/10/558372110.db2.gz VALXXWRJHMIXPQ-QFIPXVFZSA-N 1 1 412.622 4.538 50 0 HJAAMO CCCCc1ncc(CN(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000012302501 558372113 /nfs/dbraw/zinc/37/21/13/558372113.db2.gz VALXXWRJHMIXPQ-QFIPXVFZSA-N 1 1 412.622 4.538 50 0 HJAAMO CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012315311 558378667 /nfs/dbraw/zinc/37/86/67/558378667.db2.gz WPCFLEXUFPRHNT-KRWDZBQOSA-N 1 1 418.969 4.504 50 0 HJAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1CO ZINC000012432395 558406721 /nfs/dbraw/zinc/40/67/21/558406721.db2.gz HYMWUKLCZHYRMM-SFHVURJKSA-N 1 1 401.934 4.634 50 0 HJAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)CCc1cn[nH]c1 ZINC000020775482 558411837 /nfs/dbraw/zinc/41/18/37/558411837.db2.gz UTMROGFDOCHYPW-UHFFFAOYSA-N 1 1 407.468 4.524 50 0 HJAAMO O=C(Cc1c(F)cccc1F)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000012453818 558416644 /nfs/dbraw/zinc/41/66/44/558416644.db2.gz WVTFOHQAOYNBKU-HVDCWWCASA-N 1 1 410.508 4.534 50 0 HJAAMO COC(=O)C1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000012581629 558432617 /nfs/dbraw/zinc/43/26/17/558432617.db2.gz DISQTYYOHQFWJE-UHFFFAOYSA-N 1 1 406.482 4.827 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@H]2CCCO)c(F)c1 ZINC000012597174 558438153 /nfs/dbraw/zinc/43/81/53/558438153.db2.gz BMPMYCDPVPJVGR-FQEVSTJZSA-N 1 1 423.532 4.814 50 0 HJAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccc(Br)c1 ZINC000021719981 558446667 /nfs/dbraw/zinc/44/66/67/558446667.db2.gz KEQLFSIDXVGQHF-QGZVFWFLSA-N 1 1 401.308 4.781 50 0 HJAAMO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983174 558494396 /nfs/dbraw/zinc/49/43/96/558494396.db2.gz HIZLLSAJLWWDHR-XMMPIXPASA-N 1 1 420.484 4.662 50 0 HJAAMO CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983174 558494399 /nfs/dbraw/zinc/49/43/99/558494399.db2.gz HIZLLSAJLWWDHR-XMMPIXPASA-N 1 1 420.484 4.662 50 0 HJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+]5CCC[C@@H](C)C5)C4=O)cc3)sc2c1 ZINC000013136678 558521226 /nfs/dbraw/zinc/52/12/26/558521226.db2.gz KZHWHWUVOWMIFU-OXQOHEQNSA-N 1 1 419.550 4.636 50 0 HJAAMO COCc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023955677 558582459 /nfs/dbraw/zinc/58/24/59/558582459.db2.gz XXUUNOISRZQGIJ-UHFFFAOYSA-N 1 1 414.505 4.690 50 0 HJAAMO Cc1ccc(C(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)=C(Cl)Cl)cc1F ZINC000025514697 558642490 /nfs/dbraw/zinc/64/24/90/558642490.db2.gz UMBJZWXQEORHIG-UHFFFAOYSA-N 1 1 422.331 4.765 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000014985788 558692863 /nfs/dbraw/zinc/69/28/63/558692863.db2.gz IGMCZKVDMFRXFZ-OAHLLOKOSA-N 1 1 401.432 4.882 50 0 HJAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000015001433 558697918 /nfs/dbraw/zinc/69/79/18/558697918.db2.gz ARSUKUVINRYDAU-QFIPXVFZSA-N 1 1 414.427 4.577 50 0 HJAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000015001433 558697920 /nfs/dbraw/zinc/69/79/20/558697920.db2.gz ARSUKUVINRYDAU-QFIPXVFZSA-N 1 1 414.427 4.577 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)o1 ZINC000015072174 558713558 /nfs/dbraw/zinc/71/35/58/558713558.db2.gz FHXWXKXTXSXOJB-MRXNPFEDSA-N 1 1 420.937 4.719 50 0 HJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000029487969 558715841 /nfs/dbraw/zinc/71/58/41/558715841.db2.gz BRTFDXWYCOLUQG-QHCPKHFHSA-N 1 1 417.484 4.636 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1csc2c1CCCC2 ZINC000015080771 558718940 /nfs/dbraw/zinc/71/89/40/558718940.db2.gz PYEMRXJNKALSIG-LJQANCHMSA-N 1 1 414.590 4.793 50 0 HJAAMO Cc1cc2occ(CC(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2cc1C(C)C ZINC000029882598 558723341 /nfs/dbraw/zinc/72/33/41/558723341.db2.gz GATWIBZFXNNSMA-UHFFFAOYSA-N 1 1 420.553 4.556 50 0 HJAAMO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(CN2CCCCC2)s1 ZINC000072301597 558751909 /nfs/dbraw/zinc/75/19/09/558751909.db2.gz ZVGWCXBRYOYDOE-UHFFFAOYSA-N 1 1 415.603 4.707 50 0 HJAAMO Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305300 558760208 /nfs/dbraw/zinc/76/02/08/558760208.db2.gz UTNYFCMHJPYVOA-QHCPKHFHSA-N 1 1 423.004 4.847 50 0 HJAAMO CCC[N@H+](CCOc1ccccc1OC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000072308188 558768706 /nfs/dbraw/zinc/76/87/06/558768706.db2.gz HKSIBYUQIJLPHR-UHFFFAOYSA-N 1 1 401.894 4.690 50 0 HJAAMO CCC[N@@H+](CCOc1ccccc1OC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000072308188 558768707 /nfs/dbraw/zinc/76/87/07/558768707.db2.gz HKSIBYUQIJLPHR-UHFFFAOYSA-N 1 1 401.894 4.690 50 0 HJAAMO O=C1C[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000100519185 558782522 /nfs/dbraw/zinc/78/25/22/558782522.db2.gz NJWYFJGZNOVTAE-JOCHJYFZSA-N 1 1 404.897 4.674 50 0 HJAAMO COc1cccc([C@H](CC(=O)NCc2ccccc2)c2c[nH+]c3n2[C@@H](C)CCC3)c1 ZINC000034919264 558787527 /nfs/dbraw/zinc/78/75/27/558787527.db2.gz AUUFLAAZDKVEHW-AVRDEDQJSA-N 1 1 403.526 4.627 50 0 HJAAMO Cc1c([C@H](C)[NH2+]Cc2sc(N3CCCC3)nc2Cl)cnn1-c1cccc(F)c1 ZINC000019227750 558852839 /nfs/dbraw/zinc/85/28/39/558852839.db2.gz HSLXHXWVYSVJSC-ZDUSSCGKSA-N 1 1 419.957 4.881 50 0 HJAAMO Cc1ccsc1CNc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)cc1 ZINC000055369254 558880372 /nfs/dbraw/zinc/88/03/72/558880372.db2.gz IOSMEELBMPJASO-IBGZPJMESA-N 1 1 408.571 4.726 50 0 HJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000058175428 558909185 /nfs/dbraw/zinc/90/91/85/558909185.db2.gz HXZMDUBNCIFUPB-CQSZACIVSA-N 1 1 402.441 4.686 50 0 HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000033059969 558954244 /nfs/dbraw/zinc/95/42/44/558954244.db2.gz ZECAXFBXPCKYJN-INIZCTEOSA-N 1 1 410.587 4.698 50 0 HJAAMO C[N@H+](Cc1ccno1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072458926 558983036 /nfs/dbraw/zinc/98/30/36/558983036.db2.gz PQBYTUXQGADOTA-UHFFFAOYSA-N 1 1 407.857 4.904 50 0 HJAAMO C[N@@H+](Cc1ccno1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072458926 558983039 /nfs/dbraw/zinc/98/30/39/558983039.db2.gz PQBYTUXQGADOTA-UHFFFAOYSA-N 1 1 407.857 4.904 50 0 HJAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000077370111 559002436 /nfs/dbraw/zinc/00/24/36/559002436.db2.gz LKPLFMDSJQEBSZ-HXUWFJFHSA-N 1 1 420.532 4.951 50 0 HJAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000077370111 559002437 /nfs/dbraw/zinc/00/24/37/559002437.db2.gz LKPLFMDSJQEBSZ-HXUWFJFHSA-N 1 1 420.532 4.951 50 0 HJAAMO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004732254 559032761 /nfs/dbraw/zinc/03/27/61/559032761.db2.gz GWIBSXPSFFLKFL-NRFANRHFSA-N 1 1 408.489 4.589 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004732254 559032763 /nfs/dbraw/zinc/03/27/63/559032763.db2.gz GWIBSXPSFFLKFL-NRFANRHFSA-N 1 1 408.489 4.589 50 0 HJAAMO Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000033287200 559043896 /nfs/dbraw/zinc/04/38/96/559043896.db2.gz RXQZYMNZENHITL-UHFFFAOYSA-N 1 1 410.543 4.513 50 0 HJAAMO O=C([C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745297 559046477 /nfs/dbraw/zinc/04/64/77/559046477.db2.gz ODUNYMWXZWSHFD-SANMLTNESA-N 1 1 404.598 4.813 50 0 HJAAMO Cc1cc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)ccc1Br ZINC000033312171 559054681 /nfs/dbraw/zinc/05/46/81/559054681.db2.gz MXLYKAXUXVQLRR-HNNXBMFYSA-N 1 1 408.384 4.733 50 0 HJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)[nH+]1 ZINC000033318343 559055869 /nfs/dbraw/zinc/05/58/69/559055869.db2.gz OWJZPXWWUVQQPU-UHFFFAOYSA-N 1 1 401.514 4.700 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318343 559055871 /nfs/dbraw/zinc/05/58/71/559055871.db2.gz OWJZPXWWUVQQPU-UHFFFAOYSA-N 1 1 401.514 4.700 50 0 HJAAMO O=C(N[C@H]1C[C@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023308955 559114316 /nfs/dbraw/zinc/11/43/16/559114316.db2.gz PVLYVMFLILZMSG-DQEYMECFSA-N 1 1 411.549 4.659 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023320706 559125890 /nfs/dbraw/zinc/12/58/90/559125890.db2.gz HUOWWGLXSGGTQP-DEOSSOPVSA-N 1 1 406.476 4.821 50 0 HJAAMO COc1ccc2cc3cc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)sc3nc2c1 ZINC000004886358 559196997 /nfs/dbraw/zinc/19/69/97/559196997.db2.gz RSCNJCOPNPVXEW-UHFFFAOYSA-N 1 1 419.550 4.710 50 0 HJAAMO C(=C/c1ccccc1)\CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014958483 568485268 /nfs/dbraw/zinc/48/52/68/568485268.db2.gz WTRUHZRRVMSYSB-FLVSMNSFSA-N 1 1 408.615 4.557 50 0 HJAAMO C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288441 568597548 /nfs/dbraw/zinc/59/75/48/568597548.db2.gz PSTXPRDTIYBNSR-WZONZLPQSA-N 1 1 423.557 4.569 50 0 HJAAMO CCCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447095 568608566 /nfs/dbraw/zinc/60/85/66/568608566.db2.gz BTGJJKUUMGGZNO-DHIUTWEWSA-N 1 1 405.941 4.973 50 0 HJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452601 568608998 /nfs/dbraw/zinc/60/89/98/568608998.db2.gz CTARYXNUPHYYTI-NRFANRHFSA-N 1 1 413.521 4.830 50 0 HJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452601 568608999 /nfs/dbraw/zinc/60/89/99/568608999.db2.gz CTARYXNUPHYYTI-NRFANRHFSA-N 1 1 413.521 4.830 50 0 HJAAMO COc1ccccc1[C@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)[NH+](C)C ZINC000007966231 568660543 /nfs/dbraw/zinc/66/05/43/568660543.db2.gz XEJGRBBGHGUZDB-NRFANRHFSA-N 1 1 402.494 4.936 50 0 HJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460143 568768193 /nfs/dbraw/zinc/76/81/93/568768193.db2.gz LLYIUPRXVAQFCM-GCJKJVERSA-N 1 1 413.631 4.543 50 0 HJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCOC)cc1 ZINC000002715200 568802332 /nfs/dbraw/zinc/80/23/32/568802332.db2.gz LHOAASQYUCKQRV-UHFFFAOYSA-N 1 1 402.498 4.935 50 0 HJAAMO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057381145 568830568 /nfs/dbraw/zinc/83/05/68/568830568.db2.gz BNUMJGXMERAQMG-DEOSSOPVSA-N 1 1 404.535 4.757 50 0 HJAAMO Cc1cccc(N2CCc3c2nc2ccccc2c3NC(=O)C[NH+]2CCCCC2)c1 ZINC000003200200 568861163 /nfs/dbraw/zinc/86/11/63/568861163.db2.gz RRSQWFCWOASWFW-UHFFFAOYSA-N 1 1 400.526 4.662 50 0 HJAAMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012740530 568928802 /nfs/dbraw/zinc/92/88/02/568928802.db2.gz OXLIRTAAKAZCLE-UHFFFAOYSA-N 1 1 405.416 4.572 50 0 HJAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087056 568940870 /nfs/dbraw/zinc/94/08/70/568940870.db2.gz AXUITNITBRLWNP-UHFFFAOYSA-N 1 1 419.550 4.533 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087056 568940871 /nfs/dbraw/zinc/94/08/71/568940871.db2.gz AXUITNITBRLWNP-UHFFFAOYSA-N 1 1 419.550 4.533 50 0 HJAAMO COc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2ccco2)c1 ZINC000004193248 568950619 /nfs/dbraw/zinc/95/06/19/568950619.db2.gz FSPSZUIZHDPPOS-SFHVURJKSA-N 1 1 401.576 4.609 50 0 HJAAMO COc1ccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)cc1OC ZINC000007977055 568963101 /nfs/dbraw/zinc/96/31/01/568963101.db2.gz PRSHMBMTFIRXCR-UHFFFAOYSA-N 1 1 411.546 4.519 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(C)cc2)n(-c2ccccc2)n1 ZINC000012816326 568989968 /nfs/dbraw/zinc/98/99/68/568989968.db2.gz UWPKPSZNCAVZBI-DEOSSOPVSA-N 1 1 416.550 4.868 50 0 HJAAMO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1Cl ZINC000012903651 569020989 /nfs/dbraw/zinc/02/09/89/569020989.db2.gz KVQVXGCNYBCKGV-CQSZACIVSA-N 1 1 418.328 4.514 50 0 HJAAMO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1Cl ZINC000012903651 569020990 /nfs/dbraw/zinc/02/09/90/569020990.db2.gz KVQVXGCNYBCKGV-CQSZACIVSA-N 1 1 418.328 4.514 50 0 HJAAMO O=C(c1cc2sccc2n1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026416829 569031787 /nfs/dbraw/zinc/03/17/87/569031787.db2.gz ZARRXHHXXVKVQG-UHFFFAOYSA-N 1 1 415.562 4.709 50 0 HJAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)cc(OC)c1 ZINC000036030873 569080791 /nfs/dbraw/zinc/08/07/91/569080791.db2.gz IJMFOUNHZRCMDR-HXUWFJFHSA-N 1 1 421.965 4.645 50 0 HJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031582 569081081 /nfs/dbraw/zinc/08/10/81/569081081.db2.gz BSVRZRSUSURWDT-FQEVSTJZSA-N 1 1 405.922 4.983 50 0 HJAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)c1 ZINC000036098540 569090838 /nfs/dbraw/zinc/09/08/38/569090838.db2.gz IQUDDULSLLECER-QHCPKHFHSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102806 569092092 /nfs/dbraw/zinc/09/20/92/569092092.db2.gz IMOXWCSXCUYQHD-QFIPXVFZSA-N 1 1 411.929 4.791 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](C)O ZINC000036303925 569128859 /nfs/dbraw/zinc/12/88/59/569128859.db2.gz PEQHKVXTPSCVSN-GOSISDBHSA-N 1 1 409.530 4.574 50 0 HJAAMO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307799 569130269 /nfs/dbraw/zinc/13/02/69/569130269.db2.gz WOVMHEBXCVGAOB-QGZVFWFLSA-N 1 1 409.505 4.611 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3F)C2)cc1C ZINC000036341479 569141947 /nfs/dbraw/zinc/14/19/47/569141947.db2.gz PJDJEKWJDOESIH-DEOSSOPVSA-N 1 1 407.533 4.852 50 0 HJAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](C)O)c(C)nn2-c2ccccc2)c1 ZINC000036341970 569142211 /nfs/dbraw/zinc/14/22/11/569142211.db2.gz HNGHJXLDXAHWJB-LJQANCHMSA-N 1 1 423.557 4.820 50 0 HJAAMO Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036345722 569143393 /nfs/dbraw/zinc/14/33/93/569143393.db2.gz CVVYMCAOBXGLNA-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036345722 569143394 /nfs/dbraw/zinc/14/33/94/569143394.db2.gz CVVYMCAOBXGLNA-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036345969 569143565 /nfs/dbraw/zinc/14/35/65/569143565.db2.gz YVVDZNVAJFZYLR-GOSISDBHSA-N 1 1 411.521 4.951 50 0 HJAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877396 569164144 /nfs/dbraw/zinc/16/41/44/569164144.db2.gz GLDUZMJVRLRJEE-MRXNPFEDSA-N 1 1 401.913 4.781 50 0 HJAAMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007921717 569327139 /nfs/dbraw/zinc/32/71/39/569327139.db2.gz OONFLJARMUMZKP-ZJSXRUAMSA-N 1 1 408.542 4.595 50 0 HJAAMO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732597 569358231 /nfs/dbraw/zinc/35/82/31/569358231.db2.gz JRKXZSDHWWDBMI-QNIAMRLHSA-N 1 1 416.908 4.716 50 0 HJAAMO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732597 569358232 /nfs/dbraw/zinc/35/82/32/569358232.db2.gz JRKXZSDHWWDBMI-QNIAMRLHSA-N 1 1 416.908 4.716 50 0 HJAAMO CCOc1cc([C@H]2[NH2+]Cc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC ZINC000055008574 569375242 /nfs/dbraw/zinc/37/52/42/569375242.db2.gz ARBJEHCUMUOEKN-RUZDIDTESA-N 1 1 422.525 4.875 50 0 HJAAMO Cc1[nH]c2ccccc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793710 569429974 /nfs/dbraw/zinc/42/99/74/569429974.db2.gz TYXUOBQIDODTGH-UHFFFAOYSA-N 1 1 423.560 4.744 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532521 571074800 /nfs/dbraw/zinc/07/48/00/571074800.db2.gz PYXAEYSQBNJGHT-CYBMUJFWSA-N 1 1 400.828 4.697 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532521 571074803 /nfs/dbraw/zinc/07/48/03/571074803.db2.gz PYXAEYSQBNJGHT-CYBMUJFWSA-N 1 1 400.828 4.697 50 0 HJAAMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000039975637 571135376 /nfs/dbraw/zinc/13/53/76/571135376.db2.gz XRFCIZUUCGHNCU-UHFFFAOYSA-N 1 1 423.919 4.531 50 0 HJAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000245343133 571225879 /nfs/dbraw/zinc/22/58/79/571225879.db2.gz GHBYIXRAKLWPAK-UTKZUKDTSA-N 1 1 417.619 4.535 50 0 HJAAMO CCOc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)C[C@@H](C)CC5)CC2)cc1 ZINC000001472993 132246771 /nfs/dbraw/zinc/24/67/71/132246771.db2.gz XRYZMMZKYNLGTF-KRWDZBQOSA-N 1 1 422.598 4.537 50 0 HJAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccc(CC)cc32)CC1 ZINC000012437837 132359947 /nfs/dbraw/zinc/35/99/47/132359947.db2.gz QVPOIEPJIJMPNY-UHFFFAOYSA-N 1 1 416.521 4.808 50 0 HJAAMO Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000032953349 524084292 /nfs/dbraw/zinc/08/42/92/524084292.db2.gz YLNFKZRSHXOGCX-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766026 527222222 /nfs/dbraw/zinc/22/22/22/527222222.db2.gz VAPLPJYMIYOKKA-QFIPXVFZSA-N 1 1 410.970 4.860 50 0 HJAAMO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766026 527222229 /nfs/dbraw/zinc/22/22/29/527222229.db2.gz VAPLPJYMIYOKKA-QFIPXVFZSA-N 1 1 410.970 4.860 50 0 HJAAMO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020567857 527478916 /nfs/dbraw/zinc/47/89/16/527478916.db2.gz LYZOOQMIAZSJQP-UHFFFAOYSA-N 1 1 400.566 4.944 50 0 HJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671559 557362926 /nfs/dbraw/zinc/36/29/26/557362926.db2.gz MIZVBTIPDSXVGS-FQRUVTKNSA-N 1 1 414.549 4.738 50 0 HJAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N(C)Cc3ccco3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733599 557440504 /nfs/dbraw/zinc/44/05/04/557440504.db2.gz JXVDYIUTUARZIA-RPWUZVMVSA-N 1 1 402.538 4.852 50 0 HJAAMO Cc1cc(C)c(-c2cc(C(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)nn2C)c(C)c1 ZINC000034901547 557481512 /nfs/dbraw/zinc/48/15/12/557481512.db2.gz YNCRGSRFQOKIJX-OAQYLSRUSA-N 1 1 416.569 4.531 50 0 HJAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714849 557749819 /nfs/dbraw/zinc/74/98/19/557749819.db2.gz BCBFZJOAYKBJMH-UHFFFAOYSA-N 1 1 412.415 4.901 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000011753368 558272276 /nfs/dbraw/zinc/27/22/76/558272276.db2.gz CKZYTRBOPXJVBW-JOCHJYFZSA-N 1 1 405.542 4.777 50 0 HJAAMO COc1ccccc1/C=C/C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019799062 558285129 /nfs/dbraw/zinc/28/51/29/558285129.db2.gz JKLFYHRRSWKLMW-WUKNDPDISA-N 1 1 412.533 4.642 50 0 HJAAMO COc1ccc(-c2nc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)c(C)o2)cc1C ZINC000011873105 558290977 /nfs/dbraw/zinc/29/09/77/558290977.db2.gz RQKFMTLACQPSMS-QFIPXVFZSA-N 1 1 412.555 4.974 50 0 HJAAMO COc1cccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839172 558293278 /nfs/dbraw/zinc/29/32/78/558293278.db2.gz MMORXGKOSILCDL-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1cccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839172 558293281 /nfs/dbraw/zinc/29/32/81/558293281.db2.gz MMORXGKOSILCDL-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO OC[C@H]1CCCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011879718 558294271 /nfs/dbraw/zinc/29/42/71/558294271.db2.gz LXNPKQCRHBMEFE-JOCHJYFZSA-N 1 1 401.510 4.691 50 0 HJAAMO COc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019907610 558305870 /nfs/dbraw/zinc/30/58/70/558305870.db2.gz OXJSFQMQTLUGIC-UHFFFAOYSA-N 1 1 417.578 4.799 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cc(OC)c1O ZINC000012074523 558319233 /nfs/dbraw/zinc/31/92/33/558319233.db2.gz AWHPVVQJIDGCTK-LJQANCHMSA-N 1 1 411.542 4.802 50 0 HJAAMO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1=O ZINC000012091713 558324482 /nfs/dbraw/zinc/32/44/82/558324482.db2.gz VIRVKVDVDLTSQA-LJQANCHMSA-N 1 1 403.526 4.617 50 0 HJAAMO CSc1nccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000020031230 558324488 /nfs/dbraw/zinc/32/44/88/558324488.db2.gz ZGSSHGJLQVNDHP-OAQYLSRUSA-N 1 1 410.974 4.764 50 0 HJAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000012192948 558348429 /nfs/dbraw/zinc/34/84/29/558348429.db2.gz GADWXYQRYAOHRZ-JOCHJYFZSA-N 1 1 405.542 4.858 50 0 HJAAMO O[C@@H](CSc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421530 558361940 /nfs/dbraw/zinc/36/19/40/558361940.db2.gz FRBYSIBLYIDZCW-XMMPIXPASA-N 1 1 418.606 4.547 50 0 HJAAMO COCCN(C/C=C/c1ccccc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012385786 558394829 /nfs/dbraw/zinc/39/48/29/558394829.db2.gz ITAFMYYMYFVNGJ-QQRRWSATSA-N 1 1 404.598 4.528 50 0 HJAAMO CN(Cc1nc(-c2cccc(Cl)c2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012431262 558405764 /nfs/dbraw/zinc/40/57/64/558405764.db2.gz YARXYHXAONRMSH-UHFFFAOYSA-N 1 1 410.949 4.734 50 0 HJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 ZINC000012432476 558406662 /nfs/dbraw/zinc/40/66/62/558406662.db2.gz COODGUSOAVDXFO-JOCHJYFZSA-N 1 1 406.570 4.513 50 0 HJAAMO O=C(COc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012447866 558415169 /nfs/dbraw/zinc/41/51/69/558415169.db2.gz BGNIKHYSZSXTBI-QHCPKHFHSA-N 1 1 421.585 4.534 50 0 HJAAMO CN(C(=O)CCc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012463647 558419847 /nfs/dbraw/zinc/41/98/47/558419847.db2.gz PFKHNMKQTNDGFJ-OAQYLSRUSA-N 1 1 421.610 4.785 50 0 HJAAMO Cc1ccsc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012713263 558453813 /nfs/dbraw/zinc/45/38/13/558453813.db2.gz ZYFHVVUJNAEANV-OAQYLSRUSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1ccsc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012713263 558453816 /nfs/dbraw/zinc/45/38/16/558453816.db2.gz ZYFHVVUJNAEANV-OAQYLSRUSA-N 1 1 417.663 4.639 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCO)Cc2cccs2)c1 ZINC000012747624 558458568 /nfs/dbraw/zinc/45/85/68/558458568.db2.gz UQQJLDXKDXRGLD-UHFFFAOYSA-N 1 1 419.550 4.604 50 0 HJAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000022933791 558525461 /nfs/dbraw/zinc/52/54/61/558525461.db2.gz NMTXWADDYUYVSC-NRFANRHFSA-N 1 1 412.965 4.721 50 0 HJAAMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000024830541 558614763 /nfs/dbraw/zinc/61/47/63/558614763.db2.gz YVKYFONEYGJOLX-UHFFFAOYSA-N 1 1 405.416 4.572 50 0 HJAAMO O=c1[nH]c(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2cc(Cl)ccc21 ZINC000027574330 558675329 /nfs/dbraw/zinc/67/53/29/558675329.db2.gz QVAXJVWMRXHRNX-UHFFFAOYSA-N 1 1 411.889 4.662 50 0 HJAAMO O=c1[nH]c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2cc(Cl)ccc21 ZINC000027574330 558675331 /nfs/dbraw/zinc/67/53/31/558675331.db2.gz QVAXJVWMRXHRNX-UHFFFAOYSA-N 1 1 411.889 4.662 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCCC3)s2)C1)N1CCOCC1 ZINC000014955682 558682549 /nfs/dbraw/zinc/68/25/49/558682549.db2.gz ZDBDLSGJUHTJCA-IBGZPJMESA-N 1 1 404.620 4.647 50 0 HJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc4cnccc43)[N@H+]3CCC[C@@]123 ZINC000014957701 558682832 /nfs/dbraw/zinc/68/28/32/558682832.db2.gz INPKDKJFQQHZJS-QXWFJRNPSA-N 1 1 417.940 4.826 50 0 HJAAMO O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014992349 558694994 /nfs/dbraw/zinc/69/49/94/558694994.db2.gz HDPSQCRMPKUDDS-UUQNJRSWSA-N 1 1 414.471 4.744 50 0 HJAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C1CCOCC1 ZINC000015063293 558705908 /nfs/dbraw/zinc/70/59/08/558705908.db2.gz TYEPKITZNVRWIQ-UHFFFAOYSA-N 1 1 401.510 4.955 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1)Nc1ccccc1F ZINC000015065452 558708309 /nfs/dbraw/zinc/70/83/09/558708309.db2.gz QRQRYXVOQZMECE-IBGZPJMESA-N 1 1 406.505 4.642 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000004553971 558720932 /nfs/dbraw/zinc/72/09/32/558720932.db2.gz VWFZDOLUABDDFU-MRXNPFEDSA-N 1 1 406.349 4.706 50 0 HJAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000022938207 558769864 /nfs/dbraw/zinc/76/98/64/558769864.db2.gz XBRPQWVDVWHLSI-QHCPKHFHSA-N 1 1 415.493 4.615 50 0 HJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(F)cc1 ZINC000055157313 558874804 /nfs/dbraw/zinc/87/48/04/558874804.db2.gz KXYOITTUTNCREU-UHFFFAOYSA-N 1 1 407.464 4.539 50 0 HJAAMO CCn1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c(C)n1 ZINC000055226050 558876853 /nfs/dbraw/zinc/87/68/53/558876853.db2.gz YKUBUGLWSUXATE-HSZRJFAPSA-N 1 1 409.622 4.653 50 0 HJAAMO Cc1ccsc1CNc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)cc1 ZINC000055369252 558880435 /nfs/dbraw/zinc/88/04/35/558880435.db2.gz IOSMEELBMPJASO-LJQANCHMSA-N 1 1 408.571 4.726 50 0 HJAAMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(Cl)cc4)CC2)n1)CCCC3 ZINC000055514715 558881810 /nfs/dbraw/zinc/88/18/10/558881810.db2.gz MCECNQSKFGRULS-UHFFFAOYSA-N 1 1 412.990 4.854 50 0 HJAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000058122931 558899918 /nfs/dbraw/zinc/89/99/18/558899918.db2.gz PAPPVWFAZBEBSY-UHFFFAOYSA-N 1 1 406.526 4.556 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nc(N2CCCC2)[nH+]1 ZINC000072117638 558927513 /nfs/dbraw/zinc/92/75/13/558927513.db2.gz AUIGGAHJCLFYFZ-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO CC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1 ZINC000072420311 558978427 /nfs/dbraw/zinc/97/84/27/558978427.db2.gz RFFIYARYUUYBJD-HXUWFJFHSA-N 1 1 409.505 4.606 50 0 HJAAMO CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1 ZINC000072420311 558978429 /nfs/dbraw/zinc/97/84/29/558978429.db2.gz RFFIYARYUUYBJD-HXUWFJFHSA-N 1 1 409.505 4.606 50 0 HJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H](OC)C2)cc1OC ZINC000072469222 558983321 /nfs/dbraw/zinc/98/33/21/558983321.db2.gz ODBXDCMEIJCMCZ-NRFANRHFSA-N 1 1 406.526 4.838 50 0 HJAAMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268816 558993033 /nfs/dbraw/zinc/99/30/33/558993033.db2.gz IULPXUZJUWEBHD-UHFFFAOYSA-N 1 1 419.550 4.844 50 0 HJAAMO Cc1[nH+]cc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)n1C ZINC000067896485 558994604 /nfs/dbraw/zinc/99/46/04/558994604.db2.gz LEOYOIQIDPGANJ-UHFFFAOYSA-N 1 1 405.523 4.710 50 0 HJAAMO C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023181131 559031098 /nfs/dbraw/zinc/03/10/98/559031098.db2.gz NWQBJFCBIOHNOZ-WMZHIEFXSA-N 1 1 411.615 4.696 50 0 HJAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318336 559055918 /nfs/dbraw/zinc/05/59/18/559055918.db2.gz HYMBOWLOGQMXOG-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318336 559055920 /nfs/dbraw/zinc/05/59/20/559055920.db2.gz HYMBOWLOGQMXOG-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000002203819 560186641 /nfs/dbraw/zinc/18/66/41/560186641.db2.gz YQITXDDUZAGSSZ-CDNPAEQRSA-N 1 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMO Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000005515980 560603935 /nfs/dbraw/zinc/60/39/35/560603935.db2.gz ZOQYDPIIIKWEMA-VXKWHMMOSA-N 1 1 413.868 4.539 50 0 HJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000102749314 560824411 /nfs/dbraw/zinc/82/44/11/560824411.db2.gz ZXPIQNFUJMPRQO-QGDZQMKYSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000102749314 560824412 /nfs/dbraw/zinc/82/44/12/560824412.db2.gz ZXPIQNFUJMPRQO-QGDZQMKYSA-N 1 1 422.569 4.619 50 0 HJAAMO O=C(NC1CCCCC1)NC1CC[NH+](Cn2c(=S)oc3cc(Cl)ccc32)CC1 ZINC000048340438 568440250 /nfs/dbraw/zinc/44/02/50/568440250.db2.gz PKABXOGFOWZFHQ-UHFFFAOYSA-N 1 1 422.982 4.671 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012326008 568471780 /nfs/dbraw/zinc/47/17/80/568471780.db2.gz ZTPJKFJBBDRJOH-HXUWFJFHSA-N 1 1 404.514 4.711 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012326008 568471782 /nfs/dbraw/zinc/47/17/82/568471782.db2.gz ZTPJKFJBBDRJOH-HXUWFJFHSA-N 1 1 404.514 4.711 50 0 HJAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000604405137 568492495 /nfs/dbraw/zinc/49/24/95/568492495.db2.gz KUURZULWIFBCOA-NBGIEHNGSA-N 1 1 414.553 4.633 50 0 biogenic HJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288451 568597559 /nfs/dbraw/zinc/59/75/59/568597559.db2.gz IKRAOXRPOHZFJZ-FDDCHVKYSA-N 1 1 423.557 4.569 50 0 HJAAMO O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020366223 568601261 /nfs/dbraw/zinc/60/12/61/568601261.db2.gz PWBRHLZBEAGJCT-DTQAZKPQSA-N 1 1 412.533 4.623 50 0 HJAAMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000040103839 568617178 /nfs/dbraw/zinc/61/71/78/568617178.db2.gz DUAWVWQHYQQSEM-OAQYLSRUSA-N 1 1 400.954 4.673 50 0 HJAAMO CN(C)c1nccc(C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 ZINC000095989205 568677293 /nfs/dbraw/zinc/67/72/93/568677293.db2.gz LWPBRDAAUCOJQV-UHFFFAOYSA-N 1 1 402.420 4.644 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280029 568717774 /nfs/dbraw/zinc/71/77/74/568717774.db2.gz XIRPDHCJTYLPAH-GOSISDBHSA-N 1 1 401.551 4.506 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280029 568717777 /nfs/dbraw/zinc/71/77/77/568717777.db2.gz XIRPDHCJTYLPAH-GOSISDBHSA-N 1 1 401.551 4.506 50 0 HJAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)[nH+]2)cc1 ZINC000021794306 568753501 /nfs/dbraw/zinc/75/35/01/568753501.db2.gz ZJVWXTOZFXNATK-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)[nH+]c(C)n2)cc1 ZINC000021794306 568753502 /nfs/dbraw/zinc/75/35/02/568753502.db2.gz ZJVWXTOZFXNATK-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CC[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000021934558 568761991 /nfs/dbraw/zinc/76/19/91/568761991.db2.gz FSWABKWZLUGAMH-UHFFFAOYSA-N 1 1 424.548 4.939 50 0 HJAAMO O=C(C[NH+]1CCCC1)Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000001030753 568764320 /nfs/dbraw/zinc/76/43/20/568764320.db2.gz GWNHJWYKMXPHRE-UHFFFAOYSA-N 1 1 406.917 4.617 50 0 HJAAMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686821 568778892 /nfs/dbraw/zinc/77/88/92/568778892.db2.gz GMZPDVNXZLDQND-SANMLTNESA-N 1 1 410.561 4.868 50 0 HJAAMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299771557 568874395 /nfs/dbraw/zinc/87/43/95/568874395.db2.gz QVAYIMUXPSDTPD-HBMCJLEFSA-N 1 1 402.460 4.889 50 0 HJAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(CO)[C@H]12 ZINC000299804272 568876856 /nfs/dbraw/zinc/87/68/56/568876856.db2.gz NMFWDNZLNHRNAT-OTKJILAQSA-N 1 1 413.646 4.627 50 0 HJAAMO C[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2C1 ZINC000058019313 568876993 /nfs/dbraw/zinc/87/69/93/568876993.db2.gz JNWYZEUXZWLLIP-DCINASHKSA-N 1 1 424.335 4.883 50 0 HJAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2ccco2)cc1 ZINC000004193640 568950914 /nfs/dbraw/zinc/95/09/14/568950914.db2.gz SHGGTOGRSUIHRU-GOSISDBHSA-N 1 1 401.576 4.609 50 0 HJAAMO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007987144 568965076 /nfs/dbraw/zinc/96/50/76/568965076.db2.gz UKRHIDLFAPLNSM-QGZVFWFLSA-N 1 1 413.315 4.508 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000008161517 568979086 /nfs/dbraw/zinc/97/90/86/568979086.db2.gz APYAWANKTRHHCI-XMMPIXPASA-N 1 1 407.558 4.851 50 0 HJAAMO C[C@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447711 568985658 /nfs/dbraw/zinc/98/56/58/568985658.db2.gz PTNQJRSQSNRCRH-AWEZNQCLSA-N 1 1 423.314 4.643 50 0 HJAAMO Cc1cc(-c2csc(N3CC[NH+](C)CC3)n2)c(C)n1Cc1ccccc1Cl ZINC000006085591 568997761 /nfs/dbraw/zinc/99/77/61/568997761.db2.gz GEKFCPWIQMXXAS-UHFFFAOYSA-N 1 1 400.979 4.682 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000006616561 569074660 /nfs/dbraw/zinc/07/46/60/569074660.db2.gz LURPUJUSSIGFBV-INIZCTEOSA-N 1 1 406.349 4.706 50 0 HJAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069159 569086054 /nfs/dbraw/zinc/08/60/54/569086054.db2.gz XFIRAWKDZKADBA-AWEZNQCLSA-N 1 1 409.452 4.632 50 0 HJAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069159 569086056 /nfs/dbraw/zinc/08/60/56/569086056.db2.gz XFIRAWKDZKADBA-AWEZNQCLSA-N 1 1 409.452 4.632 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800951 569097571 /nfs/dbraw/zinc/09/75/71/569097571.db2.gz IMPXWYVMGCISCN-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](C)O)c(C)nn2-c2ccccc2)cc1 ZINC000036302388 569128672 /nfs/dbraw/zinc/12/86/72/569128672.db2.gz JQOHHKXHXAUGMD-LJQANCHMSA-N 1 1 423.557 4.820 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307114 569129437 /nfs/dbraw/zinc/12/94/37/569129437.db2.gz CHHRVULHSPDYPU-FQEVSTJZSA-N 1 1 409.505 4.754 50 0 HJAAMO C[N@@H+]([C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C1CCCCC1 ZINC000006809546 569133482 /nfs/dbraw/zinc/13/34/82/569133482.db2.gz VGUHAKIUPROFNV-OAQYLSRUSA-N 1 1 406.979 4.624 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968135 569137825 /nfs/dbraw/zinc/13/78/25/569137825.db2.gz REVHMCJVKRPMAA-IBGZPJMESA-N 1 1 405.542 4.607 50 0 HJAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036341177 569141849 /nfs/dbraw/zinc/14/18/49/569141849.db2.gz XUJYSMQTSOGYME-JOCHJYFZSA-N 1 1 411.933 4.512 50 0 HJAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000036345209 569143204 /nfs/dbraw/zinc/14/32/04/569143204.db2.gz UDEWWBXVTDDFPC-DEOSSOPVSA-N 1 1 401.485 4.635 50 0 HJAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000036345209 569143205 /nfs/dbraw/zinc/14/32/05/569143205.db2.gz UDEWWBXVTDDFPC-DEOSSOPVSA-N 1 1 401.485 4.635 50 0 HJAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000036345210 569143229 /nfs/dbraw/zinc/14/32/29/569143229.db2.gz UDEWWBXVTDDFPC-XMMPIXPASA-N 1 1 401.485 4.635 50 0 HJAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000036345210 569143230 /nfs/dbraw/zinc/14/32/30/569143230.db2.gz UDEWWBXVTDDFPC-XMMPIXPASA-N 1 1 401.485 4.635 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)C1CCCCC1 ZINC000065063033 569166871 /nfs/dbraw/zinc/16/68/71/569166871.db2.gz LXKMEMKVBHFADU-UHFFFAOYSA-N 1 1 424.570 4.850 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006881413 569167830 /nfs/dbraw/zinc/16/78/30/569167830.db2.gz NEFDEYVOBDXMSF-FQEVSTJZSA-N 1 1 405.523 4.776 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006881413 569167831 /nfs/dbraw/zinc/16/78/31/569167831.db2.gz NEFDEYVOBDXMSF-FQEVSTJZSA-N 1 1 405.523 4.776 50 0 HJAAMO CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)Cc1ccc(OC)c(F)c1 ZINC000006882264 569168285 /nfs/dbraw/zinc/16/82/85/569168285.db2.gz WVCHQUNWFGUMIC-UHFFFAOYSA-N 1 1 413.518 4.727 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)Cc1ccc(OC)c(F)c1 ZINC000006882264 569168287 /nfs/dbraw/zinc/16/82/87/569168287.db2.gz WVCHQUNWFGUMIC-UHFFFAOYSA-N 1 1 413.518 4.727 50 0 HJAAMO CCCC[N@@H+](CC)CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935617 569186163 /nfs/dbraw/zinc/18/61/63/569186163.db2.gz MVWHWCILGWKSRF-UHFFFAOYSA-N 1 1 416.997 4.782 50 0 HJAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000065322282 569224523 /nfs/dbraw/zinc/22/45/23/569224523.db2.gz IVQVSVWSLDXRSF-UHFFFAOYSA-N 1 1 406.530 4.621 50 0 HJAAMO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 ZINC000065322286 569224556 /nfs/dbraw/zinc/22/45/56/569224556.db2.gz XFDTYYSDSZGJIO-UHFFFAOYSA-N 1 1 420.557 4.929 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002247187 569324370 /nfs/dbraw/zinc/32/43/70/569324370.db2.gz SBXYGTTZCWHMPV-PKTZIBPZSA-N 1 1 414.415 4.769 50 0 HJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000002250173 569324666 /nfs/dbraw/zinc/32/46/66/569324666.db2.gz IRJGTLBCRVKZEP-LOSJGSFVSA-N 1 1 422.488 4.808 50 0 HJAAMO COc1ccc2c(c1)CCc1cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)sc1-2 ZINC000009253070 571242837 /nfs/dbraw/zinc/24/28/37/571242837.db2.gz QQPLCLVBAHRFSI-HXUWFJFHSA-N 1 1 422.550 4.682 50 0 HJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000009337256 571249417 /nfs/dbraw/zinc/24/94/17/571249417.db2.gz PAKTUUYLLLOPSV-INIZCTEOSA-N 1 1 407.495 4.716 50 0 HJAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000010053759 571294606 /nfs/dbraw/zinc/29/46/06/571294606.db2.gz YLGYJELUHPWSDE-RUZDIDTESA-N 1 1 418.537 4.653 50 0 HJAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2cccc3ccccc32)CC1 ZINC000004739304 132286550 /nfs/dbraw/zinc/28/65/50/132286550.db2.gz QHHWDVQRHVYEBC-UHFFFAOYSA-N 1 1 423.944 4.653 50 0 HJAAMO CC[NH+]1CCN(c2ncnc3c4c5c(c(-c6ccccc6)nc4sc32)CCC5)CC1 ZINC000005888788 132308227 /nfs/dbraw/zinc/30/82/27/132308227.db2.gz AGERZDLFRGINIT-UHFFFAOYSA-N 1 1 415.566 4.537 50 0 HJAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000012448718 132360777 /nfs/dbraw/zinc/36/07/77/132360777.db2.gz HRYMJGUMZOQFGW-XMMPIXPASA-N 1 1 416.968 4.765 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 ZINC000032909357 519747681 /nfs/dbraw/zinc/74/76/81/519747681.db2.gz WWJSHHNOZQNMMT-RLSLOFABSA-N 1 1 421.585 4.903 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 ZINC000032909357 519747682 /nfs/dbraw/zinc/74/76/82/519747682.db2.gz WWJSHHNOZQNMMT-RLSLOFABSA-N 1 1 421.585 4.903 50 0 HJAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000032969109 521725157 /nfs/dbraw/zinc/72/51/57/521725157.db2.gz HMQWICNZEUDVTF-FQEVSTJZSA-N 1 1 409.580 4.993 50 0 HJAAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000032969109 521725159 /nfs/dbraw/zinc/72/51/59/521725159.db2.gz HMQWICNZEUDVTF-FQEVSTJZSA-N 1 1 409.580 4.993 50 0 HJAAMO CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)CC)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034711328 557390881 /nfs/dbraw/zinc/39/08/81/557390881.db2.gz SXAJTODNDLRFHB-WUMKDDEVSA-N 1 1 408.586 4.778 50 0 HJAAMO CN(CCC[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000002922179 557427103 /nfs/dbraw/zinc/42/71/03/557427103.db2.gz NIDZODKAALSVLQ-UHFFFAOYSA-N 1 1 422.400 4.567 50 0 HJAAMO Cc1cc([C@H]2C[C@H](C(=O)NCC3CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034739943 557443212 /nfs/dbraw/zinc/44/32/12/557443212.db2.gz AYBYCZDHBSQLCF-SFTDATJTSA-N 1 1 414.952 4.919 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000004821167 557603174 /nfs/dbraw/zinc/60/31/74/557603174.db2.gz QMIRDHVDMROKEC-UHFFFAOYSA-N 1 1 422.532 4.742 50 0 HJAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004988774 557621838 /nfs/dbraw/zinc/62/18/38/557621838.db2.gz XEYYKRJBLPXUCX-UHFFFAOYSA-N 1 1 421.537 4.966 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@H](c3cccs3)O2)[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000002707230 557744085 /nfs/dbraw/zinc/74/40/85/557744085.db2.gz LMVQSYZTBOVYKZ-YADHBBJMSA-N 1 1 416.481 5.000 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(F)cc3)N3NC=NC3=[NH+]1)[C@@H](c1cccs1)O2 ZINC000002707228 557744137 /nfs/dbraw/zinc/74/41/37/557744137.db2.gz LMVQSYZTBOVYKZ-FGZHOGPDSA-N 1 1 416.481 5.000 50 0 HJAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714513 557749504 /nfs/dbraw/zinc/74/95/04/557749504.db2.gz CWEWHQHTSFSGOL-UHFFFAOYSA-N 1 1 423.314 4.644 50 0 HJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(OC)OC)cc1 ZINC000002974787 557776379 /nfs/dbraw/zinc/77/63/79/557776379.db2.gz NKSCSPWNELEALM-UHFFFAOYSA-N 1 1 418.497 4.517 50 0 HJAAMO CCCNS(=O)(=O)c1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000008870905 557813060 /nfs/dbraw/zinc/81/30/60/557813060.db2.gz GJLNZGROGMAERZ-UHFFFAOYSA-N 1 1 423.460 4.994 50 0 HJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011821698 558284769 /nfs/dbraw/zinc/28/47/69/558284769.db2.gz UMDWUBFPGJPKCT-NRFANRHFSA-N 1 1 401.510 4.767 50 0 HJAAMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019809047 558286398 /nfs/dbraw/zinc/28/63/98/558286398.db2.gz HZBSTKQZRLGIDI-UHFFFAOYSA-N 1 1 400.522 4.633 50 0 HJAAMO S=C(Nc1ccc(Nc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019840871 558293970 /nfs/dbraw/zinc/29/39/70/558293970.db2.gz OQLILGQMBAGPLX-UHFFFAOYSA-N 1 1 402.567 4.945 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)c(OC)c1 ZINC000011879848 558294468 /nfs/dbraw/zinc/29/44/68/558294468.db2.gz IDIXZDSWISMNKZ-FLVSMNSFSA-N 1 1 422.569 4.526 50 0 HJAAMO Cc1ccc(-c2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019849746 558295308 /nfs/dbraw/zinc/29/53/08/558295308.db2.gz GOTAIPBZIBLSEC-UHFFFAOYSA-N 1 1 424.548 4.952 50 0 HJAAMO Cc1ccc(-n2cc(C[NH2+]Cc3cn4ccsc4n3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011935410 558299524 /nfs/dbraw/zinc/29/95/24/558299524.db2.gz FMVCXPZUJQCPDL-UHFFFAOYSA-N 1 1 417.513 4.986 50 0 HJAAMO CC(C)c1nc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012072552 558317715 /nfs/dbraw/zinc/31/77/15/558317715.db2.gz JYVQTGCSXOBDEM-GOSISDBHSA-N 1 1 420.022 4.947 50 0 HJAAMO COc1ccccc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166741 558342783 /nfs/dbraw/zinc/34/27/83/558342783.db2.gz PUPPJPUFTOTPAU-UHFFFAOYSA-N 1 1 401.510 4.634 50 0 HJAAMO CN(Cc1c[nH]nc1-c1cccc(F)c1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000020205458 558346947 /nfs/dbraw/zinc/34/69/47/558346947.db2.gz RJCGXRRJUWUPCH-HXUWFJFHSA-N 1 1 424.539 4.741 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1cccs1 ZINC000012195444 558349323 /nfs/dbraw/zinc/34/93/23/558349323.db2.gz BCLPXEPTWIRYLP-GOSISDBHSA-N 1 1 424.532 4.723 50 0 HJAAMO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4nccs4)CC3)c2)c1 ZINC000020254763 558351876 /nfs/dbraw/zinc/35/18/76/558351876.db2.gz KOXNCPRWYLIFGU-UHFFFAOYSA-N 1 1 407.539 4.669 50 0 HJAAMO CC(C)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302224 558371908 /nfs/dbraw/zinc/37/19/08/558371908.db2.gz ONDAFLVISSPMQQ-HXUWFJFHSA-N 1 1 416.569 4.842 50 0 HJAAMO CC(C)c1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302224 558371910 /nfs/dbraw/zinc/37/19/10/558371910.db2.gz ONDAFLVISSPMQQ-HXUWFJFHSA-N 1 1 416.569 4.842 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012304149 558373419 /nfs/dbraw/zinc/37/34/19/558373419.db2.gz BIGXEGTYOYJILW-OAQYLSRUSA-N 1 1 424.585 4.575 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1)Nc1ccccc1F ZINC000012306733 558375621 /nfs/dbraw/zinc/37/56/21/558375621.db2.gz AJXFWUWGIBELOH-IBGZPJMESA-N 1 1 406.505 4.642 50 0 HJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1 ZINC000012386287 558395000 /nfs/dbraw/zinc/39/50/00/558395000.db2.gz LVOODWXRZHHATI-KRWDZBQOSA-N 1 1 403.567 4.714 50 0 HJAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1 ZINC000012386287 558395002 /nfs/dbraw/zinc/39/50/02/558395002.db2.gz LVOODWXRZHHATI-KRWDZBQOSA-N 1 1 403.567 4.714 50 0 HJAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438680 558410141 /nfs/dbraw/zinc/41/01/41/558410141.db2.gz DUQBZXDLTJIMBN-MRXNPFEDSA-N 1 1 417.933 4.769 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438680 558410144 /nfs/dbraw/zinc/41/01/44/558410144.db2.gz DUQBZXDLTJIMBN-MRXNPFEDSA-N 1 1 417.933 4.769 50 0 HJAAMO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)c1OC ZINC000012705465 558449816 /nfs/dbraw/zinc/44/98/16/558449816.db2.gz RJBTXFXBFHBHSH-GFCCVEGCSA-N 1 1 421.875 4.980 50 0 HJAAMO COCC[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012711455 558452775 /nfs/dbraw/zinc/45/27/75/558452775.db2.gz NBTQMNPEWQRJHC-OAQYLSRUSA-N 1 1 419.525 4.659 50 0 HJAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1Cl ZINC000012797276 558469818 /nfs/dbraw/zinc/46/98/18/558469818.db2.gz ZQPPZMXRPUEZJD-UHFFFAOYSA-N 1 1 404.869 4.591 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022930294 558523940 /nfs/dbraw/zinc/52/39/40/558523940.db2.gz AZHIWAPAIMARES-UHFFFAOYSA-N 1 1 421.610 4.782 50 0 HJAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022930196 558523989 /nfs/dbraw/zinc/52/39/89/558523989.db2.gz ONJLTHVMQITBMR-LJQANCHMSA-N 1 1 407.583 4.663 50 0 HJAAMO CNC(=O)c1ccc(C[N@H+](Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024828596 558614077 /nfs/dbraw/zinc/61/40/77/558614077.db2.gz PNZSRXBRAMOENE-UHFFFAOYSA-N 1 1 422.532 4.821 50 0 HJAAMO CNC(=O)c1ccc(C[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024828596 558614079 /nfs/dbraw/zinc/61/40/79/558614079.db2.gz PNZSRXBRAMOENE-UHFFFAOYSA-N 1 1 422.532 4.821 50 0 HJAAMO C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000004544039 558664122 /nfs/dbraw/zinc/66/41/22/558664122.db2.gz ZBSFCAUVBMSGLK-OKRNDORHSA-N 1 1 415.562 4.891 50 0 HJAAMO C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000004544039 558664123 /nfs/dbraw/zinc/66/41/23/558664123.db2.gz ZBSFCAUVBMSGLK-OKRNDORHSA-N 1 1 415.562 4.891 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H](C)c2ccncn2)c(F)c1 ZINC000014949944 558680797 /nfs/dbraw/zinc/68/07/97/558680797.db2.gz BARVMRFHECJHLF-KRWDZBQOSA-N 1 1 417.488 4.670 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)c2ccncn2)c(F)c1 ZINC000014949944 558680799 /nfs/dbraw/zinc/68/07/99/558680799.db2.gz BARVMRFHECJHLF-KRWDZBQOSA-N 1 1 417.488 4.670 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957151 558682744 /nfs/dbraw/zinc/68/27/44/558682744.db2.gz DMFDXQYHMJNTHQ-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957151 558682745 /nfs/dbraw/zinc/68/27/45/558682745.db2.gz DMFDXQYHMJNTHQ-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](CCC(=O)Nc3ccccc3F)C1)CO2 ZINC000014973539 558688287 /nfs/dbraw/zinc/68/82/87/558688287.db2.gz LHRNWZZRRVWLJQ-GOSISDBHSA-N 1 1 424.516 4.741 50 0 HJAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](CCC(=O)Nc3ccccc3F)C1)CO2 ZINC000014973535 558688366 /nfs/dbraw/zinc/68/83/66/558688366.db2.gz LHRNWZZRRVWLJQ-SFHVURJKSA-N 1 1 424.516 4.741 50 0 HJAAMO COC[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000014981444 558691902 /nfs/dbraw/zinc/69/19/02/558691902.db2.gz JRLGAPDENYJNGM-HXUWFJFHSA-N 1 1 401.510 4.813 50 0 HJAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015004889 558698834 /nfs/dbraw/zinc/69/88/34/558698834.db2.gz AKLZWRKTNHVHNE-INIZCTEOSA-N 1 1 403.452 4.517 50 0 HJAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCCC[C@@H]2C)CCC3)c1 ZINC000004554480 558722144 /nfs/dbraw/zinc/72/21/44/558722144.db2.gz ZJNGICXZKOIDTB-INIZCTEOSA-N 1 1 411.571 4.610 50 0 HJAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCCC[C@@H]2C)CCC3)c1 ZINC000004554480 558722147 /nfs/dbraw/zinc/72/21/47/558722147.db2.gz ZJNGICXZKOIDTB-INIZCTEOSA-N 1 1 411.571 4.610 50 0 HJAAMO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000015310338 558731594 /nfs/dbraw/zinc/73/15/94/558731594.db2.gz WEUQCIONJNMBFM-FGZHOGPDSA-N 1 1 408.542 4.642 50 0 HJAAMO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000015310338 558731595 /nfs/dbraw/zinc/73/15/95/558731595.db2.gz WEUQCIONJNMBFM-FGZHOGPDSA-N 1 1 408.542 4.642 50 0 HJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860514 558758366 /nfs/dbraw/zinc/75/83/66/558758366.db2.gz ABGFJFYDAKYUPO-HXUWFJFHSA-N 1 1 422.525 4.514 50 0 HJAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087234 558760577 /nfs/dbraw/zinc/76/05/77/558760577.db2.gz WAISYARQUKKWBM-HXUWFJFHSA-N 1 1 416.949 4.720 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000072308229 558768496 /nfs/dbraw/zinc/76/84/96/558768496.db2.gz BHAJQDWBFLDTGI-INIZCTEOSA-N 1 1 423.538 4.728 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000072308229 558768499 /nfs/dbraw/zinc/76/84/99/558768499.db2.gz BHAJQDWBFLDTGI-INIZCTEOSA-N 1 1 423.538 4.728 50 0 HJAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000022938210 558769903 /nfs/dbraw/zinc/76/99/03/558769903.db2.gz XBRPQWVDVWHLSI-HSZRJFAPSA-N 1 1 415.493 4.615 50 0 HJAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000016383805 558789015 /nfs/dbraw/zinc/78/90/15/558789015.db2.gz FEBQIEFGGWPOGA-UHFFFAOYSA-N 1 1 424.397 4.866 50 0 HJAAMO CCOC(=O)Cn1c(C)c(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c2ccccc21 ZINC000035453912 558792083 /nfs/dbraw/zinc/79/20/83/558792083.db2.gz YQEPXCRTKZAUMS-QFIPXVFZSA-N 1 1 409.530 4.961 50 0 HJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000055074224 558871550 /nfs/dbraw/zinc/87/15/50/558871550.db2.gz KSRVQCQIJAWSBE-HNNXBMFYSA-N 1 1 405.445 4.805 50 0 HJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000055074224 558871551 /nfs/dbraw/zinc/87/15/51/558871551.db2.gz KSRVQCQIJAWSBE-HNNXBMFYSA-N 1 1 405.445 4.805 50 0 HJAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)cnn1-c1cccc(F)c1 ZINC000055244545 558877328 /nfs/dbraw/zinc/87/73/28/558877328.db2.gz NSGZWUXKHFGDIZ-QGZVFWFLSA-N 1 1 401.489 4.936 50 0 HJAAMO COc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358232 558879951 /nfs/dbraw/zinc/87/99/51/558879951.db2.gz FWCRHJYCKFZIAA-KRWDZBQOSA-N 1 1 417.488 4.670 50 0 HJAAMO COc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358232 558879956 /nfs/dbraw/zinc/87/99/56/558879956.db2.gz FWCRHJYCKFZIAA-KRWDZBQOSA-N 1 1 417.488 4.670 50 0 HJAAMO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057945566 558891669 /nfs/dbraw/zinc/89/16/69/558891669.db2.gz HJSGQPSOOPITJB-UHFFFAOYSA-N 1 1 422.550 4.805 50 0 HJAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)ccc1OC(F)F ZINC000058124573 558900134 /nfs/dbraw/zinc/90/01/34/558900134.db2.gz JMFCVUQNWVNSHL-UHFFFAOYSA-N 1 1 423.843 4.997 50 0 HJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1F ZINC000058133327 558900559 /nfs/dbraw/zinc/90/05/59/558900559.db2.gz XPWKEDDFORYKLC-UHFFFAOYSA-N 1 1 413.290 4.906 50 0 HJAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000019561338 558922153 /nfs/dbraw/zinc/92/21/53/558922153.db2.gz XQYWVRIGLZLRMU-UHFFFAOYSA-N 1 1 402.494 4.514 50 0 HJAAMO OCC[C@H]1CCC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072411429 558977651 /nfs/dbraw/zinc/97/76/51/558977651.db2.gz VRMRHWVIWUJSPO-LJQANCHMSA-N 1 1 410.901 4.631 50 0 HJAAMO Fc1ccc(-n2cc(CN3CC[N@H+]4CCC[C@@H]4C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072480797 558984127 /nfs/dbraw/zinc/98/41/27/558984127.db2.gz NGKKWCKQUSTGDD-HXUWFJFHSA-N 1 1 410.924 4.612 50 0 HJAAMO O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033287243 559043934 /nfs/dbraw/zinc/04/39/34/559043934.db2.gz RYNJLEUYQFOFKQ-UHFFFAOYSA-N 1 1 415.921 4.825 50 0 HJAAMO O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033287243 559043936 /nfs/dbraw/zinc/04/39/36/559043936.db2.gz RYNJLEUYQFOFKQ-UHFFFAOYSA-N 1 1 415.921 4.825 50 0 HJAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004747719 559046039 /nfs/dbraw/zinc/04/60/39/559046039.db2.gz NXBHXJUJLANLDR-IYBDPMFKSA-N 1 1 400.544 4.508 50 0 HJAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004747719 559046040 /nfs/dbraw/zinc/04/60/40/559046040.db2.gz NXBHXJUJLANLDR-IYBDPMFKSA-N 1 1 400.544 4.508 50 0 HJAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000033326679 559059463 /nfs/dbraw/zinc/05/94/63/559059463.db2.gz MJGMVHDLDBAFCB-UHFFFAOYSA-N 1 1 408.531 4.961 50 0 HJAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000033326679 559059464 /nfs/dbraw/zinc/05/94/64/559059464.db2.gz MJGMVHDLDBAFCB-UHFFFAOYSA-N 1 1 408.531 4.961 50 0 HJAAMO O=C(c1c(F)cccc1F)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023335749 559172311 /nfs/dbraw/zinc/17/23/11/559172311.db2.gz QLFLJFVCPHAVLV-UHFFFAOYSA-N 1 1 418.487 4.611 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000005053880 559238945 /nfs/dbraw/zinc/23/89/45/559238945.db2.gz SBXYGTTZCWHMPV-GOTSBHOMSA-N 1 1 414.415 4.769 50 0 HJAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000005053751 559238984 /nfs/dbraw/zinc/23/89/84/559238984.db2.gz MCZWQRPBPUICEI-GOTSBHOMSA-N 1 1 414.415 4.769 50 0 HJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005137271 559250202 /nfs/dbraw/zinc/25/02/02/559250202.db2.gz HIMCOJBQTLRNTJ-UHFFFAOYSA-N 1 1 402.608 4.529 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005144763 559252409 /nfs/dbraw/zinc/25/24/09/559252409.db2.gz FTWHBUUMVNMBIN-IBGZPJMESA-N 1 1 414.619 4.671 50 0 HJAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000005516537 560604526 /nfs/dbraw/zinc/60/45/26/560604526.db2.gz PWKDSKMQHOTDTE-YADHBBJMSA-N 1 1 413.868 4.539 50 0 HJAAMO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1Cl ZINC000000831827 568507952 /nfs/dbraw/zinc/50/79/52/568507952.db2.gz JFJDDFYRSYRPDO-GOSISDBHSA-N 1 1 407.695 4.730 50 0 HJAAMO C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288448 568597453 /nfs/dbraw/zinc/59/74/53/568597453.db2.gz PSTXPRDTIYBNSR-MBSDFSHPSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288453 568597600 /nfs/dbraw/zinc/59/76/00/568597600.db2.gz IKRAOXRPOHZFJZ-JPYJTQIMSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288521 568597784 /nfs/dbraw/zinc/59/77/84/568597784.db2.gz JFUMCMXUZNHAFC-AUSIDOKSSA-N 1 1 421.566 4.789 50 0 HJAAMO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCN(c4ccccc4F)CC3)n2c1 ZINC000020366666 568601362 /nfs/dbraw/zinc/60/13/62/568601362.db2.gz LJYNXMMMAARRQC-UHFFFAOYSA-N 1 1 400.501 4.771 50 0 HJAAMO c1cnn(-c2ccc(C[NH2+]C3(c4nc(-c5ccsc5)no4)CCCCC3)cc2)c1 ZINC000095450129 568613960 /nfs/dbraw/zinc/61/39/60/568613960.db2.gz YEWSCKXLFNOBBN-UHFFFAOYSA-N 1 1 405.527 4.933 50 0 HJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2c1ccccc1 ZINC000021045681 568660183 /nfs/dbraw/zinc/66/01/83/568660183.db2.gz DETRMWPROHWHHD-XMMPIXPASA-N 1 1 404.579 4.883 50 0 HJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2c1ccccc1 ZINC000021045681 568660185 /nfs/dbraw/zinc/66/01/85/568660185.db2.gz DETRMWPROHWHHD-XMMPIXPASA-N 1 1 404.579 4.883 50 0 HJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)cc1 ZINC000096280592 568718105 /nfs/dbraw/zinc/71/81/05/568718105.db2.gz LGHZBWQADUKRCP-UHFFFAOYSA-N 1 1 403.501 4.709 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2c(CC(C)C)nn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000096299837 568722903 /nfs/dbraw/zinc/72/29/03/568722903.db2.gz KCVGMCCPUNVTLF-UHFFFAOYSA-N 1 1 416.997 4.625 50 0 HJAAMO COc1cccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)c1 ZINC000002637959 568792801 /nfs/dbraw/zinc/79/28/01/568792801.db2.gz QDKZGICMXQZMKI-RUZDIDTESA-N 1 1 414.505 4.976 50 0 HJAAMO C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015942 568823293 /nfs/dbraw/zinc/82/32/93/568823293.db2.gz KIHKEBIYSKTKBZ-AUSIDOKSSA-N 1 1 420.582 4.822 50 0 HJAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+]Cc1ccco1 ZINC000003292414 568873899 /nfs/dbraw/zinc/87/38/99/568873899.db2.gz XVNQCGFWOUEWSV-UHFFFAOYSA-N 1 1 418.902 4.567 50 0 HJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2)cc1 ZINC000012747158 568932749 /nfs/dbraw/zinc/93/27/49/568932749.db2.gz BLLPSCBQGLAYRK-QHCPKHFHSA-N 1 1 408.885 4.695 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086904 568940628 /nfs/dbraw/zinc/94/06/28/568940628.db2.gz VFGRTNABKCHLDW-UHFFFAOYSA-N 1 1 412.964 4.659 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086904 568940629 /nfs/dbraw/zinc/94/06/29/568940629.db2.gz VFGRTNABKCHLDW-UHFFFAOYSA-N 1 1 412.964 4.659 50 0 HJAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740770 569001100 /nfs/dbraw/zinc/00/11/00/569001100.db2.gz PBNHKGZKMXCOHO-NFBKMPQASA-N 1 1 402.941 4.952 50 0 HJAAMO Cc1cc(C)cc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020231988 569007948 /nfs/dbraw/zinc/00/79/48/569007948.db2.gz YNELGIIVRLSCNX-UHFFFAOYSA-N 1 1 414.549 4.616 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000012857832 569011231 /nfs/dbraw/zinc/01/12/31/569011231.db2.gz WDBZDOKNXGOZBR-CQSZACIVSA-N 1 1 403.313 4.777 50 0 HJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000015824990 569011375 /nfs/dbraw/zinc/01/13/75/569011375.db2.gz WDHDBOWSCLKCSZ-UHFFFAOYSA-N 1 1 422.920 4.536 50 0 HJAAMO Fc1ccc(-n2cc(CN3CC[N@H+]4CCC[C@H]4C3)c(-c3ccccc3Cl)n2)cc1 ZINC000244734490 569055115 /nfs/dbraw/zinc/05/51/15/569055115.db2.gz NGKKWCKQUSTGDD-FQEVSTJZSA-N 1 1 410.924 4.612 50 0 HJAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000245312541 569055761 /nfs/dbraw/zinc/05/57/61/569055761.db2.gz VRUITDXLWLLLDF-GVXSCFBNSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000245312541 569055762 /nfs/dbraw/zinc/05/57/62/569055762.db2.gz VRUITDXLWLLLDF-GVXSCFBNSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccccc1C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)CC(C)C ZINC000035843577 569062444 /nfs/dbraw/zinc/06/24/44/569062444.db2.gz MYGBYWQBNASAOS-HSZRJFAPSA-N 1 1 400.563 4.866 50 0 HJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064801463 569097154 /nfs/dbraw/zinc/09/71/54/569097154.db2.gz ZNBZMLBCYXJKLX-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307574 569130054 /nfs/dbraw/zinc/13/00/54/569130054.db2.gz WRDOLJDXKJWBDO-FQEVSTJZSA-N 1 1 411.521 5.000 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](C)O ZINC000036316151 569135096 /nfs/dbraw/zinc/13/50/96/569135096.db2.gz HYSKHMQETVADAS-INIZCTEOSA-N 1 1 415.484 4.750 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036316531 569135265 /nfs/dbraw/zinc/13/52/65/569135265.db2.gz MAMHDDOHHSLBEO-SFHVURJKSA-N 1 1 423.532 4.959 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)C1CCCCC1 ZINC000064968162 569137902 /nfs/dbraw/zinc/13/79/02/569137902.db2.gz NSNAOABLKCBDQL-UHFFFAOYSA-N 1 1 419.569 4.997 50 0 HJAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345249 569143207 /nfs/dbraw/zinc/14/32/07/569143207.db2.gz DJWZQBIAHSICNK-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345249 569143208 /nfs/dbraw/zinc/14/32/08/569143208.db2.gz DJWZQBIAHSICNK-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036345970 569143606 /nfs/dbraw/zinc/14/36/06/569143606.db2.gz YVVDZNVAJFZYLR-SFHVURJKSA-N 1 1 411.521 4.951 50 0 HJAAMO Cc1ccc(Cn2cc(CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)c3ccccc32)cc1 ZINC000006858149 569156890 /nfs/dbraw/zinc/15/68/90/569156890.db2.gz ZLIWDXXZRZLCHX-JOCHJYFZSA-N 1 1 417.597 4.921 50 0 HJAAMO O=C(Nc1cccc2c1CCCC2)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877408 569164163 /nfs/dbraw/zinc/16/41/63/569164163.db2.gz MNHMMMNLCXYMPT-HXUWFJFHSA-N 1 1 403.570 4.868 50 0 HJAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000006913248 569179519 /nfs/dbraw/zinc/17/95/19/569179519.db2.gz PZIKUBBTDJTFBF-IBGZPJMESA-N 1 1 403.570 4.911 50 0 HJAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000170629380 569250793 /nfs/dbraw/zinc/25/07/93/569250793.db2.gz DQPBNQAYCKPZGS-LDLUVENISA-N 1 1 421.651 4.756 50 0 HJAAMO C[N@@H+](Cc1csc(-c2ccco2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089661747 569262050 /nfs/dbraw/zinc/26/20/50/569262050.db2.gz WJDWXQQFOOZMGW-SJPCQFCGSA-N 1 1 403.548 4.765 50 0 HJAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000000638023 569281669 /nfs/dbraw/zinc/28/16/69/569281669.db2.gz KIYDXTJXEMXNJU-DQEYMECFSA-N 1 1 422.488 4.808 50 0 HJAAMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007607202 569295326 /nfs/dbraw/zinc/29/53/26/569295326.db2.gz WXXWORPXSCHHCB-AEFFLSMTSA-N 1 1 411.546 4.662 50 0 HJAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000253388927 569364995 /nfs/dbraw/zinc/36/49/95/569364995.db2.gz PBNHKGZKMXCOHO-OFNKIYASSA-N 1 1 402.941 4.952 50 0 HJAAMO CCOc1cc(CNc2ccc3[nH]c[nH+]c3c2)ccc1OCC(=O)Nc1ccccc1 ZINC000253430781 569368887 /nfs/dbraw/zinc/36/88/87/569368887.db2.gz SFEKISWUGXNJDY-UHFFFAOYSA-N 1 1 416.481 4.591 50 0 HJAAMO C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CC[NH+](C)CC3)cc21 ZINC000253495763 569381925 /nfs/dbraw/zinc/38/19/25/569381925.db2.gz QKAAFTHACJHSBG-LJQANCHMSA-N 1 1 407.627 4.902 50 0 HJAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cccc(-c3nnco3)c2)c1 ZINC000079075992 569427003 /nfs/dbraw/zinc/42/70/03/569427003.db2.gz LXJWFEHQUJMDDS-UHFFFAOYSA-N 1 1 407.518 4.680 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1csc(-c2ccco2)n1 ZINC000040107149 571167675 /nfs/dbraw/zinc/16/76/75/571167675.db2.gz FLTFKBBTWHPKBZ-QGZVFWFLSA-N 1 1 409.555 4.636 50 0 HJAAMO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000009250756 571241982 /nfs/dbraw/zinc/24/19/82/571241982.db2.gz XNSBJXRQWVZUOP-QFIPXVFZSA-N 1 1 400.950 4.625 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009257562 571243748 /nfs/dbraw/zinc/24/37/48/571243748.db2.gz QCYMXAZNUBDLQX-HXUWFJFHSA-N 1 1 423.513 4.915 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009257562 571243749 /nfs/dbraw/zinc/24/37/49/571243749.db2.gz QCYMXAZNUBDLQX-HXUWFJFHSA-N 1 1 423.513 4.915 50 0 HJAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000001447661 132246354 /nfs/dbraw/zinc/24/63/54/132246354.db2.gz HFDQYYVFVKIRDR-IAGOWNOFSA-N 1 1 402.473 4.840 50 0 HJAAMO CC(=O)O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000032593450 519757920 /nfs/dbraw/zinc/75/79/20/519757920.db2.gz IOZFHIIXZPSGNV-QHCPKHFHSA-N 1 1 413.901 4.946 50 0 HJAAMO CC(=O)O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000032593450 519757922 /nfs/dbraw/zinc/75/79/22/519757922.db2.gz IOZFHIIXZPSGNV-QHCPKHFHSA-N 1 1 413.901 4.946 50 0 HJAAMO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000032654904 521285905 /nfs/dbraw/zinc/28/59/05/521285905.db2.gz MZBKQMVQCIBTMW-UHFFFAOYSA-N 1 1 408.542 4.754 50 0 HJAAMO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000032654904 521285911 /nfs/dbraw/zinc/28/59/11/521285911.db2.gz MZBKQMVQCIBTMW-UHFFFAOYSA-N 1 1 408.542 4.754 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023309865 521638061 /nfs/dbraw/zinc/63/80/61/521638061.db2.gz PMKZWUACUJFSDC-HXUWFJFHSA-N 1 1 408.933 4.611 50 0 HJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023309865 521638064 /nfs/dbraw/zinc/63/80/64/521638064.db2.gz PMKZWUACUJFSDC-HXUWFJFHSA-N 1 1 408.933 4.611 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023309865 521638066 /nfs/dbraw/zinc/63/80/66/521638066.db2.gz PMKZWUACUJFSDC-HXUWFJFHSA-N 1 1 408.933 4.611 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21)C1CCCCC1 ZINC000032894177 523375097 /nfs/dbraw/zinc/37/50/97/523375097.db2.gz OGFJSKYTCZRWOJ-UHFFFAOYSA-N 1 1 423.582 4.529 50 0 HJAAMO Cc1c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cnn1C ZINC000043103091 525706148 /nfs/dbraw/zinc/70/61/48/525706148.db2.gz FAQSXMGQKWXZPP-MRXNPFEDSA-N 1 1 403.452 4.517 50 0 HJAAMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000032905015 526178358 /nfs/dbraw/zinc/17/83/58/526178358.db2.gz TXQYKVJUNBKCNP-MRXNPFEDSA-N 1 1 412.484 4.521 50 0 HJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)N[C@H](C)c4ccccc4)c3)CC2)cc1 ZINC000034668285 557362062 /nfs/dbraw/zinc/36/20/62/557362062.db2.gz DJAJKKCQFZRQJI-JOCHJYFZSA-N 1 1 413.565 4.808 50 0 HJAAMO COc1cccc(C[N@H+]2C[C@@H](C(=O)NCc3ccccc3)CC[C@@H]2c2ccccc2)c1 ZINC000034669812 557363122 /nfs/dbraw/zinc/36/31/22/557363122.db2.gz JYHYAVUBKGURFO-AZGAKELHSA-N 1 1 414.549 4.965 50 0 HJAAMO O=C1NC2(CC[NH+](Cc3ccccc3C(F)(F)F)CC2)Nc2cc(Cl)ccc21 ZINC000034812174 557464823 /nfs/dbraw/zinc/46/48/23/557464823.db2.gz PADGDDBWRUJQLE-UHFFFAOYSA-N 1 1 409.839 4.506 50 0 HJAAMO Cc1c(C[NH2+]Cc2cc3cc(C)ccc3nc2OCc2ccccc2C)cnn1C ZINC000011786661 558276225 /nfs/dbraw/zinc/27/62/25/558276225.db2.gz UCRPVQREKRCWBM-UHFFFAOYSA-N 1 1 400.526 4.762 50 0 HJAAMO O=C(NCCSc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019811851 558286880 /nfs/dbraw/zinc/28/68/80/558286880.db2.gz NMYAUBFFWNMDMZ-UHFFFAOYSA-N 1 1 402.563 4.767 50 0 HJAAMO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019871493 558299692 /nfs/dbraw/zinc/29/96/92/558299692.db2.gz PYHQBSIHJSLTHB-QFIPXVFZSA-N 1 1 414.549 4.696 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000011949075 558302422 /nfs/dbraw/zinc/30/24/22/558302422.db2.gz OIYVWPRAGBZONU-OAHLLOKOSA-N 1 1 415.946 4.691 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000011949075 558302425 /nfs/dbraw/zinc/30/24/25/558302425.db2.gz OIYVWPRAGBZONU-OAHLLOKOSA-N 1 1 415.946 4.691 50 0 HJAAMO COCc1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)ccc1OC ZINC000011957557 558303833 /nfs/dbraw/zinc/30/38/33/558303833.db2.gz UTDQFMKYPUNXMO-SFHVURJKSA-N 1 1 414.521 4.612 50 0 HJAAMO COC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)C1 ZINC000012056827 558316180 /nfs/dbraw/zinc/31/61/80/558316180.db2.gz AIZXLLSXDOBLRN-SFHVURJKSA-N 1 1 409.505 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COCCN(C/C=C/c1ccccc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012385785 558394860 /nfs/dbraw/zinc/39/48/60/558394860.db2.gz ITAFMYYMYFVNGJ-IWXKUNQBSA-N 1 1 404.598 4.528 50 0 HJAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000012438910 558410351 /nfs/dbraw/zinc/41/03/51/558410351.db2.gz ASXKDBYHSUTCAK-QFIPXVFZSA-N 1 1 416.569 4.504 50 0 HJAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012584619 558433665 /nfs/dbraw/zinc/43/36/65/558433665.db2.gz QTWIPPUXRICUMY-FQEVSTJZSA-N 1 1 403.526 4.664 50 0 HJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012701926 558448031 /nfs/dbraw/zinc/44/80/31/558448031.db2.gz PKDDRLZCOLLKBR-IBGZPJMESA-N 1 1 401.938 4.670 50 0 HJAAMO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1 ZINC000012704040 558448922 /nfs/dbraw/zinc/44/89/22/558448922.db2.gz IZVWLYQWLFBFBV-FQEVSTJZSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1 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569164220 /nfs/dbraw/zinc/16/42/20/569164220.db2.gz MNHMMMNLCXYMPT-FQEVSTJZSA-N 1 1 403.570 4.868 50 0 HJAAMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000036389829 569165396 /nfs/dbraw/zinc/16/53/96/569165396.db2.gz JJEGBUXDECEGPF-WMZOPIPTSA-N 1 1 408.477 4.596 50 0 HJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CCC4CCCCC4)CC3)n2)cc1 ZINC000017042548 569272360 /nfs/dbraw/zinc/27/23/60/569272360.db2.gz GWZRIKUWHPSZCR-UHFFFAOYSA-N 1 1 421.589 4.846 50 0 HJAAMO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443991 569285788 /nfs/dbraw/zinc/28/57/88/569285788.db2.gz LNFWCHZNNUOIQJ-MBSDFSHPSA-N 1 1 411.571 4.607 50 0 HJAAMO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443991 569285789 /nfs/dbraw/zinc/28/57/89/569285789.db2.gz LNFWCHZNNUOIQJ-MBSDFSHPSA-N 1 1 411.571 4.607 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](C4CCSCC4)C3)cc2)c1 ZINC000011816380 569363757 /nfs/dbraw/zinc/36/37/57/569363757.db2.gz ZXBVGSCFBUVOJF-HXUWFJFHSA-N 1 1 410.583 4.908 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000079048559 569425343 /nfs/dbraw/zinc/42/53/43/569425343.db2.gz DBNCJVWBZMQYEC-CYBMUJFWSA-N 1 1 424.353 4.668 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000079048569 569425362 /nfs/dbraw/zinc/42/53/62/569425362.db2.gz DBNCJVWBZMQYEC-ZDUSSCGKSA-N 1 1 424.353 4.668 50 0 HJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(=O)OC)C1 ZINC000008793114 571120133 /nfs/dbraw/zinc/12/01/33/571120133.db2.gz SCYSJECTANGSOP-UHFFFAOYSA-N 1 1 419.355 4.533 50 0 HJAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(=O)OC)C1 ZINC000008793114 571120136 /nfs/dbraw/zinc/12/01/36/571120136.db2.gz SCYSJECTANGSOP-UHFFFAOYSA-N 1 1 419.355 4.533 50 0 HJAAMO C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039546202 571132783 /nfs/dbraw/zinc/13/27/83/571132783.db2.gz RJJHXLNMLKKLOQ-JPYJTQIMSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039546201 571132889 /nfs/dbraw/zinc/13/28/89/571132889.db2.gz RJJHXLNMLKKLOQ-MBSDFSHPSA-N 1 1 423.557 4.569 50 0 HJAAMO Fc1ccc(C[N@H+]2CCCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000040024894 571140021 /nfs/dbraw/zinc/14/00/21/571140021.db2.gz LKENYQXLIIFOAL-UHFFFAOYSA-N 1 1 413.500 4.543 50 0 HJAAMO CC[N@@H+](CCCNC(=O)C1=Cc2sc(C)c(C)c2CS1)Cc1ccccc1 ZINC000009211366 571237002 /nfs/dbraw/zinc/23/70/02/571237002.db2.gz QAJGSFXCSFIUBR-UHFFFAOYSA-N 1 1 400.613 4.981 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000010053761 571294584 /nfs/dbraw/zinc/29/45/84/571294584.db2.gz YLGYJELUHPWSDE-VWLOTQADSA-N 1 1 418.537 4.653 50 0 HJAAMO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000004809766 132289142 /nfs/dbraw/zinc/28/91/42/132289142.db2.gz QKEDJPREEDRKHN-UHFFFAOYSA-N 1 1 415.965 4.541 50 0 HJAAMO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044127045 518840681 /nfs/dbraw/zinc/84/06/81/518840681.db2.gz WKOAMSSNOQWQQY-XZOQPEGZSA-N 1 1 410.558 4.619 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 ZINC000032909360 519747256 /nfs/dbraw/zinc/74/72/56/519747256.db2.gz RUMUYTQEGXLOKL-FQEVSTJZSA-N 1 1 409.574 4.854 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 ZINC000032909360 519747259 /nfs/dbraw/zinc/74/72/59/519747259.db2.gz RUMUYTQEGXLOKL-FQEVSTJZSA-N 1 1 409.574 4.854 50 0 HJAAMO CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](CC)C3 ZINC000020058039 520978210 /nfs/dbraw/zinc/97/82/10/520978210.db2.gz HJVZVVYKCAZADH-UHFFFAOYSA-N 1 1 413.612 4.777 50 0 HJAAMO CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](CC)C3 ZINC000020058039 520978217 /nfs/dbraw/zinc/97/82/17/520978217.db2.gz HJVZVVYKCAZADH-UHFFFAOYSA-N 1 1 413.612 4.777 50 0 HJAAMO CCn1nc(C)c(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1C ZINC000020598251 523638048 /nfs/dbraw/zinc/63/80/48/523638048.db2.gz GDEHTWHJEDPQIJ-UHFFFAOYSA-N 1 1 409.622 4.572 50 0 HJAAMO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000032905016 526173374 /nfs/dbraw/zinc/17/33/74/526173374.db2.gz TXQYKVJUNBKCNP-INIZCTEOSA-N 1 1 412.484 4.521 50 0 HJAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000032762395 526580856 /nfs/dbraw/zinc/58/08/56/526580856.db2.gz BJWVBUYXNDLOJD-OAQYLSRUSA-N 1 1 402.519 4.526 50 0 HJAAMO COC(CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)OC ZINC000001447602 557266963 /nfs/dbraw/zinc/26/69/63/557266963.db2.gz XVCAIVNBHGDYFS-UHFFFAOYSA-N 1 1 408.889 4.772 50 0 HJAAMO CCn1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1-c1cccc(Cl)c1 ZINC000034901647 557481501 /nfs/dbraw/zinc/48/15/01/557481501.db2.gz SFMDSTKPZVDOMZ-GOSISDBHSA-N 1 1 422.960 4.742 50 0 HJAAMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004853920 557606633 /nfs/dbraw/zinc/60/66/33/557606633.db2.gz IDNPDJUMNFBNLJ-JWQCQUIFSA-N 1 1 421.504 4.557 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1c[nH]c2ccccc12 ZINC000011661530 558265291 /nfs/dbraw/zinc/26/52/91/558265291.db2.gz GHYWZYDPBVMRSN-IBGZPJMESA-N 1 1 409.961 4.848 50 0 HJAAMO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265659 /nfs/dbraw/zinc/26/56/59/558265659.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265662 /nfs/dbraw/zinc/26/56/62/558265662.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265663 /nfs/dbraw/zinc/26/56/63/558265663.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265665 /nfs/dbraw/zinc/26/56/65/558265665.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 1 1 403.570 4.630 50 0 HJAAMO CCn1c2ccccc2nc1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011663385 558267000 /nfs/dbraw/zinc/26/70/00/558267000.db2.gz DNLBTQCOIICAPP-FQEVSTJZSA-N 1 1 408.565 4.582 50 0 HJAAMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1OC ZINC000011817089 558280466 /nfs/dbraw/zinc/28/04/66/558280466.db2.gz BTYKGJQAOOJFFJ-LBPRGKRZSA-N 1 1 421.875 4.980 50 0 HJAAMO O=C(c1ccc(OC2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1)N1CCCCC1 ZINC000019795207 558284374 /nfs/dbraw/zinc/28/43/74/558284374.db2.gz ZKJRZDADXNKWQX-UHFFFAOYSA-N 1 1 414.496 4.634 50 0 HJAAMO Fc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019800226 558285258 /nfs/dbraw/zinc/28/52/58/558285258.db2.gz ZWCIAOSJKUXWNQ-UHFFFAOYSA-N 1 1 405.542 4.930 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc(Cl)c1O ZINC000011873376 558291273 /nfs/dbraw/zinc/29/12/73/558291273.db2.gz YPAXPFPIUYDQCM-INIZCTEOSA-N 1 1 405.947 4.871 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc(Cl)c1O ZINC000011873376 558291277 /nfs/dbraw/zinc/29/12/77/558291277.db2.gz YPAXPFPIUYDQCM-INIZCTEOSA-N 1 1 405.947 4.871 50 0 HJAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012074691 558319122 /nfs/dbraw/zinc/31/91/22/558319122.db2.gz FSGCQVLKLXITBF-QHCPKHFHSA-N 1 1 415.555 4.565 50 0 HJAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012074691 558319125 /nfs/dbraw/zinc/31/91/25/558319125.db2.gz FSGCQVLKLXITBF-QHCPKHFHSA-N 1 1 415.555 4.565 50 0 HJAAMO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1=O ZINC000012091716 558324453 /nfs/dbraw/zinc/32/44/53/558324453.db2.gz VIRVKVDVDLTSQA-IBGZPJMESA-N 1 1 403.526 4.617 50 0 HJAAMO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)o1 ZINC000012226740 558357114 /nfs/dbraw/zinc/35/71/14/558357114.db2.gz PSONINOZKIRIDP-RUZDIDTESA-N 1 1 410.558 4.678 50 0 HJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012300711 558370600 /nfs/dbraw/zinc/37/06/00/558370600.db2.gz BPOIHWKDOKZBLJ-FQEVSTJZSA-N 1 1 420.532 4.951 50 0 HJAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012306655 558375665 /nfs/dbraw/zinc/37/56/65/558375665.db2.gz FYCOZDXJCRMPHO-QHCPKHFHSA-N 1 1 401.982 4.928 50 0 HJAAMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000020654147 558397868 /nfs/dbraw/zinc/39/78/68/558397868.db2.gz PBOSMPXPWCFFCP-DEOSSOPVSA-N 1 1 409.961 4.856 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431584 558406233 /nfs/dbraw/zinc/40/62/33/558406233.db2.gz CSRBQAUBBXRRDM-KRWDZBQOSA-N 1 1 411.527 4.559 50 0 HJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431584 558406235 /nfs/dbraw/zinc/40/62/35/558406235.db2.gz CSRBQAUBBXRRDM-KRWDZBQOSA-N 1 1 411.527 4.559 50 0 HJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012448949 558415554 /nfs/dbraw/zinc/41/55/54/558415554.db2.gz GZUCERVYAMEPKS-OAQYLSRUSA-N 1 1 413.521 4.692 50 0 HJAAMO COc1ccc(CN2CC[C@@H]([N@@H+](C)CC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012453598 558416357 /nfs/dbraw/zinc/41/63/57/558416357.db2.gz KVERCLHIURHGKV-JHLQHZFVSA-N 1 1 410.602 4.725 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)s1 ZINC000012465896 558420445 /nfs/dbraw/zinc/42/04/45/558420445.db2.gz YBEZNYVKMCJAGV-GOSISDBHSA-N 1 1 421.006 4.827 50 0 HJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1)c1cccc(C(F)(F)F)c1 ZINC000012593056 558436448 /nfs/dbraw/zinc/43/64/48/558436448.db2.gz IYLSPOYYOPBIOQ-MRXNPFEDSA-N 1 1 415.459 4.829 50 0 HJAAMO Cc1ccsc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012713270 558453784 /nfs/dbraw/zinc/45/37/84/558453784.db2.gz ZYFHVVUJNAEANV-NRFANRHFSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1ccsc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012713270 558453785 /nfs/dbraw/zinc/45/37/85/558453785.db2.gz ZYFHVVUJNAEANV-NRFANRHFSA-N 1 1 417.663 4.639 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4nccs4)C3)cc2)c1 ZINC000012751224 558459003 /nfs/dbraw/zinc/45/90/03/558459003.db2.gz JXWYFCGYXGVDBU-IBGZPJMESA-N 1 1 407.539 4.669 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4nccs4)C3)cc2)c1 ZINC000012751224 558459006 /nfs/dbraw/zinc/45/90/06/558459006.db2.gz JXWYFCGYXGVDBU-IBGZPJMESA-N 1 1 407.539 4.669 50 0 HJAAMO C[N@@H+](CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1)Cc1ccccc1 ZINC000012790196 558465189 /nfs/dbraw/zinc/46/51/89/558465189.db2.gz NFKXLVMIHCWAEF-UHFFFAOYSA-N 1 1 413.974 4.644 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000012796054 558468921 /nfs/dbraw/zinc/46/89/21/558468921.db2.gz RYSXJEYLVAPLNE-HSZRJFAPSA-N 1 1 420.513 4.699 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000012978489 558492593 /nfs/dbraw/zinc/49/25/93/558492593.db2.gz GSMXVTNDIPLDCV-UHFFFAOYSA-N 1 1 422.356 4.818 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000012978489 558492595 /nfs/dbraw/zinc/49/25/95/558492595.db2.gz GSMXVTNDIPLDCV-UHFFFAOYSA-N 1 1 422.356 4.818 50 0 HJAAMO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000013102741 558514678 /nfs/dbraw/zinc/51/46/78/558514678.db2.gz LNFWCHZNNUOIQJ-JPYJTQIMSA-N 1 1 411.571 4.607 50 0 HJAAMO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000013102741 558514679 /nfs/dbraw/zinc/51/46/79/558514679.db2.gz LNFWCHZNNUOIQJ-JPYJTQIMSA-N 1 1 411.571 4.607 50 0 HJAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000013212973 558525939 /nfs/dbraw/zinc/52/59/39/558525939.db2.gz RFOPSMHGICGNHZ-VXKWHMMOSA-N 1 1 413.868 4.539 50 0 HJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000013770438 558591751 /nfs/dbraw/zinc/59/17/51/558591751.db2.gz ZXPIQNFUJMPRQO-LPPUWEFUSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000013770438 558591753 /nfs/dbraw/zinc/59/17/53/558591753.db2.gz ZXPIQNFUJMPRQO-LPPUWEFUSA-N 1 1 422.569 4.619 50 0 HJAAMO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](CCCn4cccn4)C3)c2)c1 ZINC000014955509 558682259 /nfs/dbraw/zinc/68/22/59/558682259.db2.gz ZTYBMBLYAWHWJB-HSZRJFAPSA-N 1 1 402.542 4.599 50 0 HJAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029635911 558718133 /nfs/dbraw/zinc/71/81/33/558718133.db2.gz BBWLMALAKKPMPG-UHFFFAOYSA-N 1 1 407.967 4.969 50 0 HJAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1csc(Br)c1 ZINC000030610451 558734152 /nfs/dbraw/zinc/73/41/52/558734152.db2.gz DKEGFQTVSMRPIK-UHFFFAOYSA-N 1 1 400.367 4.595 50 0 HJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1CN1CCOCC1 ZINC000033087067 558760556 /nfs/dbraw/zinc/76/05/56/558760556.db2.gz BZBSEZOIHKBOSM-DEOSSOPVSA-N 1 1 412.549 4.784 50 0 HJAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511254 558793188 /nfs/dbraw/zinc/79/31/88/558793188.db2.gz YGSOXJQNJIVTCR-QGZVFWFLSA-N 1 1 401.308 4.727 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CNCC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000019301056 558866497 /nfs/dbraw/zinc/86/64/97/558866497.db2.gz XWPINEBSCGDCQZ-NRFANRHFSA-N 1 1 422.548 4.569 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CNCC[C@@H]2CCC[N@H+]2C)cc1F ZINC000019301056 558866499 /nfs/dbraw/zinc/86/64/99/558866499.db2.gz XWPINEBSCGDCQZ-NRFANRHFSA-N 1 1 422.548 4.569 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CNCC[C@H]2CCC[N@@H+]2C)cc1F ZINC000019301057 558866539 /nfs/dbraw/zinc/86/65/39/558866539.db2.gz XWPINEBSCGDCQZ-OAQYLSRUSA-N 1 1 422.548 4.569 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CNCC[C@H]2CCC[N@H+]2C)cc1F ZINC000019301057 558866540 /nfs/dbraw/zinc/86/65/40/558866540.db2.gz XWPINEBSCGDCQZ-OAQYLSRUSA-N 1 1 422.548 4.569 50 0 HJAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053421 558870906 /nfs/dbraw/zinc/87/09/06/558870906.db2.gz LXLBVYFWVQXTJA-SFHVURJKSA-N 1 1 420.956 4.580 50 0 HJAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)Cc2cccnc2)CC1 ZINC000055120651 558873274 /nfs/dbraw/zinc/87/32/74/558873274.db2.gz PNQNTXQCKAPKHQ-UHFFFAOYSA-N 1 1 400.570 4.699 50 0 HJAAMO CC(=O)c1cc(CCC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)oc1C ZINC000058156032 558903005 /nfs/dbraw/zinc/90/30/05/558903005.db2.gz SNWGNJVGZWYHGP-HDICACEKSA-N 1 1 410.558 4.518 50 0 HJAAMO Cc1sc2nc(CN3CCC(C)CC3)nc(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000058196677 558910988 /nfs/dbraw/zinc/91/09/88/558910988.db2.gz FWPXIPGOHPKRIA-LJQANCHMSA-N 1 1 415.651 4.682 50 0 HJAAMO C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000072430434 558979410 /nfs/dbraw/zinc/97/94/10/558979410.db2.gz QNXOPYVCGXDNQF-KDURUIRLSA-N 1 1 401.510 4.954 50 0 HJAAMO C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000072430434 558979414 /nfs/dbraw/zinc/97/94/14/558979414.db2.gz QNXOPYVCGXDNQF-KDURUIRLSA-N 1 1 401.510 4.954 50 0 HJAAMO CC(C)n1ccnc1C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072476030 558983762 /nfs/dbraw/zinc/98/37/62/558983762.db2.gz YAQNREUPCWEHQR-UHFFFAOYSA-N 1 1 407.484 4.513 50 0 HJAAMO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+](C)Cc3ccno3)cc12 ZINC000072476447 558983832 /nfs/dbraw/zinc/98/38/32/558983832.db2.gz LBVWDRBRIPANLK-UHFFFAOYSA-N 1 1 403.482 4.847 50 0 HJAAMO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@@H+](C)Cc3ccno3)cc12 ZINC000072476447 558983834 /nfs/dbraw/zinc/98/38/34/558983834.db2.gz LBVWDRBRIPANLK-UHFFFAOYSA-N 1 1 403.482 4.847 50 0 HJAAMO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CCc1ccccn1)C2 ZINC000067804266 558993218 /nfs/dbraw/zinc/99/32/18/558993218.db2.gz SPSZCSVOOOZUMV-UHFFFAOYSA-N 1 1 403.507 4.501 50 0 HJAAMO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](CCc1ccccn1)C2 ZINC000067804266 558993219 /nfs/dbraw/zinc/99/32/19/558993219.db2.gz SPSZCSVOOOZUMV-UHFFFAOYSA-N 1 1 403.507 4.501 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314247 559115871 /nfs/dbraw/zinc/11/58/71/559115871.db2.gz SPOABIBBNIGJLC-BKMJKUGQSA-N 1 1 414.549 4.696 50 0 HJAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1Br ZINC000072303676 559124306 /nfs/dbraw/zinc/12/43/06/559124306.db2.gz JBQSRHKGZACKRP-MRXNPFEDSA-N 1 1 421.766 4.697 50 0 HJAAMO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004979227 559222458 /nfs/dbraw/zinc/22/24/58/559222458.db2.gz BDGAZDVJNRSKHC-JOCHJYFZSA-N 1 1 422.516 4.980 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004979227 559222460 /nfs/dbraw/zinc/22/24/60/559222460.db2.gz BDGAZDVJNRSKHC-JOCHJYFZSA-N 1 1 422.516 4.980 50 0 HJAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@H+]1CCCC[C@H]1C ZINC000248124932 559264818 /nfs/dbraw/zinc/26/48/18/559264818.db2.gz ZXZVLPPWXGZTGL-AUSIDOKSSA-N 1 1 405.542 4.556 50 0 HJAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105051020 560861136 /nfs/dbraw/zinc/86/11/36/560861136.db2.gz PBNHKGZKMXCOHO-REWPJTCUSA-N 1 1 402.941 4.952 50 0 HJAAMO Brc1cccc(-c2c[nH]c(C[NH+]3CCC(Cc4cccnc4)CC3)n2)c1 ZINC000095468644 568625272 /nfs/dbraw/zinc/62/52/72/568625272.db2.gz LDOZMIPBMQCPGT-UHFFFAOYSA-N 1 1 411.347 4.689 50 0 HJAAMO O=C(CC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000020766758 568643283 /nfs/dbraw/zinc/64/32/83/568643283.db2.gz FWPZXXUUTXQDFR-UHFFFAOYSA-N 1 1 415.512 4.542 50 0 HJAAMO O=C(CCc1ccco1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255567 568652539 /nfs/dbraw/zinc/65/25/39/568652539.db2.gz UQCOTWIYZHCAGN-UHFFFAOYSA-N 1 1 414.958 4.939 50 0 HJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460154 568768075 /nfs/dbraw/zinc/76/80/75/568768075.db2.gz LLYIUPRXVAQFCM-AVRDEDQJSA-N 1 1 413.631 4.543 50 0 HJAAMO COc1cccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)c1 ZINC000002637958 568792823 /nfs/dbraw/zinc/79/28/23/568792823.db2.gz QDKZGICMXQZMKI-VWLOTQADSA-N 1 1 414.505 4.976 50 0 HJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F ZINC000057363701 568829169 /nfs/dbraw/zinc/82/91/69/568829169.db2.gz FYCXWLRCHZSNLA-OAHLLOKOSA-N 1 1 409.436 4.506 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000057392031 568831571 /nfs/dbraw/zinc/83/15/71/568831571.db2.gz WTRALMWWKPECQT-XMMPIXPASA-N 1 1 416.550 4.868 50 0 HJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058434668 568918843 /nfs/dbraw/zinc/91/88/43/568918843.db2.gz ZDMCHGBQXPSEAK-YKSBVNFPSA-N 1 1 421.585 4.548 50 0 HJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2)cc1 ZINC000012747164 568932892 /nfs/dbraw/zinc/93/28/92/568932892.db2.gz BLLPSCBQGLAYRK-HSZRJFAPSA-N 1 1 408.885 4.695 50 0 HJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[N@H+](C(C)C)CC2 ZINC000004223480 568952465 /nfs/dbraw/zinc/95/24/65/568952465.db2.gz BVWFKIQTIABYMM-UHFFFAOYSA-N 1 1 414.571 4.851 50 0 HJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[N@@H+](C(C)C)CC2 ZINC000004223480 568952466 /nfs/dbraw/zinc/95/24/66/568952466.db2.gz BVWFKIQTIABYMM-UHFFFAOYSA-N 1 1 414.571 4.851 50 0 HJAAMO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007987145 568965015 /nfs/dbraw/zinc/96/50/15/568965015.db2.gz UKRHIDLFAPLNSM-KRWDZBQOSA-N 1 1 413.315 4.508 50 0 HJAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012876475 569013729 /nfs/dbraw/zinc/01/37/29/569013729.db2.gz UMOBKANSQRMBRX-GFCCVEGCSA-N 1 1 400.828 4.826 50 0 HJAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012876475 569013730 /nfs/dbraw/zinc/01/37/30/569013730.db2.gz UMOBKANSQRMBRX-GFCCVEGCSA-N 1 1 400.828 4.826 50 0 HJAAMO Cc1ccccc1C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)CC(C)C ZINC000035843578 569062492 /nfs/dbraw/zinc/06/24/92/569062492.db2.gz MYGBYWQBNASAOS-QHCPKHFHSA-N 1 1 400.563 4.866 50 0 HJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 ZINC000006606919 569071541 /nfs/dbraw/zinc/07/15/41/569071541.db2.gz OCVQCURVJFSVCE-UHFFFAOYSA-N 1 1 414.962 4.533 50 0 HJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 ZINC000006606919 569071540 /nfs/dbraw/zinc/07/15/40/569071540.db2.gz OCVQCURVJFSVCE-UHFFFAOYSA-N 1 1 414.962 4.533 50 0 HJAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000006913256 569179485 /nfs/dbraw/zinc/17/94/85/569179485.db2.gz PZIKUBBTDJTFBF-LJQANCHMSA-N 1 1 403.570 4.911 50 0 HJAAMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000065184247 569191349 /nfs/dbraw/zinc/19/13/49/569191349.db2.gz GKWOKSRKHWDTPR-UHFFFAOYSA-N 1 1 424.932 4.825 50 0 HJAAMO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@@H]1c1cccc(Cl)c1 ZINC000170612491 569246475 /nfs/dbraw/zinc/24/64/75/569246475.db2.gz IWSCYYQCEPLFNM-SFHVURJKSA-N 1 1 407.695 4.730 50 0 HJAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000000638032 569281781 /nfs/dbraw/zinc/28/17/81/569281781.db2.gz KIYDXTJXEMXNJU-JWQCQUIFSA-N 1 1 422.488 4.808 50 0 HJAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037377696 569289321 /nfs/dbraw/zinc/28/93/21/569289321.db2.gz NQJJDDDGJVGTSE-UHFFFAOYSA-N 1 1 424.932 4.562 50 0 HJAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007647390 569298386 /nfs/dbraw/zinc/29/83/86/569298386.db2.gz SMTQTPHCXLFJLP-NRFANRHFSA-N 1 1 417.578 4.792 50 0 HJAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007647390 569298387 /nfs/dbraw/zinc/29/83/87/569298387.db2.gz SMTQTPHCXLFJLP-NRFANRHFSA-N 1 1 417.578 4.792 50 0 HJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000002250175 569324649 /nfs/dbraw/zinc/32/46/49/569324649.db2.gz IRJGTLBCRVKZEP-JWQCQUIFSA-N 1 1 422.488 4.808 50 0 HJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc2c1 ZINC000007926706 569327291 /nfs/dbraw/zinc/32/72/91/569327291.db2.gz ALTVKQYTTRZLEM-HNNXBMFYSA-N 1 1 412.917 4.969 50 0 HJAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008900176 571143667 /nfs/dbraw/zinc/14/36/67/571143667.db2.gz DAXPUFGYJWEVDT-JOCHJYFZSA-N 1 1 412.580 4.531 50 0 HJAAMO COc1ccccc1[C@@H](CNC(=O)c1oc2cc(C)c(Cl)cc2c1C)[NH+](C)C ZINC000009206441 571236695 /nfs/dbraw/zinc/23/66/95/571236695.db2.gz WGJOOBHPEIXHSB-GOSISDBHSA-N 1 1 400.906 4.744 50 0 HJAAMO COc1ccc(CCC(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022766030 523924014 /nfs/dbraw/zinc/92/40/14/523924014.db2.gz MVDXYMPMVXMZPU-XMMPIXPASA-N 1 1 420.578 4.605 50 0 HJAAMO COc1ccc(CCC(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022766030 523924019 /nfs/dbraw/zinc/92/40/19/523924019.db2.gz MVDXYMPMVXMZPU-XMMPIXPASA-N 1 1 420.578 4.605 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1 ZINC000043071608 524029672 /nfs/dbraw/zinc/02/96/72/524029672.db2.gz NPTDPTNEXCDRKH-INIZCTEOSA-N 1 1 413.468 4.752 50 0 HJAAMO Cc1ccccc1-c1ncc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000020599784 525013900 /nfs/dbraw/zinc/01/39/00/525013900.db2.gz RASOROYACSYFHL-XMMPIXPASA-N 1 1 400.570 4.591 50 0 HJAAMO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019897269 527221181 /nfs/dbraw/zinc/22/11/81/527221181.db2.gz DOMNTEGSINKXIO-UHFFFAOYSA-N 1 1 404.941 4.816 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002255240 557331652 /nfs/dbraw/zinc/33/16/52/557331652.db2.gz SJBGRDLTAGYTNG-ZEQRLZLVSA-N 1 1 410.452 4.938 50 0 HJAAMO OCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 ZINC000002479214 557351412 /nfs/dbraw/zinc/35/14/12/557351412.db2.gz HJUQKIQEFGKYJC-UHFFFAOYSA-N 1 1 410.477 4.811 50 0 HJAAMO Nc1c(C(=O)c2cccs2)sc2nsc(SCC[NH+]3CCCCC3)c12 ZINC000004335481 557543530 /nfs/dbraw/zinc/54/35/30/557543530.db2.gz LRARQKZHFQICOU-UHFFFAOYSA-N 1 1 409.627 4.811 50 0 HJAAMO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265641 /nfs/dbraw/zinc/26/56/41/558265641.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265642 /nfs/dbraw/zinc/26/56/42/558265642.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265644 /nfs/dbraw/zinc/26/56/44/558265644.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265645 /nfs/dbraw/zinc/26/56/45/558265645.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 1 1 403.570 4.630 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)c1 ZINC000011818725 558281803 /nfs/dbraw/zinc/28/18/03/558281803.db2.gz GULNESRGPGIJLW-JOCHJYFZSA-N 1 1 401.510 4.608 50 0 HJAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(OC)c1 ZINC000019792719 558283294 /nfs/dbraw/zinc/28/32/94/558283294.db2.gz APMDJQIIZLKPCH-UHFFFAOYSA-N 1 1 402.494 4.514 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820242 558283776 /nfs/dbraw/zinc/28/37/76/558283776.db2.gz NTEVQWHEWJHGLO-MRXNPFEDSA-N 1 1 414.962 4.746 50 0 HJAAMO COc1ccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)cc1C ZINC000011873106 558290963 /nfs/dbraw/zinc/29/09/63/558290963.db2.gz RQKFMTLACQPSMS-JOCHJYFZSA-N 1 1 412.555 4.974 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C2CCN(C)CC2)cc1F ZINC000011879966 558294767 /nfs/dbraw/zinc/29/47/67/558294767.db2.gz TYBOYMFGJQTLMO-UHFFFAOYSA-N 1 1 422.548 4.521 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C2CC[NH+](C)CC2)cc1F ZINC000011879966 558294770 /nfs/dbraw/zinc/29/47/70/558294770.db2.gz TYBOYMFGJQTLMO-UHFFFAOYSA-N 1 1 422.548 4.521 50 0 HJAAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cnn1C ZINC000011934993 558299182 /nfs/dbraw/zinc/29/91/82/558299182.db2.gz GNIWCZHOCZRCIT-JOCHJYFZSA-N 1 1 402.542 4.555 50 0 HJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000019897381 558303945 /nfs/dbraw/zinc/30/39/45/558303945.db2.gz HNOYLMATJGHBLU-UHFFFAOYSA-N 1 1 415.562 4.634 50 0 HJAAMO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019900046 558304770 /nfs/dbraw/zinc/30/47/70/558304770.db2.gz PUGGWXMOLSNJTN-UHFFFAOYSA-N 1 1 421.972 4.948 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000011998586 558307654 /nfs/dbraw/zinc/30/76/54/558307654.db2.gz USXFBWXBMWBADK-KRWDZBQOSA-N 1 1 416.949 4.988 50 0 HJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000020208565 558347126 /nfs/dbraw/zinc/34/71/26/558347126.db2.gz IBBBFVSKOAGFBQ-QGZVFWFLSA-N 1 1 411.452 4.521 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012195618 558349377 /nfs/dbraw/zinc/34/93/77/558349377.db2.gz NESFIPBVVKVOMY-FQEVSTJZSA-N 1 1 408.517 4.989 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1OC ZINC000012199759 558351035 /nfs/dbraw/zinc/35/10/35/558351035.db2.gz ZWHSCZUSQVQZOJ-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1OC ZINC000012199759 558351036 /nfs/dbraw/zinc/35/10/36/558351036.db2.gz ZWHSCZUSQVQZOJ-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)o1 ZINC000012226746 558357041 /nfs/dbraw/zinc/35/70/41/558357041.db2.gz PSONINOZKIRIDP-VWLOTQADSA-N 1 1 410.558 4.678 50 0 HJAAMO CSc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012302895 558372595 /nfs/dbraw/zinc/37/25/95/558372595.db2.gz BJXUSHOXYPQHRI-LJQANCHMSA-N 1 1 406.555 4.649 50 0 HJAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000012317906 558381047 /nfs/dbraw/zinc/38/10/47/558381047.db2.gz YKOKHINEZYKUNZ-GOSISDBHSA-N 1 1 417.956 4.567 50 0 HJAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000012317906 558381051 /nfs/dbraw/zinc/38/10/51/558381051.db2.gz YKOKHINEZYKUNZ-GOSISDBHSA-N 1 1 417.956 4.567 50 0 HJAAMO Cc1cccnc1C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000020513753 558382777 /nfs/dbraw/zinc/38/27/77/558382777.db2.gz RLQNNVFNHRGVSV-UHFFFAOYSA-N 1 1 423.564 4.765 50 0 HJAAMO Cc1cccnc1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000020513753 558382779 /nfs/dbraw/zinc/38/27/79/558382779.db2.gz RLQNNVFNHRGVSV-UHFFFAOYSA-N 1 1 423.564 4.765 50 0 HJAAMO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387797 558396729 /nfs/dbraw/zinc/39/67/29/558396729.db2.gz HLKLBSYWVLWJNX-DEOSSOPVSA-N 1 1 417.509 4.876 50 0 HJAAMO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387797 558396731 /nfs/dbraw/zinc/39/67/31/558396731.db2.gz HLKLBSYWVLWJNX-DEOSSOPVSA-N 1 1 417.509 4.876 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000012387799 558396756 /nfs/dbraw/zinc/39/67/56/558396756.db2.gz RHVHUEROIBGXJT-OAQYLSRUSA-N 1 1 403.526 4.754 50 0 HJAAMO CN(C(=O)c1ccc2cccc(F)c2n1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012465379 558420205 /nfs/dbraw/zinc/42/02/05/558420205.db2.gz JTHCCHVOLJLUOW-OAQYLSRUSA-N 1 1 405.517 4.543 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC2CCOCC2)c(F)c1 ZINC000012714432 558454433 /nfs/dbraw/zinc/45/44/33/558454433.db2.gz SKBQQHCZOHGRCU-UHFFFAOYSA-N 1 1 409.505 4.545 50 0 HJAAMO O=C(c1cccc2cccnc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022069647 558461400 /nfs/dbraw/zinc/46/14/00/558461400.db2.gz ASJWDCAJXFCDFU-UHFFFAOYSA-N 1 1 407.517 4.782 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012797205 558469857 /nfs/dbraw/zinc/46/98/57/558469857.db2.gz UBZAMTITGVDGTF-JOCHJYFZSA-N 1 1 422.960 4.709 50 0 HJAAMO Cc1ccc(C)c(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022276342 558475560 /nfs/dbraw/zinc/47/55/60/558475560.db2.gz HOEWPCJSDUCOCZ-UHFFFAOYSA-N 1 1 414.549 4.616 50 0 HJAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@@H](C)O1 ZINC000025080983 558630935 /nfs/dbraw/zinc/63/09/35/558630935.db2.gz WSDUDPYGJOQHTF-IAGOWNOFSA-N 1 1 407.539 4.672 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)CCCNC(=O)c1ccsc1)C1CCCCC1 ZINC000025154777 558632903 /nfs/dbraw/zinc/63/29/03/558632903.db2.gz MGONVDNDAZDZRX-UHFFFAOYSA-N 1 1 413.587 4.661 50 0 HJAAMO Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000028711981 558703999 /nfs/dbraw/zinc/70/39/99/558703999.db2.gz FRKXOBMDEXCHHD-SFHVURJKSA-N 1 1 409.505 4.757 50 0 in-vitro HJAAMO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000015062718 558705616 /nfs/dbraw/zinc/70/56/16/558705616.db2.gz UMBHYSZTGSWGLI-UHFFFAOYSA-N 1 1 418.541 4.619 50 0 HJAAMO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000015062718 558705619 /nfs/dbraw/zinc/70/56/19/558705619.db2.gz UMBHYSZTGSWGLI-UHFFFAOYSA-N 1 1 418.541 4.619 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1F ZINC000015070339 558712398 /nfs/dbraw/zinc/71/23/98/558712398.db2.gz RLJJAHOLCUPTLB-QGZVFWFLSA-N 1 1 418.940 4.796 50 0 HJAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310109 558731607 /nfs/dbraw/zinc/73/16/07/558731607.db2.gz OQIMFYMOSACETL-OXJNMPFZSA-N 1 1 414.933 4.516 50 0 HJAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310109 558731609 /nfs/dbraw/zinc/73/16/09/558731609.db2.gz OQIMFYMOSACETL-OXJNMPFZSA-N 1 1 414.933 4.516 50 0 HJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860515 558758387 /nfs/dbraw/zinc/75/83/87/558758387.db2.gz LCZASQIOYWIHAU-FQEVSTJZSA-N 1 1 422.525 4.514 50 0 HJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860517 558758420 /nfs/dbraw/zinc/75/84/20/558758420.db2.gz WEZDWBWYWZHIHK-IBGZPJMESA-N 1 1 422.525 4.514 50 0 HJAAMO Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305301 558760160 /nfs/dbraw/zinc/76/01/60/558760160.db2.gz UTNYFCMHJPYVOA-HSZRJFAPSA-N 1 1 423.004 4.847 50 0 HJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1CN1CCOCC1 ZINC000033087065 558760629 /nfs/dbraw/zinc/76/06/29/558760629.db2.gz DRGPSXAPPNAWPC-NRFANRHFSA-N 1 1 400.588 4.706 50 0 HJAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018122471 558831582 /nfs/dbraw/zinc/83/15/82/558831582.db2.gz DIYTZBFIDBBZGQ-FQEVSTJZSA-N 1 1 417.336 4.580 50 0 HJAAMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000018284204 558835364 /nfs/dbraw/zinc/83/53/64/558835364.db2.gz VEHRVMOQEXMZCT-UHFFFAOYSA-N 1 1 419.575 4.977 50 0 HJAAMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000018284204 558835367 /nfs/dbraw/zinc/83/53/67/558835367.db2.gz VEHRVMOQEXMZCT-UHFFFAOYSA-N 1 1 419.575 4.977 50 0 HJAAMO O[C@@H](CNCC1([NH+]2CCCCC2)CCCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000019360360 558876127 /nfs/dbraw/zinc/87/61/27/558876127.db2.gz UJFBNOXTOHJJBD-VWLOTQADSA-N 1 1 422.613 4.872 50 0 HJAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1cccc(F)c1 ZINC000055343090 558879725 /nfs/dbraw/zinc/87/97/25/558879725.db2.gz MIGOMXHXKUFBTM-KRWDZBQOSA-N 1 1 401.489 4.936 50 0 HJAAMO CN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019418959 558885379 /nfs/dbraw/zinc/88/53/79/558885379.db2.gz ZEWQUBUPAILYHI-UHFFFAOYSA-N 1 1 407.505 4.946 50 0 fda HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000033059968 558954234 /nfs/dbraw/zinc/95/42/34/558954234.db2.gz ZECAXFBXPCKYJN-MRXNPFEDSA-N 1 1 410.587 4.698 50 0 HJAAMO O=C([C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745299 559046483 /nfs/dbraw/zinc/04/64/83/559046483.db2.gz ODUNYMWXZWSHFD-AREMUKBSSA-N 1 1 404.598 4.813 50 0 HJAAMO CC(C)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000004874012 559194887 /nfs/dbraw/zinc/19/48/87/559194887.db2.gz JQQJJQKUYUITOD-AREMUKBSSA-N 1 1 424.560 4.711 50 0 HJAAMO CC(C)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000004874008 559194934 /nfs/dbraw/zinc/19/49/34/559194934.db2.gz JQQJJQKUYUITOD-SANMLTNESA-N 1 1 424.560 4.711 50 0 HJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938507 559211497 /nfs/dbraw/zinc/21/14/97/559211497.db2.gz KBQSNNCVJNKFHP-AWEZNQCLSA-N 1 1 401.963 4.955 50 0 HJAAMO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004979229 559222446 /nfs/dbraw/zinc/22/24/46/559222446.db2.gz BDGAZDVJNRSKHC-QFIPXVFZSA-N 1 1 422.516 4.980 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004979229 559222447 /nfs/dbraw/zinc/22/24/47/559222447.db2.gz BDGAZDVJNRSKHC-QFIPXVFZSA-N 1 1 422.516 4.980 50 0 HJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132520 559249689 /nfs/dbraw/zinc/24/96/89/559249689.db2.gz FFCZIEWQNHGNQP-CALCHBBNSA-N 1 1 423.582 4.786 50 0 HJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCc3ccccc3CO)c2c1C ZINC000062580177 559272913 /nfs/dbraw/zinc/27/29/13/559272913.db2.gz YSRFJJSTCRKGEU-UHFFFAOYSA-N 1 1 410.587 4.644 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051851 560837025 /nfs/dbraw/zinc/83/70/25/560837025.db2.gz YXVFQXNSKOUGRN-AFMDSPMNSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051851 560837027 /nfs/dbraw/zinc/83/70/27/560837027.db2.gz YXVFQXNSKOUGRN-AFMDSPMNSA-N 1 1 424.585 4.662 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)C[C@H]2C)c1 ZINC000105373817 560871352 /nfs/dbraw/zinc/87/13/52/560871352.db2.gz LIJUVLVUENDGRW-JNHPGVOLSA-N 1 1 422.613 4.964 50 0 biogenic HJAAMO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907791 568416152 /nfs/dbraw/zinc/41/61/52/568416152.db2.gz CPCODUCNHPYYQP-JOCHJYFZSA-N 1 1 406.551 4.676 50 0 HJAAMO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907791 568416153 /nfs/dbraw/zinc/41/61/53/568416153.db2.gz CPCODUCNHPYYQP-JOCHJYFZSA-N 1 1 406.551 4.676 50 0 HJAAMO COc1cc(C[NH2+][C@@H](C)c2ccccc2Br)cc(OC)c1OC(F)F ZINC000022777787 568499530 /nfs/dbraw/zinc/49/95/30/568499530.db2.gz QNBVUDQYBYYCEX-NSHDSACASA-N 1 1 416.262 4.919 50 0 HJAAMO COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140104 568511463 /nfs/dbraw/zinc/51/14/63/568511463.db2.gz AQKZJMFESRHNJF-UHFFFAOYSA-N 1 1 401.466 4.633 50 0 HJAAMO COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140104 568511464 /nfs/dbraw/zinc/51/14/64/568511464.db2.gz AQKZJMFESRHNJF-UHFFFAOYSA-N 1 1 401.466 4.633 50 0 HJAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c1C ZINC000020192880 568593629 /nfs/dbraw/zinc/59/36/29/568593629.db2.gz QPMRIGGEHMPDDV-QFIPXVFZSA-N 1 1 423.582 4.855 50 0 HJAAMO COc1ccc(NC(=S)NC[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1Cl ZINC000020734819 568641238 /nfs/dbraw/zinc/64/12/38/568641238.db2.gz HACPGQGICGCOGG-HOTGVXAUSA-N 1 1 403.979 4.718 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000021527971 568709595 /nfs/dbraw/zinc/70/95/95/568709595.db2.gz WPERIQUIOOMHQT-HSZRJFAPSA-N 1 1 403.570 4.531 50 0 HJAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3ccccc3F)c[nH]c21 ZINC000096275908 568714775 /nfs/dbraw/zinc/71/47/75/568714775.db2.gz RDRAPWKEYCNCCR-OAQYLSRUSA-N 1 1 407.533 4.556 50 0 HJAAMO C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015940 568823278 /nfs/dbraw/zinc/82/32/78/568823278.db2.gz KIHKEBIYSKTKBZ-WMZHIEFXSA-N 1 1 420.582 4.822 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccnc2Nc2cccc(F)c2)cc1F ZINC000063109528 568824402 /nfs/dbraw/zinc/82/44/02/568824402.db2.gz YVYXGPONJWBXAW-UHFFFAOYSA-N 1 1 419.435 4.528 50 0 HJAAMO O=C(C1CC[NH+](Cn2c(=S)oc3cc(Cl)ccc32)CC1)N1CCCCCC1 ZINC000012543743 568849153 /nfs/dbraw/zinc/84/91/53/568849153.db2.gz ZDIRWNLBDIJGGJ-UHFFFAOYSA-N 1 1 407.967 4.689 50 0 HJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000029973777 568854305 /nfs/dbraw/zinc/85/43/05/568854305.db2.gz ZOTDAPMEELAHGW-UHFFFAOYSA-N 1 1 406.555 4.542 50 0 HJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000029973777 568854306 /nfs/dbraw/zinc/85/43/06/568854306.db2.gz ZOTDAPMEELAHGW-UHFFFAOYSA-N 1 1 406.555 4.542 50 0 HJAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)/C=C/c2cccc(Cl)c2Cl)c1 ZINC000030585081 568873235 /nfs/dbraw/zinc/87/32/35/568873235.db2.gz BWAQJWYTQINSJA-CMDGGOBGSA-N 1 1 400.309 4.876 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384821 568893144 /nfs/dbraw/zinc/89/31/44/568893144.db2.gz IHYLSDNEOHHCAD-LBPRGKRZSA-N 1 1 400.828 4.826 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384821 568893145 /nfs/dbraw/zinc/89/31/45/568893145.db2.gz IHYLSDNEOHHCAD-LBPRGKRZSA-N 1 1 400.828 4.826 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1Cc1cn2c(nnc2-c2ccc(Br)cc2)s1 ZINC000004107102 568909487 /nfs/dbraw/zinc/90/94/87/568909487.db2.gz FDYBHQHENKZHSI-HNNXBMFYSA-N 1 1 405.365 4.985 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000005043954 568969010 /nfs/dbraw/zinc/96/90/10/568969010.db2.gz MFMHHJWWDUFITB-IIBYNOLFSA-N 1 1 413.537 4.696 50 0 HJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2)C1 ZINC000005044119 568969020 /nfs/dbraw/zinc/96/90/20/568969020.db2.gz YUSOYVMUJWMIFM-FQEVSTJZSA-N 1 1 423.944 4.832 50 0 HJAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000005044312 568969040 /nfs/dbraw/zinc/96/90/40/568969040.db2.gz WSQFNOPRZMBKCQ-JOCHJYFZSA-N 1 1 417.553 4.795 50 0 HJAAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2ccccc2c1 ZINC000008127312 568974730 /nfs/dbraw/zinc/97/47/30/568974730.db2.gz VDSIPRVOJIRJBX-UHFFFAOYSA-N 1 1 415.537 4.583 50 0 HJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2ccccc2c1 ZINC000008127312 568974732 /nfs/dbraw/zinc/97/47/32/568974732.db2.gz VDSIPRVOJIRJBX-UHFFFAOYSA-N 1 1 415.537 4.583 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000008188076 568980671 /nfs/dbraw/zinc/98/06/71/568980671.db2.gz MJNUYNBAJBHWDK-RSXGOPAZSA-N 1 1 405.538 4.603 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012904841 569021149 /nfs/dbraw/zinc/02/11/49/569021149.db2.gz FTSGKYREYSFCLA-HSZRJFAPSA-N 1 1 402.523 4.560 50 0 HJAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1C(F)(F)F ZINC000012926885 569023859 /nfs/dbraw/zinc/02/38/59/569023859.db2.gz IGFHYHPKZHFKMD-UHFFFAOYSA-N 1 1 420.431 4.817 50 0 HJAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+](C)C1CCCCC1)C[C@@H](C)CC2 ZINC000015911528 569029774 /nfs/dbraw/zinc/02/97/74/569029774.db2.gz JAENTPXHDYDHRN-LSDHHAIUSA-N 1 1 406.592 4.641 50 0 HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000245311111 569055720 /nfs/dbraw/zinc/05/57/20/569055720.db2.gz MKTCJRDZURCFKV-DFCKQENNSA-N 1 1 422.569 4.619 50 0 HJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000035844823 569062556 /nfs/dbraw/zinc/06/25/56/569062556.db2.gz MNYOBQUUTSFHGF-UHFFFAOYSA-N 1 1 420.528 4.963 50 0 HJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000035844823 569062557 /nfs/dbraw/zinc/06/25/57/569062557.db2.gz MNYOBQUUTSFHGF-UHFFFAOYSA-N 1 1 420.528 4.963 50 0 HJAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCCC3)n2)cc1 ZINC000064800928 569097528 /nfs/dbraw/zinc/09/75/28/569097528.db2.gz WYKNNAXLYIQVKL-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036316330 569135070 /nfs/dbraw/zinc/13/50/70/569135070.db2.gz VCJMYBZUMZJUFX-LJQANCHMSA-N 1 1 405.542 4.820 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345436 569143187 /nfs/dbraw/zinc/14/31/87/569143187.db2.gz CCAPKJMAQNIRID-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345436 569143188 /nfs/dbraw/zinc/14/31/88/569143188.db2.gz CCAPKJMAQNIRID-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346149 569143546 /nfs/dbraw/zinc/14/35/46/569143546.db2.gz XYRKBAAGZYHGMB-QFIPXVFZSA-N 1 1 423.557 4.501 50 0 HJAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346149 569143547 /nfs/dbraw/zinc/14/35/47/569143547.db2.gz XYRKBAAGZYHGMB-QFIPXVFZSA-N 1 1 423.557 4.501 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348552 569144520 /nfs/dbraw/zinc/14/45/20/569144520.db2.gz DCPPGEOULBBBDE-QHCPKHFHSA-N 1 1 406.526 4.818 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348552 569144521 /nfs/dbraw/zinc/14/45/21/569144521.db2.gz DCPPGEOULBBBDE-QHCPKHFHSA-N 1 1 406.526 4.818 50 0 HJAAMO O=C(Nc1cccc2c1CCCC2)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877324 569164005 /nfs/dbraw/zinc/16/40/05/569164005.db2.gz UJJAPNKOJKCKIU-UHFFFAOYSA-N 1 1 403.570 4.868 50 0 HJAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000036389828 569165462 /nfs/dbraw/zinc/16/54/62/569165462.db2.gz JJEGBUXDECEGPF-AEFFLSMTSA-N 1 1 408.477 4.596 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935706 569186371 /nfs/dbraw/zinc/18/63/71/569186371.db2.gz BGQQNANNZKZEIH-QGZVFWFLSA-N 1 1 414.981 4.534 50 0 HJAAMO CCO[C@H](C)c1nc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@H]32)cs1 ZINC000252671074 569319388 /nfs/dbraw/zinc/31/93/88/569319388.db2.gz MPPZIXAFTCORID-LLLQWQLGSA-N 1 1 421.651 4.925 50 0 HJAAMO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008900173 571143762 /nfs/dbraw/zinc/14/37/62/571143762.db2.gz DAXPUFGYJWEVDT-QFIPXVFZSA-N 1 1 412.580 4.531 50 0 HJAAMO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000245328773 571225501 /nfs/dbraw/zinc/22/55/01/571225501.db2.gz PNJWCAYMOOHPGG-CJFMBICVSA-N 1 1 419.569 4.864 50 0 HJAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139668 571295467 /nfs/dbraw/zinc/29/54/67/571295467.db2.gz ATZAERAJYBBRSF-UHFFFAOYSA-N 1 1 411.933 4.956 50 0 HJAAMO Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)c1 ZINC000032931691 524153734 /nfs/dbraw/zinc/15/37/34/524153734.db2.gz NYDIYPPXKLKEPW-ZPHJMFTNSA-N 1 1 409.505 4.599 50 0 HJAAMO Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)c1 ZINC000032931691 524153741 /nfs/dbraw/zinc/15/37/41/524153741.db2.gz NYDIYPPXKLKEPW-ZPHJMFTNSA-N 1 1 409.505 4.599 50 0 HJAAMO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000002493014 557352395 /nfs/dbraw/zinc/35/23/95/557352395.db2.gz QRRBVSHUWZGZDW-JOCHJYFZSA-N 1 1 419.550 4.559 50 0 HJAAMO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000002493014 557352400 /nfs/dbraw/zinc/35/24/00/557352400.db2.gz QRRBVSHUWZGZDW-JOCHJYFZSA-N 1 1 419.550 4.559 50 0 HJAAMO Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034680513 557382250 /nfs/dbraw/zinc/38/22/50/557382250.db2.gz OAOZBHOGVADRJD-UHFFFAOYSA-N 1 1 424.566 4.756 50 0 HJAAMO O=C(NC1CCCCC1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684590 557387713 /nfs/dbraw/zinc/38/77/13/557387713.db2.gz QDDXLSVKGUTZNC-UHFFFAOYSA-N 1 1 411.977 4.725 50 0 HJAAMO Cc1cccc([C@H]2C[C@@H](C(=O)N(C)Cc3ccco3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733609 557440466 /nfs/dbraw/zinc/44/04/66/557440466.db2.gz JXVDYIUTUARZIA-BJKOFHAPSA-N 1 1 402.538 4.852 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000005065770 557633805 /nfs/dbraw/zinc/63/38/05/557633805.db2.gz IKCGWVUTHIGBAR-RTWAWAEBSA-N 1 1 402.454 4.691 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@H](c3cccs3)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000002707234 557744112 /nfs/dbraw/zinc/74/41/12/557744112.db2.gz LMVQSYZTBOVYKZ-VXKWHMMOSA-N 1 1 416.481 5.000 50 0 HJAAMO CCN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664354 558267886 /nfs/dbraw/zinc/26/78/86/558267886.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 1 1 412.528 4.618 50 0 HJAAMO CCN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011664354 558267887 /nfs/dbraw/zinc/26/78/87/558267887.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 1 1 412.528 4.618 50 0 HJAAMO CCN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664354 558267888 /nfs/dbraw/zinc/26/78/88/558267888.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 1 1 412.528 4.618 50 0 HJAAMO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000011705163 558270681 /nfs/dbraw/zinc/27/06/81/558270681.db2.gz BKMLTSCUMQSIFE-QFIPXVFZSA-N 1 1 400.538 4.620 50 0 HJAAMO Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000011705163 558270684 /nfs/dbraw/zinc/27/06/84/558270684.db2.gz BKMLTSCUMQSIFE-QFIPXVFZSA-N 1 1 400.538 4.620 50 0 HJAAMO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1=O ZINC000011878530 558293166 /nfs/dbraw/zinc/29/31/66/558293166.db2.gz ABZHYZFGMOHIPZ-IBGZPJMESA-N 1 1 419.525 4.743 50 0 HJAAMO Cc1c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cnn1C ZINC000011934994 558299202 /nfs/dbraw/zinc/29/92/02/558299202.db2.gz GNIWCZHOCZRCIT-QFIPXVFZSA-N 1 1 402.542 4.555 50 0 HJAAMO CCCn1ncc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1C ZINC000011937952 558301389 /nfs/dbraw/zinc/30/13/89/558301389.db2.gz ZRALWIYWJVBEFS-UHFFFAOYSA-N 1 1 409.622 4.653 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1)Nc1ccccc1F ZINC000011953905 558303216 /nfs/dbraw/zinc/30/32/16/558303216.db2.gz XHWGRJZHRIZPRI-QGZVFWFLSA-N 1 1 412.534 4.704 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cccc(F)c1 ZINC000011999698 558307944 /nfs/dbraw/zinc/30/79/44/558307944.db2.gz ZMGPFTYJCVHBQL-GOSISDBHSA-N 1 1 422.466 4.871 50 0 HJAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000012004195 558308955 /nfs/dbraw/zinc/30/89/55/558308955.db2.gz NDLQZMOWIZDLMQ-JOCHJYFZSA-N 1 1 405.542 4.884 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1 ZINC000012054778 558315323 /nfs/dbraw/zinc/31/53/23/558315323.db2.gz PCHUHBVDXQZFAH-UHFFFAOYSA-N 1 1 424.472 4.619 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccn4)C3)cc2)c1 ZINC000012305686 558374682 /nfs/dbraw/zinc/37/46/82/558374682.db2.gz WCWHTZGVLCPBEI-OAQYLSRUSA-N 1 1 401.510 4.608 50 0 HJAAMO COCc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000012308820 558376909 /nfs/dbraw/zinc/37/69/09/558376909.db2.gz PZIKTDPCBQCKTC-QFIPXVFZSA-N 1 1 411.590 4.868 50 0 HJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012447306 558414649 /nfs/dbraw/zinc/41/46/49/558414649.db2.gz FRAVETKUSZUPLO-GOSISDBHSA-N 1 1 421.566 4.902 50 0 HJAAMO CN(C(=O)c1ccc2cccc(F)c2n1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012465383 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/nfs/dbraw/zinc/06/26/39/569062639.db2.gz WAOFAAFIOZFKTM-HNNXBMFYSA-N 1 1 409.917 4.946 50 0 HJAAMO CCc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064800889 569097628 /nfs/dbraw/zinc/09/76/28/569097628.db2.gz SMZCKMVHTOVVGB-UHFFFAOYSA-N 1 1 401.514 4.944 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000036303761 569128768 /nfs/dbraw/zinc/12/87/68/569128768.db2.gz WWONNBIFSIGJFQ-MRXNPFEDSA-N 1 1 411.933 4.972 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000036303761 569128769 /nfs/dbraw/zinc/12/87/69/569128769.db2.gz WWONNBIFSIGJFQ-MRXNPFEDSA-N 1 1 411.933 4.972 50 0 HJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306660 569129379 /nfs/dbraw/zinc/12/93/79/569129379.db2.gz UMUQMVUXXXSGJM-GOSISDBHSA-N 1 1 411.521 4.857 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)CC ZINC000036306262 569129807 /nfs/dbraw/zinc/12/98/07/569129807.db2.gz KBTJDHGSQKFLCA-HXUWFJFHSA-N 1 1 423.557 4.871 50 0 HJAAMO CCCC[N@@H+](CCCn1cnc2c3ccc(OC)cc3[nH]c2c1=O)Cc1ccccc1 ZINC000006809330 569133347 /nfs/dbraw/zinc/13/33/47/569133347.db2.gz JTRVRMMOVSQIFM-UHFFFAOYSA-N 1 1 418.541 4.579 50 0 HJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344735 569142881 /nfs/dbraw/zinc/14/28/81/569142881.db2.gz VUZNZWUUJTVQJI-XMMPIXPASA-N 1 1 423.532 4.777 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346027 569143551 /nfs/dbraw/zinc/14/35/51/569143551.db2.gz KZIQXMXKIATIMU-FQEVSTJZSA-N 1 1 409.505 4.847 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346028 569143601 /nfs/dbraw/zinc/14/36/01/569143601.db2.gz KZIQXMXKIATIMU-HXUWFJFHSA-N 1 1 409.505 4.847 50 0 HJAAMO O=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065062998 569166890 /nfs/dbraw/zinc/16/68/90/569166890.db2.gz NEFFZGLUTFCSQK-UHFFFAOYSA-N 1 1 422.554 4.556 50 0 HJAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000013322779 569254924 /nfs/dbraw/zinc/25/49/24/569254924.db2.gz LRQNXURAMHIYLA-UHFFFAOYSA-N 1 1 416.363 4.922 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000638037 569281778 /nfs/dbraw/zinc/28/17/78/569281778.db2.gz FDQINJWNCGYVAS-RPWUZVMVSA-N 1 1 410.452 4.938 50 0 HJAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000000638026 569281789 /nfs/dbraw/zinc/28/17/89/569281789.db2.gz KIYDXTJXEMXNJU-RPBOFIJWSA-N 1 1 422.488 4.808 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@@H]2C)c1 ZINC000252693334 569320055 /nfs/dbraw/zinc/32/00/55/569320055.db2.gz CMTQZHTYEISAFS-VTXTWCOWSA-N 1 1 420.597 4.740 50 0 biogenic HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002247189 569324338 /nfs/dbraw/zinc/32/43/38/569324338.db2.gz SBXYGTTZCWHMPV-DHIUTWEWSA-N 1 1 414.415 4.769 50 0 HJAAMO CCCC[N@@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000027531044 569366443 /nfs/dbraw/zinc/36/64/43/569366443.db2.gz PYKXGEOTEPTVBG-UHFFFAOYSA-N 1 1 417.600 4.892 50 0 HJAAMO CCCC[N@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000027531044 569366445 /nfs/dbraw/zinc/36/64/45/569366445.db2.gz PYKXGEOTEPTVBG-UHFFFAOYSA-N 1 1 417.600 4.892 50 0 HJAAMO CCOc1cc([C@H]2[NH2+]Cc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O ZINC000055028076 569375791 /nfs/dbraw/zinc/37/57/91/569375791.db2.gz OXCXEWMONGDTMR-XMMPIXPASA-N 1 1 408.498 4.572 50 0 HJAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002417589 569397462 /nfs/dbraw/zinc/39/74/62/569397462.db2.gz CGUVAVYGSRWKBY-DNQXCXABSA-N 1 1 410.452 4.938 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008879941 571131351 /nfs/dbraw/zinc/13/13/51/571131351.db2.gz WLEQXMRNLFYWNA-FQEVSTJZSA-N 1 1 423.513 4.880 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008879941 571131354 /nfs/dbraw/zinc/13/13/54/571131354.db2.gz WLEQXMRNLFYWNA-FQEVSTJZSA-N 1 1 423.513 4.880 50 0 HJAAMO C[C@@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039546204 571132787 /nfs/dbraw/zinc/13/27/87/571132787.db2.gz RJJHXLNMLKKLOQ-WZONZLPQSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039546203 571132846 /nfs/dbraw/zinc/13/28/46/571132846.db2.gz RJJHXLNMLKKLOQ-FDDCHVKYSA-N 1 1 423.557 4.569 50 0 HJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001447635 132246305 /nfs/dbraw/zinc/24/63/05/132246305.db2.gz MGBCTJNNPXMSMB-ROUUACIJSA-N 1 1 414.509 4.710 50 0 HJAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000001447662 132246318 /nfs/dbraw/zinc/24/63/18/132246318.db2.gz HFDQYYVFVKIRDR-IRXDYDNUSA-N 1 1 402.473 4.840 50 0 HJAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004980882 132297685 /nfs/dbraw/zinc/29/76/85/132297685.db2.gz CRUIWARUSIKWIS-UHFFFAOYSA-N 1 1 402.538 4.987 50 0 HJAAMO O=C(NCc1ccccc1)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668639 132793771 /nfs/dbraw/zinc/79/37/71/132793771.db2.gz SNQITTYDRZZWJK-UHFFFAOYSA-N 1 1 419.956 4.592 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)[C@H](C)c1cccc(OC)c1 ZINC000032927264 520358378 /nfs/dbraw/zinc/35/83/78/520358378.db2.gz MRGNOKYUCXZIRA-OAHLLOKOSA-N 1 1 405.336 4.788 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)[C@H](C)c1cccc(OC)c1 ZINC000032927264 520358387 /nfs/dbraw/zinc/35/83/87/520358387.db2.gz MRGNOKYUCXZIRA-OAHLLOKOSA-N 1 1 405.336 4.788 50 0 HJAAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1Cl ZINC000040047569 522083828 /nfs/dbraw/zinc/08/38/28/522083828.db2.gz NWEFIXPIUWHVQA-OXQOHEQNSA-N 1 1 418.990 4.644 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)n1c2ccccc2oc1=O ZINC000032904229 526164814 /nfs/dbraw/zinc/16/48/14/526164814.db2.gz SFQGGHWTKBHFSZ-QGZVFWFLSA-N 1 1 407.514 4.559 50 0 HJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635857 557029437 /nfs/dbraw/zinc/02/94/37/557029437.db2.gz TUPLZYHCEXMIBU-JWQCQUIFSA-N 1 1 422.488 4.808 50 0 HJAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000002493016 557352310 /nfs/dbraw/zinc/35/23/10/557352310.db2.gz QRRBVSHUWZGZDW-QFIPXVFZSA-N 1 1 419.550 4.559 50 0 HJAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000002493016 557352316 /nfs/dbraw/zinc/35/23/16/557352316.db2.gz QRRBVSHUWZGZDW-QFIPXVFZSA-N 1 1 419.550 4.559 50 0 HJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671562 557363091 /nfs/dbraw/zinc/36/30/91/557363091.db2.gz MIZVBTIPDSXVGS-RXFWQSSRSA-N 1 1 414.549 4.738 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000002707232 557744139 /nfs/dbraw/zinc/74/41/39/557744139.db2.gz LMVQSYZTBOVYKZ-FCHUYYIVSA-N 1 1 416.481 5.000 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCc3ccccn3)c(C)o2)cc1 ZINC000011661834 558265607 /nfs/dbraw/zinc/26/56/07/558265607.db2.gz SRBKNHAWHLPDFT-JOCHJYFZSA-N 1 1 419.525 4.819 50 0 HJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)o1 ZINC000011784342 558275571 /nfs/dbraw/zinc/27/55/71/558275571.db2.gz GZBKCEZTIHFZNB-OAQYLSRUSA-N 1 1 418.522 4.695 50 0 HJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)o1 ZINC000011784342 558275575 /nfs/dbraw/zinc/27/55/75/558275575.db2.gz GZBKCEZTIHFZNB-OAQYLSRUSA-N 1 1 418.522 4.695 50 0 HJAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4OC4CCCC4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000011816328 558279780 /nfs/dbraw/zinc/27/97/80/558279780.db2.gz AIKJMHJFYSQVDY-CZZAQMAHSA-N 1 1 420.553 4.847 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000011817703 558280845 /nfs/dbraw/zinc/28/08/45/558280845.db2.gz YRLPVSZNSVYTCB-IBGZPJMESA-N 1 1 412.961 4.851 50 0 HJAAMO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019794394 558283814 /nfs/dbraw/zinc/28/38/14/558283814.db2.gz IGYZHDPQSNFKIF-UHFFFAOYSA-N 1 1 414.505 4.674 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1 ZINC000019865229 558298806 /nfs/dbraw/zinc/29/88/06/558298806.db2.gz NPTDPTNEXCDRKH-MRXNPFEDSA-N 1 1 413.468 4.752 50 0 HJAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000011999442 558307903 /nfs/dbraw/zinc/30/79/03/558307903.db2.gz IQKRQTUTTKSUCU-UHFFFAOYSA-N 1 1 413.945 4.931 50 0 HJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000130 558308178 /nfs/dbraw/zinc/30/81/78/558308178.db2.gz DCSUAZBNECOHOS-INIZCTEOSA-N 1 1 421.557 4.853 50 0 HJAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000130 558308179 /nfs/dbraw/zinc/30/81/79/558308179.db2.gz DCSUAZBNECOHOS-INIZCTEOSA-N 1 1 421.557 4.853 50 0 HJAAMO CCOCc1cc(C[N@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)ccc1OC ZINC000012074075 558318880 /nfs/dbraw/zinc/31/88/80/558318880.db2.gz VYFUTFOEZCNQRH-SANMLTNESA-N 1 1 411.586 4.829 50 0 HJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000020208569 558347089 /nfs/dbraw/zinc/34/70/89/558347089.db2.gz IBBBFVSKOAGFBQ-KRWDZBQOSA-N 1 1 411.452 4.521 50 0 HJAAMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020408352 558360687 /nfs/dbraw/zinc/36/06/87/558360687.db2.gz CIMIVOGGBDINIC-JOCHJYFZSA-N 1 1 414.549 4.696 50 0 HJAAMO CC(C)C[N@H+](C)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000012243944 558360867 /nfs/dbraw/zinc/36/08/67/558360867.db2.gz DLDPJJRLOFDYCC-UHFFFAOYSA-N 1 1 401.967 4.696 50 0 HJAAMO CC(C)C[N@@H+](C)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000012243944 558360869 /nfs/dbraw/zinc/36/08/69/558360869.db2.gz DLDPJJRLOFDYCC-UHFFFAOYSA-N 1 1 401.967 4.696 50 0 HJAAMO CC[N@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000020454778 558368590 /nfs/dbraw/zinc/36/85/90/558368590.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 1 1 420.576 4.788 50 0 HJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020454778 558368598 /nfs/dbraw/zinc/36/85/98/558368598.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 1 1 420.576 4.788 50 0 HJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020454778 558368600 /nfs/dbraw/zinc/36/86/00/558368600.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 1 1 420.576 4.788 50 0 HJAAMO CN(C(=O)c1csc(Cc2ccccc2)n1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012300360 558370386 /nfs/dbraw/zinc/37/03/86/558370386.db2.gz XZNNXAOVIBNUDG-QFIPXVFZSA-N 1 1 419.594 4.513 50 0 HJAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)c1 ZINC000012304897 558373906 /nfs/dbraw/zinc/37/39/06/558373906.db2.gz MVVBQPCIUZXHRV-AREMUKBSSA-N 1 1 419.569 4.519 50 0 HJAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000012305584 558374690 /nfs/dbraw/zinc/37/46/90/558374690.db2.gz JJIFHOXPBIOBGL-LJQANCHMSA-N 1 1 406.452 4.619 50 0 HJAAMO C[C@@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316967 558380303 /nfs/dbraw/zinc/38/03/03/558380303.db2.gz BXHMBZBIGLORHP-QGZVFWFLSA-N 1 1 422.960 4.561 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316967 558380304 /nfs/dbraw/zinc/38/03/04/558380304.db2.gz BXHMBZBIGLORHP-QGZVFWFLSA-N 1 1 422.960 4.561 50 0 HJAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022930698 558397220 /nfs/dbraw/zinc/39/72/20/558397220.db2.gz ASYUXXGLQZRXHH-UHFFFAOYSA-N 1 1 415.537 4.625 50 0 HJAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccccc4Cl)CC3)on2)c1 ZINC000012431379 558405982 /nfs/dbraw/zinc/40/59/82/558405982.db2.gz CUOJFTZGMUHYCG-UHFFFAOYSA-N 1 1 412.917 4.573 50 0 HJAAMO C=Cc1ccc(C(=O)N(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)cc1 ZINC000012439334 558410792 /nfs/dbraw/zinc/41/07/92/558410792.db2.gz GYBSSQCOHZSJCR-QHCPKHFHSA-N 1 1 406.570 4.755 50 0 HJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000012457188 558417767 /nfs/dbraw/zinc/41/77/67/558417767.db2.gz RZPSLOYOQIWZIG-INIZCTEOSA-N 1 1 421.463 4.503 50 0 HJAAMO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022466340 558491072 /nfs/dbraw/zinc/49/10/72/558491072.db2.gz FGFVLFHLCOYXPJ-UHFFFAOYSA-N 1 1 404.941 4.930 50 0 HJAAMO C[N@@H+](CCc1cn[nH]c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000023338178 558550017 /nfs/dbraw/zinc/55/00/17/558550017.db2.gz WOKFBIRJSGLBMD-UHFFFAOYSA-N 1 1 411.509 4.742 50 0 HJAAMO Cc1cccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000004455056 558589924 /nfs/dbraw/zinc/58/99/24/558589924.db2.gz PFSAEXNFZWQAIO-QHCPKHFHSA-N 1 1 400.563 4.866 50 0 HJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000013770434 558591664 /nfs/dbraw/zinc/59/16/64/558591664.db2.gz ZXPIQNFUJMPRQO-RMUDUWAUSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000013770434 558591668 /nfs/dbraw/zinc/59/16/68/558591668.db2.gz ZXPIQNFUJMPRQO-RMUDUWAUSA-N 1 1 422.569 4.619 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662577 558606707 /nfs/dbraw/zinc/60/67/07/558606707.db2.gz YQYSVNDBCLPLCT-CQSZACIVSA-N 1 1 419.403 4.545 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662577 558606711 /nfs/dbraw/zinc/60/67/11/558606711.db2.gz YQYSVNDBCLPLCT-CQSZACIVSA-N 1 1 419.403 4.545 50 0 HJAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000025047055 558628266 /nfs/dbraw/zinc/62/82/66/558628266.db2.gz AHRDPABQLIJWJE-AWEZNQCLSA-N 1 1 419.447 4.627 50 0 HJAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2cc1Cl ZINC000025421831 558640403 /nfs/dbraw/zinc/64/04/03/558640403.db2.gz HXMYLYIOBQUYMC-LJQANCHMSA-N 1 1 411.885 4.863 50 0 HJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2cc1Cl ZINC000025421831 558640405 /nfs/dbraw/zinc/64/04/05/558640405.db2.gz HXMYLYIOBQUYMC-LJQANCHMSA-N 1 1 411.885 4.863 50 0 HJAAMO COc1cccc(C[N@@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 ZINC000014888991 558678032 /nfs/dbraw/zinc/67/80/32/558678032.db2.gz DDXYXFZMYPEUDX-UHFFFAOYSA-N 1 1 405.494 4.774 50 0 HJAAMO COc1cccc(C[N@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 ZINC000014888991 558678035 /nfs/dbraw/zinc/67/80/35/558678035.db2.gz DDXYXFZMYPEUDX-UHFFFAOYSA-N 1 1 405.494 4.774 50 0 HJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962884 558684610 /nfs/dbraw/zinc/68/46/10/558684610.db2.gz LKMMZWUUJAUBMC-QHCPKHFHSA-N 1 1 416.613 4.782 50 0 HJAAMO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014981738 558692121 /nfs/dbraw/zinc/69/21/21/558692121.db2.gz ZUGMCMYGRXNLHH-KNQAVFIVSA-N 1 1 400.925 4.648 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075105 558715583 /nfs/dbraw/zinc/71/55/83/558715583.db2.gz BOBUSJGJJBRHIF-ZZNNXKBLSA-N 1 1 418.516 4.684 50 0 HJAAMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000033087227 558760752 /nfs/dbraw/zinc/76/07/52/558760752.db2.gz MVQHNCAOLJNIBO-FQEVSTJZSA-N 1 1 416.949 4.720 50 0 HJAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000033087226 558760761 /nfs/dbraw/zinc/76/07/61/558760761.db2.gz MVQHNCAOLJNIBO-HXUWFJFHSA-N 1 1 416.949 4.720 50 0 HJAAMO COc1cccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH+]c3n2[C@H](C)CCC3)c1 ZINC000034919267 558787585 /nfs/dbraw/zinc/78/75/85/558787585.db2.gz AUUFLAAZDKVEHW-XMSQKQJNSA-N 1 1 403.526 4.627 50 0 HJAAMO C[C@@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000055326568 558879256 /nfs/dbraw/zinc/87/92/56/558879256.db2.gz LFQAIFKTKDXZKN-SFHVURJKSA-N 1 1 400.588 4.844 50 0 HJAAMO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358538 558879982 /nfs/dbraw/zinc/87/99/82/558879982.db2.gz ZUNNFIIFFBAUJM-SFHVURJKSA-N 1 1 401.489 4.970 50 0 HJAAMO Cc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358538 558879984 /nfs/dbraw/zinc/87/99/84/558879984.db2.gz ZUNNFIIFFBAUJM-SFHVURJKSA-N 1 1 401.489 4.970 50 0 HJAAMO CCc1ccc2c(C[N@@H+](C)Cc3ccc(OC(F)F)c(OC)c3)cc(=O)oc2c1 ZINC000058131669 558900462 /nfs/dbraw/zinc/90/04/62/558900462.db2.gz MLKQZDRVYJBDRU-UHFFFAOYSA-N 1 1 403.425 4.597 50 0 HJAAMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158045 558903589 /nfs/dbraw/zinc/90/35/89/558903589.db2.gz DYZQQHXIDHBYBB-XDHUDOTRSA-N 1 1 408.929 4.905 50 0 HJAAMO CC(=O)NC1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000071763422 558910358 /nfs/dbraw/zinc/91/03/58/558910358.db2.gz VOBOHKTZOAUTPB-UHFFFAOYSA-N 1 1 405.498 4.543 50 0 HJAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)c1 ZINC000019535808 558913736 /nfs/dbraw/zinc/91/37/36/558913736.db2.gz MFNHSKYNIIABEO-XMMPIXPASA-N 1 1 420.988 4.675 50 0 HJAAMO FC(F)(F)c1cccc(Cc2noc(CN3CCC[N@H+](C4CCCCC4)CC3)n2)c1 ZINC000019635755 558947430 /nfs/dbraw/zinc/94/74/30/558947430.db2.gz MWYTVUVROHEBCU-UHFFFAOYSA-N 1 1 422.495 4.520 50 0 HJAAMO CC1(C)C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072407883 558977154 /nfs/dbraw/zinc/97/71/54/558977154.db2.gz QMKAXVZNOBTEJG-UHFFFAOYSA-N 1 1 401.510 4.955 50 0 HJAAMO CC1(C)C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072407883 558977157 /nfs/dbraw/zinc/97/71/57/558977157.db2.gz QMKAXVZNOBTEJG-UHFFFAOYSA-N 1 1 401.510 4.955 50 0 HJAAMO C[N@@H+](CCC(C)(C)O)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000072473201 558983477 /nfs/dbraw/zinc/98/34/77/558983477.db2.gz JTPCTMXTJRAEQO-UHFFFAOYSA-N 1 1 403.526 4.937 50 0 HJAAMO COc1ccccc1/C=C\C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033417627 559167698 /nfs/dbraw/zinc/16/76/98/559167698.db2.gz JKLFYHRRSWKLMW-MSUUIHNZSA-N 1 1 412.533 4.642 50 0 HJAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000005053758 559238941 /nfs/dbraw/zinc/23/89/41/559238941.db2.gz MCZWQRPBPUICEI-DHIUTWEWSA-N 1 1 414.415 4.769 50 0 HJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000102755253 560825882 /nfs/dbraw/zinc/82/58/82/560825882.db2.gz ARYCMISIZKOYJP-AKIFATBCSA-N 1 1 416.924 4.786 50 0 HJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000102755253 560825884 /nfs/dbraw/zinc/82/58/84/560825884.db2.gz ARYCMISIZKOYJP-AKIFATBCSA-N 1 1 416.924 4.786 50 0 HJAAMO CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107076447 560895223 /nfs/dbraw/zinc/89/52/23/560895223.db2.gz SAMLGIHCWFIGND-UTKZUKDTSA-N 1 1 410.518 4.554 50 0 HJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000006857685 568461882 /nfs/dbraw/zinc/46/18/82/568461882.db2.gz SXXWAQLEOGYOSO-OAQYLSRUSA-N 1 1 405.523 4.744 50 0 HJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000006857685 568461884 /nfs/dbraw/zinc/46/18/84/568461884.db2.gz SXXWAQLEOGYOSO-OAQYLSRUSA-N 1 1 405.523 4.744 50 0 HJAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1C ZINC000020192878 568593572 /nfs/dbraw/zinc/59/35/72/568593572.db2.gz SJWVXNOEGXRROR-OAQYLSRUSA-N 1 1 409.555 4.547 50 0 HJAAMO O=C(Nc1cccc(C[N@H+](CCO)C2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000095453822 568615995 /nfs/dbraw/zinc/61/59/95/568615995.db2.gz OGWNGWJBVSKAAP-UHFFFAOYSA-N 1 1 407.341 4.983 50 0 HJAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000225497673 568643549 /nfs/dbraw/zinc/64/35/49/568643549.db2.gz LHACUERKTLIFIV-IBGZPJMESA-N 1 1 418.944 4.500 50 0 HJAAMO Cc1ccccc1Cn1cc(CCC(=O)NCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000021527979 568709642 /nfs/dbraw/zinc/70/96/42/568709642.db2.gz SGKJSPWNJRYJFW-JOCHJYFZSA-N 1 1 417.597 4.921 50 0 HJAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3ccccc3F)c[nH]c21 ZINC000096275907 568714786 /nfs/dbraw/zinc/71/47/86/568714786.db2.gz RDRAPWKEYCNCCR-NRFANRHFSA-N 1 1 407.533 4.556 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@@H](C)C(C)C)cc1 ZINC000096280026 568717841 /nfs/dbraw/zinc/71/78/41/568717841.db2.gz YPFOFADEDULNQX-ROUUACIJSA-N 1 1 401.551 4.648 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@@H](C)C(C)C)cc1 ZINC000096280026 568717843 /nfs/dbraw/zinc/71/78/43/568717843.db2.gz YPFOFADEDULNQX-ROUUACIJSA-N 1 1 401.551 4.648 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323649 568732726 /nfs/dbraw/zinc/73/27/26/568732726.db2.gz CKAXHCPVYPUNOS-HNNXBMFYSA-N 1 1 412.921 4.829 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323681 568732732 /nfs/dbraw/zinc/73/27/32/568732732.db2.gz PWMUMIYNABPKIP-INIZCTEOSA-N 1 1 410.493 4.705 50 0 HJAAMO Cc1cc(NC(=O)N2CCC(C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)ccc1Br ZINC000021718254 568750472 /nfs/dbraw/zinc/75/04/72/568750472.db2.gz CKTOXNXAOAMHSD-IYBDPMFKSA-N 1 1 422.411 4.979 50 0 HJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021794086 568753449 /nfs/dbraw/zinc/75/34/49/568753449.db2.gz DXIAHYFDBCZARO-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(N(C)C)[nH+]1 ZINC000021794086 568753450 /nfs/dbraw/zinc/75/34/50/568753450.db2.gz DXIAHYFDBCZARO-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F ZINC000057363700 568829034 /nfs/dbraw/zinc/82/90/34/568829034.db2.gz FYCXWLRCHZSNLA-HNNXBMFYSA-N 1 1 409.436 4.506 50 0 HJAAMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057405931 568832788 /nfs/dbraw/zinc/83/27/88/568832788.db2.gz ACBAQSNJBWUMHR-GJZGRUSLSA-N 1 1 422.356 4.508 50 0 HJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)c2cccs2)cc1 ZINC000057435569 568836719 /nfs/dbraw/zinc/83/67/19/568836719.db2.gz HSKZZEBIQIYIAY-QHCPKHFHSA-N 1 1 408.523 4.536 50 0 HJAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000057541915 568852639 /nfs/dbraw/zinc/85/26/39/568852639.db2.gz WNSLIMGFTPLIKP-LJQANCHMSA-N 1 1 414.299 4.901 50 0 HJAAMO CC[N@@H+](C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21)C[C@@](C)(O)c1ccccc1 ZINC000004028574 568934131 /nfs/dbraw/zinc/93/41/31/568934131.db2.gz JTMYRQKZNPTWKI-VCQLRLJDSA-N 1 1 411.586 4.674 50 0 biogenic HJAAMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000008092391 568973386 /nfs/dbraw/zinc/97/33/86/568973386.db2.gz USDLJIOINXJISF-UHFFFAOYSA-N 1 1 410.436 4.573 50 0 HJAAMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000008092391 568973388 /nfs/dbraw/zinc/97/33/88/568973388.db2.gz USDLJIOINXJISF-UHFFFAOYSA-N 1 1 410.436 4.573 50 0 HJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCc3ccccc32)s1 ZINC000015732281 568982020 /nfs/dbraw/zinc/98/20/20/568982020.db2.gz JGDTUBONJYTMEP-UHFFFAOYSA-N 1 1 417.578 4.621 50 0 HJAAMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000008428665 569002424 /nfs/dbraw/zinc/00/24/24/569002424.db2.gz YKQSXFIQAKGJNY-UHFFFAOYSA-N 1 1 400.544 4.571 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC(C)C)cc1 ZINC000035509810 569041771 /nfs/dbraw/zinc/04/17/71/569041771.db2.gz BASHPUCYEXNBOO-UHFFFAOYSA-N 1 1 418.566 4.785 50 0 HJAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(Br)ccc1F ZINC000013012059 569050523 /nfs/dbraw/zinc/05/05/23/569050523.db2.gz VNYDKPZMRRWDPK-UHFFFAOYSA-N 1 1 412.328 4.673 50 0 HJAAMO C[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000241965643 569054969 /nfs/dbraw/zinc/05/49/69/569054969.db2.gz UUSIQWHBTMBJTG-XUZZJYLKSA-N 1 1 408.542 5.272 50 0 HJAAMO C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000241965643 569054970 /nfs/dbraw/zinc/05/49/70/569054970.db2.gz UUSIQWHBTMBJTG-XUZZJYLKSA-N 1 1 408.542 5.272 50 0 HJAAMO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000006496388 569061379 /nfs/dbraw/zinc/06/13/79/569061379.db2.gz BLMHFKJPWAWPAV-MFWYUJQYSA-N 1 1 417.593 4.952 50 0 HJAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096161 569089695 /nfs/dbraw/zinc/08/96/95/569089695.db2.gz QOLSOHYZQZUKFD-HXUWFJFHSA-N 1 1 421.965 4.645 50 0 HJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)Cc2ccccc2)c1 ZINC000036103921 569092355 /nfs/dbraw/zinc/09/23/55/569092355.db2.gz ODDGZYUHKUONEK-DEOSSOPVSA-N 1 1 403.522 4.638 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CC ZINC000036303918 569128870 /nfs/dbraw/zinc/12/88/70/569128870.db2.gz NTJHESNTZPHXBW-NRFANRHFSA-N 1 1 423.557 4.965 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)CC ZINC000036305899 569129667 /nfs/dbraw/zinc/12/96/67/569129667.db2.gz BRMKHORCCGRWRQ-FQEVSTJZSA-N 1 1 423.557 4.871 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](C)O ZINC000036316430 569135278 /nfs/dbraw/zinc/13/52/78/569135278.db2.gz QYTYNPYDLIEVEP-LJQANCHMSA-N 1 1 423.557 4.828 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341137 569141833 /nfs/dbraw/zinc/14/18/33/569141833.db2.gz JVOFKSZIEKOQNO-JOCHJYFZSA-N 1 1 411.933 4.512 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3F)C2)cc1C ZINC000036341480 569141906 /nfs/dbraw/zinc/14/19/06/569141906.db2.gz PJDJEKWJDOESIH-XMMPIXPASA-N 1 1 407.533 4.852 50 0 HJAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000036403488 569172657 /nfs/dbraw/zinc/17/26/57/569172657.db2.gz OQIMFYMOSACETL-JXFKEZNVSA-N 1 1 414.933 4.516 50 0 HJAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000036403488 569172658 /nfs/dbraw/zinc/17/26/58/569172658.db2.gz OQIMFYMOSACETL-JXFKEZNVSA-N 1 1 414.933 4.516 50 0 HJAAMO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007018561 569201318 /nfs/dbraw/zinc/20/13/18/569201318.db2.gz WUWXCSPHYOISLM-UHFFFAOYSA-N 1 1 416.481 4.994 50 0 HJAAMO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007018561 569201320 /nfs/dbraw/zinc/20/13/20/569201320.db2.gz WUWXCSPHYOISLM-UHFFFAOYSA-N 1 1 416.481 4.994 50 0 HJAAMO CCC(CC)C(=O)Nc1ccc(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000524731781 569212459 /nfs/dbraw/zinc/21/24/59/569212459.db2.gz KLHZOSIDWUWTNQ-FQEVSTJZSA-N 1 1 424.541 4.570 50 0 biogenic HJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000065322212 569224415 /nfs/dbraw/zinc/22/44/15/569224415.db2.gz DURWPHSKLQTBQB-UHFFFAOYSA-N 1 1 406.530 4.693 50 0 HJAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000065322359 569224533 /nfs/dbraw/zinc/22/45/33/569224533.db2.gz KWBAYKIRNLCCGW-UHFFFAOYSA-N 1 1 420.557 4.840 50 0 HJAAMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@H]3C[N@H+]2C1 ZINC000252441286 569285756 /nfs/dbraw/zinc/28/57/56/569285756.db2.gz NEMWYOKGHGSVSC-XKRPXALSSA-N 1 1 415.662 4.563 50 0 biogenic HJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c2ccccc2)cc1 ZINC000007606425 569295174 /nfs/dbraw/zinc/29/51/74/569295174.db2.gz WPBDKNVLMQCNAY-QPPBQGQZSA-N 1 1 406.551 4.799 50 0 HJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC)c(C)c1OC)[NH2+]C2 ZINC000055028116 569375741 /nfs/dbraw/zinc/37/57/41/569375741.db2.gz ZZIFCXXKAJOHTN-XMMPIXPASA-N 1 1 422.525 4.793 50 0 HJAAMO O=c1c(Cl)c(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cnn1-c1ccccc1 ZINC000008725297 571108167 /nfs/dbraw/zinc/10/81/67/571108167.db2.gz HXBHBJTXVXZCDP-UHFFFAOYSA-N 1 1 405.889 4.706 50 0 HJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccc3Cl)n2)cc1 ZINC000009364625 571251798 /nfs/dbraw/zinc/25/17/98/571251798.db2.gz GEAMKANJVLOGFM-ZDUSSCGKSA-N 1 1 401.919 4.761 50 0 HJAAMO CC(=O)Nc1cccc([C@@H](C)[N@H+](CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 ZINC000032909361 519745911 /nfs/dbraw/zinc/74/59/11/519745911.db2.gz RUMUYTQEGXLOKL-HXUWFJFHSA-N 1 1 409.574 4.854 50 0 HJAAMO CC(=O)Nc1cccc([C@@H](C)[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 ZINC000032909361 519745912 /nfs/dbraw/zinc/74/59/12/519745912.db2.gz RUMUYTQEGXLOKL-HXUWFJFHSA-N 1 1 409.574 4.854 50 0 HJAAMO COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022766033 523923581 /nfs/dbraw/zinc/92/35/81/523923581.db2.gz MVDXYMPMVXMZPU-DEOSSOPVSA-N 1 1 420.578 4.605 50 0 HJAAMO COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022766033 523923587 /nfs/dbraw/zinc/92/35/87/523923587.db2.gz MVDXYMPMVXMZPU-DEOSSOPVSA-N 1 1 420.578 4.605 50 0 HJAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)c1CO2 ZINC000032920492 526137447 /nfs/dbraw/zinc/13/74/47/526137447.db2.gz HXQPOAQEYZUZAR-UHFFFAOYSA-N 1 1 419.525 4.573 50 0 HJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000032825193 526168670 /nfs/dbraw/zinc/16/86/70/526168670.db2.gz WUBRCSXAYRZBNX-UHFFFAOYSA-N 1 1 416.294 4.515 50 0 HJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000032825193 526168676 /nfs/dbraw/zinc/16/86/76/526168676.db2.gz WUBRCSXAYRZBNX-UHFFFAOYSA-N 1 1 416.294 4.515 50 0 HJAAMO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004307643 536876765 /nfs/dbraw/zinc/87/67/65/536876765.db2.gz DCHKDBWXHMQSIQ-UHFFFAOYSA-N 1 1 406.501 4.736 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccccc3F)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000002917724 557426761 /nfs/dbraw/zinc/42/67/61/557426761.db2.gz BUONHBQGPCMUIN-ZEQRLZLVSA-N 1 1 410.452 4.938 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000005065775 557633912 /nfs/dbraw/zinc/63/39/12/557633912.db2.gz IKCGWVUTHIGBAR-NHCUHLMSSA-N 1 1 402.454 4.691 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000011662274 558266229 /nfs/dbraw/zinc/26/62/29/558266229.db2.gz OEDFLGRUIRBTKL-FQEVSTJZSA-N 1 1 423.988 4.858 50 0 HJAAMO CCN(Cc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011708130 558270739 /nfs/dbraw/zinc/27/07/39/558270739.db2.gz OHQBJNFGLRJNBY-NRFANRHFSA-N 1 1 422.548 4.652 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000011711498 558271392 /nfs/dbraw/zinc/27/13/92/558271392.db2.gz RXRWSDXYHZNELW-SQUITACLSA-N 1 1 402.460 4.861 50 0 HJAAMO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnc(C)nc4)C3)c2)c1 ZINC000011754145 558272877 /nfs/dbraw/zinc/27/28/77/558272877.db2.gz LXEXWXCHFIMAMY-QHCPKHFHSA-N 1 1 400.526 4.611 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011769595 558274348 /nfs/dbraw/zinc/27/43/48/558274348.db2.gz ZYQKQIGNJRYHJT-FQEVSTJZSA-N 1 1 407.533 4.724 50 0 HJAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@](CO)(Cc4ccc(F)cc4F)C3)cn2)c1 ZINC000011816408 558279881 /nfs/dbraw/zinc/27/98/81/558279881.db2.gz BJIALZRZTNBOPI-VWLOTQADSA-N 1 1 423.507 4.547 50 0 HJAAMO Cc1c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1cccc(F)c1 ZINC000011817811 558280903 /nfs/dbraw/zinc/28/09/03/558280903.db2.gz OFFVAGDRJPBWDL-LJQANCHMSA-N 1 1 406.549 4.678 50 0 HJAAMO Clc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3n2)cc1Cl ZINC000019799747 558285366 /nfs/dbraw/zinc/28/53/66/558285366.db2.gz QYZBWHBNUGCZGC-UHFFFAOYSA-N 1 1 415.324 4.595 50 0 HJAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000011841152 558286918 /nfs/dbraw/zinc/28/69/18/558286918.db2.gz TVNMSSLSKPYRBT-LJQANCHMSA-N 1 1 407.539 4.669 50 0 HJAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000019839863 558293681 /nfs/dbraw/zinc/29/36/81/558293681.db2.gz SDCZWPXSVIYVMO-JOCHJYFZSA-N 1 1 405.542 4.939 50 0 HJAAMO COc1ccccc1C(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842722 558294623 /nfs/dbraw/zinc/29/46/23/558294623.db2.gz RVAKAVGOYPBWLZ-UHFFFAOYSA-N 1 1 402.563 4.778 50 0 HJAAMO CCn1c2ccccc2c2cc(CN3CCC([NH+]4C[C@@H](C)O[C@H](C)C4)CC3)ccc21 ZINC000019889041 558302407 /nfs/dbraw/zinc/30/24/07/558302407.db2.gz OCQAVVZNWYMGNQ-WOJBJXKFSA-N 1 1 405.586 4.888 50 0 HJAAMO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019907552 558305952 /nfs/dbraw/zinc/30/59/52/558305952.db2.gz OWPRFPQPQRTAEZ-UHFFFAOYSA-N 1 1 414.505 4.592 50 0 HJAAMO c1cncc(CN(Cc2ccc3nonc3c2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012075287 558319373 /nfs/dbraw/zinc/31/93/73/558319373.db2.gz HOTPJMJTTJXBRJ-JOCHJYFZSA-N 1 1 419.573 4.665 50 0 HJAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012076144 558319838 /nfs/dbraw/zinc/31/98/38/558319838.db2.gz GECMJDPEIQMKID-UHFFFAOYSA-N 1 1 403.505 4.742 50 0 HJAAMO O=C(Cc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509525 558381968 /nfs/dbraw/zinc/38/19/68/558381968.db2.gz KAWKCDWMVKIQFM-UHFFFAOYSA-N 1 1 404.941 4.816 50 0 HJAAMO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012373644 558390787 /nfs/dbraw/zinc/39/07/87/558390787.db2.gz GMANLRFSQPXFSL-UHFFFAOYSA-N 1 1 413.493 4.939 50 0 HJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc1CO ZINC000012432394 558406751 /nfs/dbraw/zinc/40/67/51/558406751.db2.gz HYMWUKLCZHYRMM-GOSISDBHSA-N 1 1 401.934 4.634 50 0 HJAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@H]1CCc1ccccc1)N1CCCC1 ZINC000012445072 558413447 /nfs/dbraw/zinc/41/34/47/558413447.db2.gz DOFNBLMYXBHVHS-FQEVSTJZSA-N 1 1 422.598 4.619 50 0 HJAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000020996546 558427123 /nfs/dbraw/zinc/42/71/23/558427123.db2.gz XYAYSEJMLGKFSS-UHFFFAOYSA-N 1 1 409.537 4.771 50 0 HJAAMO COc1ccc(-n2cc(C[NH2+]Cc3cc(C)no3)c(-c3ccccc3Cl)n2)cc1 ZINC000020996660 558427218 /nfs/dbraw/zinc/42/72/18/558427218.db2.gz PWQCPLPVULZATE-UHFFFAOYSA-N 1 1 408.889 4.788 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1)c1cccc(C(F)(F)F)c1 ZINC000012593053 558436358 /nfs/dbraw/zinc/43/63/58/558436358.db2.gz IYLSPOYYOPBIOQ-INIZCTEOSA-N 1 1 415.459 4.829 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000012595168 558437373 /nfs/dbraw/zinc/43/73/73/558437373.db2.gz DVGNCKKBGAAUMN-JOCHJYFZSA-N 1 1 409.574 4.730 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(Cl)c1OC ZINC000012613060 558439230 /nfs/dbraw/zinc/43/92/30/558439230.db2.gz XSYFWWJHPHLXNN-QFIPXVFZSA-N 1 1 424.368 4.828 50 0 HJAAMO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)c1OC ZINC000012705459 558449859 /nfs/dbraw/zinc/44/98/59/558449859.db2.gz RJBTXFXBFHBHSH-LBPRGKRZSA-N 1 1 421.875 4.980 50 0 HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000013769881 558591770 /nfs/dbraw/zinc/59/17/70/558591770.db2.gz QMRMWHQBABTUIB-HDYLNDSGSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000013769881 558591773 /nfs/dbraw/zinc/59/17/73/558591773.db2.gz QMRMWHQBABTUIB-HDYLNDSGSA-N 1 1 422.569 4.619 50 0 HJAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1 ZINC000014956360 558682497 /nfs/dbraw/zinc/68/24/97/558682497.db2.gz UNSNOSHSSLHROC-UHFFFAOYSA-N 1 1 422.554 4.545 50 0 HJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962888 558684541 /nfs/dbraw/zinc/68/45/41/558684541.db2.gz LKMMZWUUJAUBMC-HSZRJFAPSA-N 1 1 416.613 4.782 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCCC1 ZINC000014978599 558690261 /nfs/dbraw/zinc/69/02/61/558690261.db2.gz RICOZIVKAWUCGL-LJQANCHMSA-N 1 1 410.524 4.999 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(Cl)c1O ZINC000014981220 558691683 /nfs/dbraw/zinc/69/16/83/558691683.db2.gz OVBISOLVANUAGL-SFHVURJKSA-N 1 1 417.933 4.936 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(Cl)c1O ZINC000014981220 558691684 /nfs/dbraw/zinc/69/16/84/558691684.db2.gz OVBISOLVANUAGL-SFHVURJKSA-N 1 1 417.933 4.936 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000004553970 558720963 /nfs/dbraw/zinc/72/09/63/558720963.db2.gz VWFZDOLUABDDFU-INIZCTEOSA-N 1 1 406.349 4.706 50 0 HJAAMO COc1ccc(Br)cc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000244778752 558784778 /nfs/dbraw/zinc/78/47/78/558784778.db2.gz PVWSCJXHSRLQEG-PZJWPPBQSA-N 1 1 407.396 4.687 50 0 HJAAMO COc1cccc([C@H](CC(=O)NCc2ccccc2)c2c[nH+]c3n2[C@H](C)CCC3)c1 ZINC000034919261 558787588 /nfs/dbraw/zinc/78/75/88/558787588.db2.gz AUUFLAAZDKVEHW-GCJKJVERSA-N 1 1 403.526 4.627 50 0 HJAAMO Cc1ccccc1C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)C1CC1 ZINC000035843659 558795441 /nfs/dbraw/zinc/79/54/41/558795441.db2.gz MEJKFQMAGRIVPM-JOCHJYFZSA-N 1 1 400.975 4.887 50 0 HJAAMO C[N@@H+](CCc1cn[nH]c1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000019218237 558851000 /nfs/dbraw/zinc/85/10/00/558851000.db2.gz VMFBSHNTXLTKJB-UHFFFAOYSA-N 1 1 409.896 4.729 50 0 HJAAMO Cc1c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000019223526 558852301 /nfs/dbraw/zinc/85/23/01/558852301.db2.gz GUTBCWSWTOJUFP-SFHVURJKSA-N 1 1 424.539 4.817 50 0 HJAAMO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000058175426 558909132 /nfs/dbraw/zinc/90/91/32/558909132.db2.gz HXZMDUBNCIFUPB-AWEZNQCLSA-N 1 1 402.441 4.686 50 0 HJAAMO c1ccc(Oc2cccc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000019536131 558913722 /nfs/dbraw/zinc/91/37/22/558913722.db2.gz MCDQFZLGDYZASV-UHFFFAOYSA-N 1 1 402.494 4.525 50 0 HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000033059985 558954173 /nfs/dbraw/zinc/95/41/73/558954173.db2.gz QYDOLDPTEYDYNU-UHFFFAOYSA-N 1 1 410.587 4.698 50 0 HJAAMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)C[N@@H+](CCc1ccccc1)CC3 ZINC000019708586 558971043 /nfs/dbraw/zinc/97/10/43/558971043.db2.gz YUNYSYSDFFKWOZ-UHFFFAOYSA-N 1 1 419.575 4.711 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)c1C ZINC000065501939 558978235 /nfs/dbraw/zinc/97/82/35/558978235.db2.gz PQYFOBSPTGNGLE-QHCPKHFHSA-N 1 1 402.542 4.774 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000033069026 558982731 /nfs/dbraw/zinc/98/27/31/558982731.db2.gz PAHBMCSMDFSTIE-UHFFFAOYSA-N 1 1 419.550 4.666 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000033069026 558982733 /nfs/dbraw/zinc/98/27/33/558982733.db2.gz PAHBMCSMDFSTIE-UHFFFAOYSA-N 1 1 419.550 4.666 50 0 HJAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000033268840 558993245 /nfs/dbraw/zinc/99/32/45/558993245.db2.gz YTNGZFOBSWTICF-UHFFFAOYSA-N 1 1 419.550 4.844 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314238 559115877 /nfs/dbraw/zinc/11/58/77/559115877.db2.gz SPOABIBBNIGJLC-GJZUVCINSA-N 1 1 414.549 4.696 50 0 HJAAMO CC[NH+](CC)CCCNC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023323118 559143805 /nfs/dbraw/zinc/14/38/05/559143805.db2.gz QNZOQPCLCATMOW-UHFFFAOYSA-N 1 1 416.569 4.694 50 0 HJAAMO O=C(c1ccco1)N1CC[NH+](CCCCCCOc2cccc3ccccc32)CC1 ZINC000004821869 559149974 /nfs/dbraw/zinc/14/99/74/559149974.db2.gz QJUINLJHKUJWGD-UHFFFAOYSA-N 1 1 406.526 4.830 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004900808 559199587 /nfs/dbraw/zinc/19/95/87/559199587.db2.gz FATRGVRTJVAPKS-SFHVURJKSA-N 1 1 411.571 4.843 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004911297 559202731 /nfs/dbraw/zinc/20/27/31/559202731.db2.gz KUKXRAQJSIZPAS-JOCHJYFZSA-N 1 1 404.526 4.841 50 0 HJAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)sc3c2c1 ZINC000004939363 559211826 /nfs/dbraw/zinc/21/18/26/559211826.db2.gz AQCJNYMCXVOFDW-UHFFFAOYSA-N 1 1 420.534 4.568 50 0 HJAAMO c1ccc(-c2cnc(-c3ccncc3)nc2[C@@H]2CCC[N@H+]([C@@H]3CCSC3)C2)cc1 ZINC000011786477 559259348 /nfs/dbraw/zinc/25/93/48/559259348.db2.gz IMFWWHSWTULOTP-NHCUHLMSSA-N 1 1 402.567 4.891 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000102755772 560825821 /nfs/dbraw/zinc/82/58/21/560825821.db2.gz MKTCJRDZURCFKV-RCXJIHSJSA-N 1 1 422.569 4.619 50 0 HJAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000106920103 560894576 /nfs/dbraw/zinc/89/45/76/560894576.db2.gz SGYKJAXCPUJTRV-FDDCHVKYSA-N 1 1 417.018 4.963 50 0 HJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)[nH]1 ZINC000012301598 568464157 /nfs/dbraw/zinc/46/41/57/568464157.db2.gz DBBOLMICLOLCQZ-MRXNPFEDSA-N 1 1 418.969 4.573 50 0 HJAAMO COc1cccc(CN(C(=O)Cn2cc(C)[nH+]c2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000095444428 568611493 /nfs/dbraw/zinc/61/14/93/568611493.db2.gz ZEJCMZLYWYGTGY-UHFFFAOYSA-N 1 1 407.558 4.506 50 0 HJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000002915226 568816296 /nfs/dbraw/zinc/81/62/96/568816296.db2.gz NJAZZHWKFVUXHE-DQEYMECFSA-N 1 1 422.488 4.808 50 0 HJAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000058021475 568878058 /nfs/dbraw/zinc/87/80/58/568878058.db2.gz OKBVEFJGNMCHNF-UHFFFAOYSA-N 1 1 422.960 4.745 50 0 HJAAMO CCCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000058161518 568894554 /nfs/dbraw/zinc/89/45/54/568894554.db2.gz YXLRNKFYMZNBFB-UHFFFAOYSA-N 1 1 422.573 4.864 50 0 HJAAMO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000012806965 568979828 /nfs/dbraw/zinc/97/98/28/568979828.db2.gz ZYBPUWLTKJBWQO-HXUWFJFHSA-N 1 1 409.482 4.964 50 0 HJAAMO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000012806965 568979829 /nfs/dbraw/zinc/97/98/29/568979829.db2.gz ZYBPUWLTKJBWQO-HXUWFJFHSA-N 1 1 409.482 4.964 50 0 HJAAMO C[C@@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000001447680 568985499 /nfs/dbraw/zinc/98/54/99/568985499.db2.gz NTLBQEVTWTXZGF-CQSZACIVSA-N 1 1 412.415 4.899 50 0 HJAAMO c1ccc(COc2ccc(C[NH+]3CC(c4nc(Cc5ccccc5)no4)C3)cc2)cc1 ZINC000090563472 569041200 /nfs/dbraw/zinc/04/12/00/569041200.db2.gz QIUZEXFPONOIGQ-UHFFFAOYSA-N 1 1 411.505 4.839 50 0 HJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c2ccccc2)cc1 ZINC000239432840 569054373 /nfs/dbraw/zinc/05/43/73/569054373.db2.gz WPBDKNVLMQCNAY-XUZZJYLKSA-N 1 1 406.551 4.799 50 0 HJAAMO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C ZINC000054072984 569056956 /nfs/dbraw/zinc/05/69/56/569056956.db2.gz RXOZQHFEQXFBKO-UHFFFAOYSA-N 1 1 413.518 4.672 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657579 569077191 /nfs/dbraw/zinc/07/71/91/569077191.db2.gz CNLFVSJSOBDCPS-KRWDZBQOSA-N 1 1 413.562 4.890 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036316490 569135286 /nfs/dbraw/zinc/13/52/86/569135286.db2.gz ATBGAODZLQIKMH-GOSISDBHSA-N 1 1 423.532 4.959 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064967958 569137811 /nfs/dbraw/zinc/13/78/11/569137811.db2.gz XNFRJSLIOYMNFI-UHFFFAOYSA-N 1 1 413.521 4.671 50 0 HJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341510 569142001 /nfs/dbraw/zinc/14/20/01/569142001.db2.gz AYRDGUMIKVRLOZ-XMMPIXPASA-N 1 1 423.532 4.777 50 0 HJAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)C2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344848 569142890 /nfs/dbraw/zinc/14/28/90/569142890.db2.gz ZIQLTAKJSLSGRW-HSZRJFAPSA-N 1 1 423.532 4.777 50 0 HJAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000036347740 569144233 /nfs/dbraw/zinc/14/42/33/569144233.db2.gz FVOJMMOJEVYFRT-VWLOTQADSA-N 1 1 406.526 4.899 50 0 HJAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000036347740 569144234 /nfs/dbraw/zinc/14/42/34/569144234.db2.gz FVOJMMOJEVYFRT-VWLOTQADSA-N 1 1 406.526 4.899 50 0 HJAAMO CC[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000036420012 569179025 /nfs/dbraw/zinc/17/90/25/569179025.db2.gz MMLOCJHQBNKCNH-VXKWHMMOSA-N 1 1 408.542 4.561 50 0 HJAAMO CC[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000036420012 569179026 /nfs/dbraw/zinc/17/90/26/569179026.db2.gz MMLOCJHQBNKCNH-VXKWHMMOSA-N 1 1 408.542 4.561 50 0 HJAAMO Cc1oc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000006941083 569186604 /nfs/dbraw/zinc/18/66/04/569186604.db2.gz MDUIMVFMEMIHEB-UHFFFAOYSA-N 1 1 421.566 4.638 50 0 HJAAMO CC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(Cl)c1 ZINC000089962814 569270119 /nfs/dbraw/zinc/27/01/19/569270119.db2.gz HXXMFFCXEPDTDW-UHFFFAOYSA-N 1 1 421.928 4.939 50 0 HJAAMO C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000027296288 569292910 /nfs/dbraw/zinc/29/29/10/569292910.db2.gz JTSIFEOPDUFPDZ-UHFFFAOYSA-N 1 1 404.354 4.630 50 0 HJAAMO NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252549941 569294172 /nfs/dbraw/zinc/29/41/72/569294172.db2.gz RXLXVUSLGNQOMN-PKOBYXMFSA-N 1 1 408.571 4.637 50 0 HJAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676419 569297893 /nfs/dbraw/zinc/29/78/93/569297893.db2.gz ZJEFCFNVEYCLRD-GOSISDBHSA-N 1 1 410.949 4.502 50 0 HJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCC[C@@H]3c3ncc[nH]3)c2c1C ZINC000079017501 569424027 /nfs/dbraw/zinc/42/40/27/569424027.db2.gz GWUKVWWJVBBYTP-GOSISDBHSA-N 1 1 424.618 4.995 50 0 HJAAMO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1 ZINC000008654868 571098868 /nfs/dbraw/zinc/09/88/68/571098868.db2.gz BZUXJRXUYFAGHO-JOCHJYFZSA-N 1 1 400.950 4.679 50 0 HJAAMO O[C@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000040049886 571143603 /nfs/dbraw/zinc/14/36/03/571143603.db2.gz QEMGPSJFYBVRPN-HXUWFJFHSA-N 1 1 417.431 4.701 50 0 HJAAMO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000040049885 571143636 /nfs/dbraw/zinc/14/36/36/571143636.db2.gz QEMGPSJFYBVRPN-FQEVSTJZSA-N 1 1 417.431 4.701 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000009151102 571230235 /nfs/dbraw/zinc/23/02/35/571230235.db2.gz CLXUYWRDCWWORK-UHFFFAOYSA-N 1 1 408.571 4.855 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000009151126 571230406 /nfs/dbraw/zinc/23/04/06/571230406.db2.gz QAJASPYVXLRYJG-UHFFFAOYSA-N 1 1 424.570 4.556 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)Cc1ccccc1 ZINC000009919869 571290240 /nfs/dbraw/zinc/29/02/40/571290240.db2.gz AZIOHPBXHZTJMF-UHFFFAOYSA-N 1 1 410.521 4.549 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 ZINC000032909359 519747383 /nfs/dbraw/zinc/74/73/83/519747383.db2.gz WWJSHHNOZQNMMT-ZYLNGJIFSA-N 1 1 421.585 4.903 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 ZINC000032909359 519747385 /nfs/dbraw/zinc/74/73/85/519747385.db2.gz WWJSHHNOZQNMMT-ZYLNGJIFSA-N 1 1 421.585 4.903 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)Cc2ccccc2)c1 ZINC000032909358 519747581 /nfs/dbraw/zinc/74/75/81/519747581.db2.gz WWJSHHNOZQNMMT-OHUGHZGNSA-N 1 1 421.585 4.903 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)Cc2ccccc2)c1 ZINC000032909358 519747582 /nfs/dbraw/zinc/74/75/82/519747582.db2.gz WWJSHHNOZQNMMT-OHUGHZGNSA-N 1 1 421.585 4.903 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000043041582 524029284 /nfs/dbraw/zinc/02/92/84/524029284.db2.gz KYLMIVWZCQBVGT-INIZCTEOSA-N 1 1 413.468 4.752 50 0 HJAAMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccccc2C1 ZINC000045771104 526303951 /nfs/dbraw/zinc/30/39/51/526303951.db2.gz LJCZPEMRADTEBD-UHFFFAOYSA-N 1 1 403.353 4.790 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000000635838 557029590 /nfs/dbraw/zinc/02/95/90/557029590.db2.gz XRTBKCWHMCZXPD-GOTSBHOMSA-N 1 1 414.415 4.769 50 0 HJAAMO COc1cc(OC)c(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Br ZINC000000752236 557075583 /nfs/dbraw/zinc/07/55/83/557075583.db2.gz AAMIRUAPNCAFAU-UHFFFAOYSA-N 1 1 404.348 4.921 50 0 HJAAMO Cc1cc([C@H]2C[C@@H](C(=O)NCC3CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034739945 557443502 /nfs/dbraw/zinc/44/35/02/557443502.db2.gz AYBYCZDHBSQLCF-LEWJYISDSA-N 1 1 414.952 4.919 50 0 HJAAMO CC(C)C[N@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)c(F)c3)c2C1 ZINC000034755527 557458206 /nfs/dbraw/zinc/45/82/06/557458206.db2.gz QEPAHTABZZAMMP-UHFFFAOYSA-N 1 1 402.489 4.552 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000011662275 558266236 /nfs/dbraw/zinc/26/62/36/558266236.db2.gz OEDFLGRUIRBTKL-HXUWFJFHSA-N 1 1 423.988 4.858 50 0 HJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cccc(F)c4)CC3)ccc21 ZINC000019773527 558280568 /nfs/dbraw/zinc/28/05/68/558280568.db2.gz BTPNUKYNSXPLND-UHFFFAOYSA-N 1 1 415.512 4.912 50 0 HJAAMO Cc1nccn1CC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000011818889 558282065 /nfs/dbraw/zinc/28/20/65/558282065.db2.gz IWVCYWMLBWOMML-UHFFFAOYSA-N 1 1 403.505 4.624 50 0 HJAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011843275 558288345 /nfs/dbraw/zinc/28/83/45/558288345.db2.gz FNLXGVMLYWPOKX-HSZRJFAPSA-N 1 1 411.565 4.561 50 0 HJAAMO CN(C)c1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019841969 558294393 /nfs/dbraw/zinc/29/43/93/558294393.db2.gz QHURFKXXYQSTGQ-UHFFFAOYSA-N 1 1 415.606 4.835 50 0 HJAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)CC1 ZINC000019850987 558295638 /nfs/dbraw/zinc/29/56/38/558295638.db2.gz KLFRIHJMXGPUMI-UHFFFAOYSA-N 1 1 400.309 4.596 50 0 HJAAMO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012002639 558308681 /nfs/dbraw/zinc/30/86/81/558308681.db2.gz CWBIFECPZGCNIA-UHFFFAOYSA-N 1 1 424.495 4.570 50 0 HJAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012057716 558316619 /nfs/dbraw/zinc/31/66/19/558316619.db2.gz MVGJRAKFKLFDAC-GOSISDBHSA-N 1 1 400.519 4.583 50 0 HJAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012072373 558317767 /nfs/dbraw/zinc/31/77/67/558317767.db2.gz BJXQXZJDXKIQDP-SFHVURJKSA-N 1 1 401.917 4.510 50 0 HJAAMO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1cccc(-n2cccn2)c1 ZINC000012074473 558319244 /nfs/dbraw/zinc/31/92/44/558319244.db2.gz GUZAIYHNTZZCIC-UHFFFAOYSA-N 1 1 413.403 4.573 50 0 HJAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1cccc(-n2cccn2)c1 ZINC000012074473 558319246 /nfs/dbraw/zinc/31/92/46/558319246.db2.gz GUZAIYHNTZZCIC-UHFFFAOYSA-N 1 1 413.403 4.573 50 0 HJAAMO CCOC(=O)C1(CCc2ccccc2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020232069 558350194 /nfs/dbraw/zinc/35/01/94/558350194.db2.gz YKWQKHPARSDAEC-VWLOTQADSA-N 1 1 420.597 4.539 50 0 HJAAMO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000020232069 558350197 /nfs/dbraw/zinc/35/01/97/558350197.db2.gz YKWQKHPARSDAEC-VWLOTQADSA-N 1 1 420.597 4.539 50 0 HJAAMO Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020407715 558360387 /nfs/dbraw/zinc/36/03/87/558360387.db2.gz MSPSJFKNVRPJOH-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020408354 558360701 /nfs/dbraw/zinc/36/07/01/558360701.db2.gz CIMIVOGGBDINIC-QFIPXVFZSA-N 1 1 414.549 4.696 50 0 HJAAMO CCCCc1nc(CN(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c[nH]1 ZINC000012302505 558372126 /nfs/dbraw/zinc/37/21/26/558372126.db2.gz VALXXWRJHMIXPQ-JOCHJYFZSA-N 1 1 412.622 4.538 50 0 HJAAMO CCCCc1ncc(CN(CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000012302505 558372129 /nfs/dbraw/zinc/37/21/29/558372129.db2.gz VALXXWRJHMIXPQ-JOCHJYFZSA-N 1 1 412.622 4.538 50 0 HJAAMO CCCCc1ncc(CN(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000012302505 558372132 /nfs/dbraw/zinc/37/21/32/558372132.db2.gz VALXXWRJHMIXPQ-JOCHJYFZSA-N 1 1 412.622 4.538 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000012308049 558376392 /nfs/dbraw/zinc/37/63/92/558376392.db2.gz DINPTYXSOTYZGG-OAQYLSRUSA-N 1 1 401.510 4.608 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000012386377 558395043 /nfs/dbraw/zinc/39/50/43/558395043.db2.gz ZHBVDSLPFXOAJG-IBGZPJMESA-N 1 1 409.555 4.816 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000012386377 558395044 /nfs/dbraw/zinc/39/50/44/558395044.db2.gz ZHBVDSLPFXOAJG-IBGZPJMESA-N 1 1 409.555 4.816 50 0 HJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000012439589 558411047 /nfs/dbraw/zinc/41/10/47/558411047.db2.gz ZEKLKLLHCAWHRD-DEOSSOPVSA-N 1 1 401.510 4.910 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCCC1 ZINC000012587105 558434377 /nfs/dbraw/zinc/43/43/77/558434377.db2.gz ASLXWUGUHJFVDN-QFIPXVFZSA-N 1 1 406.570 4.880 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCC2CCOCC2)c(F)c1 ZINC000012597857 558438487 /nfs/dbraw/zinc/43/84/87/558438487.db2.gz WEKBBXVAQHELNR-UHFFFAOYSA-N 1 1 423.532 4.936 50 0 HJAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012704250 558449012 /nfs/dbraw/zinc/44/90/12/558449012.db2.gz KEGGQGNUJCPVQY-QGZVFWFLSA-N 1 1 400.925 4.539 50 0 HJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012707720 558450444 /nfs/dbraw/zinc/45/04/44/558450444.db2.gz XFFFXELYADMYKK-GOSISDBHSA-N 1 1 412.505 4.536 50 0 HJAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CCCC(F)(F)F)cc2)n1 ZINC000012711302 558452363 /nfs/dbraw/zinc/45/23/63/558452363.db2.gz KHJLIHYNCHCDSY-LJQANCHMSA-N 1 1 408.468 4.625 50 0 HJAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CCCC(F)(F)F)cc2)n1 ZINC000012711302 558452365 /nfs/dbraw/zinc/45/23/65/558452365.db2.gz KHJLIHYNCHCDSY-LJQANCHMSA-N 1 1 408.468 4.625 50 0 HJAAMO O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012807174 558474176 /nfs/dbraw/zinc/47/41/76/558474176.db2.gz FYKZCIILUHSYDV-NHCUHLMSSA-N 1 1 417.578 4.691 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012810512 558474759 /nfs/dbraw/zinc/47/47/59/558474759.db2.gz AQPOMAWXTGIXPX-AWEZNQCLSA-N 1 1 404.482 4.823 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012810512 558474761 /nfs/dbraw/zinc/47/47/61/558474761.db2.gz AQPOMAWXTGIXPX-AWEZNQCLSA-N 1 1 404.482 4.823 50 0 HJAAMO Cc1nc(CSc2ccccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000023605664 558563520 /nfs/dbraw/zinc/56/35/20/558563520.db2.gz ARVCPGHMRMBDJJ-UHFFFAOYSA-N 1 1 423.607 4.702 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cl ZINC000014948739 558680530 /nfs/dbraw/zinc/68/05/30/558680530.db2.gz JJPAOVCFIKSWBL-QGZVFWFLSA-N 1 1 412.961 4.947 50 0 HJAAMO Cn1c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000015063175 558705829 /nfs/dbraw/zinc/70/58/29/558705829.db2.gz RNMWHIHMICACKU-SFHVURJKSA-N 1 1 424.976 4.535 50 0 HJAAMO Cn1c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000015063175 558705834 /nfs/dbraw/zinc/70/58/34/558705834.db2.gz RNMWHIHMICACKU-SFHVURJKSA-N 1 1 424.976 4.535 50 0 HJAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)C1 ZINC000015068352 558710981 /nfs/dbraw/zinc/71/09/81/558710981.db2.gz LNSPHAUVRSLWOB-LJQANCHMSA-N 1 1 423.532 4.854 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](Cc2cnn(C)c2)C(C)C)c1 ZINC000015079016 558718109 /nfs/dbraw/zinc/71/81/09/558718109.db2.gz IDFWIQBGMOKSOG-UHFFFAOYSA-N 1 1 415.541 4.692 50 0 HJAAMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955232 558746910 /nfs/dbraw/zinc/74/69/10/558746910.db2.gz WLSASPGHFZGZKU-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000072303461 558755937 /nfs/dbraw/zinc/75/59/37/558755937.db2.gz SGYKJAXCPUJTRV-MBSDFSHPSA-N 1 1 417.018 4.963 50 0 HJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000016009947 558766487 /nfs/dbraw/zinc/76/64/87/558766487.db2.gz YQITXDDUZAGSSZ-SXSPYAJSSA-N 1 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMO CC(C)(C)c1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCOCC3)n2)cc1 ZINC000019912090 558777509 /nfs/dbraw/zinc/77/75/09/558777509.db2.gz CXLOWULJWKBDEV-UHFFFAOYSA-N 1 1 404.558 4.729 50 0 HJAAMO Clc1cc2c(cc1C[N@H+]1CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C1)OCO2 ZINC000019227293 558852864 /nfs/dbraw/zinc/85/28/64/558852864.db2.gz OHIVWUXPUQDFBU-QGZVFWFLSA-N 1 1 409.917 4.762 50 0 HJAAMO Cc1nn2cc(C[NH2+]Cc3cn(C)nc3-c3ccc(C4CCCCC4)cc3)nc2s1 ZINC000019228680 558853179 /nfs/dbraw/zinc/85/31/79/558853179.db2.gz UGTFPWCTPCJALA-UHFFFAOYSA-N 1 1 420.586 4.837 50 0 HJAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000054114371 558866262 /nfs/dbraw/zinc/86/62/62/558866262.db2.gz CCVNWUIPFMAOTJ-RUZDIDTESA-N 1 1 400.501 4.922 50 0 HJAAMO Cc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052540 558870617 /nfs/dbraw/zinc/87/06/17/558870617.db2.gz YXBSQLHGRIMWHO-XMMPIXPASA-N 1 1 409.551 4.738 50 0 HJAAMO Cc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052540 558870619 /nfs/dbraw/zinc/87/06/19/558870619.db2.gz YXBSQLHGRIMWHO-XMMPIXPASA-N 1 1 409.551 4.738 50 0 HJAAMO CC(C)n1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000055108414 558873063 /nfs/dbraw/zinc/87/30/63/558873063.db2.gz NRMTUZVNXHHWJT-HSZRJFAPSA-N 1 1 409.622 4.906 50 0 HJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575919 558883132 /nfs/dbraw/zinc/88/31/32/558883132.db2.gz ZNKZMFHDUSCMPF-FQEVSTJZSA-N 1 1 419.550 4.961 50 0 HJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575919 558883134 /nfs/dbraw/zinc/88/31/34/558883134.db2.gz ZNKZMFHDUSCMPF-FQEVSTJZSA-N 1 1 419.550 4.961 50 0 HJAAMO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057251200 558887988 /nfs/dbraw/zinc/88/79/88/558887988.db2.gz LITAEEUGNOZOSH-UHFFFAOYSA-N 1 1 403.501 4.709 50 0 HJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1F ZINC000057251194 558888036 /nfs/dbraw/zinc/88/80/36/558888036.db2.gz BHLKHSMKPIJLPU-UHFFFAOYSA-N 1 1 407.464 4.539 50 0 HJAAMO CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@H](C)c1ccccc1Br ZINC000059121812 558932008 /nfs/dbraw/zinc/93/20/08/558932008.db2.gz UAGKGYJEOPKBLT-MRXNPFEDSA-N 1 1 414.347 4.739 50 0 HJAAMO CCC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@H](C)c1ccccc1Br ZINC000059121812 558932010 /nfs/dbraw/zinc/93/20/10/558932010.db2.gz UAGKGYJEOPKBLT-MRXNPFEDSA-N 1 1 414.347 4.739 50 0 HJAAMO COc1cc2cc(C[N@H+](C)Cc3cc[nH]n3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072419801 558978400 /nfs/dbraw/zinc/97/84/00/558978400.db2.gz RCBWMQFAZBHMQO-UHFFFAOYSA-N 1 1 422.916 4.928 50 0 HJAAMO COc1cc2cc(C[N@@H+](C)Cc3cc[nH]n3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072419801 558978402 /nfs/dbraw/zinc/97/84/02/558978402.db2.gz RCBWMQFAZBHMQO-UHFFFAOYSA-N 1 1 422.916 4.928 50 0 HJAAMO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000036420486 558986519 /nfs/dbraw/zinc/98/65/19/558986519.db2.gz WEUQCIONJNMBFM-YADHBBJMSA-N 1 1 408.542 4.642 50 0 HJAAMO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000036420486 558986521 /nfs/dbraw/zinc/98/65/21/558986521.db2.gz WEUQCIONJNMBFM-YADHBBJMSA-N 1 1 408.542 4.642 50 0 HJAAMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268798 558992914 /nfs/dbraw/zinc/99/29/14/558992914.db2.gz KPQXLBOAHOHDHP-UHFFFAOYSA-N 1 1 411.477 4.723 50 0 HJAAMO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CC3CC3)C4)nc12 ZINC000067817654 558993359 /nfs/dbraw/zinc/99/33/59/558993359.db2.gz AOUSSQDCQJVOEM-UHFFFAOYSA-N 1 1 404.510 4.832 50 0 HJAAMO C[N@@H+](CCSc1nnc(-c2ccc(Br)cc2)o1)Cc1ccc(F)cc1 ZINC000097139612 558996732 /nfs/dbraw/zinc/99/67/32/558996732.db2.gz RCYXEWCPJASVNR-UHFFFAOYSA-N 1 1 422.323 4.862 50 0 HJAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096318728 559109922 /nfs/dbraw/zinc/10/99/22/559109922.db2.gz KPFVKWVAEJHBCC-UHFFFAOYSA-N 1 1 401.510 4.615 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023318773 559125711 /nfs/dbraw/zinc/12/57/11/559125711.db2.gz JICISFNKOHSOKT-VWLOTQADSA-N 1 1 402.513 4.990 50 0 HJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025924 559230295 /nfs/dbraw/zinc/23/02/95/559230295.db2.gz CACIZLNNSQIMRI-UHFFFAOYSA-N 1 1 418.994 4.807 50 0 HJAAMO Cc1cc([C@@H](C)NC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)c(F)c2)c(C)s1 ZINC000046600865 559287616 /nfs/dbraw/zinc/28/76/16/559287616.db2.gz FWVAOBRRUNTAPU-OAHLLOKOSA-N 1 1 404.555 4.529 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)c1 ZINC000061999340 560565261 /nfs/dbraw/zinc/56/52/61/560565261.db2.gz CMTQZHTYEISAFS-HNWBOLROSA-N 1 1 420.597 4.740 50 0 biogenic HJAAMO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907794 568416083 /nfs/dbraw/zinc/41/60/83/568416083.db2.gz CPCODUCNHPYYQP-QFIPXVFZSA-N 1 1 406.551 4.676 50 0 HJAAMO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907794 568416085 /nfs/dbraw/zinc/41/60/85/568416085.db2.gz CPCODUCNHPYYQP-QFIPXVFZSA-N 1 1 406.551 4.676 50 0 HJAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032206 568424624 /nfs/dbraw/zinc/42/46/24/568424624.db2.gz GXKVQRGMQWUTSD-UHFFFAOYSA-N 1 1 414.550 4.750 50 0 HJAAMO COc1ccccc1/C=C(\C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020390025 568603925 /nfs/dbraw/zinc/60/39/25/568603925.db2.gz WBRWDDWQCFCLEO-QQTULTPQSA-N 1 1 412.533 4.580 50 0 HJAAMO Cc1ccc(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(N2CCCC2)c1 ZINC000095462829 568621751 /nfs/dbraw/zinc/62/17/51/568621751.db2.gz KPTRBOXTKNZMMU-HSZRJFAPSA-N 1 1 405.586 4.673 50 0 HJAAMO CC1CC[NH+](CCC[C@@H](NCc2ccccc2OCCO)c2ccc(F)cc2)CC1 ZINC000225509817 568644900 /nfs/dbraw/zinc/64/49/00/568644900.db2.gz JVKIUVVTANTPDA-XMMPIXPASA-N 1 1 414.565 4.540 50 0 HJAAMO CCc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020927466 568651537 /nfs/dbraw/zinc/65/15/37/568651537.db2.gz QIUNPVDRAXTRSD-UHFFFAOYSA-N 1 1 408.571 4.801 50 0 HJAAMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)cc1Cl ZINC000095941372 568662153 /nfs/dbraw/zinc/66/21/53/568662153.db2.gz OXXBEBBLTYZMHE-CQSZACIVSA-N 1 1 400.910 4.569 50 0 HJAAMO Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000021659465 568735471 /nfs/dbraw/zinc/73/54/71/568735471.db2.gz BIUCRNZHKNYRAZ-UHFFFAOYSA-N 1 1 400.526 4.789 50 0 HJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[N@H+](C)C3CCCCC3)c2c1 ZINC000021934815 568761912 /nfs/dbraw/zinc/76/19/12/568761912.db2.gz AZPZFTLVTIQPMR-UHFFFAOYSA-N 1 1 402.542 4.600 50 0 HJAAMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccc(F)cc1 ZINC000012748377 568934748 /nfs/dbraw/zinc/93/47/48/568934748.db2.gz LLQOCVUWBJFHMR-UHFFFAOYSA-N 1 1 417.937 4.585 50 0 HJAAMO O=c1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c2ccc(Br)cc2o1 ZINC000084393342 568948383 /nfs/dbraw/zinc/94/83/83/568948383.db2.gz ZPWYIAQQGVVBMF-UHFFFAOYSA-N 1 1 412.283 4.550 50 0 HJAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000005044317 568969172 /nfs/dbraw/zinc/96/91/72/568969172.db2.gz WSQFNOPRZMBKCQ-QFIPXVFZSA-N 1 1 417.553 4.795 50 0 HJAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC ZINC000012906736 569021354 /nfs/dbraw/zinc/02/13/54/569021354.db2.gz CIQQPCLEUAUBAH-UHFFFAOYSA-N 1 1 407.510 4.711 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012935156 569026343 /nfs/dbraw/zinc/02/63/43/569026343.db2.gz VMSUCBISCJPMNL-GOSISDBHSA-N 1 1 420.431 4.642 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012935156 569026344 /nfs/dbraw/zinc/02/63/44/569026344.db2.gz VMSUCBISCJPMNL-GOSISDBHSA-N 1 1 420.431 4.642 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560072 569044870 /nfs/dbraw/zinc/04/48/70/569044870.db2.gz SDRCJSSGFHVUKY-QHCPKHFHSA-N 1 1 422.548 4.608 50 0 HJAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000035840746 569062363 /nfs/dbraw/zinc/06/23/63/569062363.db2.gz GHFKSSBDPPECHK-RUZDIDTESA-N 1 1 406.570 4.743 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036043146 569082503 /nfs/dbraw/zinc/08/25/03/569082503.db2.gz OLZMJHFNJLMXNH-BCHFMIIMSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043146 569082504 /nfs/dbraw/zinc/08/25/04/569082504.db2.gz OLZMJHFNJLMXNH-BCHFMIIMSA-N 1 1 424.585 4.662 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800819 569097562 /nfs/dbraw/zinc/09/75/62/569097562.db2.gz RURUUTVQPZDWEP-UHFFFAOYSA-N 1 1 401.514 4.998 50 0 HJAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)C1 ZINC000036145786 569098403 /nfs/dbraw/zinc/09/84/03/569098403.db2.gz HASFMCUKCQLYFI-RPBOFIJWSA-N 1 1 414.549 4.594 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000006762597 569114298 /nfs/dbraw/zinc/11/42/98/569114298.db2.gz VYBVVRPWZVFLOF-HXUWFJFHSA-N 1 1 411.502 4.768 50 0 HJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c2-n1cccc1 ZINC000006780518 569119659 /nfs/dbraw/zinc/11/96/59/569119659.db2.gz GHXRHNVOGGYXIP-SFHVURJKSA-N 1 1 410.587 4.698 50 0 HJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](C)O ZINC000036306664 569129347 /nfs/dbraw/zinc/12/93/47/569129347.db2.gz UMUQMVUXXXSGJM-SFHVURJKSA-N 1 1 411.521 4.857 50 0 HJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307389 569129392 /nfs/dbraw/zinc/12/93/92/569129392.db2.gz QHISKSTXHNMGRT-GOSISDBHSA-N 1 1 411.521 4.857 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036316474 569135234 /nfs/dbraw/zinc/13/52/34/569135234.db2.gz WLSMHAJPPPSZLG-GOSISDBHSA-N 1 1 411.521 4.959 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036346096 569143659 /nfs/dbraw/zinc/14/36/59/569143659.db2.gz CEQXCNORUBEMES-KRWDZBQOSA-N 1 1 409.505 4.705 50 0 HJAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877395 569164205 /nfs/dbraw/zinc/16/42/05/569164205.db2.gz GLDUZMJVRLRJEE-INIZCTEOSA-N 1 1 401.913 4.781 50 0 HJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036389541 569165288 /nfs/dbraw/zinc/16/52/88/569165288.db2.gz AIWFZJWTBLAVSI-JTSKRJEESA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036389541 569165289 /nfs/dbraw/zinc/16/52/89/569165289.db2.gz AIWFZJWTBLAVSI-JTSKRJEESA-N 1 1 402.494 4.775 50 0 HJAAMO C=Cc1ccc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)cc1 ZINC000065257914 569209744 /nfs/dbraw/zinc/20/97/44/569209744.db2.gz UKUIXPZNUMAMNB-UHFFFAOYSA-N 1 1 403.530 4.610 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007363013 569235448 /nfs/dbraw/zinc/23/54/48/569235448.db2.gz WKPACDBSEVPPRR-FUHWJXTLSA-N 1 1 411.596 4.901 50 0 HJAAMO CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cs1)c1cccc(Cl)c1 ZINC000089930385 569268946 /nfs/dbraw/zinc/26/89/46/569268946.db2.gz UVPMWWOTYHEZMV-PMACEKPBSA-N 1 1 418.994 4.540 50 0 HJAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 ZINC000012777112 569403315 /nfs/dbraw/zinc/40/33/15/569403315.db2.gz FGQAQDAEJZQGDY-UHFFFAOYSA-N 1 1 423.557 4.690 50 0 HJAAMO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1 ZINC000008654867 571098877 /nfs/dbraw/zinc/09/88/77/571098877.db2.gz BZUXJRXUYFAGHO-QFIPXVFZSA-N 1 1 400.950 4.679 50 0 HJAAMO Cc1[nH+]ccn1Cc1cccc(CNc2nn3cc(-c4ccccc4)nc3s2)c1 ZINC000040139234 571189158 /nfs/dbraw/zinc/18/91/58/571189158.db2.gz OJPJTFAPRRMBJT-UHFFFAOYSA-N 1 1 400.511 4.623 50 0 HJAAMO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009076864 571218983 /nfs/dbraw/zinc/21/89/83/571218983.db2.gz GNFDCEZQYTWTDO-UHFFFAOYSA-N 1 1 410.521 4.816 50 0 HJAAMO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009076864 571218986 /nfs/dbraw/zinc/21/89/86/571218986.db2.gz GNFDCEZQYTWTDO-UHFFFAOYSA-N 1 1 410.521 4.816 50 0 HJAAMO Fc1ccccc1N1CCN(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000004712144 132285409 /nfs/dbraw/zinc/28/54/09/132285409.db2.gz HITINXRAUSSSLH-UHFFFAOYSA-N 1 1 421.482 4.631 50 0 HJAAMO COc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000004980864 132297570 /nfs/dbraw/zinc/29/75/70/132297570.db2.gz NLYMUQPVVJGCBG-UHFFFAOYSA-N 1 1 418.537 4.605 50 0 HJAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)CC1 ZINC000025355103 523881208 /nfs/dbraw/zinc/88/12/08/523881208.db2.gz ANVDBFUJRZNQCZ-UHFFFAOYSA-N 1 1 407.517 4.956 50 0 HJAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593949 525725459 /nfs/dbraw/zinc/72/54/59/525725459.db2.gz DPUBMZMXRGODFD-NRFANRHFSA-N 1 1 409.917 4.870 50 0 HJAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000001301601 557254314 /nfs/dbraw/zinc/25/43/14/557254314.db2.gz DIYTZBFIDBBZGQ-HXUWFJFHSA-N 1 1 417.336 4.580 50 0 HJAAMO Cc1cccc([C@H]2C[C@H](C(=O)N(C)Cc3ccco3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733602 557440459 /nfs/dbraw/zinc/44/04/59/557440459.db2.gz JXVDYIUTUARZIA-ZEQRLZLVSA-N 1 1 402.538 4.852 50 0 HJAAMO Cc1cccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004561329 557568102 /nfs/dbraw/zinc/56/81/02/557568102.db2.gz SQSYNFARLMOAIA-JOCHJYFZSA-N 1 1 400.975 4.887 50 0 HJAAMO Cc1cccc(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004561329 557568103 /nfs/dbraw/zinc/56/81/03/557568103.db2.gz SQSYNFARLMOAIA-JOCHJYFZSA-N 1 1 400.975 4.887 50 0 HJAAMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)cc1C ZINC000011763957 558273640 /nfs/dbraw/zinc/27/36/40/558273640.db2.gz YBWBHMHFULEDON-RUZDIDTESA-N 1 1 400.526 4.719 50 0 HJAAMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)cc1C ZINC000011763957 558273641 /nfs/dbraw/zinc/27/36/41/558273641.db2.gz YBWBHMHFULEDON-RUZDIDTESA-N 1 1 400.526 4.719 50 0 HJAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1OC ZINC000011814203 558278526 /nfs/dbraw/zinc/27/85/26/558278526.db2.gz MGAPEMLRADUNBX-JOCHJYFZSA-N 1 1 424.368 4.828 50 0 HJAAMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1OC ZINC000011817090 558280396 /nfs/dbraw/zinc/28/03/96/558280396.db2.gz BTYKGJQAOOJFFJ-GFCCVEGCSA-N 1 1 421.875 4.980 50 0 HJAAMO c1cncc(CN(Cc2cccc3c2OCO3)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821094 558284220 /nfs/dbraw/zinc/28/42/20/558284220.db2.gz IRNLPNBOXIWCLG-QFIPXVFZSA-N 1 1 421.585 4.857 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1F ZINC000011843504 558288565 /nfs/dbraw/zinc/28/85/65/558288565.db2.gz HBGOZJJQZGBSPC-SFHVURJKSA-N 1 1 422.466 4.871 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879349 558293932 /nfs/dbraw/zinc/29/39/32/558293932.db2.gz TZWADMVUCHNZIY-NRFANRHFSA-N 1 1 406.482 4.782 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879349 558293936 /nfs/dbraw/zinc/29/39/36/558293936.db2.gz TZWADMVUCHNZIY-NRFANRHFSA-N 1 1 406.482 4.782 50 0 HJAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)CC1 ZINC000020220114 558348921 /nfs/dbraw/zinc/34/89/21/558348921.db2.gz SIMGRBOXXWEWBO-UHFFFAOYSA-N 1 1 400.309 4.596 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012195607 558349432 /nfs/dbraw/zinc/34/94/32/558349432.db2.gz NESFIPBVVKVOMY-HXUWFJFHSA-N 1 1 408.517 4.989 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012297771 558367950 /nfs/dbraw/zinc/36/79/50/558367950.db2.gz ILXRYXHUUNCMJQ-KRWDZBQOSA-N 1 1 422.466 4.871 50 0 HJAAMO COc1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304401 558373621 /nfs/dbraw/zinc/37/36/21/558373621.db2.gz VKACBXYGVDOHSH-LJQANCHMSA-N 1 1 407.470 4.510 50 0 HJAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304401 558373623 /nfs/dbraw/zinc/37/36/23/558373623.db2.gz VKACBXYGVDOHSH-LJQANCHMSA-N 1 1 407.470 4.510 50 0 HJAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000012304991 558374282 /nfs/dbraw/zinc/37/42/82/558374282.db2.gz QSOKNQGUARFZGB-HSZRJFAPSA-N 1 1 413.924 4.686 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1 ZINC000012457820 558418013 /nfs/dbraw/zinc/41/80/13/558418013.db2.gz DPVQROISIRWLKZ-LJQANCHMSA-N 1 1 404.476 4.732 50 0 HJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3C)ccc2c1NC(=O)c1ccccc1 ZINC000012726674 558457150 /nfs/dbraw/zinc/45/71/50/558457150.db2.gz FPNUKLCZSUOFMQ-OAHLLOKOSA-N 1 1 423.538 4.710 50 0 HJAAMO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c(C)c1 ZINC000022932755 558525064 /nfs/dbraw/zinc/52/50/64/558525064.db2.gz BBIYLHKOSJVAAG-UHFFFAOYSA-N 1 1 407.583 4.583 50 0 HJAAMO CN(Cc1nc2c(s1)CCCC2)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000023339984 558550656 /nfs/dbraw/zinc/55/06/56/558550656.db2.gz KNGXDZNDTFSSDI-UHFFFAOYSA-N 1 1 401.595 4.548 50 0 HJAAMO CCOc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000024668125 558606898 /nfs/dbraw/zinc/60/68/98/558606898.db2.gz UEOCCAFDHUBTKC-INIZCTEOSA-N 1 1 404.470 4.656 50 0 HJAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024666853 558606970 /nfs/dbraw/zinc/60/69/70/558606970.db2.gz GSHUHTASDYWEGB-FQEVSTJZSA-N 1 1 405.542 4.835 50 0 HJAAMO c1cncc(C[NH2+]Cc2cc3cc4c(cc3nc2OCC2CCCCC2)OCO4)c1 ZINC000014979349 558690558 /nfs/dbraw/zinc/69/05/58/558690558.db2.gz MOXGIMGQAAZAEG-UHFFFAOYSA-N 1 1 405.498 4.607 50 0 HJAAMO COc1ccc(C)cc1-c1csc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000072273305 558694256 /nfs/dbraw/zinc/69/42/56/558694256.db2.gz KQJJCPWKLAJKCP-UHFFFAOYSA-N 1 1 417.575 4.616 50 0 HJAAMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c2ccccc21 ZINC000015063440 558706194 /nfs/dbraw/zinc/70/61/94/558706194.db2.gz BYUVJZXSNKZXCI-IBGZPJMESA-N 1 1 407.533 4.626 50 0 HJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)cc(OC)c1 ZINC000015070553 558712489 /nfs/dbraw/zinc/71/24/89/558712489.db2.gz GFHCNDRVOIKEPP-MRXNPFEDSA-N 1 1 418.484 4.613 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@](CO)(CCOc3ccccc3)C2)c1 ZINC000015073643 558714526 /nfs/dbraw/zinc/71/45/26/558714526.db2.gz VZFGJUSYWCKNMF-SANMLTNESA-N 1 1 419.569 4.737 50 0 HJAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nc(C4CC4)no3)CC2)s1 ZINC000029532374 558716534 /nfs/dbraw/zinc/71/65/34/558716534.db2.gz SEFWBTLIFRRCKN-UHFFFAOYSA-N 1 1 414.962 4.647 50 0 HJAAMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000030801331 558738360 /nfs/dbraw/zinc/73/83/60/558738360.db2.gz XXHFYNXCFRVOLR-UHFFFAOYSA-N 1 1 420.582 4.534 50 0 HJAAMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000030801331 558738364 /nfs/dbraw/zinc/73/83/64/558738364.db2.gz XXHFYNXCFRVOLR-UHFFFAOYSA-N 1 1 420.582 4.534 50 0 HJAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000004573109 558744436 /nfs/dbraw/zinc/74/44/36/558744436.db2.gz YIUSGAGXGMRGPM-VWLOTQADSA-N 1 1 424.585 4.864 50 0 HJAAMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955120 558746936 /nfs/dbraw/zinc/74/69/36/558746936.db2.gz WGBDKIXLJBGMKW-UHFFFAOYSA-N 1 1 404.514 4.711 50 0 HJAAMO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004591122 558829280 /nfs/dbraw/zinc/82/92/80/558829280.db2.gz YUUIVHUEBBFMLG-JOCHJYFZSA-N 1 1 422.516 4.980 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004591122 558829281 /nfs/dbraw/zinc/82/92/81/558829281.db2.gz YUUIVHUEBBFMLG-JOCHJYFZSA-N 1 1 422.516 4.980 50 0 HJAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270032 558877815 /nfs/dbraw/zinc/87/78/15/558877815.db2.gz FIBBVOAULJLUCJ-LJQANCHMSA-N 1 1 403.551 4.545 50 0 HJAAMO CSc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270032 558877817 /nfs/dbraw/zinc/87/78/17/558877817.db2.gz FIBBVOAULJLUCJ-LJQANCHMSA-N 1 1 403.551 4.545 50 0 HJAAMO Cc1cccn2c(C[NH2+][C@@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000055358362 558879963 /nfs/dbraw/zinc/87/99/63/558879963.db2.gz QGSJCZRIJRKWSA-KRWDZBQOSA-N 1 1 410.949 4.773 50 0 HJAAMO S=c1sc2c(ncnc2N2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000055364201 558880090 /nfs/dbraw/zinc/88/00/90/558880090.db2.gz NJXOYLWNHCQODE-UHFFFAOYSA-N 1 1 419.579 4.534 50 0 HJAAMO Cc1ccc2nc(C[N@H+]([C@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc(=O)n2c1 ZINC000059578031 558937546 /nfs/dbraw/zinc/93/75/46/558937546.db2.gz NRSPPOUBAVUGLZ-OAHLLOKOSA-N 1 1 401.432 4.747 50 0 HJAAMO OCCC[N@@H+]1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 ZINC000067714261 558991829 /nfs/dbraw/zinc/99/18/29/558991829.db2.gz DHINJOQAJFCDEJ-UHFFFAOYSA-N 1 1 421.518 4.893 50 0 HJAAMO OCCC[N@H+]1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 ZINC000067714261 558991832 /nfs/dbraw/zinc/99/18/32/558991832.db2.gz DHINJOQAJFCDEJ-UHFFFAOYSA-N 1 1 421.518 4.893 50 0 HJAAMO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000023128757 559017737 /nfs/dbraw/zinc/01/77/37/559017737.db2.gz CLTIPXJEAUYNHR-HXUWFJFHSA-N 1 1 419.500 4.742 50 0 HJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)[nH+]1 ZINC000033318569 559056010 /nfs/dbraw/zinc/05/60/10/559056010.db2.gz RDSHNUKIGGVPCM-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318569 559056012 /nfs/dbraw/zinc/05/60/12/559056012.db2.gz RDSHNUKIGGVPCM-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO CC(C)C[N@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000004798530 559066817 /nfs/dbraw/zinc/06/68/17/559066817.db2.gz LXFOEYOADNJPLA-RUZDIDTESA-N 1 1 424.560 4.711 50 0 HJAAMO c1ccc(-c2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000095482983 559081346 /nfs/dbraw/zinc/08/13/46/559081346.db2.gz SKWVFSCLLXIEEJ-UHFFFAOYSA-N 1 1 410.521 4.644 50 0 HJAAMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000072303033 559124085 /nfs/dbraw/zinc/12/40/85/559124085.db2.gz WOYMHWGSVYUFFU-QHCPKHFHSA-N 1 1 417.553 4.706 50 0 HJAAMO CCn1nc(C)c(C[N@@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998024 559269906 /nfs/dbraw/zinc/26/99/06/559269906.db2.gz GKKWJGDZVVFWPS-VWLOTQADSA-N 1 1 419.569 4.581 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998024 559269907 /nfs/dbraw/zinc/26/99/07/559269907.db2.gz GKKWJGDZVVFWPS-VWLOTQADSA-N 1 1 419.569 4.581 50 0 HJAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005164436 559275807 /nfs/dbraw/zinc/27/58/07/559275807.db2.gz VRUITDXLWLLLDF-IEZKXTBUSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005164436 559275808 /nfs/dbraw/zinc/27/58/08/559275808.db2.gz VRUITDXLWLLLDF-IEZKXTBUSA-N 1 1 410.533 4.749 50 0 HJAAMO Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000005515983 560603944 /nfs/dbraw/zinc/60/39/44/560603944.db2.gz ZOQYDPIIIKWEMA-FGZHOGPDSA-N 1 1 413.868 4.539 50 0 HJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000017305978 560707254 /nfs/dbraw/zinc/70/72/54/560707254.db2.gz ORTCOPLRFIOKGX-LJQANCHMSA-N 1 1 411.509 4.566 50 0 HJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000017305978 560707256 /nfs/dbraw/zinc/70/72/56/560707256.db2.gz ORTCOPLRFIOKGX-LJQANCHMSA-N 1 1 411.509 4.566 50 0 HJAAMO C[N@@H+](CCC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCc1ccc2c(c1)OCO2 ZINC000005674897 560775615 /nfs/dbraw/zinc/77/56/15/560775615.db2.gz PHCKXDZGDRQZLA-GORDUTHDSA-N 1 1 406.309 4.869 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000045974132 568422859 /nfs/dbraw/zinc/42/28/59/568422859.db2.gz LBIQSYJMWVQSGN-UHFFFAOYSA-N 1 1 413.521 4.604 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000048237234 568433118 /nfs/dbraw/zinc/43/31/18/568433118.db2.gz WYYRXKLLJIFSEY-CQSZACIVSA-N 1 1 407.917 4.684 50 0 HJAAMO CCc1cccc2c(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(C(=O)OC)CC3)c[nH]c21 ZINC000049560887 568452093 /nfs/dbraw/zinc/45/20/93/568452093.db2.gz FPCXIQTYGUXJNB-HSZRJFAPSA-N 1 1 404.510 4.539 50 0 HJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnc(SC)s2)n1 ZINC000008200139 568492787 /nfs/dbraw/zinc/49/27/87/568492787.db2.gz MSZFVYRTLLWONM-UHFFFAOYSA-N 1 1 411.647 4.875 50 0 HJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)sc2C1 ZINC000033421967 568514448 /nfs/dbraw/zinc/51/44/48/568514448.db2.gz GIJGDDUWZDMAIQ-UHFFFAOYSA-N 1 1 404.495 4.582 50 0 HJAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)sc2C1 ZINC000033421967 568514449 /nfs/dbraw/zinc/51/44/49/568514449.db2.gz GIJGDDUWZDMAIQ-UHFFFAOYSA-N 1 1 404.495 4.582 50 0 HJAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CC[NH+](C)CC2)c1C ZINC000020192876 568593671 /nfs/dbraw/zinc/59/36/71/568593671.db2.gz SJWVXNOEGXRROR-NRFANRHFSA-N 1 1 409.555 4.547 50 0 HJAAMO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000095389760 568604004 /nfs/dbraw/zinc/60/40/04/568604004.db2.gz URFGOTOLOXCPNC-UHFFFAOYSA-N 1 1 417.538 4.554 50 0 HJAAMO CCCC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447089 568608452 /nfs/dbraw/zinc/60/84/52/568608452.db2.gz BTGJJKUUMGGZNO-XZOQPEGZSA-N 1 1 405.941 4.973 50 0 HJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000020927117 568651554 /nfs/dbraw/zinc/65/15/54/568651554.db2.gz FCJDNHBNLNAROU-UHFFFAOYSA-N 1 1 400.935 4.502 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cc(Br)ccc2s1 ZINC000096115115 568694663 /nfs/dbraw/zinc/69/46/63/568694663.db2.gz DYWSESICKUPINO-XJKSGUPXSA-N 1 1 407.377 4.658 50 0 biogenic HJAAMO Cc1sc(Cl)nc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096230914 568707008 /nfs/dbraw/zinc/70/70/08/568707008.db2.gz URCZPLCVBHLZAL-UHFFFAOYSA-N 1 1 411.958 4.652 50 0 HJAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccccc2F)CC1 ZINC000096278189 568716586 /nfs/dbraw/zinc/71/65/86/568716586.db2.gz VRPZVCXJWPEXFQ-SFHVURJKSA-N 1 1 413.924 4.647 50 0 HJAAMO CCOc1ccc(N2C3=CCCCC[N@H+]3[C@@H](C)[C@@]2(O)c2ccc(OCC)cc2)cc1 ZINC000096563787 568760599 /nfs/dbraw/zinc/76/05/99/568760599.db2.gz NTWMFFYUARFUFQ-UQBPGWFLSA-N 1 1 408.542 4.865 50 0 HJAAMO CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1nnc(-c2cccs2)o1 ZINC000022199143 568765223 /nfs/dbraw/zinc/76/52/23/568765223.db2.gz HBZPVJNLGCMGLF-UHFFFAOYSA-N 1 1 404.923 4.692 50 0 HJAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000057273755 568825605 /nfs/dbraw/zinc/82/56/05/568825605.db2.gz QLVKHYFCTXODGZ-XMMPIXPASA-N 1 1 422.550 4.960 50 0 HJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)c2cccs2)cc1 ZINC000057435570 568836697 /nfs/dbraw/zinc/83/66/97/568836697.db2.gz HSKZZEBIQIYIAY-HSZRJFAPSA-N 1 1 408.523 4.536 50 0 HJAAMO CCOc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000003044980 568848670 /nfs/dbraw/zinc/84/86/70/568848670.db2.gz TZASZZRUJTZDHE-IBGZPJMESA-N 1 1 417.553 4.905 50 0 HJAAMO c1cc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cc2c1OCO2 ZINC000003343587 568855912 /nfs/dbraw/zinc/85/59/12/568855912.db2.gz ZXULWYTYTZEUJL-UHFFFAOYSA-N 1 1 422.554 4.507 50 0 HJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015350125 568877705 /nfs/dbraw/zinc/87/77/05/568877705.db2.gz HQZCJQZOTNDVLL-RUZDIDTESA-N 1 1 413.521 4.505 50 0 HJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015350125 568877707 /nfs/dbraw/zinc/87/77/07/568877707.db2.gz HQZCJQZOTNDVLL-RUZDIDTESA-N 1 1 413.521 4.505 50 0 HJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000003419912 568899725 /nfs/dbraw/zinc/89/97/25/568899725.db2.gz WNWUTOBDSQXBHH-INIZCTEOSA-N 1 1 411.727 4.653 50 0 HJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000005044124 568969060 /nfs/dbraw/zinc/96/90/60/568969060.db2.gz YUSOYVMUJWMIFM-HXUWFJFHSA-N 1 1 423.944 4.832 50 0 HJAAMO C[N@@H+](Cc1cc(=O)n2c3c(sc2n1)CCCC3)C(c1ccccc1)c1ccccc1 ZINC000008390606 568996872 /nfs/dbraw/zinc/99/68/72/568996872.db2.gz UXSJINOGBWZRMQ-UHFFFAOYSA-N 1 1 415.562 4.856 50 0 HJAAMO CCc1cc([C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546458 569000145 /nfs/dbraw/zinc/00/01/45/569000145.db2.gz PGDQQRBUKLEEHL-JOCHJYFZSA-N 1 1 423.582 4.801 50 0 HJAAMO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012925140 569023621 /nfs/dbraw/zinc/02/36/21/569023621.db2.gz XNKZTVPTTPWEJW-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012925140 569023622 /nfs/dbraw/zinc/02/36/22/569023622.db2.gz XNKZTVPTTPWEJW-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000245256349 569055508 /nfs/dbraw/zinc/05/55/08/569055508.db2.gz PJODBFCKHIRUQA-HNNXBMFYSA-N 1 1 402.951 4.510 50 0 HJAAMO CC[N@@H+]1CCC[C@H]1Cn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000245256349 569055509 /nfs/dbraw/zinc/05/55/09/569055509.db2.gz PJODBFCKHIRUQA-HNNXBMFYSA-N 1 1 402.951 4.510 50 0 HJAAMO CC[N@H+]1CCC[C@H]1Cn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000245256349 569055510 /nfs/dbraw/zinc/05/55/10/569055510.db2.gz PJODBFCKHIRUQA-HNNXBMFYSA-N 1 1 402.951 4.510 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036095317 569089844 /nfs/dbraw/zinc/08/98/44/569089844.db2.gz BZGJWSXFYFJORQ-RUZDIDTESA-N 1 1 405.538 4.584 50 0 HJAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)C1 ZINC000036145787 569098463 /nfs/dbraw/zinc/09/84/63/569098463.db2.gz HASFMCUKCQLYFI-JWQCQUIFSA-N 1 1 414.549 4.594 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036302820 569128313 /nfs/dbraw/zinc/12/83/13/569128313.db2.gz FDFBSIMYMGZRDH-LJQANCHMSA-N 1 1 423.557 4.828 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307052 569129316 /nfs/dbraw/zinc/12/93/16/569129316.db2.gz ODEFNUIXSKLOMU-HXUWFJFHSA-N 1 1 411.521 5.000 50 0 HJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006809538 569133573 /nfs/dbraw/zinc/13/35/73/569133573.db2.gz JUQKPGKVJWZPAC-FVJLSDCUSA-N 1 1 406.979 4.623 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036342123 569142221 /nfs/dbraw/zinc/14/22/21/569142221.db2.gz AFWURSJWPSAIKA-KRWDZBQOSA-N 1 1 409.505 4.705 50 0 HJAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036345097 569143095 /nfs/dbraw/zinc/14/30/95/569143095.db2.gz IXQJZOXVNQLRDG-CYFREDJKSA-N 1 1 405.542 4.556 50 0 HJAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000036345295 569143198 /nfs/dbraw/zinc/14/31/98/569143198.db2.gz QLWRKVDPCADEJM-DEOSSOPVSA-N 1 1 419.569 4.946 50 0 HJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000006843187 569152549 /nfs/dbraw/zinc/15/25/49/569152549.db2.gz YTJUCPCUHACBPQ-LJQANCHMSA-N 1 1 413.930 4.894 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000006937190 569185183 /nfs/dbraw/zinc/18/51/83/569185183.db2.gz RDKYIQXDMXFMCP-ZEQKJWHPSA-N 1 1 405.538 4.603 50 0 HJAAMO Cc1cc(N2CCC(N(C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C)[nH+]1 ZINC000170615534 569247326 /nfs/dbraw/zinc/24/73/26/569247326.db2.gz PGZRQQLOLPERCF-UHFFFAOYSA-N 1 1 408.333 4.533 50 0 HJAAMO FC(F)(F)c1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834966 569266808 /nfs/dbraw/zinc/26/68/08/569266808.db2.gz JGASLBUECYECJQ-QGZVFWFLSA-N 1 1 401.432 4.567 50 0 HJAAMO FC(F)(F)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834966 569266810 /nfs/dbraw/zinc/26/68/10/569266810.db2.gz JGASLBUECYECJQ-QGZVFWFLSA-N 1 1 401.432 4.567 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000638043 569281764 /nfs/dbraw/zinc/28/17/64/569281764.db2.gz FDQINJWNCGYVAS-DNQXCXABSA-N 1 1 410.452 4.938 50 0 HJAAMO O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192600 569429342 /nfs/dbraw/zinc/42/93/42/569429342.db2.gz IEDARNZRAAWRIN-XZOQPEGZSA-N 1 1 401.554 4.689 50 0 biogenic HJAAMO C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000032903626 518670451 /nfs/dbraw/zinc/67/04/51/518670451.db2.gz BQYISWVONOTNIH-UHFFFAOYSA-N 1 1 417.553 4.906 50 0 HJAAMO CC(=O)O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000032593449 519756844 /nfs/dbraw/zinc/75/68/44/519756844.db2.gz IOZFHIIXZPSGNV-HSZRJFAPSA-N 1 1 413.901 4.946 50 0 HJAAMO CC(=O)O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000032593449 519756845 /nfs/dbraw/zinc/75/68/45/519756845.db2.gz IOZFHIIXZPSGNV-HSZRJFAPSA-N 1 1 413.901 4.946 50 0 HJAAMO CCNc1nc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc(C)[nH+]1 ZINC000077137454 520355445 /nfs/dbraw/zinc/35/54/45/520355445.db2.gz GOYWXWXQFMTXOD-UHFFFAOYSA-N 1 1 400.486 4.623 50 0 HJAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(CSc2ccccc2)o1)[NH+](C)C ZINC000032695544 524732879 /nfs/dbraw/zinc/73/28/79/524732879.db2.gz SSFLYQREBULKMS-HXUWFJFHSA-N 1 1 410.539 4.613 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002255242 557331855 /nfs/dbraw/zinc/33/18/55/557331855.db2.gz SJBGRDLTAGYTNG-BJKOFHAPSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@H+]5CCC[C@H](C)C5)C4=O)cc3)sc2c1 ZINC000004649068 557575412 /nfs/dbraw/zinc/57/54/12/557575412.db2.gz KZHWHWUVOWMIFU-JXFKEZNVSA-N 1 1 419.550 4.636 50 0 HJAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000004714008 557585958 /nfs/dbraw/zinc/58/59/58/557585958.db2.gz NVBJZNQZDJCBMD-FQEVSTJZSA-N 1 1 417.336 4.580 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004955874 557617053 /nfs/dbraw/zinc/61/70/53/557617053.db2.gz ZFANSAQWBPFAGW-JOCHJYFZSA-N 1 1 404.526 4.841 50 0 HJAAMO O=C(/C=C/c1ccccc1)O[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000005010387 557625148 /nfs/dbraw/zinc/62/51/48/557625148.db2.gz VMPAGWCLVKJQEU-SGWGQVFISA-N 1 1 400.316 4.670 50 0 HJAAMO O=C(/C=C/c1ccccc1)O[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000005010387 557625152 /nfs/dbraw/zinc/62/51/52/557625152.db2.gz VMPAGWCLVKJQEU-SGWGQVFISA-N 1 1 400.316 4.670 50 0 HJAAMO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)cc1O ZINC000019731145 558259581 /nfs/dbraw/zinc/25/95/81/558259581.db2.gz QHZBGEUQJRQPGH-LLVKDONJSA-N 1 1 407.848 4.677 50 0 HJAAMO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)nc2ccccc21 ZINC000011663404 558267032 /nfs/dbraw/zinc/26/70/32/558267032.db2.gz BPKSMEAPZCFOLV-LJQANCHMSA-N 1 1 414.509 4.684 50 0 HJAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)nc2ccccc21 ZINC000011663404 558267033 /nfs/dbraw/zinc/26/70/33/558267033.db2.gz BPKSMEAPZCFOLV-LJQANCHMSA-N 1 1 414.509 4.684 50 0 HJAAMO Cc1cccc(-n2ccnc2CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000011663933 558267589 /nfs/dbraw/zinc/26/75/89/558267589.db2.gz BFRFZXGZVLHBFA-UHFFFAOYSA-N 1 1 420.576 4.706 50 0 HJAAMO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011700162 558270615 /nfs/dbraw/zinc/27/06/15/558270615.db2.gz WYMLFKMVVWTZBB-LJQANCHMSA-N 1 1 413.480 4.810 50 0 HJAAMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022925527 558271716 /nfs/dbraw/zinc/27/17/16/558271716.db2.gz QRDJYNYWSOQQCV-SFHVURJKSA-N 1 1 408.521 4.878 50 0 HJAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@](CO)(Cc4ccc(F)cc4F)C3)cn2)c1 ZINC000011816409 558279736 /nfs/dbraw/zinc/27/97/36/558279736.db2.gz BJIALZRZTNBOPI-RUZDIDTESA-N 1 1 423.507 4.547 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841825 558287477 /nfs/dbraw/zinc/28/74/77/558287477.db2.gz NTXSGOVGEWLNTC-OAHLLOKOSA-N 1 1 405.947 4.871 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841825 558287480 /nfs/dbraw/zinc/28/74/80/558287480.db2.gz NTXSGOVGEWLNTC-OAHLLOKOSA-N 1 1 405.947 4.871 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879348 558293918 /nfs/dbraw/zinc/29/39/18/558293918.db2.gz TZWADMVUCHNZIY-OAQYLSRUSA-N 1 1 406.482 4.782 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879348 558293920 /nfs/dbraw/zinc/29/39/20/558293920.db2.gz TZWADMVUCHNZIY-OAQYLSRUSA-N 1 1 406.482 4.782 50 0 HJAAMO Cc1cccc(-n2ccnc2CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011936391 558300534 /nfs/dbraw/zinc/30/05/34/558300534.db2.gz YNICGQXXLHDTHP-HSZRJFAPSA-N 1 1 420.576 4.706 50 0 HJAAMO CC(C)c1csc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)n1 ZINC000012020748 558309482 /nfs/dbraw/zinc/30/94/82/558309482.db2.gz YOOUVXHTEGDWQO-BPXKWBHBSA-N 1 1 415.990 4.858 50 0 HJAAMO CC(C)c1csc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)n1 ZINC000012020748 558309484 /nfs/dbraw/zinc/30/94/84/558309484.db2.gz YOOUVXHTEGDWQO-BPXKWBHBSA-N 1 1 415.990 4.858 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1cccs1 ZINC000012195433 558349297 /nfs/dbraw/zinc/34/92/97/558349297.db2.gz BCLPXEPTWIRYLP-SFHVURJKSA-N 1 1 424.532 4.723 50 0 HJAAMO Cc1cccc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204853 558352512 /nfs/dbraw/zinc/35/25/12/558352512.db2.gz CQHXXUBKGMOOTH-HXUWFJFHSA-N 1 1 405.508 4.795 50 0 HJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1 ZINC000012205868 558352727 /nfs/dbraw/zinc/35/27/27/558352727.db2.gz BIELJOYHLWUQPK-HXUWFJFHSA-N 1 1 405.567 4.904 50 0 HJAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000020418560 558361551 /nfs/dbraw/zinc/36/15/51/558361551.db2.gz QKSVNBWCNXZWFH-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012304147 558373386 /nfs/dbraw/zinc/37/33/86/558373386.db2.gz BIGXEGTYOYJILW-NRFANRHFSA-N 1 1 424.585 4.575 50 0 HJAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000012304997 558374183 /nfs/dbraw/zinc/37/41/83/558374183.db2.gz ZKBORASCRRWFIV-IBGZPJMESA-N 1 1 411.477 4.579 50 0 HJAAMO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387796 558396668 /nfs/dbraw/zinc/39/66/68/558396668.db2.gz HLKLBSYWVLWJNX-XMMPIXPASA-N 1 1 417.509 4.876 50 0 HJAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387796 558396671 /nfs/dbraw/zinc/39/66/71/558396671.db2.gz HLKLBSYWVLWJNX-XMMPIXPASA-N 1 1 417.509 4.876 50 0 HJAAMO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000020654150 558397823 /nfs/dbraw/zinc/39/78/23/558397823.db2.gz PBOSMPXPWCFFCP-XMMPIXPASA-N 1 1 409.961 4.856 50 0 HJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1C1Cc2ccccc2C1 ZINC000012448409 558415361 /nfs/dbraw/zinc/41/53/61/558415361.db2.gz SEEGBRRVDRHTMR-VWLOTQADSA-N 1 1 413.521 4.834 50 0 HJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)ccc2c1 ZINC000012579551 558432055 /nfs/dbraw/zinc/43/20/55/558432055.db2.gz LOGCHIWVYLDAHT-HSZRJFAPSA-N 1 1 416.521 4.902 50 0 HJAAMO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593654 558436551 /nfs/dbraw/zinc/43/65/51/558436551.db2.gz JEZSXLBKQNAPOM-HSZRJFAPSA-N 1 1 412.555 4.537 50 0 HJAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593654 558436554 /nfs/dbraw/zinc/43/65/54/558436554.db2.gz JEZSXLBKQNAPOM-HSZRJFAPSA-N 1 1 412.555 4.537 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cccn1 ZINC000012759217 558460885 /nfs/dbraw/zinc/46/08/85/558460885.db2.gz JBYLARROVLVBPI-FQEVSTJZSA-N 1 1 423.944 4.688 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022784254 558510566 /nfs/dbraw/zinc/51/05/66/558510566.db2.gz YWDIRYCUEZLZJX-IBGZPJMESA-N 1 1 405.567 4.560 50 0 HJAAMO CC(=O)N1CCc2cc(Nc3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)ccc21 ZINC000022803295 558513552 /nfs/dbraw/zinc/51/35/52/558513552.db2.gz QJLSRNPKHKJHHH-UHFFFAOYSA-N 1 1 421.570 4.557 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000023310897 558548502 /nfs/dbraw/zinc/54/85/02/558548502.db2.gz HQYGYAXYQBEYFR-LJQANCHMSA-N 1 1 417.509 4.517 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000014233181 558640532 /nfs/dbraw/zinc/64/05/32/558640532.db2.gz KIQLWFFSWDYZFI-MRXNPFEDSA-N 1 1 417.868 4.602 50 0 HJAAMO C/C(=C/c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000004544040 558664110 /nfs/dbraw/zinc/66/41/10/558664110.db2.gz ZBSFCAUVBMSGLK-VOJYKXCQSA-N 1 1 415.562 4.891 50 0 HJAAMO C/C(=C/c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000004544040 558664112 /nfs/dbraw/zinc/66/41/12/558664112.db2.gz ZBSFCAUVBMSGLK-VOJYKXCQSA-N 1 1 415.562 4.891 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H](C)c2ccncn2)c(F)c1 ZINC000014949947 558680724 /nfs/dbraw/zinc/68/07/24/558680724.db2.gz BARVMRFHECJHLF-QGZVFWFLSA-N 1 1 417.488 4.670 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)c2ccncn2)c(F)c1 ZINC000014949947 558680727 /nfs/dbraw/zinc/68/07/27/558680727.db2.gz BARVMRFHECJHLF-QGZVFWFLSA-N 1 1 417.488 4.670 50 0 HJAAMO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)n1 ZINC000030030460 558726676 /nfs/dbraw/zinc/72/66/76/558726676.db2.gz JWFPLTBPJUHTQQ-OAQYLSRUSA-N 1 1 423.607 4.873 50 0 HJAAMO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)n1 ZINC000030030460 558726678 /nfs/dbraw/zinc/72/66/78/558726678.db2.gz JWFPLTBPJUHTQQ-OAQYLSRUSA-N 1 1 423.607 4.873 50 0 HJAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000004573111 558744407 /nfs/dbraw/zinc/74/44/07/558744407.db2.gz YIUSGAGXGMRGPM-RUZDIDTESA-N 1 1 424.585 4.864 50 0 HJAAMO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000055292260 558878576 /nfs/dbraw/zinc/87/85/76/558878576.db2.gz BVHVTFQVPDAESP-UHFFFAOYSA-N 1 1 400.522 4.790 50 0 HJAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2Cl)CC1 ZINC000064370018 558962873 /nfs/dbraw/zinc/96/28/73/558962873.db2.gz RSBWKLPMGLDAHZ-UHFFFAOYSA-N 1 1 411.977 4.932 50 0 HJAAMO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+](C)Cc2cc[nH]n2)cc1OC ZINC000072425701 558978859 /nfs/dbraw/zinc/97/88/59/558978859.db2.gz GDCIPWVUIVHDAD-UHFFFAOYSA-N 1 1 402.498 4.583 50 0 HJAAMO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+](C)Cc2cc[nH]n2)cc1OC ZINC000072425701 558978862 /nfs/dbraw/zinc/97/88/62/558978862.db2.gz GDCIPWVUIVHDAD-UHFFFAOYSA-N 1 1 402.498 4.583 50 0 HJAAMO C[C@@]1(O)CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072472997 558983483 /nfs/dbraw/zinc/98/34/83/558983483.db2.gz SAKQJPNBTVQBSJ-HSZRJFAPSA-N 1 1 410.901 4.631 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267229 558989654 /nfs/dbraw/zinc/98/96/54/558989654.db2.gz ONZLFLHZXGLGIT-IBGZPJMESA-N 1 1 402.542 4.681 50 0 HJAAMO Cc1ccc(F)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1F ZINC000023322617 559140905 /nfs/dbraw/zinc/14/09/05/559140905.db2.gz FZZJQNONIDCKGR-UHFFFAOYSA-N 1 1 406.476 4.821 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139245 559153198 /nfs/dbraw/zinc/15/31/98/559153198.db2.gz RKFDHFPSUFILLM-VGOFRKELSA-N 1 1 406.526 4.501 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139245 559153200 /nfs/dbraw/zinc/15/32/00/559153200.db2.gz RKFDHFPSUFILLM-VGOFRKELSA-N 1 1 406.526 4.501 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1 ZINC000023331605 559170429 /nfs/dbraw/zinc/17/04/29/559170429.db2.gz OLJJTTSCUXXOAH-XMMPIXPASA-N 1 1 424.466 4.960 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004900797 559199526 /nfs/dbraw/zinc/19/95/26/559199526.db2.gz FATRGVRTJVAPKS-GOSISDBHSA-N 1 1 411.571 4.843 50 0 HJAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)Cc1ccccc1 ZINC000005050510 559237028 /nfs/dbraw/zinc/23/70/28/559237028.db2.gz WPEKGZHFOIYRPK-UHFFFAOYSA-N 1 1 406.551 4.950 50 0 HJAAMO CC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000105050284 560860814 /nfs/dbraw/zinc/86/08/14/560860814.db2.gz GFEIWMIZKVDXPZ-LADGPHEKSA-N 1 1 414.540 4.993 50 0 HJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)[nH]1 ZINC000012301594 568464097 /nfs/dbraw/zinc/46/40/97/568464097.db2.gz DBBOLMICLOLCQZ-INIZCTEOSA-N 1 1 418.969 4.573 50 0 HJAAMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@H+]2C1 ZINC000085884986 568470651 /nfs/dbraw/zinc/47/06/51/568470651.db2.gz NEMWYOKGHGSVSC-HWVOOSAZSA-N 1 1 415.662 4.563 50 0 biogenic HJAAMO COc1cc(C[NH2+][C@H](C)c2ccccc2Br)cc(OC)c1OC(F)F ZINC000022777792 568499489 /nfs/dbraw/zinc/49/94/89/568499489.db2.gz QNBVUDQYBYYCEX-LLVKDONJSA-N 1 1 416.262 4.919 50 0 HJAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000095958285 568669523 /nfs/dbraw/zinc/66/95/23/568669523.db2.gz FRNPLODHEYPRMF-QGZVFWFLSA-N 1 1 412.534 4.554 50 0 HJAAMO CCOCCC1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCC1 ZINC000095993261 568678042 /nfs/dbraw/zinc/67/80/42/568678042.db2.gz KBXHTJWOJXKONS-HXUWFJFHSA-N 1 1 401.595 4.596 50 0 HJAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290778 568720616 /nfs/dbraw/zinc/72/06/16/568720616.db2.gz NWOONMAUMIPJAJ-NRFANRHFSA-N 1 1 421.560 4.864 50 0 HJAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+]1CCCCC1)c1ccccc1CC2 ZINC000000869972 568725839 /nfs/dbraw/zinc/72/58/39/568725839.db2.gz QTJNGVPQSUTHAQ-UHFFFAOYSA-N 1 1 407.514 4.504 50 0 HJAAMO Cc1nc([C@@H](C)[N@H+]2CCC[C@](O)(c3ccccc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000241383461 568731286 /nfs/dbraw/zinc/73/12/86/568731286.db2.gz MVMCQKXKAMRFEU-HOYKHHGWSA-N 1 1 410.945 5.738 50 0 HJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)C1 ZINC000096323685 568732746 /nfs/dbraw/zinc/73/27/46/568732746.db2.gz DCBBOSKEGIPFIM-MRXNPFEDSA-N 1 1 410.493 4.562 50 0 HJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000021794332 568753365 /nfs/dbraw/zinc/75/33/65/568753365.db2.gz BXYUQOXGRYXKST-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794332 568753367 /nfs/dbraw/zinc/75/33/67/568753367.db2.gz BXYUQOXGRYXKST-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO CCOc1ccc(N2C3=CCCCC[N@H+]3[C@H](C)[C@@]2(O)c2ccc(OCC)cc2)cc1 ZINC000096563789 568760607 /nfs/dbraw/zinc/76/06/07/568760607.db2.gz NTWMFFYUARFUFQ-KBMIEXCESA-N 1 1 408.542 4.865 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)C1CCCCC1 ZINC000003044805 568848595 /nfs/dbraw/zinc/84/85/95/568848595.db2.gz UUMVMSLBKZROIN-UHFFFAOYSA-N 1 1 402.542 4.681 50 0 HJAAMO 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/nfs/dbraw/zinc/89/36/43/568893643.db2.gz HHUALMUVKVKDEE-AWEZNQCLSA-N 1 1 408.329 4.536 50 0 HJAAMO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000012769037 568950149 /nfs/dbraw/zinc/95/01/49/568950149.db2.gz XWYHYMYHORGSLN-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000012769037 568950150 /nfs/dbraw/zinc/95/01/50/568950150.db2.gz XWYHYMYHORGSLN-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012891283 569020061 /nfs/dbraw/zinc/02/00/61/569020061.db2.gz UDOJVDYYJWRAHT-ROUUACIJSA-N 1 1 402.494 4.604 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000012897983 569020408 /nfs/dbraw/zinc/02/04/08/569020408.db2.gz JETQNSUEVZOAGV-NSHDSACASA-N 1 1 414.811 4.547 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000012897983 569020409 /nfs/dbraw/zinc/02/04/09/569020409.db2.gz JETQNSUEVZOAGV-NSHDSACASA-N 1 1 414.811 4.547 50 0 HJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000012897976 569020421 /nfs/dbraw/zinc/02/04/21/569020421.db2.gz JETQNSUEVZOAGV-LLVKDONJSA-N 1 1 414.811 4.547 50 0 HJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000012897976 569020422 /nfs/dbraw/zinc/02/04/22/569020422.db2.gz JETQNSUEVZOAGV-LLVKDONJSA-N 1 1 414.811 4.547 50 0 HJAAMO O=c1nc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296765 569054108 /nfs/dbraw/zinc/05/41/08/569054108.db2.gz DGNAVYCUSZQRHE-CABCVRRESA-N 1 1 413.974 5.729 50 0 HJAAMO O=c1nc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296765 569054109 /nfs/dbraw/zinc/05/41/09/569054109.db2.gz DGNAVYCUSZQRHE-CABCVRRESA-N 1 1 413.974 5.729 50 0 HJAAMO COc1ccccc1[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000239339140 569054217 /nfs/dbraw/zinc/05/42/17/569054217.db2.gz LTBHDKLBZYZJDK-LGTGVMGWSA-N 1 1 401.550 5.583 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065616 569085840 /nfs/dbraw/zinc/08/58/40/569085840.db2.gz IIBDQWAXGXBQEJ-LJQANCHMSA-N 1 1 409.530 4.861 50 0 HJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065616 569085841 /nfs/dbraw/zinc/08/58/41/569085841.db2.gz IIBDQWAXGXBQEJ-LJQANCHMSA-N 1 1 409.530 4.861 50 0 HJAAMO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036102937 569092072 /nfs/dbraw/zinc/09/20/72/569092072.db2.gz MJVKAFBATXGMKB-QHCPKHFHSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036102937 569092074 /nfs/dbraw/zinc/09/20/74/569092074.db2.gz MJVKAFBATXGMKB-QHCPKHFHSA-N 1 1 409.501 4.585 50 0 HJAAMO CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146318 569098678 /nfs/dbraw/zinc/09/86/78/569098678.db2.gz FDNWKKVCEHPPHI-SFTDATJTSA-N 1 1 404.913 4.635 50 0 HJAAMO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306882 569129311 /nfs/dbraw/zinc/12/93/11/569129311.db2.gz ODKPYTXAVZHQQN-QGZVFWFLSA-N 1 1 409.505 4.611 50 0 HJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306586 569129440 /nfs/dbraw/zinc/12/94/40/569129440.db2.gz FKGAHUYUPABALT-LJQANCHMSA-N 1 1 405.542 4.781 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036316510 569135229 /nfs/dbraw/zinc/13/52/29/569135229.db2.gz OWGUDXHBWCGLTL-GOSISDBHSA-N 1 1 411.521 4.959 50 0 HJAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345512 569143261 /nfs/dbraw/zinc/14/32/61/569143261.db2.gz MHSZOEQBTQFJKF-XMMPIXPASA-N 1 1 407.533 4.852 50 0 HJAAMO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000036345688 569143350 /nfs/dbraw/zinc/14/33/50/569143350.db2.gz PNJWCAYMOOHPGG-NBGIEHNGSA-N 1 1 419.569 4.864 50 0 HJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036347584 569144266 /nfs/dbraw/zinc/14/42/66/569144266.db2.gz SQKAYWZMPCAEGP-HSZRJFAPSA-N 1 1 422.525 4.518 50 0 HJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036347584 569144267 /nfs/dbraw/zinc/14/42/67/569144267.db2.gz SQKAYWZMPCAEGP-HSZRJFAPSA-N 1 1 422.525 4.518 50 0 HJAAMO Cc1ccc(Cn2cc(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3ccccc32)cc1 ZINC000006858147 569156858 /nfs/dbraw/zinc/15/68/58/569156858.db2.gz ZLIWDXXZRZLCHX-QFIPXVFZSA-N 1 1 417.597 4.921 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2cc(Br)ccc2s1 ZINC000170613953 569246757 /nfs/dbraw/zinc/24/67/57/569246757.db2.gz DYWSESICKUPINO-BBRMVZONSA-N 1 1 407.377 4.658 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000638039 569281725 /nfs/dbraw/zinc/28/17/25/569281725.db2.gz FDQINJWNCGYVAS-BJKOFHAPSA-N 1 1 410.452 4.938 50 0 HJAAMO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443990 569285869 /nfs/dbraw/zinc/28/58/69/569285869.db2.gz LNFWCHZNNUOIQJ-FDDCHVKYSA-N 1 1 411.571 4.607 50 0 HJAAMO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443990 569285871 /nfs/dbraw/zinc/28/58/71/569285871.db2.gz LNFWCHZNNUOIQJ-FDDCHVKYSA-N 1 1 411.571 4.607 50 0 HJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c2ccccc2)cc1 ZINC000007606423 569295180 /nfs/dbraw/zinc/29/51/80/569295180.db2.gz WPBDKNVLMQCNAY-ZJSXRUAMSA-N 1 1 406.551 4.799 50 0 HJAAMO C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CC[NH+](C)CC3)cc21 ZINC000253495762 569381910 /nfs/dbraw/zinc/38/19/10/569381910.db2.gz QKAAFTHACJHSBG-IBGZPJMESA-N 1 1 407.627 4.902 50 0 HJAAMO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000013002052 569406383 /nfs/dbraw/zinc/40/63/83/569406383.db2.gz UHOYCNIVVOFIJJ-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000013002052 569406384 /nfs/dbraw/zinc/40/63/84/569406384.db2.gz UHOYCNIVVOFIJJ-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO COc1ccc(C[NH2+][C@H](CCSC)c2nc3ccccc3[nH]2)cc1Br ZINC000078739005 569420152 /nfs/dbraw/zinc/42/01/52/569420152.db2.gz LHPSTCUGMLEJCY-QGZVFWFLSA-N 1 1 420.376 4.918 50 0 HJAAMO COc1ccc(C[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1OC(F)F ZINC000079053315 569425683 /nfs/dbraw/zinc/42/56/83/569425683.db2.gz IMSQICPXDMAPPI-UHFFFAOYSA-N 1 1 410.486 4.702 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000008938978 571166241 /nfs/dbraw/zinc/16/62/41/571166241.db2.gz SQJIBBJCSZLYLT-OAQYLSRUSA-N 1 1 423.582 4.881 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000008938978 571166243 /nfs/dbraw/zinc/16/62/43/571166243.db2.gz SQJIBBJCSZLYLT-OAQYLSRUSA-N 1 1 423.582 4.881 50 0 HJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@H]2C)[C@H](c2ccc(C)cc2)C1 ZINC000245279949 571222701 /nfs/dbraw/zinc/22/27/01/571222701.db2.gz KSSOMGAEUWGTST-XXBNENTESA-N 1 1 405.542 4.556 50 0 HJAAMO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000001844617 132248150 /nfs/dbraw/zinc/24/81/50/132248150.db2.gz DHGHSFLMGHTRJL-UHFFFAOYSA-N 1 1 415.965 4.913 50 0 HJAAMO OC[C@]1(Cc2ccccc2F)CCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000012448719 132360833 /nfs/dbraw/zinc/36/08/33/132360833.db2.gz HRYMJGUMZOQFGW-DEOSSOPVSA-N 1 1 416.968 4.765 50 0 HJAAMO CC(=O)N1CCc2cc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)ccc21 ZINC000032904227 519631443 /nfs/dbraw/zinc/63/14/43/519631443.db2.gz AEVGFNQNBUWAFX-UHFFFAOYSA-N 1 1 405.542 4.612 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1 ZINC000043004969 524027548 /nfs/dbraw/zinc/02/75/48/524027548.db2.gz RLSWMEVSSCRSCG-MRXNPFEDSA-N 1 1 413.468 4.752 50 0 HJAAMO Cc1cccc(C(C)C)c1NC(=O)CSc1nc(C[NH+](C)C)nc2ccccc21 ZINC000032865929 524234949 /nfs/dbraw/zinc/23/49/49/524234949.db2.gz SBVHKQROABKHEQ-UHFFFAOYSA-N 1 1 408.571 4.854 50 0 HJAAMO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000040216585 525508880 /nfs/dbraw/zinc/50/88/80/525508880.db2.gz OHEWWRQHRXUARZ-FMIVXFBMSA-N 1 1 423.564 4.849 50 0 HJAAMO O=C(c1ccc2ncsc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023967982 526740545 /nfs/dbraw/zinc/74/05/45/526740545.db2.gz MEKPHJIUBOPEED-UHFFFAOYSA-N 1 1 413.546 4.844 50 0 HJAAMO O=C(c1cccs1)N1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000032717148 526837891 /nfs/dbraw/zinc/83/78/91/526837891.db2.gz WWNZBYKCMQWGHW-UHFFFAOYSA-N 1 1 401.535 4.854 50 0 HJAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](C)CC3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000034678454 557366596 /nfs/dbraw/zinc/36/65/96/557366596.db2.gz WTBXOQJRUSHCGO-UHFFFAOYSA-N 1 1 409.599 4.745 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3F)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000002917722 557426767 /nfs/dbraw/zinc/42/67/67/557426767.db2.gz BUONHBQGPCMUIN-BJKOFHAPSA-N 1 1 410.452 4.938 50 0 HJAAMO COc1ccc(OC)c(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000004749410 557592474 /nfs/dbraw/zinc/59/24/74/557592474.db2.gz SRESQFCSUJUCOF-UHFFFAOYSA-N 1 1 405.336 4.543 50 0 HJAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC1CCCC1 ZINC000004832125 557604079 /nfs/dbraw/zinc/60/40/79/557604079.db2.gz MGFJUSRPCQTGFX-HXUWFJFHSA-N 1 1 408.542 4.867 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCc3ccccn3)c(C)o2)cc1 ZINC000011661835 558265632 /nfs/dbraw/zinc/26/56/32/558265632.db2.gz SRBKNHAWHLPDFT-QFIPXVFZSA-N 1 1 419.525 4.819 50 0 HJAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011663425 558267029 /nfs/dbraw/zinc/26/70/29/558267029.db2.gz MYPQFTIVGKABJV-HSZRJFAPSA-N 1 1 403.517 4.553 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841827 558287408 /nfs/dbraw/zinc/28/74/08/558287408.db2.gz NTXSGOVGEWLNTC-HNNXBMFYSA-N 1 1 405.947 4.871 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841827 558287410 /nfs/dbraw/zinc/28/74/10/558287410.db2.gz NTXSGOVGEWLNTC-HNNXBMFYSA-N 1 1 405.947 4.871 50 0 HJAAMO CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)c1 ZINC000011842813 558287941 /nfs/dbraw/zinc/28/79/41/558287941.db2.gz DLUZPFAMMFRPET-VWLOTQADSA-N 1 1 411.590 4.544 50 0 HJAAMO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1=O ZINC000011878529 558293071 /nfs/dbraw/zinc/29/30/71/558293071.db2.gz ABZHYZFGMOHIPZ-LJQANCHMSA-N 1 1 419.525 4.743 50 0 HJAAMO C[N@H+](Cc1ccco1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011880118 558294694 /nfs/dbraw/zinc/29/46/94/558294694.db2.gz HGQUMUVNJZQFDT-UHFFFAOYSA-N 1 1 401.466 4.552 50 0 HJAAMO C[N@@H+](Cc1ccco1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011880118 558294695 /nfs/dbraw/zinc/29/46/95/558294695.db2.gz HGQUMUVNJZQFDT-UHFFFAOYSA-N 1 1 401.466 4.552 50 0 HJAAMO COc1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1OC ZINC000019851647 558295672 /nfs/dbraw/zinc/29/56/72/558295672.db2.gz IMRBUBWMVRAHQR-UHFFFAOYSA-N 1 1 418.537 4.814 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000011949080 558302552 /nfs/dbraw/zinc/30/25/52/558302552.db2.gz OIYVWPRAGBZONU-HNNXBMFYSA-N 1 1 415.946 4.691 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000011949080 558302554 /nfs/dbraw/zinc/30/25/54/558302554.db2.gz OIYVWPRAGBZONU-HNNXBMFYSA-N 1 1 415.946 4.691 50 0 HJAAMO O=C(Nc1ccc(F)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149585 558340367 /nfs/dbraw/zinc/34/03/67/558340367.db2.gz XSNKGWDDFMQIOF-UHFFFAOYSA-N 1 1 407.464 4.904 50 0 HJAAMO CCCn1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000012192958 558348438 /nfs/dbraw/zinc/34/84/38/558348438.db2.gz GADWXYQRYAOHRZ-QFIPXVFZSA-N 1 1 405.542 4.858 50 0 HJAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020390714 558359147 /nfs/dbraw/zinc/35/91/47/558359147.db2.gz QYPWMXPBBPNWNY-UHFFFAOYSA-N 1 1 415.522 4.633 50 0 HJAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020390714 558359148 /nfs/dbraw/zinc/35/91/48/558359148.db2.gz QYPWMXPBBPNWNY-UHFFFAOYSA-N 1 1 415.522 4.633 50 0 HJAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)c1 ZINC000012304895 558373821 /nfs/dbraw/zinc/37/38/21/558373821.db2.gz MVVBQPCIUZXHRV-SANMLTNESA-N 1 1 419.569 4.519 50 0 HJAAMO c1ccc(CN2CC[NH+](CCOCCOc3ccccc3-c3ccccc3)CC2)cc1 ZINC000020500142 558380681 /nfs/dbraw/zinc/38/06/81/558380681.db2.gz KTJFSNZMMFRYOH-UHFFFAOYSA-N 1 1 416.565 4.567 50 0 HJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000012981725 558493572 /nfs/dbraw/zinc/49/35/72/558493572.db2.gz AEEOFCFTJDDJHX-LJQANCHMSA-N 1 1 419.319 4.967 50 0 HJAAMO COc1ccc(C(C)=O)cc1CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025076447 558630587 /nfs/dbraw/zinc/63/05/87/558630587.db2.gz MFJBOUJDLYHTCU-UHFFFAOYSA-N 1 1 420.475 4.625 50 0 HJAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@H](C)O1 ZINC000025080997 558630921 /nfs/dbraw/zinc/63/09/21/558630921.db2.gz WSDUDPYGJOQHTF-IRXDYDNUSA-N 1 1 407.539 4.672 50 0 HJAAMO O=C(CCc1nc2ccccc2s1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010975561 558633271 /nfs/dbraw/zinc/63/32/71/558633271.db2.gz GTURELVPRYMCML-UHFFFAOYSA-N 1 1 413.974 4.617 50 0 HJAAMO O=C(CCc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010975561 558633274 /nfs/dbraw/zinc/63/32/74/558633274.db2.gz GTURELVPRYMCML-UHFFFAOYSA-N 1 1 413.974 4.617 50 0 HJAAMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000014198944 558635024 /nfs/dbraw/zinc/63/50/24/558635024.db2.gz QDMMADIAJGCNIO-IBGZPJMESA-N 1 1 413.518 4.584 50 0 HJAAMO O=C1N[C@@H](/C=C\c2ccccc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004525917 558653344 /nfs/dbraw/zinc/65/33/44/558653344.db2.gz AGPRADGRDMXMEJ-AXUYNXDZSA-N 1 1 401.535 4.501 50 0 HJAAMO O=C1N[C@@H](/C=C\c2ccccc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004525917 558653347 /nfs/dbraw/zinc/65/33/47/558653347.db2.gz AGPRADGRDMXMEJ-AXUYNXDZSA-N 1 1 401.535 4.501 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cl ZINC000014948736 558680429 /nfs/dbraw/zinc/68/04/29/558680429.db2.gz JJPAOVCFIKSWBL-KRWDZBQOSA-N 1 1 412.961 4.947 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000014959394 558683452 /nfs/dbraw/zinc/68/34/52/558683452.db2.gz IKKIYSDRBJQCRD-LJQANCHMSA-N 1 1 401.938 4.519 50 0 HJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000014985413 558692895 /nfs/dbraw/zinc/69/28/95/558692895.db2.gz MLQZJCARJGZRNI-LJQANCHMSA-N 1 1 409.917 4.896 50 0 HJAAMO O=C(c1cccc(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1)N1CCCC1 ZINC000015073591 558714564 /nfs/dbraw/zinc/71/45/64/558714564.db2.gz PPWARJSLEGLJTR-UHFFFAOYSA-N 1 1 416.924 4.759 50 0 HJAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)CCC3)c1 ZINC000004554483 558722192 /nfs/dbraw/zinc/72/21/92/558722192.db2.gz VREGBMGZNYXOBI-UHFFFAOYSA-N 1 1 411.571 4.612 50 0 HJAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000072294152 558738501 /nfs/dbraw/zinc/73/85/01/558738501.db2.gz JDXCQYVPKPKVOT-NRFANRHFSA-N 1 1 406.574 4.805 50 0 HJAAMO CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344146 558799153 /nfs/dbraw/zinc/79/91/53/558799153.db2.gz PYBDPORBKQZPMM-VWLOTQADSA-N 1 1 419.569 4.866 50 0 HJAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F ZINC000016684985 558799806 /nfs/dbraw/zinc/79/98/06/558799806.db2.gz WJKSZIOPBVLXBE-OAQYLSRUSA-N 1 1 411.864 4.506 50 0 HJAAMO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)c3c2C1 ZINC000054360504 558867659 /nfs/dbraw/zinc/86/76/59/558867659.db2.gz RHKBPTWTEQWDCS-OAHLLOKOSA-N 1 1 412.990 4.792 50 0 HJAAMO COc1cc(Cl)ccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072331352 558867985 /nfs/dbraw/zinc/86/79/85/558867985.db2.gz ZKXJGPIMRXPBNH-UHFFFAOYSA-N 1 1 420.940 4.896 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000004669137 558876941 /nfs/dbraw/zinc/87/69/41/558876941.db2.gz WRKXRURXACFPIP-HXUWFJFHSA-N 1 1 402.542 4.681 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000004669138 558876984 /nfs/dbraw/zinc/87/69/84/558876984.db2.gz WRKXRURXACFPIP-FQEVSTJZSA-N 1 1 402.542 4.681 50 0 HJAAMO CSc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270030 558877884 /nfs/dbraw/zinc/87/78/84/558877884.db2.gz FIBBVOAULJLUCJ-IBGZPJMESA-N 1 1 403.551 4.545 50 0 HJAAMO CSc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270030 558877886 /nfs/dbraw/zinc/87/78/86/558877886.db2.gz FIBBVOAULJLUCJ-IBGZPJMESA-N 1 1 403.551 4.545 50 0 HJAAMO COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158048 558903622 /nfs/dbraw/zinc/90/36/22/558903622.db2.gz DYZQQHXIDHBYBB-MZNJEOGPSA-N 1 1 408.929 4.905 50 0 HJAAMO COc1ccc(-c2noc(C[N@H+](Cc3cccc(Cl)c3)C(C)C)n2)cc1OC ZINC000059038133 558931663 /nfs/dbraw/zinc/93/16/63/558931663.db2.gz OGQQWGIQLRKTJN-UHFFFAOYSA-N 1 1 401.894 4.818 50 0 HJAAMO COc1ccc(-c2noc(C[N@@H+](Cc3cccc(Cl)c3)C(C)C)n2)cc1OC ZINC000059038133 558931665 /nfs/dbraw/zinc/93/16/65/558931665.db2.gz OGQQWGIQLRKTJN-UHFFFAOYSA-N 1 1 401.894 4.818 50 0 HJAAMO CCCCc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)[nH]1 ZINC000072440151 558981415 /nfs/dbraw/zinc/98/14/15/558981415.db2.gz MEHFGNNSALYJGI-DEOSSOPVSA-N 1 1 400.611 4.537 50 0 HJAAMO CCCCc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH]1 ZINC000072440151 558981420 /nfs/dbraw/zinc/98/14/20/558981420.db2.gz MEHFGNNSALYJGI-DEOSSOPVSA-N 1 1 400.611 4.537 50 0 HJAAMO CCCCc1nc(C[N@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH]1 ZINC000072440151 558981424 /nfs/dbraw/zinc/98/14/24/558981424.db2.gz MEHFGNNSALYJGI-DEOSSOPVSA-N 1 1 400.611 4.537 50 0 HJAAMO CC(C)n1cc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1 ZINC000072480617 558984121 /nfs/dbraw/zinc/98/41/21/558984121.db2.gz ADYVHJLWPDJPCV-UHFFFAOYSA-N 1 1 407.484 4.513 50 0 HJAAMO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000023128758 559017763 /nfs/dbraw/zinc/01/77/63/559017763.db2.gz CLTIPXJEAUYNHR-FQEVSTJZSA-N 1 1 419.500 4.742 50 0 HJAAMO Cc1ccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)cc1 ZINC000004908777 559201076 /nfs/dbraw/zinc/20/10/76/559201076.db2.gz UWFIDYGSFKOAFK-QHCPKHFHSA-N 1 1 400.563 4.866 50 0 HJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004909956 559201557 /nfs/dbraw/zinc/20/15/57/559201557.db2.gz VCOPJBRRDLHHMG-UHFFFAOYSA-N 1 1 420.557 4.839 50 0 HJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939546 559212772 /nfs/dbraw/zinc/21/27/72/559212772.db2.gz RKVJZLVQMJXMGA-UHFFFAOYSA-N 1 1 400.544 4.558 50 0 HJAAMO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000248176862 559268213 /nfs/dbraw/zinc/26/82/13/559268213.db2.gz WEUQCIONJNMBFM-VXKWHMMOSA-N 1 1 408.542 4.642 50 0 HJAAMO CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000248176862 559268216 /nfs/dbraw/zinc/26/82/16/559268216.db2.gz WEUQCIONJNMBFM-VXKWHMMOSA-N 1 1 408.542 4.642 50 0 HJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000007064864 560206648 /nfs/dbraw/zinc/20/66/48/560206648.db2.gz YQITXDDUZAGSSZ-NMNUPHIUSA-N 1 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000003429376 560594580 /nfs/dbraw/zinc/59/45/80/560594580.db2.gz PPQJDTDZMUGXHN-GOSISDBHSA-N 1 1 402.966 4.727 50 0 HJAAMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000003429376 560594582 /nfs/dbraw/zinc/59/45/82/560594582.db2.gz PPQJDTDZMUGXHN-GOSISDBHSA-N 1 1 402.966 4.727 50 0 HJAAMO CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000206792575 560747758 /nfs/dbraw/zinc/74/77/58/560747758.db2.gz VDZVTAHSCFEJSN-GOSISDBHSA-N 1 1 415.525 4.919 50 0 HJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000103683543 560843857 /nfs/dbraw/zinc/84/38/57/560843857.db2.gz JUQKPGKVJWZPAC-LLGFUMIMSA-N 1 1 406.979 4.623 50 0 HJAAMO CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984437 560859038 /nfs/dbraw/zinc/85/90/38/560859038.db2.gz PJQRPLUIFPUTDT-RBBKRZOGSA-N 1 1 416.949 4.505 50 0 HJAAMO CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984440 560859085 /nfs/dbraw/zinc/85/90/85/560859085.db2.gz PJQRPLUIFPUTDT-IFMALSPDSA-N 1 1 416.949 4.505 50 0 HJAAMO CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107076445 560895287 /nfs/dbraw/zinc/89/52/87/560895287.db2.gz SAMLGIHCWFIGND-DYESRHJHSA-N 1 1 410.518 4.554 50 0 HJAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032258 568424593 /nfs/dbraw/zinc/42/45/93/568424593.db2.gz NPWLLJRGOWTEAG-UHFFFAOYSA-N 1 1 404.967 4.514 50 0 HJAAMO COc1ccccc1[C@@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)[NH+](C)C ZINC000007966232 568660553 /nfs/dbraw/zinc/66/05/53/568660553.db2.gz XEJGRBBGHGUZDB-OAQYLSRUSA-N 1 1 402.494 4.936 50 0 HJAAMO Cc1ccccc1Cn1cc(CCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000021527981 568709673 /nfs/dbraw/zinc/70/96/73/568709673.db2.gz SGKJSPWNJRYJFW-QFIPXVFZSA-N 1 1 417.597 4.921 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714889 568748811 /nfs/dbraw/zinc/74/88/11/568748811.db2.gz BSYPNEXPLPWBTM-QGZVFWFLSA-N 1 1 401.461 4.630 50 0 HJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794310 568753408 /nfs/dbraw/zinc/75/34/08/568753408.db2.gz ICZUSIPGLSMRQR-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021794310 568753410 /nfs/dbraw/zinc/75/34/10/568753410.db2.gz ICZUSIPGLSMRQR-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO O=C(c1ccc2cccc(F)c2n1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012458247 568756362 /nfs/dbraw/zinc/75/63/62/568756362.db2.gz NPHXOGRUXGHQEX-SANMLTNESA-N 1 1 417.528 4.545 50 0 HJAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2c1 ZINC000021934401 568761998 /nfs/dbraw/zinc/76/19/98/568761998.db2.gz QPLMZSDFXPOWAL-UHFFFAOYSA-N 1 1 424.548 4.857 50 0 HJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000002915228 568816312 /nfs/dbraw/zinc/81/63/12/568816312.db2.gz NJAZZHWKFVUXHE-LOSJGSFVSA-N 1 1 422.488 4.808 50 0 HJAAMO COc1ccc(C[NH2+][C@H]2C3=C(CCCC3)C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000057381670 568830597 /nfs/dbraw/zinc/83/05/97/568830597.db2.gz QNCJZFGZSWVXKG-HSZRJFAPSA-N 1 1 410.945 4.720 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000057383199 568830729 /nfs/dbraw/zinc/83/07/29/568830729.db2.gz WCHUHELPOFUUPW-XMMPIXPASA-N 1 1 416.550 4.868 50 0 HJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 ZINC000057435571 568836717 /nfs/dbraw/zinc/83/67/17/568836717.db2.gz XICAEPLVEOYKCK-DEOSSOPVSA-N 1 1 419.550 4.501 50 0 HJAAMO C[C@@H]1C[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012561502 568858537 /nfs/dbraw/zinc/85/85/37/568858537.db2.gz MUDFBKCKCRBPPG-MRUHUIDDSA-N 1 1 424.368 4.570 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384824 568893134 /nfs/dbraw/zinc/89/31/34/568893134.db2.gz IHYLSDNEOHHCAD-GFCCVEGCSA-N 1 1 400.828 4.826 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384824 568893137 /nfs/dbraw/zinc/89/31/37/568893137.db2.gz IHYLSDNEOHHCAD-GFCCVEGCSA-N 1 1 400.828 4.826 50 0 HJAAMO CCCC[N@@H+](CCNc1ncnc2onc(-c3ccccc3OC)c21)Cc1ccco1 ZINC000015822019 569010784 /nfs/dbraw/zinc/01/07/84/569010784.db2.gz IKGDSYFLFIIDBL-UHFFFAOYSA-N 1 1 421.501 4.601 50 0 HJAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)CC1 ZINC000004809021 569071514 /nfs/dbraw/zinc/07/15/14/569071514.db2.gz SOQSWCXDRRQIGC-UHFFFAOYSA-N 1 1 411.571 4.550 50 0 HJAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065581 569085898 /nfs/dbraw/zinc/08/58/98/569085898.db2.gz HTNGFDXIVIFVGP-LJQANCHMSA-N 1 1 421.541 4.660 50 0 HJAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065581 569085900 /nfs/dbraw/zinc/08/59/00/569085900.db2.gz HTNGFDXIVIFVGP-LJQANCHMSA-N 1 1 421.541 4.660 50 0 HJAAMO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095353 569089817 /nfs/dbraw/zinc/08/98/17/569089817.db2.gz PURJQIGSNKRCCC-QFIPXVFZSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccc(C[N@H+](Cc2ccccc2F)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095353 569089819 /nfs/dbraw/zinc/08/98/19/569089819.db2.gz PURJQIGSNKRCCC-QFIPXVFZSA-N 1 1 409.501 4.585 50 0 HJAAMO CCNc1nc(Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc(C)[nH+]1 ZINC000064800802 569097370 /nfs/dbraw/zinc/09/73/70/569097370.db2.gz CBNJXENAYDCSEM-UHFFFAOYSA-N 1 1 411.893 4.875 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800955 569097520 /nfs/dbraw/zinc/09/75/20/569097520.db2.gz UHVSASJXWILDGM-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036307391 569129415 /nfs/dbraw/zinc/12/94/15/569129415.db2.gz QHISKSTXHNMGRT-SFHVURJKSA-N 1 1 411.521 4.857 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036316491 569135249 /nfs/dbraw/zinc/13/52/49/569135249.db2.gz ATBGAODZLQIKMH-SFHVURJKSA-N 1 1 423.532 4.959 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036345437 569143156 /nfs/dbraw/zinc/14/31/56/569143156.db2.gz CCAPKJMAQNIRID-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036345437 569143157 /nfs/dbraw/zinc/14/31/57/569143157.db2.gz CCAPKJMAQNIRID-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345482 569143250 /nfs/dbraw/zinc/14/32/50/569143250.db2.gz JVNHJDQHPATQEK-DEOSSOPVSA-N 1 1 407.533 4.852 50 0 HJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000017012426 569271537 /nfs/dbraw/zinc/27/15/37/569271537.db2.gz LUBCJVYJAULPOY-UHFFFAOYSA-N 1 1 423.520 4.644 50 0 HJAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000007741590 569306022 /nfs/dbraw/zinc/30/60/22/569306022.db2.gz ULBOGVBVDIIZLU-JOCHJYFZSA-N 1 1 420.509 4.684 50 0 HJAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000007741590 569306023 /nfs/dbraw/zinc/30/60/23/569306023.db2.gz ULBOGVBVDIIZLU-JOCHJYFZSA-N 1 1 420.509 4.684 50 0 HJAAMO CCOc1cc([C@@H]2[NH2+]Cc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC ZINC000055008575 569375293 /nfs/dbraw/zinc/37/52/93/569375293.db2.gz ARBJEHCUMUOEKN-VWLOTQADSA-N 1 1 422.525 4.875 50 0 HJAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000040108842 571168334 /nfs/dbraw/zinc/16/83/34/571168334.db2.gz PLJMGEPXBZWMGI-OAHLLOKOSA-N 1 1 421.994 4.536 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000040158643 571205096 /nfs/dbraw/zinc/20/50/96/571205096.db2.gz XXGOVYJGPKSPOK-MRXNPFEDSA-N 1 1 403.473 4.984 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245237697 571219198 /nfs/dbraw/zinc/21/91/98/571219198.db2.gz RKFDHFPSUFILLM-JTSKRJEESA-N 1 1 406.526 4.501 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245237697 571219200 /nfs/dbraw/zinc/21/92/00/571219200.db2.gz RKFDHFPSUFILLM-JTSKRJEESA-N 1 1 406.526 4.501 50 0 HJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010413496 571302167 /nfs/dbraw/zinc/30/21/67/571302167.db2.gz HZLBIPXXYYZAEB-UHFFFAOYSA-N 1 1 408.329 4.742 50 0 HJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCOCC2)cc1Cl ZINC000001447555 132246274 /nfs/dbraw/zinc/24/62/74/132246274.db2.gz KJPQRJIHXSPTMM-UHFFFAOYSA-N 1 1 404.901 4.886 50 0 HJAAMO COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000004821476 132289800 /nfs/dbraw/zinc/28/98/00/132289800.db2.gz WLZVTYGBLGDINW-UHFFFAOYSA-N 1 1 409.917 4.506 50 0 HJAAMO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1Cl ZINC000006241907 132309817 /nfs/dbraw/zinc/30/98/17/132309817.db2.gz BBGHGHHBKDILEX-UHFFFAOYSA-N 1 1 422.356 4.786 50 0 HJAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000020209549 520457622 /nfs/dbraw/zinc/45/76/22/520457622.db2.gz SAJSPOFYMMGGSW-UHFFFAOYSA-N 1 1 424.566 4.911 50 0 HJAAMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCc2ncccc2F)n1 ZINC000225814311 521939808 /nfs/dbraw/zinc/93/98/08/521939808.db2.gz UQBBFNBPRBNIFA-UHFFFAOYSA-N 1 1 407.518 4.609 50 0 HJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000029487966 522518972 /nfs/dbraw/zinc/51/89/72/522518972.db2.gz BRTFDXWYCOLUQG-HSZRJFAPSA-N 1 1 417.484 4.636 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)n1c2ccccc2oc1=O ZINC000032904228 524277282 /nfs/dbraw/zinc/27/72/82/524277282.db2.gz SFQGGHWTKBHFSZ-KRWDZBQOSA-N 1 1 407.514 4.559 50 0 HJAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000032901384 525884001 /nfs/dbraw/zinc/88/40/01/525884001.db2.gz JJEGBUXDECEGPF-SJLPKXTDSA-N 1 1 408.477 4.596 50 0 HJAAMO Cc1cccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004561330 557568079 /nfs/dbraw/zinc/56/80/79/557568079.db2.gz SQSYNFARLMOAIA-QFIPXVFZSA-N 1 1 400.975 4.887 50 0 HJAAMO Cc1cccc(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004561330 557568080 /nfs/dbraw/zinc/56/80/80/557568080.db2.gz SQSYNFARLMOAIA-QFIPXVFZSA-N 1 1 400.975 4.887 50 0 HJAAMO CC1(C)Oc2ccc(NC(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)cc2O1 ZINC000006668277 557713160 /nfs/dbraw/zinc/71/31/60/557713160.db2.gz NFCZQUWAWYGQEJ-UHFFFAOYSA-N 1 1 402.494 4.835 50 0 HJAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000022776538 557816845 /nfs/dbraw/zinc/81/68/45/557816845.db2.gz CAUSKNMTDJQOOY-UHFFFAOYSA-N 1 1 419.491 4.585 50 0 HJAAMO COCC[N@@H+](Cc1ccc([O-])c(Cl)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011754166 558272751 /nfs/dbraw/zinc/27/27/51/558272751.db2.gz MUWIKGFBFFXFOM-UHFFFAOYSA-N 1 1 420.956 4.545 50 0 HJAAMO COCC[N@H+](Cc1ccc([O-])c(Cl)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011754166 558272754 /nfs/dbraw/zinc/27/27/54/558272754.db2.gz MUWIKGFBFFXFOM-UHFFFAOYSA-N 1 1 420.956 4.545 50 0 HJAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)c1 ZINC000011768988 558274057 /nfs/dbraw/zinc/27/40/57/558274057.db2.gz HPTSMVIHDDEBDU-FOCSQWHNSA-N 1 1 410.602 4.628 50 0 HJAAMO c1c(-c2ccc(-c3ccccc3)cc2)nc2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000019757173 558274825 /nfs/dbraw/zinc/27/48/25/558274825.db2.gz WDTBSLLEZWATIH-UHFFFAOYSA-N 1 1 422.532 4.955 50 0 HJAAMO O=C(/C=C/c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019760259 558276256 /nfs/dbraw/zinc/27/62/56/558276256.db2.gz BBLNETKIKRXGAT-DTQAZKPQSA-N 1 1 400.497 4.773 50 0 HJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)NCc1ccccc1F ZINC000011814188 558278500 /nfs/dbraw/zinc/27/85/00/558278500.db2.gz JPCWFAULSIDQLE-QGZVFWFLSA-N 1 1 420.475 4.736 50 0 HJAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019781790 558281125 /nfs/dbraw/zinc/28/11/25/558281125.db2.gz RCKATCQQUOVUCF-UHFFFAOYSA-N 1 1 413.281 4.786 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCC2CCOCC2)c1 ZINC000011842876 558287992 /nfs/dbraw/zinc/28/79/92/558287992.db2.gz FHLQMNYSHFQMKZ-UHFFFAOYSA-N 1 1 405.542 4.796 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298771 558368673 /nfs/dbraw/zinc/36/86/73/558368673.db2.gz JEHUPEDYXRCRIN-FQEVSTJZSA-N 1 1 414.509 4.778 50 0 HJAAMO CC(C)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302222 558371790 /nfs/dbraw/zinc/37/17/90/558371790.db2.gz ONDAFLVISSPMQQ-FQEVSTJZSA-N 1 1 416.569 4.842 50 0 HJAAMO CC(C)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302222 558371792 /nfs/dbraw/zinc/37/17/92/558371792.db2.gz ONDAFLVISSPMQQ-FQEVSTJZSA-N 1 1 416.569 4.842 50 0 HJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1)Nc1ccccc1F ZINC000012305021 558374291 /nfs/dbraw/zinc/37/42/91/558374291.db2.gz HLOQOBUYSNJOMN-QGZVFWFLSA-N 1 1 424.495 4.986 50 0 HJAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000012438911 558410386 /nfs/dbraw/zinc/41/03/86/558410386.db2.gz ASXKDBYHSUTCAK-JOCHJYFZSA-N 1 1 416.569 4.504 50 0 HJAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC000020774897 558411769 /nfs/dbraw/zinc/41/17/69/558411769.db2.gz WMXHZIYNTOUUQT-IBGZPJMESA-N 1 1 409.521 4.554 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)o1 ZINC000012448589 558415370 /nfs/dbraw/zinc/41/53/70/558415370.db2.gz OBIHZOWRCAFMQX-GOSISDBHSA-N 1 1 405.498 4.880 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)s1 ZINC000012465901 558420385 /nfs/dbraw/zinc/42/03/85/558420385.db2.gz YBEZNYVKMCJAGV-SFHVURJKSA-N 1 1 421.006 4.827 50 0 HJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)ccc2c1 ZINC000012579558 558432014 /nfs/dbraw/zinc/43/20/14/558432014.db2.gz LOGCHIWVYLDAHT-QHCPKHFHSA-N 1 1 416.521 4.902 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CCCO)C2)c(F)c1 ZINC000012587929 558434910 /nfs/dbraw/zinc/43/49/10/558434910.db2.gz KSZRHIAACLNEGY-IBGZPJMESA-N 1 1 423.532 4.672 50 0 HJAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc5ccccc5o4)C3)C2)c1 ZINC000012703767 558448744 /nfs/dbraw/zinc/44/87/44/558448744.db2.gz DQHCSDACSRHIPX-RUZDIDTESA-N 1 1 404.510 4.570 50 0 HJAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000021805397 558450608 /nfs/dbraw/zinc/45/06/08/558450608.db2.gz IKQCKYGIBSJIST-OAQYLSRUSA-N 1 1 409.917 4.870 50 0 HJAAMO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000012753265 558459622 /nfs/dbraw/zinc/45/96/22/558459622.db2.gz LGBHQXDFUJEHDW-UHFFFAOYSA-N 1 1 417.981 4.550 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000012805197 558473196 /nfs/dbraw/zinc/47/31/96/558473196.db2.gz SFGWBQJSOAKQKE-NRFANRHFSA-N 1 1 423.513 4.880 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000012805197 558473198 /nfs/dbraw/zinc/47/31/98/558473198.db2.gz SFGWBQJSOAKQKE-NRFANRHFSA-N 1 1 423.513 4.880 50 0 HJAAMO O=C(c1ccc(Cl)cc1F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000013003842 558501566 /nfs/dbraw/zinc/50/15/66/558501566.db2.gz ZKCWQKXEGDTKKV-UHFFFAOYSA-N 1 1 404.272 4.643 50 0 HJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013136831 558521223 /nfs/dbraw/zinc/52/12/23/558521223.db2.gz MGBCTJNNPXMSMB-HDICACEKSA-N 1 1 414.509 4.710 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000023310901 558548514 /nfs/dbraw/zinc/54/85/14/558548514.db2.gz HQYGYAXYQBEYFR-IBGZPJMESA-N 1 1 417.509 4.517 50 0 HJAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@H](C)O1 ZINC000025080987 558630833 /nfs/dbraw/zinc/63/08/33/558630833.db2.gz WSDUDPYGJOQHTF-CALCHBBNSA-N 1 1 407.539 4.672 50 0 HJAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@H](C)O1 ZINC000025080987 558630837 /nfs/dbraw/zinc/63/08/37/558630837.db2.gz WSDUDPYGJOQHTF-CALCHBBNSA-N 1 1 407.539 4.672 50 0 HJAAMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000025821093 558651065 /nfs/dbraw/zinc/65/10/65/558651065.db2.gz WYTHXRKHPCGJGW-UHFFFAOYSA-N 1 1 424.463 4.580 50 0 HJAAMO FC(F)(F)c1cc(NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2n1 ZINC000026136945 558656376 /nfs/dbraw/zinc/65/63/76/558656376.db2.gz MTQIBACUKBFIAE-UHFFFAOYSA-N 1 1 401.432 4.698 50 0 HJAAMO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663729 558679021 /nfs/dbraw/zinc/67/90/21/558679021.db2.gz RRNGWJZTQHCSGU-JOCHJYFZSA-N 1 1 400.950 4.679 50 0 HJAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)CCc1cnn(C)c1 ZINC000014963153 558684716 /nfs/dbraw/zinc/68/47/16/558684716.db2.gz ZVJBOKWOEBFMCT-UHFFFAOYSA-N 1 1 421.495 4.534 50 0 HJAAMO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014991667 558694513 /nfs/dbraw/zinc/69/45/13/558694513.db2.gz SSCQOIJMGULRSS-IBGZPJMESA-N 1 1 409.599 4.905 50 0 HJAAMO C[N@@H+](CCn1ccnc1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015064264 558707264 /nfs/dbraw/zinc/70/72/64/558707264.db2.gz FJVBAHJNRZPVTO-UHFFFAOYSA-N 1 1 411.509 4.673 50 0 HJAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1 ZINC000015065247 558708130 /nfs/dbraw/zinc/70/81/30/558708130.db2.gz XWKLQSICCHLQOV-JOCHJYFZSA-N 1 1 403.482 4.573 50 0 HJAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000015065247 558708132 /nfs/dbraw/zinc/70/81/32/558708132.db2.gz XWKLQSICCHLQOV-JOCHJYFZSA-N 1 1 403.482 4.573 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1csc2c1CCCC2 ZINC000015080768 558718885 /nfs/dbraw/zinc/71/88/85/558718885.db2.gz PYEMRXJNKALSIG-IBGZPJMESA-N 1 1 414.590 4.793 50 0 HJAAMO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000015860075 558757812 /nfs/dbraw/zinc/75/78/12/558757812.db2.gz FDQNNNZJWGTYID-IBGZPJMESA-N 1 1 413.905 4.791 50 0 HJAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F ZINC000016684984 558799635 /nfs/dbraw/zinc/79/96/35/558799635.db2.gz WJKSZIOPBVLXBE-NRFANRHFSA-N 1 1 411.864 4.506 50 0 HJAAMO COc1cccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060440 558870873 /nfs/dbraw/zinc/87/08/73/558870873.db2.gz NLPGJEYPVMXWQX-FQEVSTJZSA-N 1 1 416.993 4.744 50 0 HJAAMO Cc1c(C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000055199453 558875790 /nfs/dbraw/zinc/87/57/90/558875790.db2.gz ROUCHKSSMRIFGY-VWLOTQADSA-N 1 1 414.553 4.721 50 0 HJAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1 ZINC000004683320 558894717 /nfs/dbraw/zinc/89/47/17/558894717.db2.gz QWEXWSBNLSUSMT-UHFFFAOYSA-N 1 1 417.619 4.679 50 0 HJAAMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279472 558916117 /nfs/dbraw/zinc/91/61/17/558916117.db2.gz DOAKTEUGRXTKCL-SFHVURJKSA-N 1 1 421.566 4.842 50 0 HJAAMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279472 558916120 /nfs/dbraw/zinc/91/61/20/558916120.db2.gz DOAKTEUGRXTKCL-SFHVURJKSA-N 1 1 421.566 4.842 50 0 HJAAMO c1[nH]nc2c1C[N@H+](Cc1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)CC2 ZINC000072479826 558984056 /nfs/dbraw/zinc/98/40/56/558984056.db2.gz SWHOFJMYNAIGAH-UHFFFAOYSA-N 1 1 409.493 4.626 50 0 HJAAMO c1[nH]nc2c1C[N@@H+](Cc1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)CC2 ZINC000072479826 558984058 /nfs/dbraw/zinc/98/40/58/558984058.db2.gz SWHOFJMYNAIGAH-UHFFFAOYSA-N 1 1 409.493 4.626 50 0 HJAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@@H+](C)CC3 ZINC000033265598 558985745 /nfs/dbraw/zinc/98/57/45/558985745.db2.gz PJGPDHUZXLIRLI-OAHLLOKOSA-N 1 1 422.554 4.644 50 0 HJAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@H+](C)CC3 ZINC000033265598 558985749 /nfs/dbraw/zinc/98/57/49/558985749.db2.gz PJGPDHUZXLIRLI-OAHLLOKOSA-N 1 1 422.554 4.644 50 0 HJAAMO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023308953 559114242 /nfs/dbraw/zinc/11/42/42/559114242.db2.gz PVLYVMFLILZMSG-LOSJGSFVSA-N 1 1 411.549 4.659 50 0 HJAAMO O=C(c1cc(F)c(F)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023323469 559146906 /nfs/dbraw/zinc/14/69/06/559146906.db2.gz KGALZPJZIZAMHO-UHFFFAOYSA-N 1 1 410.439 4.651 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004927536 559207976 /nfs/dbraw/zinc/20/79/76/559207976.db2.gz PTJDVGFMPSNPLD-QFIPXVFZSA-N 1 1 404.526 4.697 50 0 HJAAMO Cc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)ccc1Cl ZINC000051317174 560857339 /nfs/dbraw/zinc/85/73/39/560857339.db2.gz BNZDTOYHORXLJU-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO CCc1ccc([C@@H]2C[C@H](C(=O)N[C@H](C)CC)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000106605980 560892755 /nfs/dbraw/zinc/89/27/55/560892755.db2.gz SXAJTODNDLRFHB-FOVJLYNBSA-N 1 1 408.586 4.778 50 0 HJAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000106920106 560894573 /nfs/dbraw/zinc/89/45/73/560894573.db2.gz SGYKJAXCPUJTRV-WZONZLPQSA-N 1 1 417.018 4.963 50 0 HJAAMO CC(C)c1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cs2)cc1 ZINC000012296553 568462664 /nfs/dbraw/zinc/46/26/64/568462664.db2.gz DGLDJSARYPKABE-RBBKRZOGSA-N 1 1 411.615 4.857 50 0 biogenic HJAAMO C[N@@H+](CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)Cc1ccccc1 ZINC000020329900 568599098 /nfs/dbraw/zinc/59/90/98/568599098.db2.gz SMXKWKLMRJPNNH-UHFFFAOYSA-N 1 1 407.905 4.872 50 0 HJAAMO CCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868265 568646952 /nfs/dbraw/zinc/64/69/52/568646952.db2.gz DOCKAWZPPGQRNL-ZEQRLZLVSA-N 1 1 417.977 4.842 50 0 HJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000020927216 568651510 /nfs/dbraw/zinc/65/15/10/568651510.db2.gz FATGKKPBALOUQR-UHFFFAOYSA-N 1 1 418.925 4.641 50 0 HJAAMO COc1cccc(CC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1 ZINC000095986091 568676219 /nfs/dbraw/zinc/67/62/19/568676219.db2.gz QICXKHUKZFNHFC-XMMPIXPASA-N 1 1 410.558 4.656 50 0 HJAAMO C[N@@H+](CCc1cnccn1)Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000096003651 568682195 /nfs/dbraw/zinc/68/21/95/568682195.db2.gz TZVLRMCKACJFLB-UHFFFAOYSA-N 1 1 403.917 4.657 50 0 HJAAMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000034668381 568702820 /nfs/dbraw/zinc/70/28/20/568702820.db2.gz ZQGLNNNBDMPQAY-UHFFFAOYSA-N 1 1 403.501 4.709 50 0 HJAAMO CC[C@@H](NC(=O)Nc1ccccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000021868979 568756070 /nfs/dbraw/zinc/75/60/70/568756070.db2.gz PPSRJOGCRRJBET-QGZVFWFLSA-N 1 1 424.570 4.808 50 0 HJAAMO COc1ccccc1OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594103 568763703 /nfs/dbraw/zinc/76/37/03/568763703.db2.gz FXZILDZMYGSTMF-SANMLTNESA-N 1 1 420.528 4.620 50 0 HJAAMO COc1ccccc1OCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594103 568763706 /nfs/dbraw/zinc/76/37/06/568763706.db2.gz FXZILDZMYGSTMF-SANMLTNESA-N 1 1 420.528 4.620 50 0 HJAAMO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057362959 568829039 /nfs/dbraw/zinc/82/90/39/568829039.db2.gz RWNOTQZMLUJEFB-HSZRJFAPSA-N 1 1 424.447 4.808 50 0 HJAAMO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057362956 568829044 /nfs/dbraw/zinc/82/90/44/568829044.db2.gz RWNOTQZMLUJEFB-QHCPKHFHSA-N 1 1 424.447 4.808 50 0 HJAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(CO)[C@H]12 ZINC000299804273 568876936 /nfs/dbraw/zinc/87/69/36/568876936.db2.gz NMFWDNZLNHRNAT-UQRSVGLLSA-N 1 1 413.646 4.627 50 0 HJAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cc(Cl)ccc3Cl)c2)CCO1 ZINC000058157489 568893551 /nfs/dbraw/zinc/89/35/51/568893551.db2.gz HHUALMUVKVKDEE-CQSZACIVSA-N 1 1 408.329 4.536 50 0 HJAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cc(Cl)ccc3Cl)c2)CCO1 ZINC000058157489 568893554 /nfs/dbraw/zinc/89/35/54/568893554.db2.gz HHUALMUVKVKDEE-CQSZACIVSA-N 1 1 408.329 4.536 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000012747168 568932951 /nfs/dbraw/zinc/93/29/51/568932951.db2.gz ZYZFNIRPJFXKJX-UHFFFAOYSA-N 1 1 422.356 4.818 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000012747168 568932952 /nfs/dbraw/zinc/93/29/52/568932952.db2.gz ZYZFNIRPJFXKJX-UHFFFAOYSA-N 1 1 422.356 4.818 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000005043958 568969055 /nfs/dbraw/zinc/96/90/55/568969055.db2.gz MFMHHJWWDUFITB-IERDGZPVSA-N 1 1 413.537 4.696 50 0 HJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+](Cc3ccccc3)C(C)C)c21 ZINC000015727456 568978375 /nfs/dbraw/zinc/97/83/75/568978375.db2.gz FQQHWSNTHAEKSO-UHFFFAOYSA-N 1 1 424.545 4.729 50 0 HJAAMO C[N@H+]1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008178097 568979995 /nfs/dbraw/zinc/97/99/95/568979995.db2.gz QPUSXLSEQTZOLP-UHFFFAOYSA-N 1 1 401.539 4.562 50 0 HJAAMO O=C(Nc1sc2c(c1C[NH+]1CCN(c3ccccc3)CC1)CCCC2)c1ccco1 ZINC000038546637 569000177 /nfs/dbraw/zinc/00/01/77/569000177.db2.gz LJTWTEPTICUQMU-UHFFFAOYSA-N 1 1 421.566 4.794 50 0 HJAAMO O=C(c1ncoc1-c1cccs1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026441279 569031853 /nfs/dbraw/zinc/03/18/53/569031853.db2.gz WMQYYTCPUZCMFH-UHFFFAOYSA-N 1 1 403.507 4.514 50 0 HJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)C1 ZINC000035560168 569044899 /nfs/dbraw/zinc/04/48/99/569044899.db2.gz TVCOSRWFNPSXNY-GOSISDBHSA-N 1 1 424.976 4.590 50 0 HJAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]2c2cccn2C)cc1Cl ZINC000240278285 569054529 /nfs/dbraw/zinc/05/45/29/569054529.db2.gz DQANOALZNZNFCP-JTHBVZDNSA-N 1 1 423.944 5.204 50 0 HJAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H]2c2cccn2C)cc1Cl ZINC000240278285 569054530 /nfs/dbraw/zinc/05/45/30/569054530.db2.gz DQANOALZNZNFCP-JTHBVZDNSA-N 1 1 423.944 5.204 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000006509631 569062024 /nfs/dbraw/zinc/06/20/24/569062024.db2.gz GWHRXXVAEJAWRU-SFHVURJKSA-N 1 1 402.494 4.584 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000006509631 569062025 /nfs/dbraw/zinc/06/20/25/569062025.db2.gz GWHRXXVAEJAWRU-SFHVURJKSA-N 1 1 402.494 4.584 50 0 HJAAMO O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064657472 569077241 /nfs/dbraw/zinc/07/72/41/569077241.db2.gz MKVHKSDQJXSPCL-UHFFFAOYSA-N 1 1 415.562 4.714 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063916 569085601 /nfs/dbraw/zinc/08/56/01/569085601.db2.gz ZCTAIFIHTAYGMX-FQEVSTJZSA-N 1 1 405.542 4.960 50 0 HJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccccc3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063916 569085602 /nfs/dbraw/zinc/08/56/02/569085602.db2.gz ZCTAIFIHTAYGMX-FQEVSTJZSA-N 1 1 405.542 4.960 50 0 HJAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670413 569086741 /nfs/dbraw/zinc/08/67/41/569086741.db2.gz OIHFFRCFKVWSAP-HNNXBMFYSA-N 1 1 410.901 4.784 50 0 HJAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670413 569086742 /nfs/dbraw/zinc/08/67/42/569086742.db2.gz OIHFFRCFKVWSAP-HNNXBMFYSA-N 1 1 410.901 4.784 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801282 569096985 /nfs/dbraw/zinc/09/69/85/569096985.db2.gz XCJXKSAAGIAFMI-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036306264 569129794 /nfs/dbraw/zinc/12/97/94/569129794.db2.gz KBTJDHGSQKFLCA-FQEVSTJZSA-N 1 1 423.557 4.871 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3ccccc3F)C2)c1 ZINC000036341533 569141941 /nfs/dbraw/zinc/14/19/41/569141941.db2.gz NGSWUFFQQZWTEC-DEOSSOPVSA-N 1 1 423.532 4.777 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036346758 569143802 /nfs/dbraw/zinc/14/38/02/569143802.db2.gz BRKTXFZBSUOKJP-INIZCTEOSA-N 1 1 415.484 4.844 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)c(OC)c1OC ZINC000036348519 569144680 /nfs/dbraw/zinc/14/46/80/569144680.db2.gz HOBHGKNDFYNDMH-QHCPKHFHSA-N 1 1 406.526 4.818 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)c(OC)c1OC ZINC000036348519 569144681 /nfs/dbraw/zinc/14/46/81/569144681.db2.gz HOBHGKNDFYNDMH-QHCPKHFHSA-N 1 1 406.526 4.818 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000036398337 569171576 /nfs/dbraw/zinc/17/15/76/569171576.db2.gz GUIZXHQCSXFHIM-UHFFFAOYSA-N 1 1 419.569 4.759 50 0 HJAAMO CC[N@@H+](C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12)C[C@](C)(O)c1ccccc1 ZINC000036603475 569205333 /nfs/dbraw/zinc/20/53/33/569205333.db2.gz JTMYRQKZNPTWKI-HMGRNXHXSA-N 1 1 411.586 4.674 50 0 HJAAMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000007285728 569232015 /nfs/dbraw/zinc/23/20/15/569232015.db2.gz FKYNWVLZWGVIAW-UHFFFAOYSA-N 1 1 416.550 4.794 50 0 HJAAMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000007285728 569232016 /nfs/dbraw/zinc/23/20/16/569232016.db2.gz FKYNWVLZWGVIAW-UHFFFAOYSA-N 1 1 416.550 4.794 50 0 HJAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007341711 569234549 /nfs/dbraw/zinc/23/45/49/569234549.db2.gz PLGSITZPIFEOMH-UHFFFAOYSA-N 1 1 416.569 4.691 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360554 569235225 /nfs/dbraw/zinc/23/52/25/569235225.db2.gz OUENHVVCMMFICM-SFHVURJKSA-N 1 1 420.582 4.715 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360554 569235227 /nfs/dbraw/zinc/23/52/27/569235227.db2.gz OUENHVVCMMFICM-SFHVURJKSA-N 1 1 420.582 4.715 50 0 HJAAMO Cc1ccc(C[NH+]2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037379083 569292053 /nfs/dbraw/zinc/29/20/53/569292053.db2.gz UXTCUTHYUIWDGZ-UHFFFAOYSA-N 1 1 408.933 4.861 50 0 HJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1Br ZINC000007797902 569311053 /nfs/dbraw/zinc/31/10/53/569311053.db2.gz PPZZAMTYWVDUDI-SFHVURJKSA-N 1 1 407.739 4.669 50 0 HJAAMO CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067820 569426560 /nfs/dbraw/zinc/42/65/60/569426560.db2.gz SAMLGIHCWFIGND-UWJYYQICSA-N 1 1 410.518 4.554 50 0 HJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709599 571104706 /nfs/dbraw/zinc/10/47/06/571104706.db2.gz AIWFZJWTBLAVSI-VGOFRKELSA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709599 571104708 /nfs/dbraw/zinc/10/47/08/571104708.db2.gz AIWFZJWTBLAVSI-VGOFRKELSA-N 1 1 402.494 4.775 50 0 HJAAMO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)sc2nc(C)nc(C)c12 ZINC000040068182 571148685 /nfs/dbraw/zinc/14/86/85/571148685.db2.gz PVOUQACKPPVUGH-UHFFFAOYSA-N 1 1 415.588 4.701 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000040112376 571170479 /nfs/dbraw/zinc/17/04/79/571170479.db2.gz LWDGMZVUMYYHDU-GOSISDBHSA-N 1 1 420.582 4.839 50 0 HJAAMO c1ccc(-c2cnc(-c3ccncc3)nc2[C@@H]2CCC[N@H+]([C@H]3CCSC3)C2)cc1 ZINC000244678920 571202423 /nfs/dbraw/zinc/20/24/23/571202423.db2.gz IMFWWHSWTULOTP-RTWAWAEBSA-N 1 1 402.567 4.891 50 0 HJAAMO CCOc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000009151116 571230390 /nfs/dbraw/zinc/23/03/90/571230390.db2.gz PLMPPGQCBPITFM-UHFFFAOYSA-N 1 1 424.570 4.637 50 0 HJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000009337257 571249342 /nfs/dbraw/zinc/24/93/42/571249342.db2.gz PAKTUUYLLLOPSV-MRXNPFEDSA-N 1 1 407.495 4.716 50 0 HJAAMO O=C(c1ccc(Sc2ccccn2)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000070006053 571253638 /nfs/dbraw/zinc/25/36/38/571253638.db2.gz QJNLBEBYCUGSBA-UHFFFAOYSA-N 1 1 421.541 4.720 50 0 HJAAMO O=C(c1ccc(Sc2ccccn2)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000070006053 571253640 /nfs/dbraw/zinc/25/36/40/571253640.db2.gz QJNLBEBYCUGSBA-UHFFFAOYSA-N 1 1 421.541 4.720 50 0 HJAAMO Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)c1 ZINC000032931692 524152396 /nfs/dbraw/zinc/15/23/96/524152396.db2.gz NYDIYPPXKLKEPW-PEKVBPLLSA-N 1 1 409.505 4.599 50 0 HJAAMO Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)c1 ZINC000032931692 524152404 /nfs/dbraw/zinc/15/24/04/524152404.db2.gz NYDIYPPXKLKEPW-PEKVBPLLSA-N 1 1 409.505 4.599 50 0 HJAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)C1 ZINC000032951982 524221530 /nfs/dbraw/zinc/22/15/30/524221530.db2.gz PJMVQSZBNGBYQS-HXUWFJFHSA-N 1 1 418.647 4.867 50 0 HJAAMO O=C(NCCCc1ccc(F)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020568020 526271860 /nfs/dbraw/zinc/27/18/60/526271860.db2.gz JCFLNUBGGRQIKN-UHFFFAOYSA-N 1 1 402.513 4.747 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000000635835 557029539 /nfs/dbraw/zinc/02/95/39/557029539.db2.gz XRTBKCWHMCZXPD-XZOQPEGZSA-N 1 1 414.415 4.769 50 0 HJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671557 557363117 /nfs/dbraw/zinc/36/31/17/557363117.db2.gz MIZVBTIPDSXVGS-FNZWTVRRSA-N 1 1 414.549 4.738 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000002917764 557426798 /nfs/dbraw/zinc/42/67/98/557426798.db2.gz ZQDRDNIZJXQOGO-RPWUZVMVSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1ncc(C[N@@H+]2CCc3[nH]nc(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259613 /nfs/dbraw/zinc/25/96/13/558259613.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 1 1 407.949 4.580 50 0 HJAAMO Cc1ncc(C[N@H+]2CCc3[nH]nc(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259615 /nfs/dbraw/zinc/25/96/15/558259615.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 1 1 407.949 4.580 50 0 HJAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1CO ZINC000019743369 558263964 /nfs/dbraw/zinc/26/39/64/558263964.db2.gz XUNBNGCSHSXQRB-SFHVURJKSA-N 1 1 421.459 4.691 50 0 HJAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011663426 558267056 /nfs/dbraw/zinc/26/70/56/558267056.db2.gz MYPQFTIVGKABJV-QHCPKHFHSA-N 1 1 403.517 4.553 50 0 HJAAMO O=C(NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000011711488 558271416 /nfs/dbraw/zinc/27/14/16/558271416.db2.gz RXRWSDXYHZNELW-NTPDMAOXSA-N 1 1 402.460 4.861 50 0 HJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000019773555 558280523 /nfs/dbraw/zinc/28/05/23/558280523.db2.gz XZKRPZKTRVPVPH-UHFFFAOYSA-N 1 1 415.512 4.912 50 0 HJAAMO c1cncc(CN(Cc2cccc3c2OCO3)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821095 558284208 /nfs/dbraw/zinc/28/42/08/558284208.db2.gz IRNLPNBOXIWCLG-JOCHJYFZSA-N 1 1 421.585 4.857 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCc1ccc(F)cc1 ZINC000011840097 558286414 /nfs/dbraw/zinc/28/64/14/558286414.db2.gz DQFWNALALDRNAS-JOCHJYFZSA-N 1 1 414.540 4.701 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000011935790 558300019 /nfs/dbraw/zinc/30/00/19/558300019.db2.gz NBHVQZRNEZUPQM-NRFANRHFSA-N 1 1 423.605 4.615 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000011935790 558300021 /nfs/dbraw/zinc/30/00/21/558300021.db2.gz NBHVQZRNEZUPQM-NRFANRHFSA-N 1 1 423.605 4.615 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000011935790 558300024 /nfs/dbraw/zinc/30/00/24/558300024.db2.gz NBHVQZRNEZUPQM-NRFANRHFSA-N 1 1 423.605 4.615 50 0 HJAAMO CCn1c2ccccc2c2cc(CN3CCC([NH+]4C[C@H](C)O[C@@H](C)C4)CC3)ccc21 ZINC000019889039 558302504 /nfs/dbraw/zinc/30/25/04/558302504.db2.gz OCQAVVZNWYMGNQ-PMACEKPBSA-N 1 1 405.586 4.888 50 0 HJAAMO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@@H+](CCCC(F)(F)F)CCO2 ZINC000011963718 558303828 /nfs/dbraw/zinc/30/38/28/558303828.db2.gz ZHHMYVGFXUHPPK-NRFANRHFSA-N 1 1 409.448 4.510 50 0 HJAAMO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](CCCC(F)(F)F)CCO2 ZINC000011963718 558303830 /nfs/dbraw/zinc/30/38/30/558303830.db2.gz ZHHMYVGFXUHPPK-NRFANRHFSA-N 1 1 409.448 4.510 50 0 HJAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012073236 558318256 /nfs/dbraw/zinc/31/82/56/558318256.db2.gz LCPHCVYMJHSPLV-UHFFFAOYSA-N 1 1 403.505 4.959 50 0 HJAAMO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012073236 558318259 /nfs/dbraw/zinc/31/82/59/558318259.db2.gz LCPHCVYMJHSPLV-UHFFFAOYSA-N 1 1 403.505 4.959 50 0 HJAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012112338 558326641 /nfs/dbraw/zinc/32/66/41/558326641.db2.gz KDAJJGLUDOIJPW-UHFFFAOYSA-N 1 1 401.514 4.851 50 0 HJAAMO COc1ccc(OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020117934 558336699 /nfs/dbraw/zinc/33/66/99/558336699.db2.gz AMZXCXAJBIKWRZ-UHFFFAOYSA-N 1 1 416.565 4.871 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000012299411 558369566 /nfs/dbraw/zinc/36/95/66/558369566.db2.gz OQGSQEASKDIFFW-VWLOTQADSA-N 1 1 407.533 4.650 50 0 HJAAMO COc1cc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304402 558373577 /nfs/dbraw/zinc/37/35/77/558373577.db2.gz VKACBXYGVDOHSH-IBGZPJMESA-N 1 1 407.470 4.510 50 0 HJAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304402 558373580 /nfs/dbraw/zinc/37/35/80/558373580.db2.gz VKACBXYGVDOHSH-IBGZPJMESA-N 1 1 407.470 4.510 50 0 HJAAMO C[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012331135 558385466 /nfs/dbraw/zinc/38/54/66/558385466.db2.gz HLURBZZATSAMCU-NRFANRHFSA-N 1 1 405.567 4.823 50 0 HJAAMO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438681 558410122 /nfs/dbraw/zinc/41/01/22/558410122.db2.gz DUQBZXDLTJIMBN-INIZCTEOSA-N 1 1 417.933 4.769 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438681 558410125 /nfs/dbraw/zinc/41/01/25/558410125.db2.gz DUQBZXDLTJIMBN-INIZCTEOSA-N 1 1 417.933 4.769 50 0 HJAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000012442652 558412681 /nfs/dbraw/zinc/41/26/81/558412681.db2.gz TXUPETBURFQWHJ-HSZRJFAPSA-N 1 1 414.521 4.906 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454875 558416905 /nfs/dbraw/zinc/41/69/05/558416905.db2.gz YUNNFRFWIONAQY-INIZCTEOSA-N 1 1 421.415 4.538 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454875 558416908 /nfs/dbraw/zinc/41/69/08/558416908.db2.gz YUNNFRFWIONAQY-INIZCTEOSA-N 1 1 421.415 4.538 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCCC1 ZINC000012587113 558434426 /nfs/dbraw/zinc/43/44/26/558434426.db2.gz ASLXWUGUHJFVDN-JOCHJYFZSA-N 1 1 406.570 4.880 50 0 HJAAMO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c1 ZINC000012704035 558448981 /nfs/dbraw/zinc/44/89/81/558448981.db2.gz IZVWLYQWLFBFBV-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c1 ZINC000012704035 558448982 /nfs/dbraw/zinc/44/89/82/558448982.db2.gz IZVWLYQWLFBFBV-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000021805447 558450590 /nfs/dbraw/zinc/45/05/90/558450590.db2.gz WSORETWKEXYVDF-QGZVFWFLSA-N 1 1 401.919 4.623 50 0 HJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022199626 558466357 /nfs/dbraw/zinc/46/63/57/558466357.db2.gz ZZVKQLUHRZBAJT-CQSZACIVSA-N 1 1 418.328 4.596 50 0 HJAAMO O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012807170 558474167 /nfs/dbraw/zinc/47/41/67/558474167.db2.gz FYKZCIILUHSYDV-SFTDATJTSA-N 1 1 417.578 4.691 50 0 HJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@H]2c2cccs2)cs1 ZINC000012985746 558495220 /nfs/dbraw/zinc/49/52/20/558495220.db2.gz BODNMNBFANWBTL-FQEVSTJZSA-N 1 1 409.580 4.906 50 0 HJAAMO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000024748101 558609646 /nfs/dbraw/zinc/60/96/46/558609646.db2.gz ZXZVHWWDPFVCIQ-UHFFFAOYSA-N 1 1 406.448 4.694 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CC=C(c2ccccc2)CC1 ZINC000014242890 558645270 /nfs/dbraw/zinc/64/52/70/558645270.db2.gz OPKPLRDKWVMRIL-NRFANRHFSA-N 1 1 417.578 4.792 50 0 HJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000025783713 558650035 /nfs/dbraw/zinc/65/00/35/558650035.db2.gz RWQOEKGAOSICQI-LOSJGSFVSA-N 1 1 422.488 4.808 50 0 HJAAMO O=C1N[C@@H](c2ccccc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004525610 558653263 /nfs/dbraw/zinc/65/32/63/558653263.db2.gz CUQFOSGSPVKUHZ-HXUWFJFHSA-N 1 1 409.942 4.814 50 0 HJAAMO O=C1N[C@@H](c2ccccc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004525610 558653264 /nfs/dbraw/zinc/65/32/64/558653264.db2.gz CUQFOSGSPVKUHZ-HXUWFJFHSA-N 1 1 409.942 4.814 50 0 HJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2cc1Cl ZINC000027570112 558675198 /nfs/dbraw/zinc/67/51/98/558675198.db2.gz MNVFCJNHJRJQLU-MRXNPFEDSA-N 1 1 410.901 4.606 50 0 HJAAMO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3CC[C@H](C)c3ccccc3)C2)c1 ZINC000014959048 558683299 /nfs/dbraw/zinc/68/32/99/558683299.db2.gz KMNXLVGJBOAVEA-QUURXOELSA-N 1 1 406.570 4.816 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1 ZINC000015079385 558718416 /nfs/dbraw/zinc/71/84/16/558718416.db2.gz HPMOHPCWFIOPAT-FQEVSTJZSA-N 1 1 424.972 4.603 50 0 HJAAMO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)n1 ZINC000030030461 558726709 /nfs/dbraw/zinc/72/67/09/558726709.db2.gz JWFPLTBPJUHTQQ-NRFANRHFSA-N 1 1 423.607 4.873 50 0 HJAAMO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)n1 ZINC000030030461 558726711 /nfs/dbraw/zinc/72/67/11/558726711.db2.gz JWFPLTBPJUHTQQ-NRFANRHFSA-N 1 1 423.607 4.873 50 0 HJAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000072303462 558755924 /nfs/dbraw/zinc/75/59/24/558755924.db2.gz SGYKJAXCPUJTRV-JPYJTQIMSA-N 1 1 417.018 4.963 50 0 HJAAMO COc1ccc(Br)cc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000244778751 558784775 /nfs/dbraw/zinc/78/47/75/558784775.db2.gz PVWSCJXHSRLQEG-FPOVZHCZSA-N 1 1 407.396 4.687 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000016339317 558786841 /nfs/dbraw/zinc/78/68/41/558786841.db2.gz YXKRMPYKUWYCRK-SFHVURJKSA-N 1 1 414.303 4.845 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000016339317 558786844 /nfs/dbraw/zinc/78/68/44/558786844.db2.gz YXKRMPYKUWYCRK-SFHVURJKSA-N 1 1 414.303 4.845 50 0 HJAAMO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000016695473 558801019 /nfs/dbraw/zinc/80/10/19/558801019.db2.gz JULYADSVHVHNSX-NSHDSACASA-N 1 1 409.235 4.828 50 0 HJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756239 558864878 /nfs/dbraw/zinc/86/48/78/558864878.db2.gz UCRIIXJATPHSML-UZINWLIJSA-N 1 1 408.586 4.732 50 0 HJAAMO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054274615 558867222 /nfs/dbraw/zinc/86/72/22/558867222.db2.gz QNZTVISRQMUDPH-UHFFFAOYSA-N 1 1 417.944 4.680 50 0 HJAAMO O=C(c1nc2sccn2c1C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000055153367 558874277 /nfs/dbraw/zinc/87/42/77/558874277.db2.gz UZKCHOPVRHVTJA-UHFFFAOYSA-N 1 1 416.550 4.511 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)C1 ZINC000057985866 558892394 /nfs/dbraw/zinc/89/23/94/558892394.db2.gz NLPIPHDFOBYAIZ-BGYRXZFFSA-N 1 1 418.585 4.680 50 0 HJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000058176686 558909690 /nfs/dbraw/zinc/90/96/90/558909690.db2.gz LEOGSTGNLLVCQO-QHCPKHFHSA-N 1 1 409.530 4.805 50 0 HJAAMO CO[C@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072409257 558977498 /nfs/dbraw/zinc/97/74/98/558977498.db2.gz QLWKDWTYUXDFEX-IBGZPJMESA-N 1 1 410.901 4.895 50 0 HJAAMO CC[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458284 558983100 /nfs/dbraw/zinc/98/31/00/558983100.db2.gz SHKRZCISPGZBOH-JOCHJYFZSA-N 1 1 401.510 4.955 50 0 HJAAMO CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458284 558983103 /nfs/dbraw/zinc/98/31/03/558983103.db2.gz SHKRZCISPGZBOH-JOCHJYFZSA-N 1 1 401.510 4.955 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000072463804 558983316 /nfs/dbraw/zinc/98/33/16/558983316.db2.gz YNDPAUHGROYUNG-HDICACEKSA-N 1 1 409.505 4.605 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000072463804 558983317 /nfs/dbraw/zinc/98/33/17/558983317.db2.gz YNDPAUHGROYUNG-HDICACEKSA-N 1 1 409.505 4.605 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCOC(C)(C)C2)cc1F ZINC000072474848 558983665 /nfs/dbraw/zinc/98/36/65/558983665.db2.gz NZJQLIDAVVHXHN-UHFFFAOYSA-N 1 1 409.505 4.606 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCOC(C)(C)C2)cc1F ZINC000072474848 558983667 /nfs/dbraw/zinc/98/36/67/558983667.db2.gz NZJQLIDAVVHXHN-UHFFFAOYSA-N 1 1 409.505 4.606 50 0 HJAAMO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[N@H+]3CCC[C@@H](O)C3)cc12 ZINC000072481336 558984244 /nfs/dbraw/zinc/98/42/44/558984244.db2.gz QHMLCQBQFOJDPW-GOSISDBHSA-N 1 1 412.917 4.529 50 0 HJAAMO [O-]c1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833448 558993531 /nfs/dbraw/zinc/99/35/31/558993531.db2.gz JNJOCXNHJNCIRH-OAQYLSRUSA-N 1 1 406.998 4.681 50 0 HJAAMO [O-]c1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833448 558993532 /nfs/dbraw/zinc/99/35/32/558993532.db2.gz JNJOCXNHJNCIRH-OAQYLSRUSA-N 1 1 406.998 4.681 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000077345039 559002049 /nfs/dbraw/zinc/00/20/49/559002049.db2.gz HDDMQCPAMIDLTR-OAQYLSRUSA-N 1 1 419.550 4.863 50 0 HJAAMO O=C(NCc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023311609 559115609 /nfs/dbraw/zinc/11/56/09/559115609.db2.gz DGGQPIOWJNNDHX-UHFFFAOYSA-N 1 1 419.956 4.957 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000023322261 559134662 /nfs/dbraw/zinc/13/46/62/559134662.db2.gz RAXIUXQWSCHGNY-DEOSSOPVSA-N 1 1 406.476 4.821 50 0 HJAAMO C[N@@H+](CCC(=O)/C=C\c1ccc(Cl)c(Cl)c1)CCc1ccc2c(c1)OCO2 ZINC000033693518 559230519 /nfs/dbraw/zinc/23/05/19/559230519.db2.gz PHCKXDZGDRQZLA-DJWKRKHSSA-N 1 1 406.309 4.869 50 0 HJAAMO Cc1cccc2c1-c1sc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc1CO2 ZINC000005049751 559236632 /nfs/dbraw/zinc/23/66/32/559236632.db2.gz NYIZAIJQOVJQLS-UHFFFAOYSA-N 1 1 418.562 4.794 50 0 HJAAMO Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000005515981 560603921 /nfs/dbraw/zinc/60/39/21/560603921.db2.gz ZOQYDPIIIKWEMA-FCHUYYIVSA-N 1 1 413.868 4.539 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 ZINC000046809238 560878316 /nfs/dbraw/zinc/87/83/16/560878316.db2.gz QPMBUEMXOFIKNL-OAHLLOKOSA-N 1 1 419.338 4.893 50 0 HJAAMO COc1cccc([C@@H]2C[N@@H+](CC3CC3)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000106681437 560893148 /nfs/dbraw/zinc/89/31/48/560893148.db2.gz MBKSUAPLULOHLJ-RSXGOPAZSA-N 1 1 420.597 4.919 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032340 568424773 /nfs/dbraw/zinc/42/47/73/568424773.db2.gz DFVTUTYPBLGMRO-UHFFFAOYSA-N 1 1 418.566 4.785 50 0 HJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032340 568424774 /nfs/dbraw/zinc/42/47/74/568424774.db2.gz DFVTUTYPBLGMRO-UHFFFAOYSA-N 1 1 418.566 4.785 50 0 HJAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007647361 568483291 /nfs/dbraw/zinc/48/32/91/568483291.db2.gz CHRCJRUKGHCPIX-UHFFFAOYSA-N 1 1 417.578 4.792 50 0 HJAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007647361 568483292 /nfs/dbraw/zinc/48/32/92/568483292.db2.gz CHRCJRUKGHCPIX-UHFFFAOYSA-N 1 1 417.578 4.792 50 0 HJAAMO COc1ccc([C@H](CNCc2csc(-c3ccc(Cl)cc3)n2)[NH+](C)C)cc1 ZINC000022816514 568499879 /nfs/dbraw/zinc/49/98/79/568499879.db2.gz LMXSAPUBLJNPOH-FQEVSTJZSA-N 1 1 401.963 4.865 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000020927461 568651573 /nfs/dbraw/zinc/65/15/73/568651573.db2.gz OOBAYWPNEIRVSY-UHFFFAOYSA-N 1 1 414.962 4.892 50 0 HJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933722 568652213 /nfs/dbraw/zinc/65/22/13/568652213.db2.gz WPNUDDJAYJQFPP-UHFFFAOYSA-N 1 1 421.589 4.522 50 0 HJAAMO COc1cccc([C@H]2C[N@@H+](CC3CC3)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000096281457 568718732 /nfs/dbraw/zinc/71/87/32/568718732.db2.gz MBKSUAPLULOHLJ-AOYPEHQESA-N 1 1 420.597 4.919 50 0 HJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCc1ccccc1)[C@H]2c1ccccc1 ZINC000021642898 568727719 /nfs/dbraw/zinc/72/77/19/568727719.db2.gz RCDHOKUIFPYSOQ-VWLOTQADSA-N 1 1 418.606 4.925 50 0 HJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460149 568768093 /nfs/dbraw/zinc/76/80/93/568768093.db2.gz LLYIUPRXVAQFCM-PGRDOPGGSA-N 1 1 413.631 4.543 50 0 HJAAMO O=C(CCc1ccc(Cl)c(F)c1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689157 568778855 /nfs/dbraw/zinc/77/88/55/568778855.db2.gz PUBDPCGJYPTEOO-UHFFFAOYSA-N 1 1 406.954 4.523 50 0 HJAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccccc1 ZINC000057273743 568825728 /nfs/dbraw/zinc/82/57/28/568825728.db2.gz MIJFKINRTPRSPY-DEOSSOPVSA-N 1 1 404.510 4.694 50 0 HJAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1 ZINC000057273743 568825729 /nfs/dbraw/zinc/82/57/29/568825729.db2.gz MIJFKINRTPRSPY-DEOSSOPVSA-N 1 1 404.510 4.694 50 0 HJAAMO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000057315562 568826816 /nfs/dbraw/zinc/82/68/16/568826816.db2.gz WUFXIJDSHGUTJC-GOSISDBHSA-N 1 1 413.521 4.518 50 0 HJAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000057315475 568826897 /nfs/dbraw/zinc/82/68/97/568826897.db2.gz GRQDNAIPRQVPEF-XMMPIXPASA-N 1 1 406.551 4.872 50 0 HJAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000057338572 568827346 /nfs/dbraw/zinc/82/73/46/568827346.db2.gz CMIFWZKOCHNCTA-INIZCTEOSA-N 1 1 423.463 4.815 50 0 HJAAMO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057381146 568830607 /nfs/dbraw/zinc/83/06/07/568830607.db2.gz BNUMJGXMERAQMG-XMMPIXPASA-N 1 1 404.535 4.757 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000057392029 568831591 /nfs/dbraw/zinc/83/15/91/568831591.db2.gz WTRALMWWKPECQT-DEOSSOPVSA-N 1 1 416.550 4.868 50 0 HJAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057405933 568832820 /nfs/dbraw/zinc/83/28/20/568832820.db2.gz ACBAQSNJBWUMHR-LSDHHAIUSA-N 1 1 422.356 4.508 50 0 HJAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000057541912 568852624 /nfs/dbraw/zinc/85/26/24/568852624.db2.gz WNSLIMGFTPLIKP-IBGZPJMESA-N 1 1 414.299 4.901 50 0 HJAAMO CC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000015310155 568871880 /nfs/dbraw/zinc/87/18/80/568871880.db2.gz MMLOCJHQBNKCNH-FCHUYYIVSA-N 1 1 408.542 4.561 50 0 HJAAMO CC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000015310155 568871882 /nfs/dbraw/zinc/87/18/82/568871882.db2.gz MMLOCJHQBNKCNH-FCHUYYIVSA-N 1 1 408.542 4.561 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1Cc1cn2c(nnc2-c2ccc(Br)cc2)s1 ZINC000004107101 568909519 /nfs/dbraw/zinc/90/95/19/568909519.db2.gz FDYBHQHENKZHSI-OAHLLOKOSA-N 1 1 405.365 4.985 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004027924 568934022 /nfs/dbraw/zinc/93/40/22/568934022.db2.gz QYZGQMBWXMTJIG-WMLDXEAASA-N 1 1 406.885 4.864 50 0 biogenic HJAAMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000012756178 568943076 /nfs/dbraw/zinc/94/30/76/568943076.db2.gz WJEYNDVLGWHWEY-UHFFFAOYSA-N 1 1 412.533 4.777 50 0 HJAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000012762930 568946719 /nfs/dbraw/zinc/94/67/19/568946719.db2.gz RBAZGRIFDOGNPR-UHFFFAOYSA-N 1 1 408.329 4.509 50 0 HJAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000012762930 568946721 /nfs/dbraw/zinc/94/67/21/568946721.db2.gz RBAZGRIFDOGNPR-UHFFFAOYSA-N 1 1 408.329 4.509 50 0 HJAAMO COc1ccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000007977088 568963035 /nfs/dbraw/zinc/96/30/35/568963035.db2.gz HMDJOAWPXKKPQK-UHFFFAOYSA-N 1 1 411.546 4.519 50 0 HJAAMO CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008201818 568982481 /nfs/dbraw/zinc/98/24/81/568982481.db2.gz NCMSNUWISONKEO-UHFFFAOYSA-N 1 1 423.582 4.533 50 0 HJAAMO CC(C)CC[N@H+]1CCCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925699 569066331 /nfs/dbraw/zinc/06/63/31/569066331.db2.gz ICWGQVWVUDYRPC-UHFFFAOYSA-N 1 1 420.605 4.572 50 0 HJAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036097319 569090337 /nfs/dbraw/zinc/09/03/37/569090337.db2.gz OTPGXNCMVOCJTD-FQEVSTJZSA-N 1 1 421.965 4.645 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036306205 569129815 /nfs/dbraw/zinc/12/98/15/569129815.db2.gz WODILXDWGFVBOJ-HXUWFJFHSA-N 1 1 421.541 4.623 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307576 569130065 /nfs/dbraw/zinc/13/00/65/569130065.db2.gz WRDOLJDXKJWBDO-HXUWFJFHSA-N 1 1 411.521 5.000 50 0 HJAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341014 569141758 /nfs/dbraw/zinc/14/17/58/569141758.db2.gz DWKBVTXIIZCPGL-QFIPXVFZSA-N 1 1 411.933 4.512 50 0 HJAAMO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343692 569142362 /nfs/dbraw/zinc/14/23/62/569142362.db2.gz IDYRAVKSGSDWGY-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343692 569142363 /nfs/dbraw/zinc/14/23/63/569142363.db2.gz IDYRAVKSGSDWGY-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036346228 569143647 /nfs/dbraw/zinc/14/36/47/569143647.db2.gz NWQZCYBBRJKBCN-SFHVURJKSA-N 1 1 411.521 4.951 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877312 569164026 /nfs/dbraw/zinc/16/40/26/569164026.db2.gz MPHPQIYWMBXTST-UHFFFAOYSA-N 1 1 413.949 4.651 50 0 HJAAMO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)cc1 ZINC000065322284 569224525 /nfs/dbraw/zinc/22/45/25/569224525.db2.gz NMLWWNHZHAIIQB-UHFFFAOYSA-N 1 1 420.557 4.929 50 0 HJAAMO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)cc1 ZINC000065322271 569224591 /nfs/dbraw/zinc/22/45/91/569224591.db2.gz NOGPJKJHYFPAEU-UHFFFAOYSA-N 1 1 406.530 4.864 50 0 HJAAMO COc1ccc(CC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000007390283 569236227 /nfs/dbraw/zinc/23/62/27/569236227.db2.gz NQBXURLLUYOYQZ-LJQANCHMSA-N 1 1 418.537 4.872 50 0 HJAAMO COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000007390282 569236232 /nfs/dbraw/zinc/23/62/32/569236232.db2.gz NQBXURLLUYOYQZ-IBGZPJMESA-N 1 1 418.537 4.872 50 0 HJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2cc(Br)ccc2s1 ZINC000170613954 569246787 /nfs/dbraw/zinc/24/67/87/569246787.db2.gz DYWSESICKUPINO-CJNGLKHVSA-N 1 1 407.377 4.658 50 0 HJAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000007741600 569306070 /nfs/dbraw/zinc/30/60/70/569306070.db2.gz ULBOGVBVDIIZLU-QFIPXVFZSA-N 1 1 420.509 4.684 50 0 HJAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000007741600 569306071 /nfs/dbraw/zinc/30/60/71/569306071.db2.gz ULBOGVBVDIIZLU-QFIPXVFZSA-N 1 1 420.509 4.684 50 0 HJAAMO O=C(Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)nc1 ZINC000253415196 569367111 /nfs/dbraw/zinc/36/71/11/569367111.db2.gz ZYPPKRBFIBQRCF-FUHWJXTLSA-N 1 1 416.978 4.739 50 0 biogenic HJAAMO CCOc1cc([C@@H]2[NH2+]Cc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O ZINC000055028080 569375840 /nfs/dbraw/zinc/37/58/40/569375840.db2.gz OXCXEWMONGDTMR-DEOSSOPVSA-N 1 1 408.498 4.572 50 0 HJAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002417587 569397479 /nfs/dbraw/zinc/39/74/79/569397479.db2.gz CGUVAVYGSRWKBY-BJKOFHAPSA-N 1 1 410.452 4.938 50 0 HJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)c1 ZINC000019731077 569429505 /nfs/dbraw/zinc/42/95/05/569429505.db2.gz OYKRXWVCSISKJI-RUZDIDTESA-N 1 1 407.485 4.999 50 0 HJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)c1 ZINC000019731077 569429506 /nfs/dbraw/zinc/42/95/06/569429506.db2.gz OYKRXWVCSISKJI-RUZDIDTESA-N 1 1 407.485 4.999 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709257 571104360 /nfs/dbraw/zinc/10/43/60/571104360.db2.gz ZRBAGJVDJFTENS-HTAPYJJXSA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709257 571104362 /nfs/dbraw/zinc/10/43/62/571104362.db2.gz ZRBAGJVDJFTENS-HTAPYJJXSA-N 1 1 402.494 4.775 50 0 HJAAMO O[C@H](CNCC1([NH+]2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl ZINC000039782121 571134330 /nfs/dbraw/zinc/13/43/30/571134330.db2.gz OASGMNNTOQISCE-GOSISDBHSA-N 1 1 415.405 4.512 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)Cc2ccccc2)c1 ZINC000032909356 519747264 /nfs/dbraw/zinc/74/72/64/519747264.db2.gz WWJSHHNOZQNMMT-RNHFSVANSA-N 1 1 421.585 4.903 50 0 HJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)Cc2ccccc2)c1 ZINC000032909356 519747265 /nfs/dbraw/zinc/74/72/65/519747265.db2.gz WWJSHHNOZQNMMT-RNHFSVANSA-N 1 1 421.585 4.903 50 0 HJAAMO Cc1c(=O)c2cccc(C(=O)N3CC[NH+](CCC(C)C)CC3)c2oc1-c1ccccc1 ZINC000032933134 525522634 /nfs/dbraw/zinc/52/26/34/525522634.db2.gz PGOVVUPVNQBQBQ-UHFFFAOYSA-N 1 1 418.537 4.572 50 0 HJAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)Nc1cccc2ncccc21 ZINC000032932781 526724475 /nfs/dbraw/zinc/72/44/75/526724475.db2.gz CQYFUWAAMINMPW-UHFFFAOYSA-N 1 1 400.457 4.583 50 0 HJAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)Nc1cccc2ncccc21 ZINC000032932781 526724480 /nfs/dbraw/zinc/72/44/80/526724480.db2.gz CQYFUWAAMINMPW-UHFFFAOYSA-N 1 1 400.457 4.583 50 0 HJAAMO O=C(Cn1ccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823618 527381195 /nfs/dbraw/zinc/38/11/95/527381195.db2.gz YLWFIZLIYRHENV-UHFFFAOYSA-N 1 1 409.533 4.575 50 0 HJAAMO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684575 557387685 /nfs/dbraw/zinc/38/76/85/557387685.db2.gz QHVXNRDXYUQZTK-UHFFFAOYSA-N 1 1 405.929 4.915 50 0 HJAAMO O=C(NCCCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022674884 557738010 /nfs/dbraw/zinc/73/80/10/557738010.db2.gz RVVIXTNFVDQNQR-UHFFFAOYSA-N 1 1 413.565 4.736 50 0 HJAAMO Cc1nc2cc(C(=O)N(C)C[C@H]3CCC[N@@H+](CCc4ccc(Cl)cc4)C3)ccc2[nH]1 ZINC000011663315 558267061 /nfs/dbraw/zinc/26/70/61/558267061.db2.gz VKXRIAOPWOHBPB-LJQANCHMSA-N 1 1 424.976 4.551 50 0 HJAAMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022925532 558271841 /nfs/dbraw/zinc/27/18/41/558271841.db2.gz QRDJYNYWSOQQCV-GOSISDBHSA-N 1 1 408.521 4.878 50 0 HJAAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011769773 558274420 /nfs/dbraw/zinc/27/44/20/558274420.db2.gz KPFORANFLGMYAZ-JOCHJYFZSA-N 1 1 419.525 4.659 50 0 HJAAMO COc1cc(-c2nc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F ZINC000011813508 558278221 /nfs/dbraw/zinc/27/82/21/558278221.db2.gz VYGFRZAQTJSOOT-UHFFFAOYSA-N 1 1 406.461 4.615 50 0 HJAAMO COc1cc(-c2nc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F ZINC000011813508 558278225 /nfs/dbraw/zinc/27/82/25/558278225.db2.gz VYGFRZAQTJSOOT-UHFFFAOYSA-N 1 1 406.461 4.615 50 0 HJAAMO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019792303 558283082 /nfs/dbraw/zinc/28/30/82/558283082.db2.gz IDRFFYLDLNMDPM-UHFFFAOYSA-N 1 1 420.940 4.653 50 0 HJAAMO COc1cccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839174 558293366 /nfs/dbraw/zinc/29/33/66/558293366.db2.gz MMORXGKOSILCDL-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1cccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839174 558293369 /nfs/dbraw/zinc/29/33/69/558293369.db2.gz MMORXGKOSILCDL-OAHLLOKOSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000019839810 558293764 /nfs/dbraw/zinc/29/37/64/558293764.db2.gz PPUUACYQYCWXSS-AWEZNQCLSA-N 1 1 401.432 4.882 50 0 HJAAMO Cc1cc2ccccc2n1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019890448 558303028 /nfs/dbraw/zinc/30/30/28/558303028.db2.gz LYRGRTOVWHHHQK-UHFFFAOYSA-N 1 1 423.560 4.884 50 0 HJAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)C1 ZINC000012056825 558316119 /nfs/dbraw/zinc/31/61/19/558316119.db2.gz AIZXLLSXDOBLRN-GOSISDBHSA-N 1 1 409.505 4.545 50 0 HJAAMO CSc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012150002 558338841 /nfs/dbraw/zinc/33/88/41/558338841.db2.gz CLTYZSDNJJOBMB-UHFFFAOYSA-N 1 1 408.489 4.662 50 0 HJAAMO CN(Cc1c[nH]nc1-c1cccc(F)c1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000020205455 558346801 /nfs/dbraw/zinc/34/68/01/558346801.db2.gz RJCGXRRJUWUPCH-FQEVSTJZSA-N 1 1 424.539 4.741 50 0 HJAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000012299629 558369502 /nfs/dbraw/zinc/36/95/02/558369502.db2.gz RJPCLWLBKBWXLK-UHFFFAOYSA-N 1 1 403.954 4.505 50 0 HJAAMO CN(Cc1nc2ccccc2n1C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012314398 558377721 /nfs/dbraw/zinc/37/77/21/558377721.db2.gz QAPHMQPVTNZFFN-UHFFFAOYSA-N 1 1 410.993 4.613 50 0 HJAAMO CCCCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)[nH]1 ZINC000012315408 558378923 /nfs/dbraw/zinc/37/89/23/558378923.db2.gz ORMGZOBYMAFDCJ-IBGZPJMESA-N 1 1 406.530 4.863 50 0 HJAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c[nH]1 ZINC000012315408 558378929 /nfs/dbraw/zinc/37/89/29/558378929.db2.gz ORMGZOBYMAFDCJ-IBGZPJMESA-N 1 1 406.530 4.863 50 0 HJAAMO CCCCc1nc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c[nH]1 ZINC000012315408 558378932 /nfs/dbraw/zinc/37/89/32/558378932.db2.gz ORMGZOBYMAFDCJ-IBGZPJMESA-N 1 1 406.530 4.863 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)Nc1ccccc1F ZINC000012320016 558381959 /nfs/dbraw/zinc/38/19/59/558381959.db2.gz KEHRUARAOKCADG-LJQANCHMSA-N 1 1 406.505 4.642 50 0 HJAAMO c1ccc(-c2oc3ncnc(NCCC[NH+]4CCOCC4)c3c2-c2ccccc2)cc1 ZINC000020533307 558384656 /nfs/dbraw/zinc/38/46/56/558384656.db2.gz MOAYQPPWNLQINH-UHFFFAOYSA-N 1 1 414.509 4.691 50 0 HJAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012441559 558412014 /nfs/dbraw/zinc/41/20/14/558412014.db2.gz SLZNWFXGFVJSAX-MRXNPFEDSA-N 1 1 408.468 4.553 50 0 HJAAMO CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012441559 558412016 /nfs/dbraw/zinc/41/20/16/558412016.db2.gz SLZNWFXGFVJSAX-MRXNPFEDSA-N 1 1 408.468 4.553 50 0 HJAAMO O=C(COc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012447865 558415210 /nfs/dbraw/zinc/41/52/10/558415210.db2.gz BGNIKHYSZSXTBI-HSZRJFAPSA-N 1 1 421.585 4.534 50 0 HJAAMO CCc1cc(C[NH2+]Cc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)on1 ZINC000020994885 558426455 /nfs/dbraw/zinc/42/64/55/558426455.db2.gz BDSOYDMCQNUMNL-UHFFFAOYSA-N 1 1 406.461 4.527 50 0 HJAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccc(Br)c1 ZINC000021719979 558446568 /nfs/dbraw/zinc/44/65/68/558446568.db2.gz KEQLFSIDXVGQHF-KRWDZBQOSA-N 1 1 401.308 4.781 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012704244 558449024 /nfs/dbraw/zinc/44/90/24/558449024.db2.gz KEGGQGNUJCPVQY-KRWDZBQOSA-N 1 1 400.925 4.539 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022784260 558510603 /nfs/dbraw/zinc/51/06/03/558510603.db2.gz YWDIRYCUEZLZJX-LJQANCHMSA-N 1 1 405.567 4.560 50 0 HJAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000023373797 558553713 /nfs/dbraw/zinc/55/37/13/558553713.db2.gz XHMUCLNWBZQDLQ-NRFANRHFSA-N 1 1 421.610 4.697 50 0 HJAAMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000014198943 558634975 /nfs/dbraw/zinc/63/49/75/558634975.db2.gz QDMMADIAJGCNIO-LJQANCHMSA-N 1 1 413.518 4.584 50 0 HJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000025783709 558650128 /nfs/dbraw/zinc/65/01/28/558650128.db2.gz RWQOEKGAOSICQI-RPBOFIJWSA-N 1 1 422.488 4.808 50 0 HJAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000014956085 558682562 /nfs/dbraw/zinc/68/25/62/558682562.db2.gz GIWWCXWVFXQSMY-FQEVSTJZSA-N 1 1 420.532 4.951 50 0 HJAAMO Cc1c([C@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000014966871 558686191 /nfs/dbraw/zinc/68/61/91/558686191.db2.gz ZXOSADAANWGBPB-KRWDZBQOSA-N 1 1 410.512 4.774 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(Cl)c1O ZINC000014981218 558691622 /nfs/dbraw/zinc/69/16/22/558691622.db2.gz OVBISOLVANUAGL-GOSISDBHSA-N 1 1 417.933 4.936 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(Cl)c1O ZINC000014981218 558691625 /nfs/dbraw/zinc/69/16/25/558691625.db2.gz OVBISOLVANUAGL-GOSISDBHSA-N 1 1 417.933 4.936 50 0 HJAAMO COc1cccc(-n2c(C[N@H+](C)C[C@@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990159 558694055 /nfs/dbraw/zinc/69/40/55/558694055.db2.gz JNSWCLONXWMBDA-GOSISDBHSA-N 1 1 400.592 4.812 50 0 HJAAMO COc1cccc(-n2c(C[N@@H+](C)C[C@@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990159 558694059 /nfs/dbraw/zinc/69/40/59/558694059.db2.gz JNSWCLONXWMBDA-GOSISDBHSA-N 1 1 400.592 4.812 50 0 HJAAMO COc1cccc(-n2c(C[N@H+](C)C[C@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990157 558694141 /nfs/dbraw/zinc/69/41/41/558694141.db2.gz JNSWCLONXWMBDA-SFHVURJKSA-N 1 1 400.592 4.812 50 0 HJAAMO COc1cccc(-n2c(C[N@@H+](C)C[C@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990157 558694143 /nfs/dbraw/zinc/69/41/43/558694143.db2.gz JNSWCLONXWMBDA-SFHVURJKSA-N 1 1 400.592 4.812 50 0 HJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000015023407 558703542 /nfs/dbraw/zinc/70/35/42/558703542.db2.gz HAZRINAWSLTYFD-UEVCKROQSA-N 1 1 401.934 4.923 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)c1 ZINC000015068386 558710862 /nfs/dbraw/zinc/71/08/62/558710862.db2.gz ZOEGUHLNRALRLO-AREMUKBSSA-N 1 1 403.570 4.819 50 0 HJAAMO CCOc1ccc(CCC2CC[NH+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000011053745 558718917 /nfs/dbraw/zinc/71/89/17/558718917.db2.gz DNKSKQBKBNYHFA-SFHVURJKSA-N 1 1 405.542 4.728 50 0 HJAAMO O=C(c1ccccc1SCc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015629466 558746811 /nfs/dbraw/zinc/74/68/11/558746811.db2.gz AXTGLHHRZPMTPP-UHFFFAOYSA-N 1 1 408.592 4.998 50 0 HJAAMO CC(C)N(C(=O)Cn1c(C[NH+]2CCCCCC2)nc2ccccc21)c1ccccc1 ZINC000015831914 558755397 /nfs/dbraw/zinc/75/53/97/558755397.db2.gz WABBVXXWVSBLCZ-UHFFFAOYSA-N 1 1 404.558 4.854 50 0 HJAAMO CC[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023379201 558781899 /nfs/dbraw/zinc/78/18/99/558781899.db2.gz HMNAVMCMYZOWRJ-RUZDIDTESA-N 1 1 414.549 4.778 50 0 HJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019223535 558852417 /nfs/dbraw/zinc/85/24/17/558852417.db2.gz OYDXHJLIOKNNFH-MRXNPFEDSA-N 1 1 411.452 4.506 50 0 HJAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053423 558870914 /nfs/dbraw/zinc/87/09/14/558870914.db2.gz LXLBVYFWVQXTJA-GOSISDBHSA-N 1 1 420.956 4.580 50 0 HJAAMO CC(C)n1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000055108412 558873087 /nfs/dbraw/zinc/87/30/87/558873087.db2.gz NRMTUZVNXHHWJT-QHCPKHFHSA-N 1 1 409.622 4.906 50 0 HJAAMO c1ccc(Cc2noc(CN3CCC[C@@]4(CCC[N@@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000055227531 558876720 /nfs/dbraw/zinc/87/67/20/558876720.db2.gz WVPFLEOOFNXCHT-AREMUKBSSA-N 1 1 416.569 4.539 50 0 HJAAMO C[C@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000055326572 558879356 /nfs/dbraw/zinc/87/93/56/558879356.db2.gz LFQAIFKTKDXZKN-GOSISDBHSA-N 1 1 400.588 4.844 50 0 HJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccc(F)c1 ZINC000057243092 558887993 /nfs/dbraw/zinc/88/79/93/558887993.db2.gz XIDICTIRPMENSV-UHFFFAOYSA-N 1 1 407.464 4.539 50 0 HJAAMO OCC[C@@H]1CCC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072411430 558977778 /nfs/dbraw/zinc/97/77/78/558977778.db2.gz VRMRHWVIWUJSPO-IBGZPJMESA-N 1 1 410.901 4.631 50 0 HJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12 ZINC000004760940 559053329 /nfs/dbraw/zinc/05/33/29/559053329.db2.gz YRGYZDFGHJSFML-UHFFFAOYSA-N 1 1 420.557 4.839 50 0 HJAAMO CCc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)on1 ZINC000095515159 559084485 /nfs/dbraw/zinc/08/44/85/559084485.db2.gz MSVQIWTWOAMOSE-IBGZPJMESA-N 1 1 403.526 4.546 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000023319867 559125815 /nfs/dbraw/zinc/12/58/15/559125815.db2.gz RSISHNXLSYWSNA-DEOSSOPVSA-N 1 1 406.476 4.821 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139246 559153217 /nfs/dbraw/zinc/15/32/17/559153217.db2.gz RKFDHFPSUFILLM-HTAPYJJXSA-N 1 1 406.526 4.501 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139246 559153219 /nfs/dbraw/zinc/15/32/19/559153219.db2.gz RKFDHFPSUFILLM-HTAPYJJXSA-N 1 1 406.526 4.501 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)C1 ZINC000004958335 559216318 /nfs/dbraw/zinc/21/63/18/559216318.db2.gz FRNPRPFYKBRBAW-CALCHBBNSA-N 1 1 413.993 4.865 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]34)C[C@@H]2C)c1 ZINC000248121602 559263828 /nfs/dbraw/zinc/26/38/28/559263828.db2.gz SAOYGWVUOAMNQH-MAUBJLKMSA-N 1 1 422.613 4.820 50 0 HJAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@H+]1CCCC[C@H]1C ZINC000248124935 559264743 /nfs/dbraw/zinc/26/47/43/559264743.db2.gz ZXZVLPPWXGZTGL-XXBNENTESA-N 1 1 405.542 4.556 50 0 HJAAMO CCO[C@H](C)c1nc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]3CCCC[C@H]32)cs1 ZINC000252671076 559279211 /nfs/dbraw/zinc/27/92/11/559279211.db2.gz MPPZIXAFTCORID-SCXSLKHRSA-N 1 1 421.651 4.925 50 0 HJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCC[C@H]3c3ncc[nH]3)c2c1C ZINC000079017503 560541034 /nfs/dbraw/zinc/54/10/34/560541034.db2.gz GWUKVWWJVBBYTP-SFHVURJKSA-N 1 1 424.618 4.995 50 0 HJAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000005516538 560604535 /nfs/dbraw/zinc/60/45/35/560604535.db2.gz PWKDSKMQHOTDTE-FCHUYYIVSA-N 1 1 413.868 4.539 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000105750035 560877345 /nfs/dbraw/zinc/87/73/45/560877345.db2.gz OLZMJHFNJLMXNH-AFMDSPMNSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000105750035 560877346 /nfs/dbraw/zinc/87/73/46/560877346.db2.gz OLZMJHFNJLMXNH-AFMDSPMNSA-N 1 1 424.585 4.662 50 0 HJAAMO CC(=O)c1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020442735 568607814 /nfs/dbraw/zinc/60/78/14/568607814.db2.gz YESRCVMJWZXBPL-UHFFFAOYSA-N 1 1 413.521 4.828 50 0 HJAAMO CCCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447092 568608531 /nfs/dbraw/zinc/60/85/31/568608531.db2.gz BTGJJKUUMGGZNO-PKTZIBPZSA-N 1 1 405.941 4.973 50 0 HJAAMO CCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868276 568646869 /nfs/dbraw/zinc/64/68/69/568646869.db2.gz DOCKAWZPPGQRNL-DNQXCXABSA-N 1 1 417.977 4.842 50 0 HJAAMO COc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868279 568646878 /nfs/dbraw/zinc/64/68/78/568646878.db2.gz MDDIGKZIVUQBLA-ZEQRLZLVSA-N 1 1 417.977 4.698 50 0 HJAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290779 568720642 /nfs/dbraw/zinc/72/06/42/568720642.db2.gz NWOONMAUMIPJAJ-OAQYLSRUSA-N 1 1 421.560 4.864 50 0 HJAAMO COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)C[NH+]3CCCCC3)n2)cc1 ZINC000021659507 568735500 /nfs/dbraw/zinc/73/55/00/568735500.db2.gz CRFDFFBZQIKRSR-UHFFFAOYSA-N 1 1 416.525 4.552 50 0 HJAAMO CC[N@@H+](CCNc1ncnc2onc(-c3cccc(Cl)c3)c21)Cc1ccccc1 ZINC000021714501 568748681 /nfs/dbraw/zinc/74/86/81/568748681.db2.gz JVZAAQYVBDZMRB-UHFFFAOYSA-N 1 1 407.905 4.872 50 0 HJAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795460 568753730 /nfs/dbraw/zinc/75/37/30/568753730.db2.gz RDMDNLIOLRCXIN-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795460 568753732 /nfs/dbraw/zinc/75/37/32/568753732.db2.gz RDMDNLIOLRCXIN-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000021795439 568753745 /nfs/dbraw/zinc/75/37/45/568753745.db2.gz KHBPGSYWZHLKJW-UHFFFAOYSA-N 1 1 406.490 4.637 50 0 HJAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000021795439 568753746 /nfs/dbraw/zinc/75/37/46/568753746.db2.gz KHBPGSYWZHLKJW-UHFFFAOYSA-N 1 1 406.490 4.637 50 0 HJAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000057286182 568825980 /nfs/dbraw/zinc/82/59/80/568825980.db2.gz AFVVCSXHYBVDNP-HXUWFJFHSA-N 1 1 401.554 4.943 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000057383194 568830772 /nfs/dbraw/zinc/83/07/72/568830772.db2.gz WCHUHELPOFUUPW-DEOSSOPVSA-N 1 1 416.550 4.868 50 0 HJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 ZINC000057383365 568830990 /nfs/dbraw/zinc/83/09/90/568830990.db2.gz HDCHLKUTNWZZKL-AREMUKBSSA-N 1 1 415.537 4.613 50 0 HJAAMO O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058139388 568890561 /nfs/dbraw/zinc/89/05/61/568890561.db2.gz GIJCNYKSWOGZGP-UHFFFAOYSA-N 1 1 415.609 4.602 50 0 HJAAMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccccc1F ZINC000012747673 568933605 /nfs/dbraw/zinc/93/36/05/568933605.db2.gz MFARTEURZDPOOF-UHFFFAOYSA-N 1 1 417.937 4.585 50 0 HJAAMO COc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2ccco2)c1 ZINC000004193245 568950536 /nfs/dbraw/zinc/95/05/36/568950536.db2.gz FSPSZUIZHDPPOS-GOSISDBHSA-N 1 1 401.576 4.609 50 0 HJAAMO COc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000004247762 568953571 /nfs/dbraw/zinc/95/35/71/568953571.db2.gz FZNQEUJMJZGYNA-VWLOTQADSA-N 1 1 414.505 4.976 50 0 HJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000015669138 568960809 /nfs/dbraw/zinc/96/08/09/568960809.db2.gz YSDXXPJSRQEDMD-UHFFFAOYSA-N 1 1 407.905 4.905 50 0 HJAAMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)no2)cc1 ZINC000007996984 568967623 /nfs/dbraw/zinc/96/76/23/568967623.db2.gz JTXIEBOHCAIZAN-OAQYLSRUSA-N 1 1 423.513 4.536 50 0 HJAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4)C3)c(C)o2)cc1 ZINC000005055854 568971647 /nfs/dbraw/zinc/97/16/47/568971647.db2.gz SKKBYRNLZLSNQX-HSZRJFAPSA-N 1 1 417.553 4.741 50 0 HJAAMO CCc1cc([C@H](c2cccs2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546483 569000264 /nfs/dbraw/zinc/00/02/64/569000264.db2.gz LJFHVQBFNJCJBT-LJQANCHMSA-N 1 1 415.584 4.554 50 0 HJAAMO C[N@@H+](CCOc1ccccc1Cl)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000012854247 569010656 /nfs/dbraw/zinc/01/06/56/569010656.db2.gz JIVYJAHXMXNBIE-UHFFFAOYSA-N 1 1 422.706 4.720 50 0 HJAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012876471 569013653 /nfs/dbraw/zinc/01/36/53/569013653.db2.gz UMOBKANSQRMBRX-LBPRGKRZSA-N 1 1 400.828 4.826 50 0 HJAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012876471 569013654 /nfs/dbraw/zinc/01/36/54/569013654.db2.gz UMOBKANSQRMBRX-LBPRGKRZSA-N 1 1 400.828 4.826 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC(C)C)cc1OC ZINC000015862338 569015780 /nfs/dbraw/zinc/01/57/80/569015780.db2.gz RNMFSSLXYRRQLI-UHFFFAOYSA-N 1 1 408.542 4.820 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)CC(C)C)cc1OC ZINC000015862340 569015857 /nfs/dbraw/zinc/01/58/57/569015857.db2.gz WNHIGNJVKGEVIM-UHFFFAOYSA-N 1 1 414.933 4.857 50 0 HJAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000035509830 569041752 /nfs/dbraw/zinc/04/17/52/569041752.db2.gz UQUFMKSBHJTNOM-UHFFFAOYSA-N 1 1 412.603 4.885 50 0 HJAAMO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000035926128 569066461 /nfs/dbraw/zinc/06/64/61/569066461.db2.gz MQUHPGUBAAUNJM-HXUWFJFHSA-N 1 1 420.605 4.887 50 0 HJAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)c1 ZINC000036098538 569090867 /nfs/dbraw/zinc/09/08/67/569090867.db2.gz IQUDDULSLLECER-HSZRJFAPSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)Cc2ccccc2C)cc1 ZINC000036104685 569092581 /nfs/dbraw/zinc/09/25/81/569092581.db2.gz DUXIIZYJEGLMFC-HSZRJFAPSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064800936 569097526 /nfs/dbraw/zinc/09/75/26/569097526.db2.gz YLZMCXUHWIYMFM-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036302822 569128405 /nfs/dbraw/zinc/12/84/05/569128405.db2.gz FDFBSIMYMGZRDH-IBGZPJMESA-N 1 1 423.557 4.828 50 0 HJAAMO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307329 569129330 /nfs/dbraw/zinc/12/93/30/569129330.db2.gz XABPVIXIJQLCIA-KRWDZBQOSA-N 1 1 409.505 4.611 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](C)O ZINC000036316475 569135253 /nfs/dbraw/zinc/13/52/53/569135253.db2.gz WLSMHAJPPPSZLG-SFHVURJKSA-N 1 1 411.521 4.959 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968133 569137918 /nfs/dbraw/zinc/13/79/18/569137918.db2.gz REVHMCJVKRPMAA-LJQANCHMSA-N 1 1 405.542 4.607 50 0 HJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@@H]2C)[C@H](c2ccc(C)cc2)C1 ZINC000036343645 569142344 /nfs/dbraw/zinc/14/23/44/569142344.db2.gz KSSOMGAEUWGTST-CVDCTZTESA-N 1 1 405.542 4.556 50 0 HJAAMO Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036345721 569143388 /nfs/dbraw/zinc/14/33/88/569143388.db2.gz CVVYMCAOBXGLNA-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036345721 569143389 /nfs/dbraw/zinc/14/33/89/569143389.db2.gz CVVYMCAOBXGLNA-VWLOTQADSA-N 1 1 415.512 4.944 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036346603 569143820 /nfs/dbraw/zinc/14/38/20/569143820.db2.gz VSCCKOSYVDVSEE-MRXNPFEDSA-N 1 1 415.484 4.844 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036347585 569144125 /nfs/dbraw/zinc/14/41/25/569144125.db2.gz SQKAYWZMPCAEGP-QHCPKHFHSA-N 1 1 422.525 4.518 50 0 HJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036347585 569144126 /nfs/dbraw/zinc/14/41/26/569144126.db2.gz SQKAYWZMPCAEGP-QHCPKHFHSA-N 1 1 422.525 4.518 50 0 HJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccccc3Cl)CC2)n1 ZINC000065257919 569209737 /nfs/dbraw/zinc/20/97/37/569209737.db2.gz OIHQEIQOIMOCON-UHFFFAOYSA-N 1 1 411.937 4.621 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000170596697 569241797 /nfs/dbraw/zinc/24/17/97/569241797.db2.gz MUENPFGDQOVHMI-QHCPKHFHSA-N 1 1 407.558 4.851 50 0 HJAAMO CC(=O)N[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccc(Cl)cc1 ZINC000089840213 569266902 /nfs/dbraw/zinc/26/69/02/569266902.db2.gz AGEVUZMRFJBXGT-QFIPXVFZSA-N 1 1 413.949 4.518 50 0 HJAAMO CC(=O)N[C@H](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccc(Cl)cc1 ZINC000089840214 569267086 /nfs/dbraw/zinc/26/70/86/569267086.db2.gz AGEVUZMRFJBXGT-JOCHJYFZSA-N 1 1 413.949 4.518 50 0 HJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc2c1 ZINC000007926707 569327313 /nfs/dbraw/zinc/32/73/13/569327313.db2.gz ALTVKQYTTRZLEM-OAHLLOKOSA-N 1 1 412.917 4.969 50 0 HJAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000253413162 569366751 /nfs/dbraw/zinc/36/67/51/569366751.db2.gz TZNSCYJMVXROOH-NBGIEHNGSA-N 1 1 414.553 4.633 50 0 biogenic HJAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1Br ZINC000013068805 569408444 /nfs/dbraw/zinc/40/84/44/569408444.db2.gz QPQAFGOVRNMEEW-GFCCVEGCSA-N 1 1 411.727 4.709 50 0 HJAAMO CCCCCCc1cc2c(cc1OC(=O)[C@H](C)[NH3+])occ(-c1nc(C)cs1)c2=O ZINC000019791597 569429909 /nfs/dbraw/zinc/42/99/09/569429909.db2.gz YUXBQSBMYGULLQ-AWEZNQCLSA-N 1 1 414.527 4.600 50 0 HJAAMO CCOc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(-c2ccccc2)c1OC ZINC000070004427 571253615 /nfs/dbraw/zinc/25/36/15/571253615.db2.gz XWAZZVMDFMCIDB-IBGZPJMESA-N 1 1 410.558 4.755 50 0 HJAAMO CCOc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)C[C@H](C)CC5)CC2)cc1 ZINC000001472992 132246702 /nfs/dbraw/zinc/24/67/02/132246702.db2.gz XRYZMMZKYNLGTF-QGZVFWFLSA-N 1 1 422.598 4.537 50 0 HJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2Cl)CC1 ZINC000005426542 132305822 /nfs/dbraw/zinc/30/58/22/132305822.db2.gz YEFJZVZRLOTJNS-UHFFFAOYSA-N 1 1 401.938 4.521 50 0 HJAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1Cl ZINC000040047567 522026199 /nfs/dbraw/zinc/02/61/99/522026199.db2.gz NWEFIXPIUWHVQA-UZLBHIALSA-N 1 1 418.990 4.644 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCCC1 ZINC000032904224 523377286 /nfs/dbraw/zinc/37/72/86/523377286.db2.gz VMRBZPWSKOEYQD-UHFFFAOYSA-N 1 1 419.569 4.826 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@@H]2C)c1 ZINC000252462406 524557438 /nfs/dbraw/zinc/55/74/38/524557438.db2.gz SAOYGWVUOAMNQH-BVXQRAAZSA-N 1 1 422.613 4.820 50 0 biogenic HJAAMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000032901385 525886270 /nfs/dbraw/zinc/88/62/70/525886270.db2.gz JJEGBUXDECEGPF-FUHWJXTLSA-N 1 1 408.477 4.596 50 0 HJAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000032622925 526490086 /nfs/dbraw/zinc/49/00/86/526490086.db2.gz LPZUHHSKODBMAE-KRWDZBQOSA-N 1 1 401.919 4.623 50 0 HJAAMO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766023 527222440 /nfs/dbraw/zinc/22/24/40/527222440.db2.gz VAPLPJYMIYOKKA-JOCHJYFZSA-N 1 1 410.970 4.860 50 0 HJAAMO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766023 527222448 /nfs/dbraw/zinc/22/24/48/527222448.db2.gz VAPLPJYMIYOKKA-JOCHJYFZSA-N 1 1 410.970 4.860 50 0 HJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000000635807 557029563 /nfs/dbraw/zinc/02/95/63/557029563.db2.gz MCAJAZHGTAIUBK-FCHUYYIVSA-N 1 1 414.490 4.561 50 0 HJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1C ZINC000034668120 557361720 /nfs/dbraw/zinc/36/17/20/557361720.db2.gz NBEAWAZITLPWKB-UHFFFAOYSA-N 1 1 413.565 4.556 50 0 HJAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C)cn3)CC2)cc1 ZINC000034681779 557383626 /nfs/dbraw/zinc/38/36/26/557383626.db2.gz HTCUDXOQLHLZKC-UHFFFAOYSA-N 1 1 414.553 4.663 50 0 HJAAMO CCc1ccc([C@@H]2C[C@H](C(=O)N[C@@H](C)CC)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034711326 557390809 /nfs/dbraw/zinc/39/08/09/557390809.db2.gz SXAJTODNDLRFHB-IEXUWNMDSA-N 1 1 408.586 4.778 50 0 HJAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004811079 557600562 /nfs/dbraw/zinc/60/05/62/557600562.db2.gz RQDZLDRYAKHKPP-VWLOTQADSA-N 1 1 417.549 4.764 50 0 HJAAMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004853925 557606642 /nfs/dbraw/zinc/60/66/42/557606642.db2.gz IDNPDJUMNFBNLJ-DQEYMECFSA-N 1 1 421.504 4.557 50 0 HJAAMO CCn1c2ccccc2nc1CN(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011663386 558266978 /nfs/dbraw/zinc/26/69/78/558266978.db2.gz DNLBTQCOIICAPP-HXUWFJFHSA-N 1 1 408.565 4.582 50 0 HJAAMO Cn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)nc2ccccc21 ZINC000011663403 558267036 /nfs/dbraw/zinc/26/70/36/558267036.db2.gz BPKSMEAPZCFOLV-IBGZPJMESA-N 1 1 414.509 4.684 50 0 HJAAMO Cn1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)nc2ccccc21 ZINC000011663403 558267037 /nfs/dbraw/zinc/26/70/37/558267037.db2.gz BPKSMEAPZCFOLV-IBGZPJMESA-N 1 1 414.509 4.684 50 0 HJAAMO CCN(Cc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011708144 558271116 /nfs/dbraw/zinc/27/11/16/558271116.db2.gz OHQBJNFGLRJNBY-OAQYLSRUSA-N 1 1 422.548 4.652 50 0 HJAAMO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)cc1C ZINC000011763962 558273603 /nfs/dbraw/zinc/27/36/03/558273603.db2.gz YBWBHMHFULEDON-VWLOTQADSA-N 1 1 400.526 4.719 50 0 HJAAMO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)cc1C ZINC000011763962 558273605 /nfs/dbraw/zinc/27/36/05/558273605.db2.gz YBWBHMHFULEDON-VWLOTQADSA-N 1 1 400.526 4.719 50 0 HJAAMO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019815066 558287171 /nfs/dbraw/zinc/28/71/71/558287171.db2.gz XEHPFQGYJFBRMW-UHFFFAOYSA-N 1 1 403.551 4.994 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1)Nc1ccccc1F ZINC000011953900 558303302 /nfs/dbraw/zinc/30/33/02/558303302.db2.gz XHWGRJZHRIZPRI-KRWDZBQOSA-N 1 1 412.534 4.704 50 0 HJAAMO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000019939173 558313221 /nfs/dbraw/zinc/31/32/21/558313221.db2.gz IFZKVZLZADETFW-JOCHJYFZSA-N 1 1 421.482 4.631 50 0 HJAAMO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000019939173 558313222 /nfs/dbraw/zinc/31/32/22/558313222.db2.gz IFZKVZLZADETFW-JOCHJYFZSA-N 1 1 421.482 4.631 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012072857 558317923 /nfs/dbraw/zinc/31/79/23/558317923.db2.gz GVNJPQDBLQHYRI-QGZVFWFLSA-N 1 1 412.961 4.947 50 0 HJAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000020096570 558331503 /nfs/dbraw/zinc/33/15/03/558331503.db2.gz QVYKOXYZDYCTPO-UHFFFAOYSA-N 1 1 411.977 4.932 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c(C)c1 ZINC000012209035 558353499 /nfs/dbraw/zinc/35/34/99/558353499.db2.gz GYSZPGRCWKWMOQ-HXUWFJFHSA-N 1 1 408.542 4.837 50 0 HJAAMO COc1cc(C)c(-c2nc(C[NH+]3CCC([C@@H](O)c4cccnc4)CC3)c(C)o2)cc1C ZINC000020406492 558360116 /nfs/dbraw/zinc/36/01/16/558360116.db2.gz ONTVEMDGIZMLOB-XMMPIXPASA-N 1 1 421.541 4.616 50 0 HJAAMO CN(C(=O)c1csc(Cc2ccccc2)n1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012300358 558370323 /nfs/dbraw/zinc/37/03/23/558370323.db2.gz XZNNXAOVIBNUDG-JOCHJYFZSA-N 1 1 419.594 4.513 50 0 HJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012300713 558370640 /nfs/dbraw/zinc/37/06/40/558370640.db2.gz BPOIHWKDOKZBLJ-HXUWFJFHSA-N 1 1 420.532 4.951 50 0 HJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387139 558395877 /nfs/dbraw/zinc/39/58/77/558395877.db2.gz QHNFEBKDOBNEEP-QGZVFWFLSA-N 1 1 418.990 4.913 50 0 HJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387139 558395881 /nfs/dbraw/zinc/39/58/81/558395881.db2.gz QHNFEBKDOBNEEP-QGZVFWFLSA-N 1 1 418.990 4.913 50 0 HJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)c1 ZINC000012432475 558406717 /nfs/dbraw/zinc/40/67/17/558406717.db2.gz COODGUSOAVDXFO-QFIPXVFZSA-N 1 1 406.570 4.513 50 0 HJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2cnn(C)c2)c(C)s1 ZINC000012437417 558409299 /nfs/dbraw/zinc/40/92/99/558409299.db2.gz ZTGZIVSVVSKRHM-UHFFFAOYSA-N 1 1 409.534 4.722 50 0 HJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2cnn(C)c2)c(C)s1 ZINC000012437417 558409301 /nfs/dbraw/zinc/40/93/01/558409301.db2.gz ZTGZIVSVVSKRHM-UHFFFAOYSA-N 1 1 409.534 4.722 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2c(C)n[nH]c2C)c1 ZINC000020782449 558413166 /nfs/dbraw/zinc/41/31/66/558413166.db2.gz XEAVOPJUVHFSTL-UHFFFAOYSA-N 1 1 401.514 4.520 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2c(C)n[nH]c2C)c1 ZINC000020782449 558413168 /nfs/dbraw/zinc/41/31/68/558413168.db2.gz XEAVOPJUVHFSTL-UHFFFAOYSA-N 1 1 401.514 4.520 50 0 HJAAMO O=C(c1cnc2ccccc2c1)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012443812 558413260 /nfs/dbraw/zinc/41/32/60/558413260.db2.gz QLMMVSRTFJWAQQ-MHZLTWQESA-N 1 1 413.565 4.796 50 0 HJAAMO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000012447501 558414998 /nfs/dbraw/zinc/41/49/98/558414998.db2.gz AEIQEFCRIHIYPA-GOSISDBHSA-N 1 1 400.482 4.674 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)o1 ZINC000012474377 558422647 /nfs/dbraw/zinc/42/26/47/558422647.db2.gz IOYWFVPZQXXAPP-QGZVFWFLSA-N 1 1 400.950 4.555 50 0 HJAAMO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593649 558436634 /nfs/dbraw/zinc/43/66/34/558436634.db2.gz JEZSXLBKQNAPOM-QHCPKHFHSA-N 1 1 412.555 4.537 50 0 HJAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593649 558436636 /nfs/dbraw/zinc/43/66/36/558436636.db2.gz JEZSXLBKQNAPOM-QHCPKHFHSA-N 1 1 412.555 4.537 50 0 HJAAMO CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012714560 558454425 /nfs/dbraw/zinc/45/44/25/558454425.db2.gz ADNKDKFKVBGWNQ-SFHVURJKSA-N 1 1 411.908 4.764 50 0 HJAAMO CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012714560 558454427 /nfs/dbraw/zinc/45/44/27/558454427.db2.gz ADNKDKFKVBGWNQ-SFHVURJKSA-N 1 1 411.908 4.764 50 0 HJAAMO O=C(c1ccc2ccccc2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021902744 558455023 /nfs/dbraw/zinc/45/50/23/558455023.db2.gz IZCVFPGDPGDYLM-UHFFFAOYSA-N 1 1 407.517 4.782 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)c(OC)c1 ZINC000012717777 558455809 /nfs/dbraw/zinc/45/58/09/558455809.db2.gz GCDYSGMDHJLZCW-NRFANRHFSA-N 1 1 424.585 4.629 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4nccs4)C3)cc2)c1 ZINC000012751221 558459135 /nfs/dbraw/zinc/45/91/35/558459135.db2.gz JXWYFCGYXGVDBU-LJQANCHMSA-N 1 1 407.539 4.669 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4nccs4)C3)cc2)c1 ZINC000012751221 558459136 /nfs/dbraw/zinc/45/91/36/558459136.db2.gz JXWYFCGYXGVDBU-LJQANCHMSA-N 1 1 407.539 4.669 50 0 HJAAMO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000012756102 558460096 /nfs/dbraw/zinc/46/00/96/558460096.db2.gz CVIPKKGYEATDSW-VWLOTQADSA-N 1 1 402.542 4.615 50 0 HJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cs1 ZINC000012985745 558495260 /nfs/dbraw/zinc/49/52/60/558495260.db2.gz BODNMNBFANWBTL-HXUWFJFHSA-N 1 1 409.580 4.906 50 0 HJAAMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013040226 558506817 /nfs/dbraw/zinc/50/68/17/558506817.db2.gz XCCHYMXISKAQRH-UHFFFAOYSA-N 1 1 424.928 4.704 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013040226 558506819 /nfs/dbraw/zinc/50/68/19/558506819.db2.gz XCCHYMXISKAQRH-UHFFFAOYSA-N 1 1 424.928 4.704 50 0 HJAAMO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000013102739 558514571 /nfs/dbraw/zinc/51/45/71/558514571.db2.gz LNFWCHZNNUOIQJ-WZONZLPQSA-N 1 1 411.571 4.607 50 0 HJAAMO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000013102739 558514575 /nfs/dbraw/zinc/51/45/75/558514575.db2.gz LNFWCHZNNUOIQJ-WZONZLPQSA-N 1 1 411.571 4.607 50 0 HJAAMO Cc1ccc(C[NH2+]Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)o1 ZINC000023337400 558549752 /nfs/dbraw/zinc/54/97/52/558549752.db2.gz OCKPCYCWFXPTFT-UHFFFAOYSA-N 1 1 414.937 4.585 50 0 HJAAMO CC[N@@H+]1CC[C@H](CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636814 558554770 /nfs/dbraw/zinc/55/47/70/558554770.db2.gz ZRGMBGUBVCLYCQ-GOSISDBHSA-N 1 1 424.976 4.633 50 0 HJAAMO CC[N@H+]1CC[C@H](CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636814 558554773 /nfs/dbraw/zinc/55/47/73/558554773.db2.gz ZRGMBGUBVCLYCQ-GOSISDBHSA-N 1 1 424.976 4.633 50 0 HJAAMO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1cccc(OC)c1)CC(C)C ZINC000004459509 558590320 /nfs/dbraw/zinc/59/03/20/558590320.db2.gz JTHNMVSYFSGUCX-UHFFFAOYSA-N 1 1 420.553 4.990 50 0 HJAAMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000024813235 558613547 /nfs/dbraw/zinc/61/35/47/558613547.db2.gz VWIBRQZDWVVDLL-CYBMUJFWSA-N 1 1 400.935 4.551 50 0 HJAAMO O=C(c1cc(-c2ccccc2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027664322 558679475 /nfs/dbraw/zinc/67/94/75/558679475.db2.gz UGYGBTPTHPSBBO-UHFFFAOYSA-N 1 1 423.516 4.889 50 0 HJAAMO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664520 558679654 /nfs/dbraw/zinc/67/96/54/558679654.db2.gz DQYDSSHBHBBDLH-OAQYLSRUSA-N 1 1 400.950 4.679 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]2c2nonc2C)c1 ZINC000015075750 558716307 /nfs/dbraw/zinc/71/63/07/558716307.db2.gz FVDGOFUTDFHMFV-QFIPXVFZSA-N 1 1 415.497 4.576 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H]2c2nonc2C)c1 ZINC000015075750 558716310 /nfs/dbraw/zinc/71/63/10/558716310.db2.gz FVDGOFUTDFHMFV-QFIPXVFZSA-N 1 1 415.497 4.576 50 0 HJAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717221 /nfs/dbraw/zinc/71/72/21/558717221.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 1 1 414.956 4.742 50 0 HJAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717224 /nfs/dbraw/zinc/71/72/24/558717224.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 1 1 414.956 4.742 50 0 HJAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717227 /nfs/dbraw/zinc/71/72/27/558717227.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 1 1 414.956 4.742 50 0 HJAAMO CCOc1ccc(CCC2CC[NH+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000011053746 558719032 /nfs/dbraw/zinc/71/90/32/558719032.db2.gz DNKSKQBKBNYHFA-GOSISDBHSA-N 1 1 405.542 4.728 50 0 HJAAMO CC[C@H](Oc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023379202 558781897 /nfs/dbraw/zinc/78/18/97/558781897.db2.gz HMNAVMCMYZOWRJ-VWLOTQADSA-N 1 1 414.549 4.778 50 0 HJAAMO Fc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000054290411 558867426 /nfs/dbraw/zinc/86/74/26/558867426.db2.gz PWWQYZCGQUTHIW-UHFFFAOYSA-N 1 1 422.504 4.959 50 0 HJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)CCn2ccnc2)c(C)s1 ZINC000055119279 558873252 /nfs/dbraw/zinc/87/32/52/558873252.db2.gz MBTUPRSQBYGAQK-UHFFFAOYSA-N 1 1 409.534 4.685 50 0 HJAAMO COC(=O)c1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000055225963 558876649 /nfs/dbraw/zinc/87/66/49/558876649.db2.gz OLRYPHVQWUVBMD-UHFFFAOYSA-N 1 1 421.585 4.525 50 0 HJAAMO Cc1ccsc1C[N@@H+](Cc1c(Cl)nc2c(C)cccn2c1=O)C1CCCC1 ZINC000055383850 558880656 /nfs/dbraw/zinc/88/06/56/558880656.db2.gz NGBLGUKLQIGFJR-UHFFFAOYSA-N 1 1 401.963 4.971 50 0 HJAAMO CCc1ccc2c(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(=O)oc2c1 ZINC000058160460 558905153 /nfs/dbraw/zinc/90/51/53/558905153.db2.gz RIOULLJPXOHEBY-UHFFFAOYSA-N 1 1 416.443 4.696 50 0 HJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000058164471 558906733 /nfs/dbraw/zinc/90/67/33/558906733.db2.gz BPGKVRAFJRRUSC-UHFFFAOYSA-N 1 1 400.400 4.903 50 0 HJAAMO Cc1cc2cc(NC(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000058167104 558907270 /nfs/dbraw/zinc/90/72/70/558907270.db2.gz HLDSSORLVYAUIB-NRFANRHFSA-N 1 1 401.432 4.869 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267228 558989604 /nfs/dbraw/zinc/98/96/04/558989604.db2.gz ONZLFLHZXGLGIT-LJQANCHMSA-N 1 1 402.542 4.681 50 0 HJAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004747723 559046088 /nfs/dbraw/zinc/04/60/88/559046088.db2.gz NXBHXJUJLANLDR-HZPDHXFCSA-N 1 1 400.544 4.508 50 0 HJAAMO COc1ccc(Nc2cc(C)[nH+]c3c(C)cc(Br)c(N)c23)cc1OC ZINC000085397593 559056763 /nfs/dbraw/zinc/05/67/63/559056763.db2.gz VVZNDUXSQUHHKX-UHFFFAOYSA-N 1 1 402.292 4.957 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023318776 559125708 /nfs/dbraw/zinc/12/57/08/559125708.db2.gz JICISFNKOHSOKT-RUZDIDTESA-N 1 1 402.513 4.990 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)cc1 ZINC000023320137 559125829 /nfs/dbraw/zinc/12/58/29/559125829.db2.gz MAGTXTDSOXIJKC-JOCHJYFZSA-N 1 1 405.929 4.591 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000023319870 559125848 /nfs/dbraw/zinc/12/58/48/559125848.db2.gz RSISHNXLSYWSNA-XMMPIXPASA-N 1 1 406.476 4.821 50 0 HJAAMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248256418 559269635 /nfs/dbraw/zinc/26/96/35/559269635.db2.gz OONFLJARMUMZKP-XUZZJYLKSA-N 1 1 408.542 4.595 50 0 HJAAMO Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000005515982 560603931 /nfs/dbraw/zinc/60/39/31/560603931.db2.gz ZOQYDPIIIKWEMA-YADHBBJMSA-N 1 1 413.868 4.539 50 0 HJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000017305979 560707232 /nfs/dbraw/zinc/70/72/32/560707232.db2.gz ORTCOPLRFIOKGX-IBGZPJMESA-N 1 1 411.509 4.566 50 0 HJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000017305979 560707233 /nfs/dbraw/zinc/70/72/33/560707233.db2.gz ORTCOPLRFIOKGX-IBGZPJMESA-N 1 1 411.509 4.566 50 0 HJAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000206792532 560747775 /nfs/dbraw/zinc/74/77/75/560747775.db2.gz VDZVTAHSCFEJSN-SFHVURJKSA-N 1 1 415.525 4.919 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102718512 560823357 /nfs/dbraw/zinc/82/33/57/560823357.db2.gz PJODBFCKHIRUQA-OAHLLOKOSA-N 1 1 402.951 4.510 50 0 HJAAMO CC[N@@H+]1CCC[C@@H]1Cn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000102718512 560823358 /nfs/dbraw/zinc/82/33/58/560823358.db2.gz PJODBFCKHIRUQA-OAHLLOKOSA-N 1 1 402.951 4.510 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1Cn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000102718512 560823360 /nfs/dbraw/zinc/82/33/60/560823360.db2.gz PJODBFCKHIRUQA-OAHLLOKOSA-N 1 1 402.951 4.510 50 0 HJAAMO CC(C)c1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000051317129 560857198 /nfs/dbraw/zinc/85/71/98/560857198.db2.gz ABCXQCYWXAGYAY-UHFFFAOYSA-N 1 1 404.514 4.711 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@H]2C)c1 ZINC000105380623 560871554 /nfs/dbraw/zinc/87/15/54/560871554.db2.gz CMTQZHTYEISAFS-JNHPGVOLSA-N 1 1 420.597 4.740 50 0 biogenic HJAAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)C1CC1 ZINC000107089698 560895422 /nfs/dbraw/zinc/89/54/22/560895422.db2.gz SHUCLUKNTYWAJZ-JKSUJKDBSA-N 1 1 411.933 4.629 50 0 HJAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)C1CC1 ZINC000107089698 560895423 /nfs/dbraw/zinc/89/54/23/560895423.db2.gz SHUCLUKNTYWAJZ-JKSUJKDBSA-N 1 1 411.933 4.629 50 0 HJAAMO CC(C)c1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032520 568424583 /nfs/dbraw/zinc/42/45/83/568424583.db2.gz FNJGFQIXNRWPHS-UHFFFAOYSA-N 1 1 410.587 4.954 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1cccc3c1OCCO3)CC2 ZINC000048325817 568438814 /nfs/dbraw/zinc/43/88/14/568438814.db2.gz WWQUGFPZOYYJQR-QHCPKHFHSA-N 1 1 423.534 4.684 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1cccc3c1OCCO3)CC2 ZINC000048325817 568438815 /nfs/dbraw/zinc/43/88/15/568438815.db2.gz WWQUGFPZOYYJQR-QHCPKHFHSA-N 1 1 423.534 4.684 50 0 HJAAMO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccccc21 ZINC000020178851 568592997 /nfs/dbraw/zinc/59/29/97/568592997.db2.gz WPQCKCZVEKGYQI-UHFFFAOYSA-N 1 1 423.582 4.524 50 0 HJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288455 568597792 /nfs/dbraw/zinc/59/77/92/568597792.db2.gz IKRAOXRPOHZFJZ-MBSDFSHPSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288461 568597952 /nfs/dbraw/zinc/59/79/52/568597952.db2.gz IYGIPWWXXZHXFW-FDDCHVKYSA-N 1 1 423.557 4.569 50 0 HJAAMO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH+]1CCSCC1 ZINC000095478942 568631912 /nfs/dbraw/zinc/63/19/12/568631912.db2.gz BIAQQTUHHIKDFX-UHFFFAOYSA-N 1 1 406.507 4.767 50 0 HJAAMO CCOCCC1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCC1 ZINC000095993262 568678062 /nfs/dbraw/zinc/67/80/62/568678062.db2.gz KBXHTJWOJXKONS-FQEVSTJZSA-N 1 1 401.595 4.596 50 0 HJAAMO Fc1ccc(-c2csc3ncnc(NCC[N@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021643054 568727732 /nfs/dbraw/zinc/72/77/32/568727732.db2.gz YRTPEDQJUCRNMC-UHFFFAOYSA-N 1 1 404.514 4.968 50 0 HJAAMO Cc1cc2[nH]c(C(=O)Nc3cccc(Cl)c3C)c(C[NH+]3CCOCC3)c2s1 ZINC000096363798 568739564 /nfs/dbraw/zinc/73/95/64/568739564.db2.gz BYGOAENXZDPVQI-UHFFFAOYSA-N 1 1 403.935 4.584 50 0 HJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(OC)ccc2OC)c2cccs2)cc1 ZINC000012616433 568872052 /nfs/dbraw/zinc/87/20/52/568872052.db2.gz PMXWJIAKORPDGZ-HSZRJFAPSA-N 1 1 410.539 4.645 50 0 HJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015350122 568877796 /nfs/dbraw/zinc/87/77/96/568877796.db2.gz HQZCJQZOTNDVLL-VWLOTQADSA-N 1 1 413.521 4.505 50 0 HJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015350122 568877797 /nfs/dbraw/zinc/87/77/97/568877797.db2.gz HQZCJQZOTNDVLL-VWLOTQADSA-N 1 1 413.521 4.505 50 0 HJAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1 ZINC000004193641 568950938 /nfs/dbraw/zinc/95/09/38/568950938.db2.gz SHGGTOGRSUIHRU-SFHVURJKSA-N 1 1 401.576 4.609 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@H]2C)c1 ZINC000059415297 568953208 /nfs/dbraw/zinc/95/32/08/568953208.db2.gz CMTQZHTYEISAFS-NZBCCDEDSA-N 1 1 420.597 4.740 50 0 biogenic HJAAMO COc1ccc(OC)c(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000007976998 568963007 /nfs/dbraw/zinc/96/30/07/568963007.db2.gz IRECGOGSTIUBCU-UHFFFAOYSA-N 1 1 411.546 4.519 50 0 HJAAMO C[C@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000001447679 568985558 /nfs/dbraw/zinc/98/55/58/568985558.db2.gz NTLBQEVTWTXZGF-AWEZNQCLSA-N 1 1 412.415 4.899 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1OC ZINC000015862339 569015792 /nfs/dbraw/zinc/01/57/92/569015792.db2.gz FRJZCRVDMOBYPZ-UHFFFAOYSA-N 1 1 408.542 4.820 50 0 HJAAMO CC[C@H](C)Oc1cccc2c1cc(C(=O)N1CC[NH+](CC)CC1)n2Cc1ccccc1 ZINC000035908489 569065476 /nfs/dbraw/zinc/06/54/76/569065476.db2.gz MSOHNOWWNOFBOQ-FQEVSTJZSA-N 1 1 419.569 4.645 50 0 HJAAMO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000035926129 569066455 /nfs/dbraw/zinc/06/64/55/569066455.db2.gz MQUHPGUBAAUNJM-FQEVSTJZSA-N 1 1 420.605 4.887 50 0 HJAAMO C/C=C\Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2c1cccc2OCC ZINC000035927905 569066504 /nfs/dbraw/zinc/06/65/04/569066504.db2.gz SARREOFEEQVBRN-HYXAFXHYSA-N 1 1 417.553 4.574 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036095316 569089939 /nfs/dbraw/zinc/08/99/39/569089939.db2.gz BZGJWSXFYFJORQ-VWLOTQADSA-N 1 1 405.538 4.584 50 0 HJAAMO CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146335 569098604 /nfs/dbraw/zinc/09/86/04/569098604.db2.gz PJQRPLUIFPUTDT-IRLDBZIGSA-N 1 1 416.949 4.505 50 0 HJAAMO CC(C)CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](C)O ZINC000036207790 569109683 /nfs/dbraw/zinc/10/96/83/569109683.db2.gz NPRZMJQSPQFJLC-AWEZNQCLSA-N 1 1 419.978 4.534 50 0 HJAAMO CC(C)CC[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](C)O ZINC000036207790 569109684 /nfs/dbraw/zinc/10/96/84/569109684.db2.gz NPRZMJQSPQFJLC-AWEZNQCLSA-N 1 1 419.978 4.534 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CC ZINC000036303915 569128759 /nfs/dbraw/zinc/12/87/59/569128759.db2.gz NTJHESNTZPHXBW-OAQYLSRUSA-N 1 1 423.557 4.965 50 0 HJAAMO Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036344868 569142902 /nfs/dbraw/zinc/14/29/02/569142902.db2.gz MWFXNGVTFVOQSQ-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036344868 569142903 /nfs/dbraw/zinc/14/29/03/569142903.db2.gz MWFXNGVTFVOQSQ-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036345250 569143212 /nfs/dbraw/zinc/14/32/12/569143212.db2.gz DJWZQBIAHSICNK-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO Cc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036345250 569143213 /nfs/dbraw/zinc/14/32/13/569143213.db2.gz DJWZQBIAHSICNK-RUZDIDTESA-N 1 1 415.512 4.944 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006881412 569167800 /nfs/dbraw/zinc/16/78/00/569167800.db2.gz NEFDEYVOBDXMSF-HXUWFJFHSA-N 1 1 405.523 4.776 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006881412 569167801 /nfs/dbraw/zinc/16/78/01/569167801.db2.gz NEFDEYVOBDXMSF-HXUWFJFHSA-N 1 1 405.523 4.776 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935710 569186415 /nfs/dbraw/zinc/18/64/15/569186415.db2.gz BGQQNANNZKZEIH-KRWDZBQOSA-N 1 1 414.981 4.534 50 0 HJAAMO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C(C)C ZINC000065322289 569224561 /nfs/dbraw/zinc/22/45/61/569224561.db2.gz FGRRJGCFOGFXQE-UHFFFAOYSA-N 1 1 420.557 4.929 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007362922 569235506 /nfs/dbraw/zinc/23/55/06/569235506.db2.gz FGUAVANDUYNGHL-SFHVURJKSA-N 1 1 411.596 4.901 50 0 HJAAMO CSc1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007496120 569242450 /nfs/dbraw/zinc/24/24/50/569242450.db2.gz CYRBMSJKIUDCHP-QFIPXVFZSA-N 1 1 414.571 4.947 50 0 HJAAMO CSc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007496120 569242451 /nfs/dbraw/zinc/24/24/51/569242451.db2.gz CYRBMSJKIUDCHP-QFIPXVFZSA-N 1 1 414.571 4.947 50 0 HJAAMO CCO[C@H](C)c1nc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@@H]32)cs1 ZINC000252671075 569319385 /nfs/dbraw/zinc/31/93/85/569319385.db2.gz MPPZIXAFTCORID-QGJLOBTQSA-N 1 1 421.651 4.925 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000002405815 569395958 /nfs/dbraw/zinc/39/59/58/569395958.db2.gz KTVXTLHHFMATLT-IEZKXTBUSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000002405815 569395960 /nfs/dbraw/zinc/39/59/60/569395960.db2.gz KTVXTLHHFMATLT-IEZKXTBUSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002417586 569397544 /nfs/dbraw/zinc/39/75/44/569397544.db2.gz CGUVAVYGSRWKBY-ZEQRLZLVSA-N 1 1 410.452 4.938 50 0 HJAAMO CC[C@H](c1nnc(SCc2ccccc2OC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000039964448 571135152 /nfs/dbraw/zinc/13/51/52/571135152.db2.gz HZEHNDCAWICWBV-LJQANCHMSA-N 1 1 412.559 4.590 50 0 HJAAMO CC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000245237533 571219332 /nfs/dbraw/zinc/21/93/32/571219332.db2.gz MMLOCJHQBNKCNH-YADHBBJMSA-N 1 1 408.542 4.561 50 0 HJAAMO CC[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000245237533 571219333 /nfs/dbraw/zinc/21/93/33/571219333.db2.gz MMLOCJHQBNKCNH-YADHBBJMSA-N 1 1 408.542 4.561 50 0 HJAAMO CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](CC)CC2)cc1 ZINC000002865872 132258670 /nfs/dbraw/zinc/25/86/70/132258670.db2.gz RUCCPOPCEUMBSP-UHFFFAOYSA-N 1 1 415.965 4.913 50 0 HJAAMO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1OCc1ccccc1 ZINC000004981084 132297540 /nfs/dbraw/zinc/29/75/40/132297540.db2.gz ACBJOQQUXRDVGY-UHFFFAOYSA-N 1 1 406.501 4.736 50 0 HJAAMO Fc1ccccc1N1CC[NH+](Cn2c3ccccc3nc2COc2ccccc2)CC1 ZINC000012550450 132363030 /nfs/dbraw/zinc/36/30/30/132363030.db2.gz KZVRCVLWWHDEBM-UHFFFAOYSA-N 1 1 416.500 4.534 50 0 HJAAMO O=C(C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)N1CCc2ccccc2C1 ZINC000045771110 526303578 /nfs/dbraw/zinc/30/35/78/526303578.db2.gz WWMZQJAXDVWDGS-UHFFFAOYSA-N 1 1 403.353 4.790 50 0 HJAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740769 557444457 /nfs/dbraw/zinc/44/44/57/557444457.db2.gz PBNHKGZKMXCOHO-NZQKXSOJSA-N 1 1 402.941 4.952 50 0 HJAAMO CC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1c1ccc(F)cc1 ZINC000034740683 557444503 /nfs/dbraw/zinc/44/45/03/557444503.db2.gz GFEIWMIZKVDXPZ-UPVQGACJSA-N 1 1 414.540 4.993 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000005065773 557633900 /nfs/dbraw/zinc/63/39/00/557633900.db2.gz IKCGWVUTHIGBAR-LEWJYISDSA-N 1 1 402.454 4.691 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C1 ZINC000002467069 557735260 /nfs/dbraw/zinc/73/52/60/557735260.db2.gz CYEQQLJWIGSLNW-BETUJISGSA-N 1 1 405.365 4.698 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022671673 557736893 /nfs/dbraw/zinc/73/68/93/557736893.db2.gz BZDDIFASNRNFFW-LJQANCHMSA-N 1 1 402.542 4.738 50 0 HJAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022671673 557736895 /nfs/dbraw/zinc/73/68/95/557736895.db2.gz BZDDIFASNRNFFW-LJQANCHMSA-N 1 1 402.542 4.738 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022671673 557736897 /nfs/dbraw/zinc/73/68/97/557736897.db2.gz BZDDIFASNRNFFW-LJQANCHMSA-N 1 1 402.542 4.738 50 0 HJAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)c1 ZINC000011768997 558274104 /nfs/dbraw/zinc/27/41/04/558274104.db2.gz HPTSMVIHDDEBDU-LJVYOXIMSA-N 1 1 410.602 4.628 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011769587 558274406 /nfs/dbraw/zinc/27/44/06/558274406.db2.gz ZYQKQIGNJRYHJT-HXUWFJFHSA-N 1 1 407.533 4.724 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)c1 ZINC000011818726 558281825 /nfs/dbraw/zinc/28/18/25/558281825.db2.gz GULNESRGPGIJLW-QFIPXVFZSA-N 1 1 401.510 4.608 50 0 HJAAMO Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)c1 ZINC000019819701 558290110 /nfs/dbraw/zinc/29/01/10/558290110.db2.gz UQGGKZNKLSRHCA-UHFFFAOYSA-N 1 1 419.575 4.977 50 0 HJAAMO Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)c1 ZINC000019819701 558290114 /nfs/dbraw/zinc/29/01/14/558290114.db2.gz UQGGKZNKLSRHCA-UHFFFAOYSA-N 1 1 419.575 4.977 50 0 HJAAMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019832608 558292322 /nfs/dbraw/zinc/29/23/22/558292322.db2.gz PFNLTXPEWXUGPM-UHFFFAOYSA-N 1 1 414.505 4.674 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)c(OC)c1 ZINC000011879849 558294550 /nfs/dbraw/zinc/29/45/50/558294550.db2.gz IDIXZDSWISMNKZ-MOVYNIQHSA-N 1 1 422.569 4.526 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000011932945 558297652 /nfs/dbraw/zinc/29/76/52/558297652.db2.gz UHKSZPKXMRMLQZ-JOCHJYFZSA-N 1 1 406.482 4.782 50 0 HJAAMO COc1ccc(CN2C(=O)CC[C@@H]3C[N@H+](C/C(C)=C/c4ccccc4)CC[C@@H]32)cc1 ZINC000011982853 558306133 /nfs/dbraw/zinc/30/61/33/558306133.db2.gz WIKFEKCZVBGJNY-KFYHQIPESA-N 1 1 404.554 4.612 50 0 HJAAMO C[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019938361 558312964 /nfs/dbraw/zinc/31/29/64/558312964.db2.gz SEULJEZGONHHKG-HXUWFJFHSA-N 1 1 418.512 4.527 50 0 HJAAMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166851 558342906 /nfs/dbraw/zinc/34/29/06/558342906.db2.gz DXYGHXJEWPQNKR-FQEVSTJZSA-N 1 1 418.512 4.527 50 0 HJAAMO CCOC(=O)C1(CCc2ccccc2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020232065 558350082 /nfs/dbraw/zinc/35/00/82/558350082.db2.gz YKWQKHPARSDAEC-RUZDIDTESA-N 1 1 420.597 4.539 50 0 HJAAMO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000020232065 558350084 /nfs/dbraw/zinc/35/00/84/558350084.db2.gz YKWQKHPARSDAEC-RUZDIDTESA-N 1 1 420.597 4.539 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c(C)c1 ZINC000012209030 558353453 /nfs/dbraw/zinc/35/34/53/558353453.db2.gz GYSZPGRCWKWMOQ-FQEVSTJZSA-N 1 1 408.542 4.837 50 0 HJAAMO Cc1ccc(C[NH2+]Cc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)o1 ZINC000012247901 558362026 /nfs/dbraw/zinc/36/20/26/558362026.db2.gz ZDRYNACVSBFBMU-UHFFFAOYSA-N 1 1 420.440 4.873 50 0 HJAAMO C[N@@H+](Cc1ccc(OCCNC(=O)c2ccco2)cc1)Cc1cccc2ccccc21 ZINC000012278666 558364732 /nfs/dbraw/zinc/36/47/32/558364732.db2.gz YNNLYUMNJKFBCJ-UHFFFAOYSA-N 1 1 414.505 4.874 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012297772 558367982 /nfs/dbraw/zinc/36/79/82/558367982.db2.gz ILXRYXHUUNCMJQ-QGZVFWFLSA-N 1 1 422.466 4.871 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000012299410 558369535 /nfs/dbraw/zinc/36/95/35/558369535.db2.gz OQGSQEASKDIFFW-RUZDIDTESA-N 1 1 407.533 4.650 50 0 HJAAMO CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012315312 558378576 /nfs/dbraw/zinc/37/85/76/558378576.db2.gz WPCFLEXUFPRHNT-QGZVFWFLSA-N 1 1 418.969 4.504 50 0 HJAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000012442654 558412598 /nfs/dbraw/zinc/41/25/98/558412598.db2.gz TXUPETBURFQWHJ-QHCPKHFHSA-N 1 1 414.521 4.906 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012745824 558458117 /nfs/dbraw/zinc/45/81/17/558458117.db2.gz IIMAOFQFWGCFHR-FQEVSTJZSA-N 1 1 409.578 4.798 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cccn1 ZINC000012759214 558460719 /nfs/dbraw/zinc/46/07/19/558460719.db2.gz JBYLARROVLVBPI-HXUWFJFHSA-N 1 1 423.944 4.688 50 0 HJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c3ccccc3n2)cc1 ZINC000012781643 558463029 /nfs/dbraw/zinc/46/30/29/558463029.db2.gz LJVCNWXUTOFMRI-HSZRJFAPSA-N 1 1 415.493 4.536 50 0 HJAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000012836350 558478359 /nfs/dbraw/zinc/47/83/59/558478359.db2.gz PQLUVDWIUZYJNS-KRWDZBQOSA-N 1 1 423.479 4.749 50 0 HJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000013594324 558546572 /nfs/dbraw/zinc/54/65/72/558546572.db2.gz STLANVPBNLOVOP-WUTDNEBXSA-N 1 1 410.533 4.656 50 0 HJAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000013594200 558546670 /nfs/dbraw/zinc/54/66/70/558546670.db2.gz PFZDEQRNMSOCNQ-FTUXVVSKSA-N 1 1 422.569 4.526 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023379450 558555216 /nfs/dbraw/zinc/55/52/16/558555216.db2.gz IXAMHLQGCSEHFA-UHFFFAOYSA-N 1 1 420.940 4.896 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004457278 558590053 /nfs/dbraw/zinc/59/00/53/558590053.db2.gz NNICBAXLGZEEDC-QFIPXVFZSA-N 1 1 404.526 4.697 50 0 HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013779021 558592899 /nfs/dbraw/zinc/59/28/99/558592899.db2.gz MKTCJRDZURCFKV-HDYLNDSGSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000014095690 558620159 /nfs/dbraw/zinc/62/01/59/558620159.db2.gz VSSJFHVNFXZJMU-QFIPXVFZSA-N 1 1 415.942 4.502 50 0 HJAAMO Cc1sc(-c2ccco2)nc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024977004 558623801 /nfs/dbraw/zinc/62/38/01/558623801.db2.gz LZBHNNCZEDYJJT-UHFFFAOYSA-N 1 1 417.534 4.823 50 0 HJAAMO O=C1N[C@@H](c2cccc(Cl)c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004525612 558653217 /nfs/dbraw/zinc/65/32/17/558653217.db2.gz BTLPDUADAMVPBD-HXUWFJFHSA-N 1 1 409.942 4.814 50 0 HJAAMO O=C1N[C@@H](c2cccc(Cl)c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004525612 558653219 /nfs/dbraw/zinc/65/32/19/558653219.db2.gz BTLPDUADAMVPBD-HXUWFJFHSA-N 1 1 409.942 4.814 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)o1 ZINC000015061808 558704845 /nfs/dbraw/zinc/70/48/45/558704845.db2.gz MMSGTTUCPJPQJK-MRXNPFEDSA-N 1 1 420.937 4.719 50 0 HJAAMO Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c2ccccc21 ZINC000015063441 558706235 /nfs/dbraw/zinc/70/62/35/558706235.db2.gz BYUVJZXSNKZXCI-LJQANCHMSA-N 1 1 407.533 4.626 50 0 HJAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000015065025 558707743 /nfs/dbraw/zinc/70/77/43/558707743.db2.gz BWDOZHNZHDBRPE-QGZVFWFLSA-N 1 1 410.436 4.977 50 0 HJAAMO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015074128 558715020 /nfs/dbraw/zinc/71/50/20/558715020.db2.gz WSMCSCCEVFIGNN-UHFFFAOYSA-N 1 1 404.297 4.527 50 0 HJAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860448 558758206 /nfs/dbraw/zinc/75/82/06/558758206.db2.gz VSTQCSRLMJGXMD-IBGZPJMESA-N 1 1 413.905 4.853 50 0 HJAAMO COc1ccccc1C[N@@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037357089 558804332 /nfs/dbraw/zinc/80/43/32/558804332.db2.gz XHJJDCRROARHHC-KRWDZBQOSA-N 1 1 424.932 4.642 50 0 HJAAMO COc1ccccc1C[N@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037357089 558804334 /nfs/dbraw/zinc/80/43/34/558804334.db2.gz XHJJDCRROARHHC-KRWDZBQOSA-N 1 1 424.932 4.642 50 0 HJAAMO Cc1c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000019223522 558852315 /nfs/dbraw/zinc/85/23/15/558852315.db2.gz GUTBCWSWTOJUFP-GOSISDBHSA-N 1 1 424.539 4.817 50 0 HJAAMO COc1ccc(-n2cc(C[NH2+][C@H](C)c3ccncn3)c(-c3ccccc3Cl)n2)cc1 ZINC000055061042 558871324 /nfs/dbraw/zinc/87/13/24/558871324.db2.gz NKUFAQWKZFXOJD-MRXNPFEDSA-N 1 1 419.916 4.842 50 0 HJAAMO COc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000058134438 558900825 /nfs/dbraw/zinc/90/08/25/558900825.db2.gz TVRUGFQIRMXBRZ-MRXNPFEDSA-N 1 1 407.341 4.644 50 0 HJAAMO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2Nc2ccnc3c(Cl)cccc23)C1 ZINC000071770921 558911295 /nfs/dbraw/zinc/91/12/95/558911295.db2.gz JJMUFOYJVPDJMZ-INIZCTEOSA-N 1 1 408.933 4.846 50 0 HJAAMO COc1ccccc1N1CC[NH+](CCC(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC000071784990 558911820 /nfs/dbraw/zinc/91/18/20/558911820.db2.gz CDZUHAREOQMHRR-UHFFFAOYSA-N 1 1 414.505 4.990 50 0 HJAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)c1 ZINC000019535811 558913761 /nfs/dbraw/zinc/91/37/61/558913761.db2.gz MFNHSKYNIIABEO-DEOSSOPVSA-N 1 1 420.988 4.675 50 0 HJAAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279475 558916207 /nfs/dbraw/zinc/91/62/07/558916207.db2.gz DOAKTEUGRXTKCL-GOSISDBHSA-N 1 1 421.566 4.842 50 0 HJAAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279475 558916210 /nfs/dbraw/zinc/91/62/10/558916210.db2.gz DOAKTEUGRXTKCL-GOSISDBHSA-N 1 1 421.566 4.842 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000023317756 559117504 /nfs/dbraw/zinc/11/75/04/559117504.db2.gz JWUPBBFJKBPNEY-HSZRJFAPSA-N 1 1 405.929 4.591 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000023322264 559133976 /nfs/dbraw/zinc/13/39/76/559133976.db2.gz RAXIUXQWSCHGNY-XMMPIXPASA-N 1 1 406.476 4.821 50 0 HJAAMO Cc1ccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)cc1 ZINC000004908771 559201081 /nfs/dbraw/zinc/20/10/81/559201081.db2.gz UWFIDYGSFKOAFK-HSZRJFAPSA-N 1 1 400.563 4.866 50 0 HJAAMO C[N@@H+](CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000004938416 559211451 /nfs/dbraw/zinc/21/14/51/559211451.db2.gz IRBLSZSLQKNBEZ-UHFFFAOYSA-N 1 1 409.942 4.965 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000005053753 559238917 /nfs/dbraw/zinc/23/89/17/559238917.db2.gz MCZWQRPBPUICEI-PKTZIBPZSA-N 1 1 414.415 4.769 50 0 HJAAMO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037587443 559255493 /nfs/dbraw/zinc/25/54/93/559255493.db2.gz OKYJMLWCEDURJL-UHFFFAOYSA-N 1 1 402.485 4.627 50 0 HJAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000003429379 560594574 /nfs/dbraw/zinc/59/45/74/560594574.db2.gz PPQJDTDZMUGXHN-SFHVURJKSA-N 1 1 402.966 4.727 50 0 HJAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000003429379 560594576 /nfs/dbraw/zinc/59/45/76/560594576.db2.gz PPQJDTDZMUGXHN-SFHVURJKSA-N 1 1 402.966 4.727 50 0 HJAAMO C[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2C1 ZINC000017952917 560731303 /nfs/dbraw/zinc/73/13/03/560731303.db2.gz AYJMLJPPLPOZKD-XATQLNLPSA-N 1 1 416.377 4.795 50 0 HJAAMO COC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C ZINC000103066159 560837325 /nfs/dbraw/zinc/83/73/25/560837325.db2.gz PNELKRCGFUQFQS-HYBUGGRVSA-N 1 1 400.607 4.688 50 0 HJAAMO CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982662 560858683 /nfs/dbraw/zinc/85/86/83/560858683.db2.gz FDNWKKVCEHPPHI-LEWJYISDSA-N 1 1 404.913 4.635 50 0 HJAAMO CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982665 560858748 /nfs/dbraw/zinc/85/87/48/560858748.db2.gz FDNWKKVCEHPPHI-NHCUHLMSSA-N 1 1 404.913 4.635 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000008188070 568493602 /nfs/dbraw/zinc/49/36/02/568493602.db2.gz MJNUYNBAJBHWDK-AOYPEHQESA-N 1 1 405.538 4.603 50 0 HJAAMO Cc1c(Cl)cccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927255 568651540 /nfs/dbraw/zinc/65/15/40/568651540.db2.gz VWUIZHJOXIAGEY-UHFFFAOYSA-N 1 1 414.962 4.810 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Cl)C1 ZINC000020927444 568651583 /nfs/dbraw/zinc/65/15/83/568651583.db2.gz IRKAFUIJHIXEKX-UHFFFAOYSA-N 1 1 414.962 4.892 50 0 HJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1c(C)nn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979361 568654120 /nfs/dbraw/zinc/65/41/20/568654120.db2.gz YRUMYRQQEHQFJR-UHFFFAOYSA-N 1 1 421.589 4.522 50 0 HJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cc(Br)ccc2s1 ZINC000096345477 568737509 /nfs/dbraw/zinc/73/75/09/568737509.db2.gz DYWSESICKUPINO-CZUORRHYSA-N 1 1 407.377 4.658 50 0 HJAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(Cl)cc3C)c(C[NH+]3CCOCC3)c2s1 ZINC000096363834 568739646 /nfs/dbraw/zinc/73/96/46/568739646.db2.gz IKCWALWZATTZNO-UHFFFAOYSA-N 1 1 403.935 4.584 50 0 HJAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccccc1 ZINC000057273741 568825622 /nfs/dbraw/zinc/82/56/22/568825622.db2.gz MIJFKINRTPRSPY-XMMPIXPASA-N 1 1 404.510 4.694 50 0 HJAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1 ZINC000057273741 568825623 /nfs/dbraw/zinc/82/56/23/568825623.db2.gz MIJFKINRTPRSPY-XMMPIXPASA-N 1 1 404.510 4.694 50 0 HJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057312426 568826619 /nfs/dbraw/zinc/82/66/19/568826619.db2.gz AJKWLCSCQYIHTN-QHCPKHFHSA-N 1 1 408.571 4.940 50 0 HJAAMO COC(CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)OC ZINC000002974750 568832376 /nfs/dbraw/zinc/83/23/76/568832376.db2.gz HYIQTWSAMPFEKP-UHFFFAOYSA-N 1 1 408.889 4.772 50 0 HJAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccccc1 ZINC000299762545 568873367 /nfs/dbraw/zinc/87/33/67/568873367.db2.gz NFTONVYMLKQLHO-OAHLLOKOSA-N 1 1 423.538 4.567 50 0 HJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058434667 568918879 /nfs/dbraw/zinc/91/88/79/568918879.db2.gz ZDMCHGBQXPSEAK-HYBUGGRVSA-N 1 1 421.585 4.548 50 0 HJAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000025936025 568939730 /nfs/dbraw/zinc/93/97/30/568939730.db2.gz JIHMRFWBPBKOBR-UHFFFAOYSA-N 1 1 411.329 4.861 50 0 HJAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753070 568941739 /nfs/dbraw/zinc/94/17/39/568941739.db2.gz AVFTVBCYKFWION-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753070 568941741 /nfs/dbraw/zinc/94/17/41/568941741.db2.gz AVFTVBCYKFWION-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)C[C@H]2C)c1 ZINC000059415247 568953104 /nfs/dbraw/zinc/95/31/04/568953104.db2.gz LIJUVLVUENDGRW-NZBCCDEDSA-N 1 1 422.613 4.964 50 0 biogenic HJAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1ccco1 ZINC000012784422 568959418 /nfs/dbraw/zinc/95/94/18/568959418.db2.gz WLPNHMPFUSCNPG-JOCHJYFZSA-N 1 1 403.457 4.667 50 0 HJAAMO CC1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000006052008 568988117 /nfs/dbraw/zinc/98/81/17/568988117.db2.gz UVVUMMGAJMWVFM-UHFFFAOYSA-N 1 1 419.447 4.628 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310333 568988550 /nfs/dbraw/zinc/98/85/50/568988550.db2.gz BOVNIOLDXOTXHD-NRFANRHFSA-N 1 1 408.542 4.748 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310333 568988551 /nfs/dbraw/zinc/98/85/51/568988551.db2.gz BOVNIOLDXOTXHD-NRFANRHFSA-N 1 1 408.542 4.748 50 0 HJAAMO COc1ccc(OCc2noc(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000012816924 568989982 /nfs/dbraw/zinc/98/99/82/568989982.db2.gz XNRUMSZXVNEXHB-UHFFFAOYSA-N 1 1 418.497 4.518 50 0 HJAAMO C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012819850 568991777 /nfs/dbraw/zinc/99/17/77/568991777.db2.gz NFBTVHFKXVGQGP-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012819850 568991779 /nfs/dbraw/zinc/99/17/79/568991779.db2.gz NFBTVHFKXVGQGP-UHFFFAOYSA-N 1 1 414.720 4.546 50 0 HJAAMO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296766 569054085 /nfs/dbraw/zinc/05/40/85/569054085.db2.gz DGNAVYCUSZQRHE-GJZGRUSLSA-N 1 1 413.974 5.729 50 0 HJAAMO O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296766 569054086 /nfs/dbraw/zinc/05/40/86/569054086.db2.gz DGNAVYCUSZQRHE-GJZGRUSLSA-N 1 1 413.974 5.729 50 0 HJAAMO c1ccc(COc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000239425800 569054336 /nfs/dbraw/zinc/05/43/36/569054336.db2.gz VGVHPQNRDXFRDX-RRPNLBNLSA-N 1 1 404.598 5.495 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000245226212 569055156 /nfs/dbraw/zinc/05/51/56/569055156.db2.gz KTVXTLHHFMATLT-GVXSCFBNSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000245226212 569055157 /nfs/dbraw/zinc/05/51/57/569055157.db2.gz KTVXTLHHFMATLT-GVXSCFBNSA-N 1 1 410.533 4.749 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095328 569089853 /nfs/dbraw/zinc/08/98/53/569089853.db2.gz BMCJNEFUYVUIKF-DEOSSOPVSA-N 1 1 405.538 4.754 50 0 biogenic HJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)c1 ZINC000036103919 569092294 /nfs/dbraw/zinc/09/22/94/569092294.db2.gz ODDGZYUHKUONEK-XMMPIXPASA-N 1 1 403.522 4.638 50 0 HJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(C)[nH+]1 ZINC000064800794 569097376 /nfs/dbraw/zinc/09/73/76/569097376.db2.gz VPSLPDPCTQWFFO-UHFFFAOYSA-N 1 1 416.279 4.568 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](C)O ZINC000036303928 569128763 /nfs/dbraw/zinc/12/87/63/569128763.db2.gz PEQHKVXTPSCVSN-SFHVURJKSA-N 1 1 409.530 4.574 50 0 HJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306589 569129352 /nfs/dbraw/zinc/12/93/52/569129352.db2.gz FKGAHUYUPABALT-IBGZPJMESA-N 1 1 405.542 4.781 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307050 569129430 /nfs/dbraw/zinc/12/94/30/569129430.db2.gz ODEFNUIXSKLOMU-FQEVSTJZSA-N 1 1 411.521 5.000 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307116 569129433 /nfs/dbraw/zinc/12/94/33/569129433.db2.gz CHHRVULHSPDYPU-HXUWFJFHSA-N 1 1 409.505 4.754 50 0 HJAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344122 569142546 /nfs/dbraw/zinc/14/25/46/569142546.db2.gz SDCMBWPYFLEVBL-VWLOTQADSA-N 1 1 419.569 4.866 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](C)O ZINC000036346604 569143826 /nfs/dbraw/zinc/14/38/26/569143826.db2.gz VSCCKOSYVDVSEE-INIZCTEOSA-N 1 1 415.484 4.844 50 0 HJAAMO Cc1ccc(C)c(C[N@@H+]2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)c1 ZINC000065257913 569209804 /nfs/dbraw/zinc/20/98/04/569209804.db2.gz RWOLHLBAMFVGNX-UHFFFAOYSA-N 1 1 405.546 4.584 50 0 HJAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013320849 569254900 /nfs/dbraw/zinc/25/49/00/569254900.db2.gz XARAMEMJHWMYGJ-UHFFFAOYSA-N 1 1 411.855 4.751 50 0 HJAAMO CCc1ccc(-c2nc3sc(N4CC[NH+](CC)CC4)nn3c2NC2CCCC2)cc1 ZINC000013347061 569410745 /nfs/dbraw/zinc/41/07/45/569410745.db2.gz NAXGTVGHCJJXQM-UHFFFAOYSA-N 1 1 424.618 4.517 50 0 HJAAMO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096545129 132227415 /nfs/dbraw/zinc/22/74/15/132227415.db2.gz OHEWWRQHRXUARZ-XFXZXTDPSA-N 1 1 423.564 4.849 50 0 HJAAMO O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000001425254 132245919 /nfs/dbraw/zinc/24/59/19/132245919.db2.gz BOWSCRUZYLRQHG-UHFFFAOYSA-N 1 1 422.262 4.782 50 0 HJAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC000032860422 524026595 /nfs/dbraw/zinc/02/65/95/524026595.db2.gz ZHAXWLUKDWANMV-UHFFFAOYSA-N 1 1 414.958 4.911 50 0 HJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC000032860422 524026597 /nfs/dbraw/zinc/02/65/97/524026597.db2.gz ZHAXWLUKDWANMV-UHFFFAOYSA-N 1 1 414.958 4.911 50 0 HJAAMO Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032952903 525861989 /nfs/dbraw/zinc/86/19/89/525861989.db2.gz GAMLKOJCIMDLCR-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO Fc1cccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019841123 526396137 /nfs/dbraw/zinc/39/61/37/526396137.db2.gz RKGGJWTWDQDLHO-UHFFFAOYSA-N 1 1 405.542 4.930 50 0 HJAAMO O=C(c1cccc2ncccc21)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938586 526788582 /nfs/dbraw/zinc/78/85/82/526788582.db2.gz WYJWSPLRMVDYFX-UHFFFAOYSA-N 1 1 413.546 4.921 50 0 HJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000001447718 557266909 /nfs/dbraw/zinc/26/69/09/557266909.db2.gz LYFQYWGUPJANIH-HXUWFJFHSA-N 1 1 400.482 4.687 50 0 HJAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C4CCCCC4)cn3)CC2)cc1 ZINC000034681960 557384009 /nfs/dbraw/zinc/38/40/09/557384009.db2.gz UHEUJDOEJRYGNH-UHFFFAOYSA-N 1 1 406.574 4.621 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000002917763 557426850 /nfs/dbraw/zinc/42/68/50/557426850.db2.gz ZQDRDNIZJXQOGO-ZEQRLZLVSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1cc([C@H]2C[C@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716623 557430112 /nfs/dbraw/zinc/43/01/12/557430112.db2.gz YGPVRDVNBSBAIV-SFTDATJTSA-N 1 1 424.491 4.788 50 0 HJAAMO O=C1NC2(CC[NH+](Cc3ccccc3C(F)(F)F)CC2)Nc2cccc(Cl)c21 ZINC000034812235 557464839 /nfs/dbraw/zinc/46/48/39/557464839.db2.gz FZTQZPIAALEPHL-UHFFFAOYSA-N 1 1 409.839 4.506 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)CC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855774 557477312 /nfs/dbraw/zinc/47/73/12/557477312.db2.gz YXVFQXNSKOUGRN-NIYFSFCBSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)CC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855774 557477315 /nfs/dbraw/zinc/47/73/15/557477315.db2.gz YXVFQXNSKOUGRN-NIYFSFCBSA-N 1 1 424.585 4.662 50 0 HJAAMO CCn1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1-c1cccc(Cl)c1 ZINC000034901646 557481419 /nfs/dbraw/zinc/48/14/19/557481419.db2.gz SFMDSTKPZVDOMZ-SFHVURJKSA-N 1 1 422.960 4.742 50 0 HJAAMO Cc1cc(C)c(-c2cc(C(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)nn2C)c(C)c1 ZINC000034901546 557481494 /nfs/dbraw/zinc/48/14/94/557481494.db2.gz YNCRGSRFQOKIJX-NRFANRHFSA-N 1 1 416.569 4.531 50 0 HJAAMO CCC[N@@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000004817138 557601470 /nfs/dbraw/zinc/60/14/70/557601470.db2.gz FLIYPTCLHYBSSA-UHFFFAOYSA-N 1 1 403.573 4.502 50 0 HJAAMO CCC[N@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000004817138 557601473 /nfs/dbraw/zinc/60/14/73/557601473.db2.gz FLIYPTCLHYBSSA-UHFFFAOYSA-N 1 1 403.573 4.502 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022671677 557736881 /nfs/dbraw/zinc/73/68/81/557736881.db2.gz BZDDIFASNRNFFW-IBGZPJMESA-N 1 1 402.542 4.738 50 0 HJAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022671677 557736882 /nfs/dbraw/zinc/73/68/82/557736882.db2.gz BZDDIFASNRNFFW-IBGZPJMESA-N 1 1 402.542 4.738 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022671677 557736885 /nfs/dbraw/zinc/73/68/85/557736885.db2.gz BZDDIFASNRNFFW-IBGZPJMESA-N 1 1 402.542 4.738 50 0 HJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(OC)c1 ZINC000019790854 558282515 /nfs/dbraw/zinc/28/25/15/558282515.db2.gz LEPVNOMIKSBSLY-MRXNPFEDSA-N 1 1 418.497 4.615 50 0 HJAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019797553 558284735 /nfs/dbraw/zinc/28/47/35/558284735.db2.gz NVBJZNQZDJCBMD-HXUWFJFHSA-N 1 1 417.336 4.580 50 0 HJAAMO Cc1ccc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000011879162 558293637 /nfs/dbraw/zinc/29/36/37/558293637.db2.gz ONAFEZASPUHDED-UHFFFAOYSA-N 1 1 401.466 4.801 50 0 HJAAMO O=C(NCCSCc1ccco1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019929657 558309532 /nfs/dbraw/zinc/30/95/32/558309532.db2.gz JWQXXHKSCCSGLJ-UHFFFAOYSA-N 1 1 406.551 4.501 50 0 HJAAMO Cc1ccc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000012051720 558314408 /nfs/dbraw/zinc/31/44/08/558314408.db2.gz GTQXIOWLGLBUQL-NRFANRHFSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1ccc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000012051720 558314410 /nfs/dbraw/zinc/31/44/10/558314410.db2.gz GTQXIOWLGLBUQL-NRFANRHFSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1ccc(OCc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1C ZINC000020028487 558322818 /nfs/dbraw/zinc/32/28/18/558322818.db2.gz DPIWLHBNBDQDBC-UHFFFAOYSA-N 1 1 414.549 4.840 50 0 HJAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012201213 558351489 /nfs/dbraw/zinc/35/14/89/558351489.db2.gz HFHNPHMZHOPCMM-HXUWFJFHSA-N 1 1 421.560 4.951 50 0 HJAAMO c1ccc(COc2cccc(C[N@@H+]3CCc4nnc(-c5ccccc5)n4CC3)c2)cc1 ZINC000020453240 558367496 /nfs/dbraw/zinc/36/74/96/558367496.db2.gz SQLUPBHEWMALJK-UHFFFAOYSA-N 1 1 410.521 4.582 50 0 HJAAMO CSc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012302897 558372662 /nfs/dbraw/zinc/37/26/62/558372662.db2.gz BJXUSHOXYPQHRI-IBGZPJMESA-N 1 1 406.555 4.649 50 0 HJAAMO CN(Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012304915 558374119 /nfs/dbraw/zinc/37/41/19/558374119.db2.gz GQHMAXASOPVKLB-NRFANRHFSA-N 1 1 406.549 4.602 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1)Nc1ccccc1F ZINC000012305019 558374216 /nfs/dbraw/zinc/37/42/16/558374216.db2.gz HLOQOBUYSNJOMN-KRWDZBQOSA-N 1 1 424.495 4.986 50 0 HJAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CCc1ccccc1)N1CCCC1 ZINC000020776892 558412145 /nfs/dbraw/zinc/41/21/45/558412145.db2.gz CJMXQGBFPYSJGI-QFIPXVFZSA-N 1 1 416.569 4.558 50 0 HJAAMO COc1ccc(-n2cc(C[NH2+]Cc3cc(C)n(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000012441680 558412408 /nfs/dbraw/zinc/41/24/08/558412408.db2.gz SXCQVRSYANUTHW-UHFFFAOYSA-N 1 1 421.932 4.533 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000020813215 558416463 /nfs/dbraw/zinc/41/64/63/558416463.db2.gz BTAIDHHJILVUCI-UHFFFAOYSA-N 1 1 401.510 4.844 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000020813215 558416466 /nfs/dbraw/zinc/41/64/66/558416466.db2.gz BTAIDHHJILVUCI-UHFFFAOYSA-N 1 1 401.510 4.844 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1 ZINC000012457818 558417986 /nfs/dbraw/zinc/41/79/86/558417986.db2.gz DPVQROISIRWLKZ-IBGZPJMESA-N 1 1 404.476 4.732 50 0 HJAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccnc1 ZINC000012459030 558418609 /nfs/dbraw/zinc/41/86/09/558418609.db2.gz SEDBDRCVBHKUDO-QGZVFWFLSA-N 1 1 409.917 4.637 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(Cl)c1OC ZINC000012613058 558439101 /nfs/dbraw/zinc/43/91/01/558439101.db2.gz XSYFWWJHPHLXNN-JOCHJYFZSA-N 1 1 424.368 4.828 50 0 HJAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805381 558450470 /nfs/dbraw/zinc/45/04/70/558450470.db2.gz CLMHWLJISKMDTP-NRFANRHFSA-N 1 1 409.917 4.952 50 0 HJAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000021805400 558450649 /nfs/dbraw/zinc/45/06/49/558450649.db2.gz IKQCKYGIBSJIST-NRFANRHFSA-N 1 1 409.917 4.870 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)Nc1ccccc1F ZINC000012709131 558451345 /nfs/dbraw/zinc/45/13/45/558451345.db2.gz JQWTZCKSODGVGQ-MRXNPFEDSA-N 1 1 401.551 4.792 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)NCc1ccc(F)c(F)c1 ZINC000012714718 558454668 /nfs/dbraw/zinc/45/46/68/558454668.db2.gz PJMXLIAIKSWHCM-SFHVURJKSA-N 1 1 423.507 4.822 50 0 HJAAMO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)c1 ZINC000012715748 558455128 /nfs/dbraw/zinc/45/51/28/558455128.db2.gz PDDOJPSJGBQSLW-HXUWFJFHSA-N 1 1 413.537 4.561 50 0 HJAAMO COC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C ZINC000004375732 558476530 /nfs/dbraw/zinc/47/65/30/558476530.db2.gz PNELKRCGFUQFQS-YKSBVNFPSA-N 1 1 400.607 4.688 50 0 HJAAMO c1cncc(CN(Cc2cccc3nonc32)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012443371 558506784 /nfs/dbraw/zinc/50/67/84/558506784.db2.gz ZEEGFTAXBWFINP-OAQYLSRUSA-N 1 1 419.573 4.665 50 0 HJAAMO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022930203 558524057 /nfs/dbraw/zinc/52/40/57/558524057.db2.gz ONJLTHVMQITBMR-IBGZPJMESA-N 1 1 407.583 4.663 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CC=C(c2ccccc2)CC1 ZINC000014242889 558645306 /nfs/dbraw/zinc/64/53/06/558645306.db2.gz OPKPLRDKWVMRIL-OAQYLSRUSA-N 1 1 417.578 4.792 50 0 HJAAMO Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c1C ZINC000027664275 558679439 /nfs/dbraw/zinc/67/94/39/558679439.db2.gz LDBFEBSDTBEOLX-NRFANRHFSA-N 1 1 400.950 4.679 50 0 HJAAMO COc1ccc(Cl)cc1NC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000014959398 558683338 /nfs/dbraw/zinc/68/33/38/558683338.db2.gz IKKIYSDRBJQCRD-IBGZPJMESA-N 1 1 401.938 4.519 50 0 HJAAMO COCCCC1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000014960681 558683869 /nfs/dbraw/zinc/68/38/69/558683869.db2.gz YKAIAILFSZKLHR-UHFFFAOYSA-N 1 1 405.542 4.888 50 0 HJAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@](CO)(CCOc4ccccc4)C3)c2)n1 ZINC000014967401 558686321 /nfs/dbraw/zinc/68/63/21/558686321.db2.gz ZQNBEBNFQDSHHP-SANMLTNESA-N 1 1 419.569 4.533 50 0 HJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000014985415 558692815 /nfs/dbraw/zinc/69/28/15/558692815.db2.gz MLQZJCARJGZRNI-IBGZPJMESA-N 1 1 409.917 4.896 50 0 HJAAMO CCCC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H](CC)c1ccccc1 ZINC000072285247 558715458 /nfs/dbraw/zinc/71/54/58/558715458.db2.gz NCBDFFUXXOQBOY-FQEVSTJZSA-N 1 1 409.530 4.694 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(CSC)o1 ZINC000015078748 558717774 /nfs/dbraw/zinc/71/77/74/558717774.db2.gz QMIAAPDWLMNCGA-IBGZPJMESA-N 1 1 418.578 4.699 50 0 HJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1)c1cccc2ccccc21 ZINC000015078809 558717906 /nfs/dbraw/zinc/71/79/06/558717906.db2.gz IREXNJVAEBSEKX-JOCHJYFZSA-N 1 1 424.548 4.668 50 0 HJAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015300714 558731073 /nfs/dbraw/zinc/73/10/73/558731073.db2.gz JGJJYVOUVJCERA-XMMPIXPASA-N 1 1 404.510 4.654 50 0 HJAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015300714 558731076 /nfs/dbraw/zinc/73/10/76/558731076.db2.gz JGJJYVOUVJCERA-XMMPIXPASA-N 1 1 404.510 4.654 50 0 HJAAMO Cc1ccccc1C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)C1CC1 ZINC000035843660 558795389 /nfs/dbraw/zinc/79/53/89/558795389.db2.gz MEJKFQMAGRIVPM-QFIPXVFZSA-N 1 1 400.975 4.887 50 0 HJAAMO COc1ccccc1C[N@@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037357086 558804340 /nfs/dbraw/zinc/80/43/40/558804340.db2.gz XHJJDCRROARHHC-QGZVFWFLSA-N 1 1 424.932 4.642 50 0 HJAAMO COc1ccccc1C[N@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037357086 558804341 /nfs/dbraw/zinc/80/43/41/558804341.db2.gz XHJJDCRROARHHC-QGZVFWFLSA-N 1 1 424.932 4.642 50 0 HJAAMO COc1ccc(-n2cc(C[NH2+][C@@H](C)c3ccncn3)c(-c3ccccc3Cl)n2)cc1 ZINC000055061041 558871228 /nfs/dbraw/zinc/87/12/28/558871228.db2.gz NKUFAQWKZFXOJD-INIZCTEOSA-N 1 1 419.916 4.842 50 0 HJAAMO COc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000033140084 558891602 /nfs/dbraw/zinc/89/16/02/558891602.db2.gz PLAPIXIVDOEDCS-UHFFFAOYSA-N 1 1 403.482 4.864 50 0 HJAAMO COc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1OC ZINC000033140084 558891604 /nfs/dbraw/zinc/89/16/04/558891604.db2.gz PLAPIXIVDOEDCS-UHFFFAOYSA-N 1 1 403.482 4.864 50 0 HJAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000058267881 558915775 /nfs/dbraw/zinc/91/57/75/558915775.db2.gz RSEQMKHIQSRHQC-UHFFFAOYSA-N 1 1 424.585 4.564 50 0 HJAAMO COc1cc2cc(C[N@H+]3CCC[C@H](O)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072439306 558981407 /nfs/dbraw/zinc/98/14/07/558981407.db2.gz BLUKEXWNXAGHPM-IBGZPJMESA-N 1 1 412.917 4.529 50 0 HJAAMO COC[C@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000072480362 558984117 /nfs/dbraw/zinc/98/41/17/558984117.db2.gz JMAUTUHHXVGION-JOCHJYFZSA-N 1 1 401.510 4.955 50 0 HJAAMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268825 558993357 /nfs/dbraw/zinc/99/33/57/558993357.db2.gz COZNKUWCUVAEGL-UHFFFAOYSA-N 1 1 407.514 4.893 50 0 HJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318550 559055863 /nfs/dbraw/zinc/05/58/63/559055863.db2.gz PXNDOXOUHYSDRZ-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318550 559055864 /nfs/dbraw/zinc/05/58/64/559055864.db2.gz PXNDOXOUHYSDRZ-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000004776233 559059558 /nfs/dbraw/zinc/05/95/58/559059558.db2.gz HAZRINAWSLTYFD-PTUXOGIPSA-N 1 1 401.934 4.923 50 0 HJAAMO CCc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)on1 ZINC000095515158 559084422 /nfs/dbraw/zinc/08/44/22/559084422.db2.gz MSVQIWTWOAMOSE-LJQANCHMSA-N 1 1 403.526 4.546 50 0 HJAAMO COc1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1F ZINC000023325872 559153253 /nfs/dbraw/zinc/15/32/53/559153253.db2.gz HWCCQSZXDGFEEG-RUZDIDTESA-N 1 1 418.512 4.690 50 0 HJAAMO COc1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1F ZINC000023325868 559153492 /nfs/dbraw/zinc/15/34/92/559153492.db2.gz HWCCQSZXDGFEEG-VWLOTQADSA-N 1 1 418.512 4.690 50 0 HJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938505 559211509 /nfs/dbraw/zinc/21/15/09/559211509.db2.gz KBQSNNCVJNKFHP-CQSZACIVSA-N 1 1 401.963 4.955 50 0 HJAAMO O=C(C[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000226761147 559273956 /nfs/dbraw/zinc/27/39/56/559273956.db2.gz IWTRCLAAJCNBHS-FQEVSTJZSA-N 1 1 420.534 4.613 50 0 HJAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000005516536 560604505 /nfs/dbraw/zinc/60/45/05/560604505.db2.gz PWKDSKMQHOTDTE-FGZHOGPDSA-N 1 1 413.868 4.539 50 0 HJAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000018110433 560775941 /nfs/dbraw/zinc/77/59/41/560775941.db2.gz HZBQXAHAKZWROK-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)Cc2ccccc2)C1 ZINC000104982532 560858706 /nfs/dbraw/zinc/85/87/06/560858706.db2.gz HASFMCUKCQLYFI-LOSJGSFVSA-N 1 1 414.549 4.594 50 0 HJAAMO CC(C)(C)c1nn2c(nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc2=O)s1 ZINC000046032198 568424620 /nfs/dbraw/zinc/42/46/20/568424620.db2.gz OCEYXCXJZKGCPF-UHFFFAOYSA-N 1 1 418.566 4.651 50 0 HJAAMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032324 568424654 /nfs/dbraw/zinc/42/46/54/568424654.db2.gz FHPICUUYYNMIOY-UHFFFAOYSA-N 1 1 404.539 4.539 50 0 HJAAMO CCc1cccc2c(C(=O)[C@H](c3ccccc3)[NH+]3CCC(C(=O)OC)CC3)c[nH]c21 ZINC000049560889 568452041 /nfs/dbraw/zinc/45/20/41/568452041.db2.gz FPCXIQTYGUXJNB-QHCPKHFHSA-N 1 1 404.510 4.539 50 0 HJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH+]5CCC(C)CC5)C4=O)cc3)sc2c1 ZINC000000689527 568462231 /nfs/dbraw/zinc/46/22/31/568462231.db2.gz QWTJMGMRBVRYLJ-FQEVSTJZSA-N 1 1 419.550 4.636 50 0 HJAAMO COc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868284 568647120 /nfs/dbraw/zinc/64/71/20/568647120.db2.gz MDDIGKZIVUQBLA-BJKOFHAPSA-N 1 1 417.977 4.698 50 0 HJAAMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3nccc4ccsc43)CC2)cc1 ZINC000095891443 568657558 /nfs/dbraw/zinc/65/75/58/568657558.db2.gz KSTLDUWJKVUEQH-UHFFFAOYSA-N 1 1 409.555 4.574 50 0 in-vitro HJAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000095960022 568669804 /nfs/dbraw/zinc/66/98/04/568669804.db2.gz DQPBNQAYCKPZGS-LBEKAKSKSA-N 1 1 421.651 4.756 50 0 HJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000013778848 568719384 /nfs/dbraw/zinc/71/93/84/568719384.db2.gz ARYCMISIZKOYJP-MDNUFGMLSA-N 1 1 416.924 4.786 50 0 HJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000013778848 568719388 /nfs/dbraw/zinc/71/93/88/568719388.db2.gz ARYCMISIZKOYJP-MDNUFGMLSA-N 1 1 416.924 4.786 50 0 HJAAMO CCCC[N@@H+](CCNc1ncnc2onc(-c3ccc(C)cc3)c21)Cc1ccco1 ZINC000021650702 568729136 /nfs/dbraw/zinc/72/91/36/568729136.db2.gz HYWHREAXZNENHY-UHFFFAOYSA-N 1 1 405.502 4.900 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323648 568732702 /nfs/dbraw/zinc/73/27/02/568732702.db2.gz CKAXHCPVYPUNOS-OAHLLOKOSA-N 1 1 412.921 4.829 50 0 HJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460137 568768175 /nfs/dbraw/zinc/76/81/75/568768175.db2.gz LLYIUPRXVAQFCM-XMSQKQJNSA-N 1 1 413.631 4.543 50 0 HJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000230030339 568802871 /nfs/dbraw/zinc/80/28/71/568802871.db2.gz ARYCMISIZKOYJP-ACIOBRDBSA-N 1 1 416.924 4.786 50 0 HJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000230030339 568802874 /nfs/dbraw/zinc/80/28/74/568802874.db2.gz ARYCMISIZKOYJP-ACIOBRDBSA-N 1 1 416.924 4.786 50 0 HJAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000057338575 568827354 /nfs/dbraw/zinc/82/73/54/568827354.db2.gz CMIFWZKOCHNCTA-MRXNPFEDSA-N 1 1 423.463 4.815 50 0 HJAAMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000057405932 568832784 /nfs/dbraw/zinc/83/27/84/568832784.db2.gz ACBAQSNJBWUMHR-CABCVRRESA-N 1 1 422.356 4.508 50 0 HJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058434665 568918753 /nfs/dbraw/zinc/91/87/53/568918753.db2.gz ZDMCHGBQXPSEAK-RDPSFJRHSA-N 1 1 421.585 4.548 50 0 HJAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1ccco1 ZINC000012784418 568959321 /nfs/dbraw/zinc/95/93/21/568959321.db2.gz WLPNHMPFUSCNPG-QFIPXVFZSA-N 1 1 403.457 4.667 50 0 HJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000015669139 568960730 /nfs/dbraw/zinc/96/07/30/568960730.db2.gz VUQZYTNPYDGFHC-UHFFFAOYSA-N 1 1 407.905 4.905 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000008188081 568980711 /nfs/dbraw/zinc/98/07/11/568980711.db2.gz MJNUYNBAJBHWDK-AZGAKELHSA-N 1 1 405.538 4.603 50 0 HJAAMO C[C@@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447712 568985729 /nfs/dbraw/zinc/98/57/29/568985729.db2.gz PTNQJRSQSNRCRH-CQSZACIVSA-N 1 1 423.314 4.643 50 0 HJAAMO CCc1cc([C@@H](c2ccsc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546484 569000169 /nfs/dbraw/zinc/00/01/69/569000169.db2.gz DEAUITIDXKOLIH-LJQANCHMSA-N 1 1 415.584 4.554 50 0 HJAAMO C[N@@H+](CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)C1CCCCC1 ZINC000035559925 569044868 /nfs/dbraw/zinc/04/48/68/569044868.db2.gz SVUXSXUNWHWZNI-UHFFFAOYSA-N 1 1 424.976 4.732 50 0 HJAAMO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054105765 569057475 /nfs/dbraw/zinc/05/74/75/569057475.db2.gz MTGCLPBPVVKTLK-UHFFFAOYSA-N 1 1 405.567 4.939 50 0 HJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000006553604 569065568 /nfs/dbraw/zinc/06/55/68/569065568.db2.gz LMYFQRRRRFSPOB-HXUWFJFHSA-N 1 1 405.567 4.670 50 0 HJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N[C@H]1CCCc2ccccc21 ZINC000006553603 569065599 /nfs/dbraw/zinc/06/55/99/569065599.db2.gz LMYFQRRRRFSPOB-FQEVSTJZSA-N 1 1 405.567 4.670 50 0 HJAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064801458 569097200 /nfs/dbraw/zinc/09/72/00/569097200.db2.gz HDZGOBWCXMXULT-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000006762593 569114308 /nfs/dbraw/zinc/11/43/08/569114308.db2.gz VYBVVRPWZVFLOF-FQEVSTJZSA-N 1 1 411.502 4.768 50 0 HJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036301611 569128056 /nfs/dbraw/zinc/12/80/56/569128056.db2.gz NESBCFRJBHNBBF-JOCHJYFZSA-N 1 1 423.557 4.581 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306778 569129374 /nfs/dbraw/zinc/12/93/74/569129374.db2.gz GMXFOFJFKOXHSR-LJQANCHMSA-N 1 1 411.521 5.000 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036305493 569129487 /nfs/dbraw/zinc/12/94/87/569129487.db2.gz QCNJWGCJICWAPZ-FQEVSTJZSA-N 1 1 421.541 4.623 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036341534 569141967 /nfs/dbraw/zinc/14/19/67/569141967.db2.gz NGSWUFFQQZWTEC-XMMPIXPASA-N 1 1 423.532 4.777 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036346431 569143500 /nfs/dbraw/zinc/14/35/00/569143500.db2.gz FCOMGSJGIKTONW-QGZVFWFLSA-N 1 1 409.505 4.705 50 0 HJAAMO CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877427 569164180 /nfs/dbraw/zinc/16/41/80/569164180.db2.gz NKURUZASQSLFPS-LJQANCHMSA-N 1 1 424.570 4.808 50 0 HJAAMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1cccs1)n1cccc1 ZINC000170608045 569245205 /nfs/dbraw/zinc/24/52/05/569245205.db2.gz SJTIFQJXXHCDHT-PKTZIBPZSA-N 1 1 421.610 4.900 50 0 HJAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C)cc4)c3NC3CCCCC3)s2)CC1 ZINC000013347065 569410762 /nfs/dbraw/zinc/41/07/62/569410762.db2.gz CCXCLAHSNAJNQA-UHFFFAOYSA-N 1 1 424.618 4.653 50 0 HJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709598 571104834 /nfs/dbraw/zinc/10/48/34/571104834.db2.gz AIWFZJWTBLAVSI-HTAPYJJXSA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709598 571104836 /nfs/dbraw/zinc/10/48/36/571104836.db2.gz AIWFZJWTBLAVSI-HTAPYJJXSA-N 1 1 402.494 4.775 50 0 HJAAMO O=C(c1cc(Br)ccc1Cl)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040089157 571159148 /nfs/dbraw/zinc/15/91/48/571159148.db2.gz PJOWHIKNSMFVKV-UHFFFAOYSA-N 1 1 413.768 4.512 50 0 HJAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000040108841 571168285 /nfs/dbraw/zinc/16/82/85/571168285.db2.gz PLJMGEPXBZWMGI-HNNXBMFYSA-N 1 1 421.994 4.536 50 0 HJAAMO OC[C@@H]1CCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000003434604 132266059 /nfs/dbraw/zinc/26/60/59/132266059.db2.gz AYVQQYDDBWZNFC-GOSISDBHSA-N 1 1 422.598 4.553 50 0 HJAAMO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1OCc1ccccc1 ZINC000004980970 132297595 /nfs/dbraw/zinc/29/75/95/132297595.db2.gz WSNGMCJYSLUZDS-UHFFFAOYSA-N 1 1 406.501 4.736 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)cc2cccnc21 ZINC000032825180 520367885 /nfs/dbraw/zinc/36/78/85/520367885.db2.gz LXLFASABXRZFBX-UHFFFAOYSA-N 1 1 405.395 4.853 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)cc2cccnc21 ZINC000032825180 520367891 /nfs/dbraw/zinc/36/78/91/520367891.db2.gz LXLFASABXRZFBX-UHFFFAOYSA-N 1 1 405.395 4.853 50 0 HJAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(CSc2ccccc2)o1)[NH+](C)C ZINC000032695545 524794099 /nfs/dbraw/zinc/79/40/99/524794099.db2.gz SSFLYQREBULKMS-FQEVSTJZSA-N 1 1 410.539 4.613 50 0 HJAAMO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004408514 557552525 /nfs/dbraw/zinc/55/25/25/557552525.db2.gz YDMBWNRPBDOEPC-JOCHJYFZSA-N 1 1 404.526 4.841 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004408514 557552528 /nfs/dbraw/zinc/55/25/28/557552528.db2.gz YDMBWNRPBDOEPC-JOCHJYFZSA-N 1 1 404.526 4.841 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)c(C)c1 ZINC000011661028 558265085 /nfs/dbraw/zinc/26/50/85/558265085.db2.gz YYYBCMUDBKIIQW-SFHVURJKSA-N 1 1 414.521 4.782 50 0 HJAAMO CCN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664353 558267862 /nfs/dbraw/zinc/26/78/62/558267862.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 1 1 412.528 4.618 50 0 HJAAMO CCN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011664353 558267864 /nfs/dbraw/zinc/26/78/64/558267864.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 1 1 412.528 4.618 50 0 HJAAMO CCN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664353 558267866 /nfs/dbraw/zinc/26/78/66/558267866.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 1 1 412.528 4.618 50 0 HJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011821697 558284845 /nfs/dbraw/zinc/28/48/45/558284845.db2.gz UMDWUBFPGJPKCT-OAQYLSRUSA-N 1 1 401.510 4.767 50 0 HJAAMO O=C(NCCSCc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019800353 558285266 /nfs/dbraw/zinc/28/52/66/558285266.db2.gz LLJRWEPLWXGDEW-UHFFFAOYSA-N 1 1 416.590 4.908 50 0 HJAAMO Cc1ccc(C[NH+]2CCC(CN(C)Cc3sc(N4CCCC4)nc3Cl)CC2)o1 ZINC000011842998 558287967 /nfs/dbraw/zinc/28/79/67/558287967.db2.gz ALJQALRSKDUSKX-UHFFFAOYSA-N 1 1 423.026 4.642 50 0 HJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)Cc4ccccc4)CC3)ccc21 ZINC000019831968 558291898 /nfs/dbraw/zinc/29/18/98/558291898.db2.gz MRPBTZVJFDGYCB-UHFFFAOYSA-N 1 1 411.549 4.701 50 0 HJAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011879487 558294045 /nfs/dbraw/zinc/29/40/45/558294045.db2.gz NXAOVKGAUNRCPI-GOSISDBHSA-N 1 1 421.472 4.512 50 0 HJAAMO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000019939175 558313225 /nfs/dbraw/zinc/31/32/25/558313225.db2.gz IFZKVZLZADETFW-QFIPXVFZSA-N 1 1 421.482 4.631 50 0 HJAAMO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000019939175 558313226 /nfs/dbraw/zinc/31/32/26/558313226.db2.gz IFZKVZLZADETFW-QFIPXVFZSA-N 1 1 421.482 4.631 50 0 HJAAMO O=C(CCCOc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020272604 558353050 /nfs/dbraw/zinc/35/30/50/558353050.db2.gz AHHAIGPXRJMSJL-UHFFFAOYSA-N 1 1 414.549 4.779 50 0 HJAAMO CC(C)[N@@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020332530 558355803 /nfs/dbraw/zinc/35/58/03/558355803.db2.gz VJVIQXIKWAKRCY-UHFFFAOYSA-N 1 1 415.522 4.631 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020332530 558355806 /nfs/dbraw/zinc/35/58/06/558355806.db2.gz VJVIQXIKWAKRCY-UHFFFAOYSA-N 1 1 415.522 4.631 50 0 HJAAMO Cc1ccc(O)c([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000020418649 558361560 /nfs/dbraw/zinc/36/15/60/558361560.db2.gz FAJSMGMEFLGRSC-DEOSSOPVSA-N 1 1 414.549 4.567 50 0 HJAAMO CN1CCC([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000020453004 558367193 /nfs/dbraw/zinc/36/71/93/558367193.db2.gz YMQFTDKESWDUGM-UHFFFAOYSA-N 1 1 414.553 4.871 50 0 HJAAMO CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000020453004 558367196 /nfs/dbraw/zinc/36/71/96/558367196.db2.gz YMQFTDKESWDUGM-UHFFFAOYSA-N 1 1 414.553 4.871 50 0 HJAAMO Cc1ncsc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000020454800 558368581 /nfs/dbraw/zinc/36/85/81/558368581.db2.gz HYMMYNIPDQHAGN-HXUWFJFHSA-N 1 1 412.603 4.534 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)cc1Cl ZINC000012303352 558372829 /nfs/dbraw/zinc/37/28/29/558372829.db2.gz KOWPFFHQVSGCHN-KRWDZBQOSA-N 1 1 401.938 4.683 50 0 HJAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000012317905 558380997 /nfs/dbraw/zinc/38/09/97/558380997.db2.gz YKOKHINEZYKUNZ-SFHVURJKSA-N 1 1 417.956 4.567 50 0 HJAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000012317905 558381000 /nfs/dbraw/zinc/38/10/00/558381000.db2.gz YKOKHINEZYKUNZ-SFHVURJKSA-N 1 1 417.956 4.567 50 0 HJAAMO O=C(Nc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000020664727 558398094 /nfs/dbraw/zinc/39/80/94/558398094.db2.gz DKXYHGGFZWIXTJ-UHFFFAOYSA-N 1 1 403.526 4.596 50 0 HJAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CCc1ccccc1)N1CCCC1 ZINC000020776888 558412151 /nfs/dbraw/zinc/41/21/51/558412151.db2.gz CJMXQGBFPYSJGI-JOCHJYFZSA-N 1 1 416.569 4.558 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(C)c(C)c3)C2)c(OC)c1 ZINC000012577294 558431336 /nfs/dbraw/zinc/43/13/36/558431336.db2.gz CRZWWAYFCAEHAE-NRFANRHFSA-N 1 1 424.585 4.629 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(C)c(C)c3)C2)c(OC)c1 ZINC000012577299 558431345 /nfs/dbraw/zinc/43/13/45/558431345.db2.gz CRZWWAYFCAEHAE-OAQYLSRUSA-N 1 1 424.585 4.629 50 0 HJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012701920 558448099 /nfs/dbraw/zinc/44/80/99/558448099.db2.gz PKDDRLZCOLLKBR-LJQANCHMSA-N 1 1 401.938 4.670 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c(F)c1 ZINC000012758633 558460697 /nfs/dbraw/zinc/46/06/97/558460697.db2.gz BLLRYKVQKFYDPO-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c(F)c1 ZINC000012758633 558460699 /nfs/dbraw/zinc/46/06/99/558460699.db2.gz BLLRYKVQKFYDPO-HXUWFJFHSA-N 1 1 410.489 4.979 50 0 HJAAMO O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012807166 558474160 /nfs/dbraw/zinc/47/41/60/558474160.db2.gz FYKZCIILUHSYDV-LEWJYISDSA-N 1 1 417.578 4.691 50 0 HJAAMO COc1ccccc1[C@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+]1CCCC1 ZINC000022609234 558501020 /nfs/dbraw/zinc/50/10/20/558501020.db2.gz MHDYNMVFVXDCKF-FQEVSTJZSA-N 1 1 421.566 4.694 50 0 HJAAMO COc1cc(Cl)ccc1OCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013692250 558573790 /nfs/dbraw/zinc/57/37/90/558573790.db2.gz XFCQJMSSCJLBTK-UHFFFAOYSA-N 1 1 417.962 4.549 50 0 HJAAMO CC(C)C[N@H+]1CCc2c(cc(-c3cccc(Cl)c3)c(=O)n2Cc2cccnc2)C1 ZINC000014753644 558671608 /nfs/dbraw/zinc/67/16/08/558671608.db2.gz LLMHPZRTPMXJPL-UHFFFAOYSA-N 1 1 407.945 4.626 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1)Nc1ccccc1F ZINC000014957397 558682952 /nfs/dbraw/zinc/68/29/52/558682952.db2.gz PWEFSZAOPHHTHV-HNNXBMFYSA-N 1 1 418.896 4.839 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)o1 ZINC000014967259 558686360 /nfs/dbraw/zinc/68/63/60/558686360.db2.gz YOLGJWCZECOAGD-FQEVSTJZSA-N 1 1 418.537 4.735 50 0 HJAAMO COC[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000014981446 558691915 /nfs/dbraw/zinc/69/19/15/558691915.db2.gz JRLGAPDENYJNGM-FQEVSTJZSA-N 1 1 401.510 4.813 50 0 HJAAMO Cc1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061777 558704732 /nfs/dbraw/zinc/70/47/32/558704732.db2.gz AYHOYFXBPZQWHL-GOSISDBHSA-N 1 1 411.537 4.857 50 0 HJAAMO Cc1ncc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061775 558704826 /nfs/dbraw/zinc/70/48/26/558704826.db2.gz AYHOYFXBPZQWHL-SFHVURJKSA-N 1 1 411.537 4.857 50 0 HJAAMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955234 558746946 /nfs/dbraw/zinc/74/69/46/558746946.db2.gz RRMVTHWNZLYDEH-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn32)o1 ZINC000015780392 558753578 /nfs/dbraw/zinc/75/35/78/558753578.db2.gz MVVWSZIXMPCJFP-QGZVFWFLSA-N 1 1 420.517 4.662 50 0 HJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860513 558758440 /nfs/dbraw/zinc/75/84/40/558758440.db2.gz ABGFJFYDAKYUPO-FQEVSTJZSA-N 1 1 422.525 4.514 50 0 HJAAMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087235 558760619 /nfs/dbraw/zinc/76/06/19/558760619.db2.gz WAISYARQUKKWBM-FQEVSTJZSA-N 1 1 416.949 4.720 50 0 HJAAMO Cc1c([C@@H](C)[NH2+]Cc2sc(N3CCCC3)nc2Cl)cnn1-c1cccc(F)c1 ZINC000019227748 558852755 /nfs/dbraw/zinc/85/27/55/558852755.db2.gz HSLXHXWVYSVJSC-CYBMUJFWSA-N 1 1 419.957 4.881 50 0 HJAAMO Cc1cccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385835 558880853 /nfs/dbraw/zinc/88/08/53/558880853.db2.gz GAZSZYRSNSFEFV-GOSISDBHSA-N 1 1 401.489 4.970 50 0 HJAAMO Cc1cccc(-n2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385835 558880855 /nfs/dbraw/zinc/88/08/55/558880855.db2.gz GAZSZYRSNSFEFV-GOSISDBHSA-N 1 1 401.489 4.970 50 0 HJAAMO O=C(CCCNc1cc[nH+]c2cc(Cl)ccc12)NCCc1cccc2cccnc21 ZINC000058061787 558897295 /nfs/dbraw/zinc/89/72/95/558897295.db2.gz ZDWJKMKACFQSHW-UHFFFAOYSA-N 1 1 418.928 4.987 50 0 HJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000058176685 558909598 /nfs/dbraw/zinc/90/95/98/558909598.db2.gz LEOGSTGNLLVCQO-HSZRJFAPSA-N 1 1 409.530 4.805 50 0 HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000033059981 558954196 /nfs/dbraw/zinc/95/41/96/558954196.db2.gz GORIBQXUWYOWPO-INIZCTEOSA-N 1 1 410.587 4.556 50 0 HJAAMO Cc1ccc(NC(=S)NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682526 558957089 /nfs/dbraw/zinc/95/70/89/558957089.db2.gz XMOKZRPDLXBTHS-UHFFFAOYSA-N 1 1 414.578 4.584 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800859 558966111 /nfs/dbraw/zinc/96/61/11/558966111.db2.gz XIUTVXAMKZSRBK-UHFFFAOYSA-N 1 1 409.440 4.659 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033069028 558982623 /nfs/dbraw/zinc/98/26/23/558982623.db2.gz ATOZXVSIWQPHLZ-UHFFFAOYSA-N 1 1 419.550 4.666 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033069028 558982625 /nfs/dbraw/zinc/98/26/25/558982625.db2.gz ATOZXVSIWQPHLZ-UHFFFAOYSA-N 1 1 419.550 4.666 50 0 HJAAMO [O-]c1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833447 558993537 /nfs/dbraw/zinc/99/35/37/558993537.db2.gz JNJOCXNHJNCIRH-NRFANRHFSA-N 1 1 406.998 4.681 50 0 HJAAMO [O-]c1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833447 558993538 /nfs/dbraw/zinc/99/35/38/558993538.db2.gz JNJOCXNHJNCIRH-NRFANRHFSA-N 1 1 406.998 4.681 50 0 HJAAMO C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023181138 559031229 /nfs/dbraw/zinc/03/12/29/559031229.db2.gz NWQBJFCBIOHNOZ-CVDCTZTESA-N 1 1 411.615 4.696 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023320708 559125923 /nfs/dbraw/zinc/12/59/23/559125923.db2.gz HUOWWGLXSGGTQP-XMMPIXPASA-N 1 1 406.476 4.821 50 0 HJAAMO COc1ccc2cc3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)sc3nc2c1 ZINC000004886372 559196981 /nfs/dbraw/zinc/19/69/81/559196981.db2.gz YTAQMTWMXFXQQF-IYBDPMFKSA-N 1 1 411.571 4.556 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939370 559211773 /nfs/dbraw/zinc/21/17/73/559211773.db2.gz RWFPGRFMTJDEPV-INIZCTEOSA-N 1 1 412.555 4.701 50 0 HJAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000005053755 559238969 /nfs/dbraw/zinc/23/89/69/559238969.db2.gz MCZWQRPBPUICEI-XZOQPEGZSA-N 1 1 414.415 4.769 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)C1 ZINC000005132350 559249518 /nfs/dbraw/zinc/24/95/18/559249518.db2.gz BOTWRIPCHUAZIU-CALCHBBNSA-N 1 1 423.582 4.501 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@@H]2C)c1 ZINC000248121607 559263788 /nfs/dbraw/zinc/26/37/88/559263788.db2.gz SAOYGWVUOAMNQH-YLCVQVIBSA-N 1 1 422.613 4.820 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000102747596 560824249 /nfs/dbraw/zinc/82/42/49/560824249.db2.gz QMRMWHQBABTUIB-RCXJIHSJSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000102747596 560824250 /nfs/dbraw/zinc/82/42/50/560824250.db2.gz QMRMWHQBABTUIB-RCXJIHSJSA-N 1 1 422.569 4.619 50 0 HJAAMO CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@H](C)CC)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000106605982 560892768 /nfs/dbraw/zinc/89/27/68/560892768.db2.gz SXAJTODNDLRFHB-CTUHWIOQSA-N 1 1 408.586 4.778 50 0 HJAAMO CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032222 568424601 /nfs/dbraw/zinc/42/46/01/568424601.db2.gz LGABHCOOTPPYHX-UHFFFAOYSA-N 1 1 422.529 4.615 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)[C@H]2CCc3ccccc32)cc1 ZINC000048311528 568436969 /nfs/dbraw/zinc/43/69/69/568436969.db2.gz UKKLNCCHCNVFKU-QFIPXVFZSA-N 1 1 401.535 4.754 50 0 HJAAMO Cc1cn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000033268814 568512364 /nfs/dbraw/zinc/51/23/64/568512364.db2.gz HUFAPTRFJUHELF-UHFFFAOYSA-N 1 1 409.942 4.920 50 0 HJAAMO Cc1cn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000033268814 568512365 /nfs/dbraw/zinc/51/23/65/568512365.db2.gz HUFAPTRFJUHELF-UHFFFAOYSA-N 1 1 409.942 4.920 50 0 HJAAMO Cc1cccc2cc(CNCc3ccccc3Cl)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000014980618 568581206 /nfs/dbraw/zinc/58/12/06/568581206.db2.gz ZMNHRHMLUYZADW-JOCHJYFZSA-N 1 1 420.988 4.771 50 0 HJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288449 568597496 /nfs/dbraw/zinc/59/74/96/568597496.db2.gz IKRAOXRPOHZFJZ-WZONZLPQSA-N 1 1 423.557 4.569 50 0 HJAAMO C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288464 568597963 /nfs/dbraw/zinc/59/79/63/568597963.db2.gz IYGIPWWXXZHXFW-JPYJTQIMSA-N 1 1 423.557 4.569 50 0 HJAAMO CCCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447086 568608459 /nfs/dbraw/zinc/60/84/59/568608459.db2.gz BTGJJKUUMGGZNO-GOTSBHOMSA-N 1 1 405.941 4.973 50 0 HJAAMO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c(Cl)c1 ZINC000020927171 568651614 /nfs/dbraw/zinc/65/16/14/568651614.db2.gz KDUCGMVCGVDCJO-UHFFFAOYSA-N 1 1 414.962 4.810 50 0 HJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2c1ccccc1 ZINC000021045686 568660119 /nfs/dbraw/zinc/66/01/19/568660119.db2.gz DETRMWPROHWHHD-DEOSSOPVSA-N 1 1 404.579 4.883 50 0 HJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2c1ccccc1 ZINC000021045686 568660122 /nfs/dbraw/zinc/66/01/22/568660122.db2.gz DETRMWPROHWHHD-DEOSSOPVSA-N 1 1 404.579 4.883 50 0 HJAAMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cc1Cl ZINC000095941373 568662076 /nfs/dbraw/zinc/66/20/76/568662076.db2.gz OXXBEBBLTYZMHE-AWEZNQCLSA-N 1 1 400.910 4.569 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096182532 568702624 /nfs/dbraw/zinc/70/26/24/568702624.db2.gz DYLDLSPCMNBMAC-RUZDIDTESA-N 1 1 402.513 4.990 50 0 HJAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(Cl)cc3Cl)c(C[NH+]3CCOCC3)c2s1 ZINC000096363835 568739640 /nfs/dbraw/zinc/73/96/40/568739640.db2.gz MYZOVNSWAGWCHL-UHFFFAOYSA-N 1 1 424.353 4.929 50 0 HJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)[nH+]1 ZINC000021794328 568753395 /nfs/dbraw/zinc/75/33/95/568753395.db2.gz RKEDOCUVCWRBJI-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794328 568753396 /nfs/dbraw/zinc/75/33/96/568753396.db2.gz RKEDOCUVCWRBJI-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 ZINC000057383368 568830969 /nfs/dbraw/zinc/83/09/69/568830969.db2.gz HDCHLKUTNWZZKL-SANMLTNESA-N 1 1 415.537 4.613 50 0 HJAAMO Oc1ccccc1N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 ZINC000057386108 568831163 /nfs/dbraw/zinc/83/11/63/568831163.db2.gz LUKZQAKHNXMBHC-UHFFFAOYSA-N 1 1 404.297 4.676 50 0 HJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 ZINC000057435572 568836645 /nfs/dbraw/zinc/83/66/45/568836645.db2.gz XICAEPLVEOYKCK-XMMPIXPASA-N 1 1 419.550 4.501 50 0 HJAAMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000012586825 568866983 /nfs/dbraw/zinc/86/69/83/568866983.db2.gz PQDMXLBTFFKBEO-UHFFFAOYSA-N 1 1 408.523 4.662 50 0 HJAAMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000012586825 568866985 /nfs/dbraw/zinc/86/69/85/568866985.db2.gz PQDMXLBTFFKBEO-UHFFFAOYSA-N 1 1 408.523 4.662 50 0 HJAAMO CSCC[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000003412942 568898449 /nfs/dbraw/zinc/89/84/49/568898449.db2.gz CXOPCKHXCXIOAS-INIZCTEOSA-N 1 1 423.369 4.892 50 0 HJAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003432207 568902036 /nfs/dbraw/zinc/90/20/36/568902036.db2.gz FJWJSBXGPMLTHQ-UHFFFAOYSA-N 1 1 400.828 4.746 50 0 HJAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003432207 568902039 /nfs/dbraw/zinc/90/20/39/568902039.db2.gz FJWJSBXGPMLTHQ-UHFFFAOYSA-N 1 1 400.828 4.746 50 0 HJAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2Br)C2CCC(O)CC2)c1 ZINC000083973420 568929175 /nfs/dbraw/zinc/92/91/75/568929175.db2.gz BKPFPMFUQVXGPJ-UHFFFAOYSA-N 1 1 422.338 4.903 50 0 HJAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2Br)C2CCC(O)CC2)c1 ZINC000083973420 568929176 /nfs/dbraw/zinc/92/91/76/568929176.db2.gz BKPFPMFUQVXGPJ-UHFFFAOYSA-N 1 1 422.338 4.903 50 0 HJAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](Cc4ccco4)C[C@H]4CCCO4)[C@H]3C=C12 ZINC000004085627 568940397 /nfs/dbraw/zinc/94/03/97/568940397.db2.gz YSZZLAPSDPZFFH-JWWWDENJSA-N 1 1 413.558 4.575 50 0 biogenic HJAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753075 568941768 /nfs/dbraw/zinc/94/17/68/568941768.db2.gz AVFTVBCYKFWION-FQEVSTJZSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753075 568941770 /nfs/dbraw/zinc/94/17/70/568941770.db2.gz AVFTVBCYKFWION-FQEVSTJZSA-N 1 1 410.489 4.979 50 0 HJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H](C)COC)cc1 ZINC000001447757 568985763 /nfs/dbraw/zinc/98/57/63/568985763.db2.gz HJCSKPBOUVUPRL-QGZVFWFLSA-N 1 1 402.498 4.933 50 0 HJAAMO Cc1cccc(C[N@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@H](C)O)c1 ZINC000104999512 569009741 /nfs/dbraw/zinc/00/97/41/569009741.db2.gz IHTJUWVEAJBKDG-FQEVSTJZSA-N 1 1 407.558 4.878 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226213 569055167 /nfs/dbraw/zinc/05/51/67/569055167.db2.gz KTVXTLHHFMATLT-NQHRYMMQSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226213 569055168 /nfs/dbraw/zinc/05/51/68/569055168.db2.gz KTVXTLHHFMATLT-NQHRYMMQSA-N 1 1 410.533 4.749 50 0 HJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OCc1ccccc1 ZINC000004987549 569060865 /nfs/dbraw/zinc/06/08/65/569060865.db2.gz CRSRDVYYIHVUEX-UHFFFAOYSA-N 1 1 419.521 4.850 50 0 biogenic HJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OCc1ccccc1 ZINC000004987549 569060866 /nfs/dbraw/zinc/06/08/66/569060866.db2.gz CRSRDVYYIHVUEX-UHFFFAOYSA-N 1 1 419.521 4.850 50 0 biogenic HJAAMO CC[C@@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695779 569091671 /nfs/dbraw/zinc/09/16/71/569091671.db2.gz XNHQQQZADZZEOR-RCZVLFRGSA-N 1 1 424.585 4.662 50 0 HJAAMO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307332 569129323 /nfs/dbraw/zinc/12/93/23/569129323.db2.gz XABPVIXIJQLCIA-QGZVFWFLSA-N 1 1 409.505 4.611 50 0 HJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806262 569130988 /nfs/dbraw/zinc/13/09/88/569130988.db2.gz HGWXXIZNTGIZDG-HDICACEKSA-N 1 1 414.619 4.669 50 0 HJAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345511 569143172 /nfs/dbraw/zinc/14/31/72/569143172.db2.gz MHSZOEQBTQFJKF-DEOSSOPVSA-N 1 1 407.533 4.852 50 0 HJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000006843183 569152611 /nfs/dbraw/zinc/15/26/11/569152611.db2.gz YTJUCPCUHACBPQ-IBGZPJMESA-N 1 1 413.930 4.894 50 0 HJAAMO c1ccc(CC2CC[NH+](Cc3nc(-c4ccc(N5CCCCC5)nc4)no3)CC2)cc1 ZINC000065215935 569197641 /nfs/dbraw/zinc/19/76/41/569197641.db2.gz VFIVTRPDKGINAT-UHFFFAOYSA-N 1 1 417.557 4.577 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360551 569235161 /nfs/dbraw/zinc/23/51/61/569235161.db2.gz OUENHVVCMMFICM-GOSISDBHSA-N 1 1 420.582 4.715 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360551 569235163 /nfs/dbraw/zinc/23/51/63/569235163.db2.gz OUENHVVCMMFICM-GOSISDBHSA-N 1 1 420.582 4.715 50 0 HJAAMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@H+]2C1 ZINC000252441285 569285739 /nfs/dbraw/zinc/28/57/39/569285739.db2.gz NEMWYOKGHGSVSC-MBISDBLJSA-N 1 1 415.662 4.563 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007791181 569311008 /nfs/dbraw/zinc/31/10/08/569311008.db2.gz ADUSWNGTBAHMFF-UHFFFAOYSA-N 1 1 404.558 4.857 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000007791181 569311010 /nfs/dbraw/zinc/31/10/10/569311010.db2.gz ADUSWNGTBAHMFF-UHFFFAOYSA-N 1 1 404.558 4.857 50 0 HJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002250172 569324638 /nfs/dbraw/zinc/32/46/38/569324638.db2.gz IRJGTLBCRVKZEP-DQEYMECFSA-N 1 1 422.488 4.808 50 0 HJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000002424713 569398395 /nfs/dbraw/zinc/39/83/95/569398395.db2.gz ARYCMISIZKOYJP-YMPZKCBVSA-N 1 1 416.924 4.786 50 0 HJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000002424713 569398396 /nfs/dbraw/zinc/39/83/96/569398396.db2.gz ARYCMISIZKOYJP-YMPZKCBVSA-N 1 1 416.924 4.786 50 0 HJAAMO COc1ccc(C[NH2+][C@@H](CCSC)c2nc3ccccc3[nH]2)cc1Br ZINC000078739000 569420191 /nfs/dbraw/zinc/42/01/91/569420191.db2.gz LHPSTCUGMLEJCY-KRWDZBQOSA-N 1 1 420.376 4.918 50 0 HJAAMO CCCCCCc1cc2c(cc1OC(=O)[C@@H](C)[NH3+])occ(-c1nc(C)cs1)c2=O ZINC000019791596 569429833 /nfs/dbraw/zinc/42/98/33/569429833.db2.gz YUXBQSBMYGULLQ-CQSZACIVSA-N 1 1 414.527 4.600 50 0 HJAAMO FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000040040769 571142756 /nfs/dbraw/zinc/14/27/56/571142756.db2.gz LPTZVIXRQQWAIM-UHFFFAOYSA-N 1 1 417.431 4.937 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(c2ccccc2O)CC1)C1CCCCC1 ZINC000040103373 571163948 /nfs/dbraw/zinc/16/39/48/571163948.db2.gz RWUISEJLSJXDKY-UHFFFAOYSA-N 1 1 422.573 4.511 50 0 HJAAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)C1CC1 ZINC000040155733 571203004 /nfs/dbraw/zinc/20/30/04/571203004.db2.gz SHUCLUKNTYWAJZ-HOTGVXAUSA-N 1 1 411.933 4.629 50 0 HJAAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)C1CC1 ZINC000040155733 571203008 /nfs/dbraw/zinc/20/30/08/571203008.db2.gz SHUCLUKNTYWAJZ-HOTGVXAUSA-N 1 1 411.933 4.629 50 0 HJAAMO CCc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000009250757 571242148 /nfs/dbraw/zinc/24/21/48/571242148.db2.gz XNSBJXRQWVZUOP-JOCHJYFZSA-N 1 1 400.950 4.625 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009257564 571243767 /nfs/dbraw/zinc/24/37/67/571243767.db2.gz QCYMXAZNUBDLQX-FQEVSTJZSA-N 1 1 423.513 4.915 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009257564 571243768 /nfs/dbraw/zinc/24/37/68/571243768.db2.gz QCYMXAZNUBDLQX-FQEVSTJZSA-N 1 1 423.513 4.915 50 0 HJAAMO Cc1cc(Br)c(NC(=O)C[N@H+](C)C2CCCCC2)c(Br)c1 ZINC000009453446 571260141 /nfs/dbraw/zinc/26/01/41/571260141.db2.gz LCXNZCXACHZBNT-UHFFFAOYSA-N 1 1 418.173 4.723 50 0 HJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000001447634 132246343 /nfs/dbraw/zinc/24/63/43/132246343.db2.gz MGBCTJNNPXMSMB-QZTJIDSGSA-N 1 1 414.509 4.710 50 0 HJAAMO OC[C@H]1CCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000003434608 132266081 /nfs/dbraw/zinc/26/60/81/132266081.db2.gz AYVQQYDDBWZNFC-SFHVURJKSA-N 1 1 422.598 4.553 50 0 HJAAMO C[C@@H](NC(=O)c1ccc(N2CCC([N@@H+](C)Cc3ccco3)CC2)cc1)c1ccccc1 ZINC000012245242 132357825 /nfs/dbraw/zinc/35/78/25/132357825.db2.gz IBQFOTOMKPFLDQ-HXUWFJFHSA-N 1 1 417.553 4.871 50 0 HJAAMO O=C(CCc1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012770517 132366921 /nfs/dbraw/zinc/36/69/21/132366921.db2.gz BAYXTXPOEVXXPW-UHFFFAOYSA-N 1 1 414.336 4.823 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)c1cccc(OC)c1 ZINC000032927262 520358350 /nfs/dbraw/zinc/35/83/50/520358350.db2.gz MRGNOKYUCXZIRA-HNNXBMFYSA-N 1 1 405.336 4.788 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)c1cccc(OC)c1 ZINC000032927262 520358359 /nfs/dbraw/zinc/35/83/59/520358359.db2.gz MRGNOKYUCXZIRA-HNNXBMFYSA-N 1 1 405.336 4.788 50 0 HJAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)C1 ZINC000032951984 524086895 /nfs/dbraw/zinc/08/68/95/524086895.db2.gz PJMVQSZBNGBYQS-FQEVSTJZSA-N 1 1 418.647 4.867 50 0 HJAAMO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000004820882 536422406 /nfs/dbraw/zinc/42/24/06/536422406.db2.gz ZPJJMZKCVAWRCD-UHFFFAOYSA-N 1 1 422.356 4.541 50 0 HJAAMO COc1ccc2ccccc2c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000007389889 537041527 /nfs/dbraw/zinc/04/15/27/537041527.db2.gz NCMAUMDHLQCCFS-UHFFFAOYSA-N 1 1 409.917 4.506 50 0 HJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)CC2)cc1 ZINC000034668284 557361936 /nfs/dbraw/zinc/36/19/36/557361936.db2.gz DJAJKKCQFZRQJI-QFIPXVFZSA-N 1 1 413.565 4.808 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000002917766 557426889 /nfs/dbraw/zinc/42/68/89/557426889.db2.gz ZQDRDNIZJXQOGO-DNQXCXABSA-N 1 1 410.452 4.938 50 0 HJAAMO CC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1c1ccc(F)cc1 ZINC000034740682 557444363 /nfs/dbraw/zinc/44/43/63/557444363.db2.gz GFEIWMIZKVDXPZ-VWNXMTODSA-N 1 1 414.540 4.993 50 0 HJAAMO COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1C[N@@H+](CC(C)C)CC2 ZINC000034755612 557458203 /nfs/dbraw/zinc/45/82/03/557458203.db2.gz WUSSGZRVVSYSQX-UHFFFAOYSA-N 1 1 410.562 4.528 50 0 HJAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000003267784 557465845 /nfs/dbraw/zinc/46/58/45/557465845.db2.gz HCBNIQBAMVZNPT-UHFFFAOYSA-N 1 1 404.507 4.545 50 0 HJAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004811078 557600567 /nfs/dbraw/zinc/60/05/67/557600567.db2.gz RQDZLDRYAKHKPP-RUZDIDTESA-N 1 1 417.549 4.764 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843292 558288147 /nfs/dbraw/zinc/28/81/47/558288147.db2.gz LIGPIGKMHAGGFC-SFHVURJKSA-N 1 1 414.571 4.899 50 0 HJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843292 558288151 /nfs/dbraw/zinc/28/81/51/558288151.db2.gz LIGPIGKMHAGGFC-SFHVURJKSA-N 1 1 414.571 4.899 50 0 HJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000019839808 558293742 /nfs/dbraw/zinc/29/37/42/558293742.db2.gz PPUUACYQYCWXSS-CQSZACIVSA-N 1 1 401.432 4.882 50 0 HJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000136 558308145 /nfs/dbraw/zinc/30/81/45/558308145.db2.gz DCSUAZBNECOHOS-MRXNPFEDSA-N 1 1 421.557 4.853 50 0 HJAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000136 558308150 /nfs/dbraw/zinc/30/81/50/558308150.db2.gz DCSUAZBNECOHOS-MRXNPFEDSA-N 1 1 421.557 4.853 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1C ZINC000012076095 558319853 /nfs/dbraw/zinc/31/98/53/558319853.db2.gz LPAHRBWAFCZNEP-GOSISDBHSA-N 1 1 416.512 4.590 50 0 HJAAMO Fc1ccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000020407070 558360335 /nfs/dbraw/zinc/36/03/35/558360335.db2.gz UWQRIZJMZKWUEI-UHFFFAOYSA-N 1 1 420.553 4.898 50 0 HJAAMO Cc1cccc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000020418351 558361464 /nfs/dbraw/zinc/36/14/64/558361464.db2.gz IPSMYFMDHNSTHR-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO c1ccc(CCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)cc1 ZINC000012281048 558365227 /nfs/dbraw/zinc/36/52/27/558365227.db2.gz HJWBCSXWWRNCQB-UHFFFAOYSA-N 1 1 408.549 4.789 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298770 558368642 /nfs/dbraw/zinc/36/86/42/558368642.db2.gz JEHUPEDYXRCRIN-HXUWFJFHSA-N 1 1 414.509 4.778 50 0 HJAAMO CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4oc(Cc5ccc(Cl)cc5)nc4c3)C2)C1 ZINC000012302077 558371876 /nfs/dbraw/zinc/37/18/76/558371876.db2.gz UUGVHJCJKMCXGF-DEOSSOPVSA-N 1 1 423.944 4.630 50 0 HJAAMO COc1ccc(CC[NH+]2CCC(CN(C)Cc3nc(C(C)C)cs3)CC2)cc1 ZINC000012303250 558372963 /nfs/dbraw/zinc/37/29/63/558372963.db2.gz QVNVKQACHQFANT-UHFFFAOYSA-N 1 1 401.620 4.662 50 0 HJAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000012304994 558374159 /nfs/dbraw/zinc/37/41/59/558374159.db2.gz ZKBORASCRRWFIV-LJQANCHMSA-N 1 1 411.477 4.579 50 0 HJAAMO COCc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000012308821 558376900 /nfs/dbraw/zinc/37/69/00/558376900.db2.gz PZIKTDPCBQCKTC-JOCHJYFZSA-N 1 1 411.590 4.868 50 0 HJAAMO CO[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000012314743 558378383 /nfs/dbraw/zinc/37/83/83/558378383.db2.gz NQQKNZIEIGSCIB-JOCHJYFZSA-N 1 1 401.510 4.955 50 0 HJAAMO C[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012331138 558385512 /nfs/dbraw/zinc/38/55/12/558385512.db2.gz HLURBZZATSAMCU-OAQYLSRUSA-N 1 1 405.567 4.823 50 0 HJAAMO O=C(c1cnc2ccccc2c1)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012443810 558413225 /nfs/dbraw/zinc/41/32/25/558413225.db2.gz QLMMVSRTFJWAQQ-HHHXNRCGSA-N 1 1 413.565 4.796 50 0 HJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012448950 558415579 /nfs/dbraw/zinc/41/55/79/558415579.db2.gz GZUCERVYAMEPKS-NRFANRHFSA-N 1 1 413.521 4.692 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCc1ccccc1C ZINC000012476412 558422921 /nfs/dbraw/zinc/42/29/21/558422921.db2.gz NTIQAOZHPUQMSP-DEOSSOPVSA-N 1 1 422.613 4.739 50 0 HJAAMO CC(=O)c1cccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000012570723 558428768 /nfs/dbraw/zinc/42/87/68/558428768.db2.gz QHRDXBAHBQPHAR-UHFFFAOYSA-N 1 1 420.553 4.559 50 0 HJAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc5ccccc5o4)C3)C2)c1 ZINC000012703771 558448612 /nfs/dbraw/zinc/44/86/12/558448612.db2.gz DQHCSDACSRHIPX-VWLOTQADSA-N 1 1 404.510 4.570 50 0 HJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012707715 558450453 /nfs/dbraw/zinc/45/04/53/558450453.db2.gz XFFFXELYADMYKK-SFHVURJKSA-N 1 1 412.505 4.536 50 0 HJAAMO COCC[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012711450 558452696 /nfs/dbraw/zinc/45/26/96/558452696.db2.gz NBTQMNPEWQRJHC-NRFANRHFSA-N 1 1 419.525 4.659 50 0 HJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3C)ccc2c1NC(=O)c1ccccc1 ZINC000012726671 558457168 /nfs/dbraw/zinc/45/71/68/558457168.db2.gz FPNUKLCZSUOFMQ-HNNXBMFYSA-N 1 1 423.538 4.710 50 0 HJAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC000022386239 558485457 /nfs/dbraw/zinc/48/54/57/558485457.db2.gz PVXJNJXYLFZQCI-UHFFFAOYSA-N 1 1 404.510 4.631 50 0 HJAAMO c1cncc(CN(Cc2cccc3nonc32)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012443369 558506893 /nfs/dbraw/zinc/50/68/93/558506893.db2.gz ZEEGFTAXBWFINP-NRFANRHFSA-N 1 1 419.573 4.665 50 0 HJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000014882165 558676440 /nfs/dbraw/zinc/67/64/40/558676440.db2.gz GGHFOFQLECJENS-UHFFFAOYSA-N 1 1 420.605 4.662 50 0 HJAAMO CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663864 558678924 /nfs/dbraw/zinc/67/89/24/558678924.db2.gz LZXIVOYBTQQXKL-JOCHJYFZSA-N 1 1 400.950 4.625 50 0 HJAAMO Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)c1C ZINC000027664274 558679425 /nfs/dbraw/zinc/67/94/25/558679425.db2.gz LDBFEBSDTBEOLX-OAQYLSRUSA-N 1 1 400.950 4.679 50 0 HJAAMO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](CCCn4cccn4)C3)c2)c1 ZINC000014955512 558682134 /nfs/dbraw/zinc/68/21/34/558682134.db2.gz ZTYBMBLYAWHWJB-QHCPKHFHSA-N 1 1 402.542 4.599 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957147 558682654 /nfs/dbraw/zinc/68/26/54/558682654.db2.gz DMFDXQYHMJNTHQ-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957147 558682659 /nfs/dbraw/zinc/68/26/59/558682659.db2.gz DMFDXQYHMJNTHQ-HNNXBMFYSA-N 1 1 424.497 4.631 50 0 HJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc(F)c(F)c3)[N@@H+]3CCC[C@@]123 ZINC000014960375 558683852 /nfs/dbraw/zinc/68/38/52/558683852.db2.gz KOIZLDXGHYWIHR-BUKVSMQUSA-N 1 1 402.872 4.556 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccsc1 ZINC000014980176 558690841 /nfs/dbraw/zinc/69/08/41/558690841.db2.gz JJILXKQEWAVFGK-KRWDZBQOSA-N 1 1 410.505 4.794 50 0 HJAAMO CSc1nc(C(=O)N2CCC[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@H]32)cs1 ZINC000014997799 558696590 /nfs/dbraw/zinc/69/65/90/558696590.db2.gz OJFORSKGVDLLAG-BYFYMVKISA-N 1 1 413.612 4.505 50 0 HJAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015004887 558698878 /nfs/dbraw/zinc/69/88/78/558698878.db2.gz AKLZWRKTNHVHNE-MRXNPFEDSA-N 1 1 403.452 4.517 50 0 HJAAMO COC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)C1 ZINC000015068354 558710824 /nfs/dbraw/zinc/71/08/24/558710824.db2.gz LNSPHAUVRSLWOB-IBGZPJMESA-N 1 1 423.532 4.854 50 0 HJAAMO Cc1ccc(C[NH+]2CCC(CN(C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)o1 ZINC000015071646 558713315 /nfs/dbraw/zinc/71/33/15/558713315.db2.gz JFFACNIYYKHCPX-UHFFFAOYSA-N 1 1 414.937 4.635 50 0 HJAAMO O=c1[nH]ncc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1Cl ZINC000030520145 558731535 /nfs/dbraw/zinc/73/15/35/558731535.db2.gz UTNJNEMIWYIROC-UHFFFAOYSA-N 1 1 421.353 4.540 50 0 HJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860447 558758200 /nfs/dbraw/zinc/75/82/00/558758200.db2.gz VSTQCSRLMJGXMD-LJQANCHMSA-N 1 1 413.905 4.853 50 0 HJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1CN1CCOCC1 ZINC000033087064 558760648 /nfs/dbraw/zinc/76/06/48/558760648.db2.gz DRGPSXAPPNAWPC-OAQYLSRUSA-N 1 1 400.588 4.706 50 0 HJAAMO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000016695472 558800981 /nfs/dbraw/zinc/80/09/81/558800981.db2.gz JULYADSVHVHNSX-LLVKDONJSA-N 1 1 409.235 4.828 50 0 HJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756243 558864933 /nfs/dbraw/zinc/86/49/33/558864933.db2.gz UCRIIXJATPHSML-WOVHNISZSA-N 1 1 408.586 4.732 50 0 HJAAMO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000054114374 558866331 /nfs/dbraw/zinc/86/63/31/558866331.db2.gz CCVNWUIPFMAOTJ-VWLOTQADSA-N 1 1 400.501 4.922 50 0 HJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000071589555 558905731 /nfs/dbraw/zinc/90/57/31/558905731.db2.gz HBSIWWNLCXCUPP-UHFFFAOYSA-N 1 1 405.498 4.530 50 0 HJAAMO Cc1sc2nc(CN3CCC(C)CC3)nc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000058196675 558910936 /nfs/dbraw/zinc/91/09/36/558910936.db2.gz FWPXIPGOHPKRIA-IBGZPJMESA-N 1 1 415.651 4.682 50 0 HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000033059971 558954216 /nfs/dbraw/zinc/95/42/16/558954216.db2.gz YUTSFMBOYXTSQD-UHFFFAOYSA-N 1 1 418.566 4.566 50 0 HJAAMO COC[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072427780 558979111 /nfs/dbraw/zinc/97/91/11/558979111.db2.gz JNICFAGBHHJPEN-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO CCN1CC[NH+](Cc2cc3ccc(SC)cc3nc2-c2cccc(OC)c2)CC1 ZINC000072439855 558981352 /nfs/dbraw/zinc/98/13/52/558981352.db2.gz ZQZZOYWVAKRTNN-UHFFFAOYSA-N 1 1 407.583 4.770 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000023310710 559114619 /nfs/dbraw/zinc/11/46/19/559114619.db2.gz BWYTVAJRLYVQGQ-SANMLTNESA-N 1 1 402.513 4.610 50 0 HJAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1Br ZINC000072303675 559124257 /nfs/dbraw/zinc/12/42/57/559124257.db2.gz JBQSRHKGZACKRP-INIZCTEOSA-N 1 1 421.766 4.697 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)cc1 ZINC000023320134 559125785 /nfs/dbraw/zinc/12/57/85/559125785.db2.gz MAGTXTDSOXIJKC-QFIPXVFZSA-N 1 1 405.929 4.591 50 0 HJAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000005055769 559237687 /nfs/dbraw/zinc/23/76/87/559237687.db2.gz BBWWBWKPNLGNSX-FQEVSTJZSA-N 1 1 421.516 4.626 50 0 HJAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC000051317167 560857189 /nfs/dbraw/zinc/85/71/89/560857189.db2.gz YIZPVBWMWBUTMB-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000105750042 560877370 /nfs/dbraw/zinc/87/73/70/560877370.db2.gz OLZMJHFNJLMXNH-SIBVEZHUSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000105750042 560877372 /nfs/dbraw/zinc/87/73/72/560877372.db2.gz OLZMJHFNJLMXNH-SIBVEZHUSA-N 1 1 424.585 4.662 50 0 HJAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032260 568424665 /nfs/dbraw/zinc/42/46/65/568424665.db2.gz FYOKBAHTFJKCRX-UHFFFAOYSA-N 1 1 424.957 4.884 50 0 HJAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286186 568596936 /nfs/dbraw/zinc/59/69/36/568596936.db2.gz YLCDEADQJWUZHR-UHFFFAOYSA-N 1 1 421.953 4.891 50 0 HJAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286186 568596937 /nfs/dbraw/zinc/59/69/37/568596937.db2.gz YLCDEADQJWUZHR-UHFFFAOYSA-N 1 1 421.953 4.891 50 0 HJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452599 568608959 /nfs/dbraw/zinc/60/89/59/568608959.db2.gz CTARYXNUPHYYTI-OAQYLSRUSA-N 1 1 413.521 4.830 50 0 HJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452599 568608963 /nfs/dbraw/zinc/60/89/63/568608963.db2.gz CTARYXNUPHYYTI-OAQYLSRUSA-N 1 1 413.521 4.830 50 0 HJAAMO CCc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000020927455 568651578 /nfs/dbraw/zinc/65/15/78/568651578.db2.gz KILWPKSYPKGUCE-UHFFFAOYSA-N 1 1 408.571 4.801 50 0 HJAAMO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668378 568702240 /nfs/dbraw/zinc/70/22/40/568702240.db2.gz BUZWAQHSOGPPBH-UHFFFAOYSA-N 1 1 407.464 4.539 50 0 HJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000021794150 568753360 /nfs/dbraw/zinc/75/33/60/568753360.db2.gz BXNUVEDYYBCAGB-UHFFFAOYSA-N 1 1 401.514 4.998 50 0 HJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1C ZINC000021794150 568753361 /nfs/dbraw/zinc/75/33/61/568753361.db2.gz BXNUVEDYYBCAGB-UHFFFAOYSA-N 1 1 401.514 4.998 50 0 HJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000021794336 568753526 /nfs/dbraw/zinc/75/35/26/568753526.db2.gz FHYDWBNJURQZBD-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794336 568753527 /nfs/dbraw/zinc/75/35/27/568753527.db2.gz FHYDWBNJURQZBD-UHFFFAOYSA-N 1 1 405.477 4.910 50 0 HJAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000057273752 568825613 /nfs/dbraw/zinc/82/56/13/568825613.db2.gz QLVKHYFCTXODGZ-DEOSSOPVSA-N 1 1 422.550 4.960 50 0 HJAAMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057405934 568832775 /nfs/dbraw/zinc/83/27/75/568832775.db2.gz ACBAQSNJBWUMHR-HUUCEWRRSA-N 1 1 422.356 4.508 50 0 HJAAMO O=C(/C=C\c1ccccc1)Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000230144894 568852317 /nfs/dbraw/zinc/85/23/17/568852317.db2.gz VJLXBASUDGHACX-WUMUHYHGSA-N 1 1 418.537 4.760 50 0 HJAAMO CCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000012582550 568864867 /nfs/dbraw/zinc/86/48/67/568864867.db2.gz ONHWENFQPLIXJJ-OAQYLSRUSA-N 1 1 418.516 4.696 50 0 HJAAMO COc1ccc(NC(=S)N2CCC[N@H+](Cc3cc(C)ccc3C)C2)cc1Cl ZINC000058096697 568885443 /nfs/dbraw/zinc/88/54/43/568885443.db2.gz NIUFKEARQCTODE-UHFFFAOYSA-N 1 1 403.979 4.828 50 0 HJAAMO COc1ccc(NC(=S)N2CCC[N@@H+](Cc3cc(C)ccc3C)C2)cc1Cl ZINC000058096697 568885444 /nfs/dbraw/zinc/88/54/44/568885444.db2.gz NIUFKEARQCTODE-UHFFFAOYSA-N 1 1 403.979 4.828 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000015860941 569015413 /nfs/dbraw/zinc/01/54/13/569015413.db2.gz XSQWODSRBPZPBB-QGZVFWFLSA-N 1 1 401.963 4.624 50 0 HJAAMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006551288 569065410 /nfs/dbraw/zinc/06/54/10/569065410.db2.gz RRUPHORIPFZAGX-UHFFFAOYSA-N 1 1 412.917 4.832 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006551288 569065411 /nfs/dbraw/zinc/06/54/11/569065411.db2.gz RRUPHORIPFZAGX-UHFFFAOYSA-N 1 1 412.917 4.832 50 0 HJAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)C3CCCC3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926212 569066498 /nfs/dbraw/zinc/06/64/98/569066498.db2.gz KJSGFDVFWXZLOY-UHFFFAOYSA-N 1 1 422.617 4.876 50 0 HJAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000064590910 569069228 /nfs/dbraw/zinc/06/92/28/569069228.db2.gz MQAOHVVRUXPKPB-UHFFFAOYSA-N 1 1 419.912 4.559 50 0 HJAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)cc(OC)c1 ZINC000036030871 569080777 /nfs/dbraw/zinc/08/07/77/569080777.db2.gz IJMFOUNHZRCMDR-FQEVSTJZSA-N 1 1 421.965 4.645 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065615 569085859 /nfs/dbraw/zinc/08/58/59/569085859.db2.gz IIBDQWAXGXBQEJ-IBGZPJMESA-N 1 1 409.530 4.861 50 0 HJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065615 569085860 /nfs/dbraw/zinc/08/58/60/569085860.db2.gz IIBDQWAXGXBQEJ-IBGZPJMESA-N 1 1 409.530 4.861 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(F)cc2)C1 ZINC000006750405 569109362 /nfs/dbraw/zinc/10/93/62/569109362.db2.gz RVAHJUVPQBMZGX-OAHLLOKOSA-N 1 1 412.534 4.939 50 0 HJAAMO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307796 569130263 /nfs/dbraw/zinc/13/02/63/569130263.db2.gz WOVMHEBXCVGAOB-KRWDZBQOSA-N 1 1 409.505 4.611 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036316331 569135113 /nfs/dbraw/zinc/13/51/13/569135113.db2.gz VCJMYBZUMZJUFX-IBGZPJMESA-N 1 1 405.542 4.820 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341136 569141845 /nfs/dbraw/zinc/14/18/45/569141845.db2.gz JVOFKSZIEKOQNO-QFIPXVFZSA-N 1 1 411.933 4.512 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000036346661 569143829 /nfs/dbraw/zinc/14/38/29/569143829.db2.gz QAVPNDIWTJCJBD-MRXNPFEDSA-N 1 1 415.484 4.844 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000006937202 569185238 /nfs/dbraw/zinc/18/52/38/569185238.db2.gz RDKYIQXDMXFMCP-OZXSUGGESA-N 1 1 405.538 4.603 50 0 HJAAMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c(C)c1 ZINC000065184145 569191271 /nfs/dbraw/zinc/19/12/71/569191271.db2.gz PPMOQOFABOHNGO-UHFFFAOYSA-N 1 1 422.504 4.619 50 0 HJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)n1 ZINC000065257920 569209774 /nfs/dbraw/zinc/20/97/74/569209774.db2.gz GTYUBOHWPMHAQT-UHFFFAOYSA-N 1 1 411.937 4.621 50 0 HJAAMO C[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2C1 ZINC000017250527 569276964 /nfs/dbraw/zinc/27/69/64/569276964.db2.gz AYJMLJPPLPOZKD-JVVYVMHDSA-N 1 1 416.377 4.795 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445433 569286093 /nfs/dbraw/zinc/28/60/93/569286093.db2.gz ZRBAGJVDJFTENS-JTSKRJEESA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445433 569286094 /nfs/dbraw/zinc/28/60/94/569286094.db2.gz ZRBAGJVDJFTENS-JTSKRJEESA-N 1 1 402.494 4.775 50 0 HJAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676416 569297907 /nfs/dbraw/zinc/29/79/07/569297907.db2.gz ZJEFCFNVEYCLRD-SFHVURJKSA-N 1 1 410.949 4.502 50 0 HJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002247188 569324366 /nfs/dbraw/zinc/32/43/66/569324366.db2.gz SBXYGTTZCWHMPV-XZOQPEGZSA-N 1 1 414.415 4.769 50 0 HJAAMO CC(=O)Nc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000055253197 569396727 /nfs/dbraw/zinc/39/67/27/569396727.db2.gz IKYPYGRYUBGLRO-AREMUKBSSA-N 1 1 405.586 4.566 50 0 HJAAMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079188503 569429063 /nfs/dbraw/zinc/42/90/63/569429063.db2.gz DMLVUAPVRARYIC-FUHWJXTLSA-N 1 1 403.979 4.766 50 0 biogenic HJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709258 571104378 /nfs/dbraw/zinc/10/43/78/571104378.db2.gz ZRBAGJVDJFTENS-VGOFRKELSA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709258 571104380 /nfs/dbraw/zinc/10/43/80/571104380.db2.gz ZRBAGJVDJFTENS-VGOFRKELSA-N 1 1 402.494 4.775 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008879944 571131339 /nfs/dbraw/zinc/13/13/39/571131339.db2.gz WLEQXMRNLFYWNA-HXUWFJFHSA-N 1 1 423.513 4.880 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008879944 571131341 /nfs/dbraw/zinc/13/13/41/571131341.db2.gz WLEQXMRNLFYWNA-HXUWFJFHSA-N 1 1 423.513 4.880 50 0 HJAAMO COc1cccc(C[N@H+]2C[C@@H](C(=O)NCc3ccccc3)CC[C@H]2c2ccccc2)c1 ZINC000245279929 571222461 /nfs/dbraw/zinc/22/24/61/571222461.db2.gz JYHYAVUBKGURFO-AHWVRZQESA-N 1 1 414.549 4.965 50 0 HJAAMO COc1ccccc1[C@H](CNC(=O)c1oc2cc(C)c(Cl)cc2c1C)[NH+](C)C ZINC000009206437 571236699 /nfs/dbraw/zinc/23/66/99/571236699.db2.gz WGJOOBHPEIXHSB-SFHVURJKSA-N 1 1 400.906 4.744 50 0 HJAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCc1ccccc1 ZINC000004980913 132297662 /nfs/dbraw/zinc/29/76/62/132297662.db2.gz IDCQQVPGDRXBBZ-UHFFFAOYSA-N 1 1 406.501 4.736 50 0 HJAAMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000006667546 132312815 /nfs/dbraw/zinc/31/28/15/132312815.db2.gz LJNACVAXJCCGSX-UHFFFAOYSA-N 1 1 400.522 4.790 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000032754805 523375425 /nfs/dbraw/zinc/37/54/25/523375425.db2.gz DIEPJXIZAWYRFT-JOCHJYFZSA-N 1 1 423.582 4.893 50 0 HJAAMO O=C(c1csc(-c2ccsc2)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024097034 526901676 /nfs/dbraw/zinc/90/16/76/526901676.db2.gz XEQDVKWLJFYIMO-UHFFFAOYSA-N 1 1 419.575 4.983 50 0 HJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635854 557029526 /nfs/dbraw/zinc/02/95/26/557029526.db2.gz TUPLZYHCEXMIBU-LOSJGSFVSA-N 1 1 422.488 4.808 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002255241 557331626 /nfs/dbraw/zinc/33/16/26/557331626.db2.gz SJBGRDLTAGYTNG-RPWUZVMVSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000002917765 557426749 /nfs/dbraw/zinc/42/67/49/557426749.db2.gz ZQDRDNIZJXQOGO-BJKOFHAPSA-N 1 1 410.452 4.938 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Nc2ccc(C)c(C)c2)nc2ccccc21 ZINC000003056228 557790530 /nfs/dbraw/zinc/79/05/30/557790530.db2.gz LXGSMSHFJDBYMD-FQEVSTJZSA-N 1 1 402.542 4.809 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1c[nH]c2ccccc12 ZINC000011661531 558265385 /nfs/dbraw/zinc/26/53/85/558265385.db2.gz GHYWZYDPBVMRSN-LJQANCHMSA-N 1 1 409.961 4.848 50 0 HJAAMO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932789 558297757 /nfs/dbraw/zinc/29/77/57/558297757.db2.gz SKFXVEATCCHECZ-NRFANRHFSA-N 1 1 416.993 4.744 50 0 HJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+]5CCC[C@H](C)C5)C4=O)cc3)sc2c1 ZINC000019890027 558302679 /nfs/dbraw/zinc/30/26/79/558302679.db2.gz KZHWHWUVOWMIFU-OXJNMPFZSA-N 1 1 419.550 4.636 50 0 HJAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000012004201 558308895 /nfs/dbraw/zinc/30/88/95/558308895.db2.gz NDLQZMOWIZDLMQ-QFIPXVFZSA-N 1 1 405.542 4.884 50 0 HJAAMO Cc1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)cc(C)c1O ZINC000012050228 558313779 /nfs/dbraw/zinc/31/37/79/558313779.db2.gz FEYXMNNTJCCHRH-PTLVVNQVSA-N 1 1 410.945 4.600 50 0 HJAAMO CC(C)c1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012072551 558317742 /nfs/dbraw/zinc/31/77/42/558317742.db2.gz JYVQTGCSXOBDEM-SFHVURJKSA-N 1 1 420.022 4.947 50 0 HJAAMO CCOCc1cc(C[N@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)ccc1OC ZINC000012074077 558318902 /nfs/dbraw/zinc/31/89/02/558318902.db2.gz VYFUTFOEZCNQRH-AREMUKBSSA-N 1 1 411.586 4.829 50 0 HJAAMO Cc1cccc(C)c1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347228 558356664 /nfs/dbraw/zinc/35/66/64/558356664.db2.gz UUQSBHGBICQKCU-UHFFFAOYSA-N 1 1 414.549 4.616 50 0 HJAAMO COc1cc(C)c(-c2nc(C[NH+]3CCC([C@H](O)c4cccnc4)CC3)c(C)o2)cc1C ZINC000020406494 558360220 /nfs/dbraw/zinc/36/02/20/558360220.db2.gz ONTVEMDGIZMLOB-DEOSSOPVSA-N 1 1 421.541 4.616 50 0 HJAAMO CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4oc(Cc5ccc(Cl)cc5)nc4c3)C2)C1 ZINC000012302076 558371862 /nfs/dbraw/zinc/37/18/62/558371862.db2.gz UUGVHJCJKMCXGF-XMMPIXPASA-N 1 1 423.944 4.630 50 0 HJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305093 558374196 /nfs/dbraw/zinc/37/41/96/558374196.db2.gz VYCADAVNZVLTHT-QFIPXVFZSA-N 1 1 402.586 4.772 50 0 HJAAMO CN(Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012304916 558374230 /nfs/dbraw/zinc/37/42/30/558374230.db2.gz GQHMAXASOPVKLB-OAQYLSRUSA-N 1 1 406.549 4.602 50 0 HJAAMO CO[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000012314744 558378377 /nfs/dbraw/zinc/37/83/77/558378377.db2.gz NQQKNZIEIGSCIB-QFIPXVFZSA-N 1 1 401.510 4.955 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000012386376 558395008 /nfs/dbraw/zinc/39/50/08/558395008.db2.gz ZHBVDSLPFXOAJG-LJQANCHMSA-N 1 1 409.555 4.816 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000012386376 558395010 /nfs/dbraw/zinc/39/50/10/558395010.db2.gz ZHBVDSLPFXOAJG-LJQANCHMSA-N 1 1 409.555 4.816 50 0 HJAAMO CN(C(=O)c1csc(-c2cccs2)n1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012386404 558395286 /nfs/dbraw/zinc/39/52/86/558395286.db2.gz MHWPPPHYFRRGEW-SFHVURJKSA-N 1 1 423.607 4.575 50 0 HJAAMO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000012576412 558431024 /nfs/dbraw/zinc/43/10/24/558431024.db2.gz QTPBIGMRNHCQFI-UHFFFAOYSA-N 1 1 410.468 4.559 50 0 HJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805384 558450535 /nfs/dbraw/zinc/45/05/35/558450535.db2.gz QUPUOQUVOKJILD-OAQYLSRUSA-N 1 1 409.917 4.952 50 0 HJAAMO O=C(c1ccc(OC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)cc1)N1CCCC1 ZINC000012712053 558452988 /nfs/dbraw/zinc/45/29/88/558452988.db2.gz DYMIYQOMFRQSPE-UHFFFAOYSA-N 1 1 416.924 4.759 50 0 HJAAMO O=C(c1ccccc1OC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)N1CCCCC1 ZINC000012755267 558459874 /nfs/dbraw/zinc/45/98/74/558459874.db2.gz AXJHDZUAHFIPTR-UHFFFAOYSA-N 1 1 414.496 4.634 50 0 HJAAMO c1cc(-c2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cs1 ZINC000022786981 558511024 /nfs/dbraw/zinc/51/10/24/558511024.db2.gz HMVOJNPBKBGMHB-UHFFFAOYSA-N 1 1 416.550 4.705 50 0 HJAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666847 558606984 /nfs/dbraw/zinc/60/69/84/558606984.db2.gz GSHUHTASDYWEGB-HXUWFJFHSA-N 1 1 405.542 4.835 50 0 HJAAMO C[C@@H](c1ccco1)N(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccn1 ZINC000014093933 558619311 /nfs/dbraw/zinc/61/93/11/558619311.db2.gz OSLPUQRNXSUNEZ-FQEVSTJZSA-N 1 1 403.526 4.724 50 0 HJAAMO Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1C ZINC000027663861 558678918 /nfs/dbraw/zinc/67/89/18/558678918.db2.gz CEKJRCXEROJXCZ-JOCHJYFZSA-N 1 1 400.950 4.679 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1C ZINC000014981413 558691936 /nfs/dbraw/zinc/69/19/36/558691936.db2.gz LAHGGFHWALMZKV-OAQYLSRUSA-N 1 1 401.554 4.867 50 0 HJAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000014989903 558693772 /nfs/dbraw/zinc/69/37/72/558693772.db2.gz KSAASYAGMQMISL-HXUWFJFHSA-N 1 1 417.582 4.968 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@H](OC)C2)cc1F ZINC000015062040 558704983 /nfs/dbraw/zinc/70/49/83/558704983.db2.gz RSZSQGOPWZJOFT-FQEVSTJZSA-N 1 1 409.505 4.606 50 0 HJAAMO CCCC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](CC)c1ccccc1 ZINC000072285248 558715554 /nfs/dbraw/zinc/71/55/54/558715554.db2.gz NCBDFFUXXOQBOY-HXUWFJFHSA-N 1 1 409.530 4.694 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H]2c2nonc2C)c1 ZINC000015075748 558716402 /nfs/dbraw/zinc/71/64/02/558716402.db2.gz FVDGOFUTDFHMFV-JOCHJYFZSA-N 1 1 415.497 4.576 50 0 HJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H]2c2nonc2C)c1 ZINC000015075748 558716404 /nfs/dbraw/zinc/71/64/04/558716404.db2.gz FVDGOFUTDFHMFV-JOCHJYFZSA-N 1 1 415.497 4.576 50 0 HJAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717310 /nfs/dbraw/zinc/71/73/10/558717310.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 1 1 414.956 4.742 50 0 HJAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717313 /nfs/dbraw/zinc/71/73/13/558717313.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 1 1 414.956 4.742 50 0 HJAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717315 /nfs/dbraw/zinc/71/73/15/558717315.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 1 1 414.956 4.742 50 0 HJAAMO CSCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000032988560 558808260 /nfs/dbraw/zinc/80/82/60/558808260.db2.gz BHNVWVDLHFPESI-SFHVURJKSA-N 1 1 402.947 4.982 50 0 HJAAMO Cc1cc[nH+]c(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)c1 ZINC000018148559 558832169 /nfs/dbraw/zinc/83/21/69/558832169.db2.gz AOPQAPDFCNLFSU-UHFFFAOYSA-N 1 1 405.502 4.527 50 0 HJAAMO Cc1c(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000055199456 558875769 /nfs/dbraw/zinc/87/57/69/558875769.db2.gz ROUCHKSSMRIFGY-RUZDIDTESA-N 1 1 414.553 4.721 50 0 HJAAMO CC(C)Cc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000055283380 558878410 /nfs/dbraw/zinc/87/84/10/558878410.db2.gz NNBISDAMXDTYFP-UHFFFAOYSA-N 1 1 409.622 4.660 50 0 HJAAMO CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057984515 558892213 /nfs/dbraw/zinc/89/22/13/558892213.db2.gz KHQBVADKQQLJIE-NRFANRHFSA-N 1 1 423.557 4.755 50 0 HJAAMO CC(=O)c1cc(CCC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)oc1C ZINC000058055539 558897276 /nfs/dbraw/zinc/89/72/76/558897276.db2.gz AXSCIXPJXOEQPE-HDICACEKSA-N 1 1 410.558 4.518 50 0 HJAAMO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058175723 558909644 /nfs/dbraw/zinc/90/96/44/558909644.db2.gz OFUZKJCDGUJRKA-JOCHJYFZSA-N 1 1 402.538 4.908 50 0 HJAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068901 558970741 /nfs/dbraw/zinc/97/07/41/558970741.db2.gz QEAXYTDFYPWEAP-UHFFFAOYSA-N 1 1 407.514 4.974 50 0 HJAAMO CO[C@@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072409256 558977407 /nfs/dbraw/zinc/97/74/07/558977407.db2.gz QLWKDWTYUXDFEX-LJQANCHMSA-N 1 1 410.901 4.895 50 0 HJAAMO COC[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072408533 558977512 /nfs/dbraw/zinc/97/75/12/558977512.db2.gz JNICFAGBHHJPEN-HXUWFJFHSA-N 1 1 409.505 4.606 50 0 HJAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000072435098 558980064 /nfs/dbraw/zinc/98/00/64/558980064.db2.gz WAFWGDKQMOZRIT-UHFFFAOYSA-N 1 1 404.539 4.987 50 0 HJAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000072435098 558980067 /nfs/dbraw/zinc/98/00/67/558980067.db2.gz WAFWGDKQMOZRIT-UHFFFAOYSA-N 1 1 404.539 4.987 50 0 HJAAMO COCC[N@@H+](C)Cc1cc2c(OC)ccc(OC)c2nc1-c1ccc(Cl)cc1 ZINC000072478868 558983841 /nfs/dbraw/zinc/98/38/41/558983841.db2.gz KRUWZCWVJLSMCW-UHFFFAOYSA-N 1 1 400.906 4.651 50 0 HJAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000077370113 559002439 /nfs/dbraw/zinc/00/24/39/559002439.db2.gz LKPLFMDSJQEBSZ-FQEVSTJZSA-N 1 1 420.532 4.951 50 0 HJAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000077370113 559002440 /nfs/dbraw/zinc/00/24/40/559002440.db2.gz LKPLFMDSJQEBSZ-FQEVSTJZSA-N 1 1 420.532 4.951 50 0 HJAAMO O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033287242 559043878 /nfs/dbraw/zinc/04/38/78/559043878.db2.gz LVWTUKHAWXKXKP-UHFFFAOYSA-N 1 1 415.921 4.825 50 0 HJAAMO O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033287242 559043879 /nfs/dbraw/zinc/04/38/79/559043879.db2.gz LVWTUKHAWXKXKP-UHFFFAOYSA-N 1 1 415.921 4.825 50 0 HJAAMO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)c1cccc(Cl)c1Cl ZINC000085651603 559057220 /nfs/dbraw/zinc/05/72/20/559057220.db2.gz CVVCXJPWSQZXEO-UHFFFAOYSA-N 1 1 406.309 4.563 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004927534 559207962 /nfs/dbraw/zinc/20/79/62/559207962.db2.gz PTJDVGFMPSNPLD-JOCHJYFZSA-N 1 1 404.526 4.697 50 0 HJAAMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248256416 559269643 /nfs/dbraw/zinc/26/96/43/559269643.db2.gz OONFLJARMUMZKP-URXFXBBRSA-N 1 1 408.542 4.595 50 0 HJAAMO c1ccc(-c2cnc(-c3ccncc3)nc2[C@H]2CCC[N@H+]([C@H]3CCSC3)C2)cc1 ZINC000104320113 560850335 /nfs/dbraw/zinc/85/03/35/560850335.db2.gz IMFWWHSWTULOTP-SFTDATJTSA-N 1 1 402.567 4.891 50 0 HJAAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C1CC1 ZINC000107089696 560895411 /nfs/dbraw/zinc/89/54/11/560895411.db2.gz SHUCLUKNTYWAJZ-HZPDHXFCSA-N 1 1 411.933 4.629 50 0 HJAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C1CC1 ZINC000107089696 560895412 /nfs/dbraw/zinc/89/54/12/560895412.db2.gz SHUCLUKNTYWAJZ-HZPDHXFCSA-N 1 1 411.933 4.629 50 0 HJAAMO C(=C/c1ccccc1)\CN1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014958478 568485316 /nfs/dbraw/zinc/48/53/16/568485316.db2.gz WTRUHZRRVMSYSB-MOVYNIQHSA-N 1 1 408.615 4.557 50 0 HJAAMO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1Cl ZINC000000831828 568508091 /nfs/dbraw/zinc/50/80/91/568508091.db2.gz JFJDDFYRSYRPDO-SFHVURJKSA-N 1 1 407.695 4.730 50 0 HJAAMO C[C@@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288446 568597504 /nfs/dbraw/zinc/59/75/04/568597504.db2.gz PSTXPRDTIYBNSR-JPYJTQIMSA-N 1 1 423.557 4.569 50 0 HJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020927306 568651487 /nfs/dbraw/zinc/65/14/87/568651487.db2.gz QRGJGWYLNHEMQV-UHFFFAOYSA-N 1 1 420.582 4.727 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)CC)co2)[C@@H](C)C(C)C)cc1 ZINC000096280025 568717741 /nfs/dbraw/zinc/71/77/41/568717741.db2.gz YPFOFADEDULNQX-MSOLQXFVSA-N 1 1 401.551 4.648 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@H](C)CC)co2)[C@@H](C)C(C)C)cc1 ZINC000096280025 568717744 /nfs/dbraw/zinc/71/77/44/568717744.db2.gz YPFOFADEDULNQX-MSOLQXFVSA-N 1 1 401.551 4.648 50 0 HJAAMO Cc1nc([C@H](C)[N@H+]2CCC[C@](O)(c3ccccc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000241383463 568731327 /nfs/dbraw/zinc/73/13/27/568731327.db2.gz MVMCQKXKAMRFEU-MHECFPHRSA-N 1 1 410.945 5.738 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323680 568732678 /nfs/dbraw/zinc/73/26/78/568732678.db2.gz PWMUMIYNABPKIP-MRXNPFEDSA-N 1 1 410.493 4.705 50 0 HJAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(C)cc3Cl)c(C[NH+]3CCOCC3)c2s1 ZINC000096363788 568739537 /nfs/dbraw/zinc/73/95/37/568739537.db2.gz IRFSVUGGGFJNRS-UHFFFAOYSA-N 1 1 403.935 4.584 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714891 568748854 /nfs/dbraw/zinc/74/88/54/568748854.db2.gz BSYPNEXPLPWBTM-KRWDZBQOSA-N 1 1 401.461 4.630 50 0 HJAAMO O=C(c1ccc2cccc(F)c2n1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012458245 568756374 /nfs/dbraw/zinc/75/63/74/568756374.db2.gz NPHXOGRUXGHQEX-AREMUKBSSA-N 1 1 417.528 4.545 50 0 HJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000002915230 568816230 /nfs/dbraw/zinc/81/62/30/568816230.db2.gz NJAZZHWKFVUXHE-RPBOFIJWSA-N 1 1 422.488 4.808 50 0 HJAAMO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015937 568823336 /nfs/dbraw/zinc/82/33/36/568823336.db2.gz KIHKEBIYSKTKBZ-CVDCTZTESA-N 1 1 420.582 4.822 50 0 HJAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000057286180 568825988 /nfs/dbraw/zinc/82/59/88/568825988.db2.gz AFVVCSXHYBVDNP-FQEVSTJZSA-N 1 1 401.554 4.943 50 0 HJAAMO C[NH+]1CCN(C(=S)c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 ZINC000005879268 568827739 /nfs/dbraw/zinc/82/77/39/568827739.db2.gz GRFSWTCGIIFDOT-UHFFFAOYSA-N 1 1 418.393 4.919 50 0 HJAAMO CCOc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000003044976 568848611 /nfs/dbraw/zinc/84/86/11/568848611.db2.gz TZASZZRUJTZDHE-LJQANCHMSA-N 1 1 417.553 4.905 50 0 HJAAMO O=C(CC[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000001293829 568912981 /nfs/dbraw/zinc/91/29/81/568912981.db2.gz MRBRTBIIJAGDSN-XMMPIXPASA-N 1 1 413.517 4.721 50 0 aggregator HJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000015669162 568960770 /nfs/dbraw/zinc/96/07/70/568960770.db2.gz KHHYRJPUQROBJX-UHFFFAOYSA-N 1 1 401.514 4.950 50 0 HJAAMO Cc1cc([C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546419 569000226 /nfs/dbraw/zinc/00/02/26/569000226.db2.gz ZBIZFPMALDGETN-OAQYLSRUSA-N 1 1 409.555 4.547 50 0 HJAAMO FC(F)(F)c1cccc(-n2nnnc2C2([NH2+]Cc3ccccc3)CCCCC2)c1 ZINC000035622574 569046593 /nfs/dbraw/zinc/04/65/93/569046593.db2.gz DXNASEQJLHCXJB-UHFFFAOYSA-N 1 1 401.436 4.630 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1nc(-n2cccc2)sc1-c1ccccc1 ZINC000524730739 569051702 /nfs/dbraw/zinc/05/17/02/569051702.db2.gz VSNQKDJHZWTQGE-VQTJNVASSA-N 1 1 420.582 4.595 50 0 biogenic HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000245311699 569055840 /nfs/dbraw/zinc/05/58/40/569055840.db2.gz QMRMWHQBABTUIB-DFCKQENNSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000245311699 569055841 /nfs/dbraw/zinc/05/58/41/569055841.db2.gz QMRMWHQBABTUIB-DFCKQENNSA-N 1 1 422.569 4.619 50 0 HJAAMO C[N@@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000248087793 569057611 /nfs/dbraw/zinc/05/76/11/569057611.db2.gz BQVSECBBYKNYHP-DEOSSOPVSA-N 1 1 424.548 4.739 50 0 HJAAMO C[N@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000248087793 569057612 /nfs/dbraw/zinc/05/76/12/569057612.db2.gz BQVSECBBYKNYHP-DEOSSOPVSA-N 1 1 424.548 4.739 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000006616574 569074738 /nfs/dbraw/zinc/07/47/38/569074738.db2.gz LURPUJUSSIGFBV-MRXNPFEDSA-N 1 1 406.349 4.706 50 0 HJAAMO CC[C@@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695777 569091773 /nfs/dbraw/zinc/09/17/73/569091773.db2.gz XNHQQQZADZZEOR-RDGATRHJSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000064801437 569097170 /nfs/dbraw/zinc/09/71/70/569097170.db2.gz IQUJGHJBKMLQIL-UHFFFAOYSA-N 1 1 418.501 4.781 50 0 HJAAMO CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146334 569098686 /nfs/dbraw/zinc/09/86/86/569098686.db2.gz PJQRPLUIFPUTDT-UNMCSNQZSA-N 1 1 416.949 4.505 50 0 HJAAMO CCC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206180 569109647 /nfs/dbraw/zinc/10/96/47/569109647.db2.gz KXYHYGHKWJTWGG-INIZCTEOSA-N 1 1 419.978 4.676 50 0 HJAAMO CCC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206180 569109648 /nfs/dbraw/zinc/10/96/48/569109648.db2.gz KXYHYGHKWJTWGG-INIZCTEOSA-N 1 1 419.978 4.676 50 0 HJAAMO CC(C)c1ccc2oc(=O)cc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000019371466 569124714 /nfs/dbraw/zinc/12/47/14/569124714.db2.gz UBFSOHXIZAXXHT-RMKNXTFCSA-N 1 1 402.538 4.747 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000036303764 569128792 /nfs/dbraw/zinc/12/87/92/569128792.db2.gz WWONNBIFSIGJFQ-INIZCTEOSA-N 1 1 411.933 4.972 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000036303764 569128793 /nfs/dbraw/zinc/12/87/93/569128793.db2.gz WWONNBIFSIGJFQ-INIZCTEOSA-N 1 1 411.933 4.972 50 0 HJAAMO COc1ccccc1Oc1c(C[N@@H+](CC(C)C)C[C@@H](C)O)c(C)nn1-c1ccccc1 ZINC000036304308 569128806 /nfs/dbraw/zinc/12/88/06/569128806.db2.gz ATBOHLVJSNEFTA-LJQANCHMSA-N 1 1 423.557 4.820 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036342122 569142069 /nfs/dbraw/zinc/14/20/69/569142069.db2.gz AFWURSJWPSAIKA-QGZVFWFLSA-N 1 1 409.505 4.705 50 0 HJAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)C2CCCCC2)[C@H](c2cccc(F)c2)C1 ZINC000036344847 569142878 /nfs/dbraw/zinc/14/28/78/569142878.db2.gz ZIQLTAKJSLSGRW-QHCPKHFHSA-N 1 1 423.532 4.777 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036346095 569143495 /nfs/dbraw/zinc/14/34/95/569143495.db2.gz CEQXCNORUBEMES-QGZVFWFLSA-N 1 1 409.505 4.705 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036389521 569161030 /nfs/dbraw/zinc/16/10/30/569161030.db2.gz ZRBAGJVDJFTENS-VGSWGCGISA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036389521 569161031 /nfs/dbraw/zinc/16/10/31/569161031.db2.gz ZRBAGJVDJFTENS-VGSWGCGISA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036390057 569165606 /nfs/dbraw/zinc/16/56/06/569165606.db2.gz RKFDHFPSUFILLM-VGSWGCGISA-N 1 1 406.526 4.501 50 0 HJAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036390057 569165607 /nfs/dbraw/zinc/16/56/07/569165607.db2.gz RKFDHFPSUFILLM-VGSWGCGISA-N 1 1 406.526 4.501 50 0 HJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000065322230 569224482 /nfs/dbraw/zinc/22/44/82/569224482.db2.gz YLZNDTHKAHPCJO-UHFFFAOYSA-N 1 1 420.557 4.758 50 0 HJAAMO COc1ccc(Br)cc1C[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000037123801 569237667 /nfs/dbraw/zinc/23/76/67/569237667.db2.gz RJVNTSBZYGLBNF-UHFFFAOYSA-N 1 1 422.348 4.634 50 0 HJAAMO O=C(CSc1ccc2ccccc2c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000089832352 569266893 /nfs/dbraw/zinc/26/68/93/569266893.db2.gz YZXWFSSCLOITOH-NRFANRHFSA-N 1 1 404.579 4.613 50 0 HJAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000000638029 569281791 /nfs/dbraw/zinc/28/17/91/569281791.db2.gz KIYDXTJXEMXNJU-LOSJGSFVSA-N 1 1 422.488 4.808 50 0 HJAAMO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007855495 569314808 /nfs/dbraw/zinc/31/48/08/569314808.db2.gz KSVORZWBBDBETD-NRFANRHFSA-N 1 1 411.933 4.734 50 0 HJAAMO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007855495 569314809 /nfs/dbraw/zinc/31/48/09/569314809.db2.gz KSVORZWBBDBETD-NRFANRHFSA-N 1 1 411.933 4.734 50 0 HJAAMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007921718 569327182 /nfs/dbraw/zinc/32/71/82/569327182.db2.gz OONFLJARMUMZKP-QPPBQGQZSA-N 1 1 408.542 4.595 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002407859 569396344 /nfs/dbraw/zinc/39/63/44/569396344.db2.gz QMRMWHQBABTUIB-DNRSQYFGSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002407859 569396345 /nfs/dbraw/zinc/39/63/45/569396345.db2.gz QMRMWHQBABTUIB-DNRSQYFGSA-N 1 1 422.569 4.619 50 0 HJAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000002410289 569396754 /nfs/dbraw/zinc/39/67/54/569396754.db2.gz VRUITDXLWLLLDF-NQHRYMMQSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000002410289 569396756 /nfs/dbraw/zinc/39/67/56/569396756.db2.gz VRUITDXLWLLLDF-NQHRYMMQSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002417588 569397539 /nfs/dbraw/zinc/39/75/39/569397539.db2.gz CGUVAVYGSRWKBY-RPWUZVMVSA-N 1 1 410.452 4.938 50 0 HJAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000040112378 571170550 /nfs/dbraw/zinc/17/05/50/571170550.db2.gz LWDGMZVUMYYHDU-SFHVURJKSA-N 1 1 420.582 4.839 50 0 HJAAMO COc1ccc2c(c1)CCc1cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)sc1-2 ZINC000009253064 571242707 /nfs/dbraw/zinc/24/27/07/571242707.db2.gz QQPLCLVBAHRFSI-FQEVSTJZSA-N 1 1 422.550 4.682 50 0 HJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccc3Cl)n2)cc1 ZINC000009364626 571251809 /nfs/dbraw/zinc/25/18/09/571251809.db2.gz GEAMKANJVLOGFM-CYBMUJFWSA-N 1 1 401.919 4.761 50 0 HJAAMO Cc1ccc(CN2CCSc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc32)cc1 ZINC000004908382 132293202 /nfs/dbraw/zinc/29/32/02/132293202.db2.gz OIXOKOHSJIOSFC-FQEVSTJZSA-N 1 1 423.626 4.712 50 0 HJAAMO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044127037 518839568 /nfs/dbraw/zinc/83/95/68/518839568.db2.gz WKOAMSSNOQWQQY-DHIUTWEWSA-N 1 1 410.558 4.619 50 0 HJAAMO CCCCC[N@@H+](CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C(C)C ZINC000032935417 520175547 /nfs/dbraw/zinc/17/55/47/520175547.db2.gz KGRUGMWEOPNPDK-UHFFFAOYSA-N 1 1 421.585 4.621 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1 ZINC000043004965 524029063 /nfs/dbraw/zinc/02/90/63/524029063.db2.gz RLSWMEVSSCRSCG-INIZCTEOSA-N 1 1 413.468 4.752 50 0 HJAAMO COc1ccccc1-n1cnn(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c1=S ZINC000040149156 524305997 /nfs/dbraw/zinc/30/59/97/524305997.db2.gz SJNQCYSJDINZMQ-LJQANCHMSA-N 1 1 400.523 4.885 50 0 HJAAMO COc1ccccc1-n1cnn(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S ZINC000040149157 524306457 /nfs/dbraw/zinc/30/64/57/524306457.db2.gz SJNQCYSJDINZMQ-IBGZPJMESA-N 1 1 400.523 4.885 50 0 HJAAMO CSc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020481941 526149617 /nfs/dbraw/zinc/14/96/17/526149617.db2.gz CXBQKQSOANHKSF-UHFFFAOYSA-N 1 1 402.563 4.956 50 0 HJAAMO c1ccc(C[NH2+]Cc2cc3cc4c(cc3nc2OCC2CCCCC2)OCO4)nc1 ZINC000020535203 526471701 /nfs/dbraw/zinc/47/17/01/526471701.db2.gz IWJSCVSWRDATHM-UHFFFAOYSA-N 1 1 405.498 4.607 50 0 HJAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl ZINC000032870826 526486020 /nfs/dbraw/zinc/48/60/20/526486020.db2.gz FXFQYEQSGDBJFS-GOSISDBHSA-N 1 1 421.324 4.930 50 0 HJAAMO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1Cl ZINC000002273125 557333177 /nfs/dbraw/zinc/33/31/77/557333177.db2.gz DVKCMMXFPYHKNY-LJQANCHMSA-N 1 1 413.930 4.812 50 0 HJAAMO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1Cl ZINC000002273125 557333184 /nfs/dbraw/zinc/33/31/84/557333184.db2.gz DVKCMMXFPYHKNY-LJQANCHMSA-N 1 1 413.930 4.812 50 0 HJAAMO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716624 557430194 /nfs/dbraw/zinc/43/01/94/557430194.db2.gz YGPVRDVNBSBAIV-NHCUHLMSSA-N 1 1 424.491 4.788 50 0 HJAAMO COCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714569 557749843 /nfs/dbraw/zinc/74/98/43/557749843.db2.gz QEJFPLYAHUMQJW-UHFFFAOYSA-N 1 1 423.314 4.908 50 0 HJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1CO ZINC000019743367 558264023 /nfs/dbraw/zinc/26/40/23/558264023.db2.gz XUNBNGCSHSXQRB-GOSISDBHSA-N 1 1 421.459 4.691 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)c(C)c1 ZINC000011661029 558265059 /nfs/dbraw/zinc/26/50/59/558265059.db2.gz YYYBCMUDBKIIQW-GOSISDBHSA-N 1 1 414.521 4.782 50 0 HJAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011700149 558270353 /nfs/dbraw/zinc/27/03/53/558270353.db2.gz WYMLFKMVVWTZBB-IBGZPJMESA-N 1 1 413.480 4.810 50 0 HJAAMO Cc1c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1cccc(F)c1 ZINC000011817812 558281293 /nfs/dbraw/zinc/28/12/93/558281293.db2.gz OFFVAGDRJPBWDL-IBGZPJMESA-N 1 1 406.549 4.678 50 0 HJAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019798224 558284865 /nfs/dbraw/zinc/28/48/65/558284865.db2.gz XMUODDWWDMCQAL-SAPNQHFASA-N 1 1 412.533 4.642 50 0 HJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4ccccc4F)CC3)ccc21 ZINC000019831673 558291742 /nfs/dbraw/zinc/29/17/42/558291742.db2.gz NBHHDLDLYXNJDR-UHFFFAOYSA-N 1 1 415.512 4.912 50 0 HJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000011932818 558297737 /nfs/dbraw/zinc/29/77/37/558297737.db2.gz SAXVYEXGHAYWNG-UHFFFAOYSA-N 1 1 403.505 4.661 50 0 HJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000011932818 558297739 /nfs/dbraw/zinc/29/77/39/558297739.db2.gz SAXVYEXGHAYWNG-UHFFFAOYSA-N 1 1 403.505 4.661 50 0 HJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Nc1ccccc1F ZINC000011958730 558303756 /nfs/dbraw/zinc/30/37/56/558303756.db2.gz IMTXCDOAOULUOT-FQEVSTJZSA-N 1 1 413.537 4.643 50 0 HJAAMO Cc1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000020064894 558330262 /nfs/dbraw/zinc/33/02/62/558330262.db2.gz YQHAUKGHAPPBPO-UHFFFAOYSA-N 1 1 414.549 4.616 50 0 HJAAMO CCOc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020177707 558344393 /nfs/dbraw/zinc/34/43/93/558344393.db2.gz UXMZSZNJONIMDZ-UHFFFAOYSA-N 1 1 400.522 4.633 50 0 HJAAMO Cc1ccc(O)c([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000020418651 558361557 /nfs/dbraw/zinc/36/15/57/558361557.db2.gz FAJSMGMEFLGRSC-XMMPIXPASA-N 1 1 414.549 4.567 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)Nc1ccccc1F ZINC000012298079 558368185 /nfs/dbraw/zinc/36/81/85/558368185.db2.gz LYUZXKUTGHZMPM-LJQANCHMSA-N 1 1 406.505 4.642 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c1 ZINC000012298157 558368194 /nfs/dbraw/zinc/36/81/94/558368194.db2.gz SXXQKDCXEMIHHA-JOCHJYFZSA-N 1 1 402.494 5.000 50 0 HJAAMO Cc1ncsc1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000020454802 558368583 /nfs/dbraw/zinc/36/85/83/558368583.db2.gz HYMMYNIPDQHAGN-FQEVSTJZSA-N 1 1 412.603 4.534 50 0 HJAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012306653 558375343 /nfs/dbraw/zinc/37/53/43/558375343.db2.gz FYCOZDXJCRMPHO-HSZRJFAPSA-N 1 1 401.982 4.928 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000012308050 558376438 /nfs/dbraw/zinc/37/64/38/558376438.db2.gz DINPTYXSOTYZGG-NRFANRHFSA-N 1 1 401.510 4.608 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)Nc1ccccc1F ZINC000012320014 558381917 /nfs/dbraw/zinc/38/19/17/558381917.db2.gz KEHRUARAOKCADG-IBGZPJMESA-N 1 1 406.505 4.642 50 0 HJAAMO O=C(Cc1c(F)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509518 558382095 /nfs/dbraw/zinc/38/20/95/558382095.db2.gz WLTSAVQFRRRQMG-UHFFFAOYSA-N 1 1 422.931 4.955 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc(-c2ccccc2)no1 ZINC000012385637 558394486 /nfs/dbraw/zinc/39/44/86/558394486.db2.gz WZWZJEGZHXCSNU-HXUWFJFHSA-N 1 1 421.516 4.507 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000012387587 558396457 /nfs/dbraw/zinc/39/64/57/558396457.db2.gz SPTGTNQNBFXBCX-LJQANCHMSA-N 1 1 415.965 4.767 50 0 HJAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000012387800 558396696 /nfs/dbraw/zinc/39/66/96/558396696.db2.gz RHVHUEROIBGXJT-NRFANRHFSA-N 1 1 403.526 4.754 50 0 HJAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC000020774894 558411882 /nfs/dbraw/zinc/41/18/82/558411882.db2.gz WMXHZIYNTOUUQT-LJQANCHMSA-N 1 1 409.521 4.554 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)cc1OC ZINC000012704050 558448965 /nfs/dbraw/zinc/44/89/65/558448965.db2.gz PXVRGKHWKMKWIY-NRFANRHFSA-N 1 1 422.525 4.848 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)cc1OC ZINC000012704050 558448967 /nfs/dbraw/zinc/44/89/67/558448967.db2.gz PXVRGKHWKMKWIY-NRFANRHFSA-N 1 1 422.525 4.848 50 0 HJAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CCCC(F)(F)F)cc2)n1 ZINC000012711300 558452389 /nfs/dbraw/zinc/45/23/89/558452389.db2.gz KHJLIHYNCHCDSY-IBGZPJMESA-N 1 1 408.468 4.625 50 0 HJAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CCCC(F)(F)F)cc2)n1 ZINC000012711300 558452391 /nfs/dbraw/zinc/45/23/91/558452391.db2.gz KHJLIHYNCHCDSY-IBGZPJMESA-N 1 1 408.468 4.625 50 0 HJAAMO COC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C ZINC000004375734 558476546 /nfs/dbraw/zinc/47/65/46/558476546.db2.gz PNELKRCGFUQFQS-RDPSFJRHSA-N 1 1 400.607 4.688 50 0 HJAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000012836348 558478481 /nfs/dbraw/zinc/47/84/81/558478481.db2.gz PQLUVDWIUZYJNS-QGZVFWFLSA-N 1 1 423.479 4.749 50 0 HJAAMO C[N@@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000022913148 558520385 /nfs/dbraw/zinc/52/03/85/558520385.db2.gz SJRPTRKJRHVJEG-XMMPIXPASA-N 1 1 424.548 4.739 50 0 HJAAMO C[N@H+]1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000022913148 558520388 /nfs/dbraw/zinc/52/03/88/558520388.db2.gz SJRPTRKJRHVJEG-XMMPIXPASA-N 1 1 424.548 4.739 50 0 HJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000013636557 558554361 /nfs/dbraw/zinc/55/43/61/558554361.db2.gz CHPSTHGIFNZZRY-HXUWFJFHSA-N 1 1 414.569 4.529 50 0 HJAAMO CC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636811 558554674 /nfs/dbraw/zinc/55/46/74/558554674.db2.gz ZRGMBGUBVCLYCQ-SFHVURJKSA-N 1 1 424.976 4.633 50 0 HJAAMO CC[N@H+]1CC[C@@H](CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636811 558554676 /nfs/dbraw/zinc/55/46/76/558554676.db2.gz ZRGMBGUBVCLYCQ-SFHVURJKSA-N 1 1 424.976 4.633 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000014233185 558640476 /nfs/dbraw/zinc/64/04/76/558640476.db2.gz KIQLWFFSWDYZFI-INIZCTEOSA-N 1 1 417.868 4.602 50 0 HJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000025783711 558650150 /nfs/dbraw/zinc/65/01/50/558650150.db2.gz RWQOEKGAOSICQI-DQEYMECFSA-N 1 1 422.488 4.808 50 0 HJAAMO Cn1c(Cl)cnc1CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027903905 558684319 /nfs/dbraw/zinc/68/43/19/558684319.db2.gz WNNZRLCXCZZDNS-UHFFFAOYSA-N 1 1 421.397 4.773 50 0 HJAAMO CC(=O)c1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cs1 ZINC000015074983 558715626 /nfs/dbraw/zinc/71/56/26/558715626.db2.gz JDCXFAREDCSGSV-JLMWRMLUSA-N 1 1 414.958 4.542 50 0 HJAAMO CC(=O)c1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)cs1 ZINC000015074983 558715629 /nfs/dbraw/zinc/71/56/29/558715629.db2.gz JDCXFAREDCSGSV-JLMWRMLUSA-N 1 1 414.958 4.542 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1)c1cccc2ccccc21 ZINC000015078807 558717846 /nfs/dbraw/zinc/71/78/46/558717846.db2.gz IREXNJVAEBSEKX-QFIPXVFZSA-N 1 1 424.548 4.668 50 0 HJAAMO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000015310340 558731629 /nfs/dbraw/zinc/73/16/29/558731629.db2.gz WEUQCIONJNMBFM-FCHUYYIVSA-N 1 1 408.542 4.642 50 0 HJAAMO CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000015310340 558731631 /nfs/dbraw/zinc/73/16/31/558731631.db2.gz WEUQCIONJNMBFM-FCHUYYIVSA-N 1 1 408.542 4.642 50 0 HJAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000030955236 558746927 /nfs/dbraw/zinc/74/69/27/558746927.db2.gz HFPZXBVGHYPOMF-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955410 558747208 /nfs/dbraw/zinc/74/72/08/558747208.db2.gz MBKCWLLMKXNEQS-UHFFFAOYSA-N 1 1 418.541 4.930 50 0 HJAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn32)o1 ZINC000015780394 558753554 /nfs/dbraw/zinc/75/35/54/558753554.db2.gz MVVWSZIXMPCJFP-KRWDZBQOSA-N 1 1 420.517 4.662 50 0 HJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860516 558758392 /nfs/dbraw/zinc/75/83/92/558758392.db2.gz LCZASQIOYWIHAU-HXUWFJFHSA-N 1 1 422.525 4.514 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H](C)c1cccc(O)c1 ZINC000072308230 558769955 /nfs/dbraw/zinc/76/99/55/558769955.db2.gz BHAJQDWBFLDTGI-MRXNPFEDSA-N 1 1 423.538 4.728 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H](C)c1cccc(O)c1 ZINC000072308230 558769958 /nfs/dbraw/zinc/76/99/58/558769958.db2.gz BHAJQDWBFLDTGI-MRXNPFEDSA-N 1 1 423.538 4.728 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000005050111 558781272 /nfs/dbraw/zinc/78/12/72/558781272.db2.gz CQVKSBFSZWVBNP-UHFFFAOYSA-N 1 1 422.532 4.742 50 0 HJAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511253 558793180 /nfs/dbraw/zinc/79/31/80/558793180.db2.gz YGSOXJQNJIVTCR-KRWDZBQOSA-N 1 1 401.308 4.727 50 0 HJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000055074221 558871467 /nfs/dbraw/zinc/87/14/67/558871467.db2.gz KSRVQCQIJAWSBE-OAHLLOKOSA-N 1 1 405.445 4.805 50 0 HJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000055074221 558871470 /nfs/dbraw/zinc/87/14/70/558871470.db2.gz KSRVQCQIJAWSBE-OAHLLOKOSA-N 1 1 405.445 4.805 50 0 HJAAMO COc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000055167507 558874814 /nfs/dbraw/zinc/87/48/14/558874814.db2.gz REVVJNLQTONLCF-UHFFFAOYSA-N 1 1 411.565 4.886 50 0 HJAAMO COc1cccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1OC ZINC000019361673 558876379 /nfs/dbraw/zinc/87/63/79/558876379.db2.gz GRCKJLQFHWBPRN-UHFFFAOYSA-N 1 1 418.537 4.814 50 0 HJAAMO Cc1cccn2c(C[NH2+][C@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000055358363 558879993 /nfs/dbraw/zinc/87/99/93/558879993.db2.gz QGSJCZRIJRKWSA-QGZVFWFLSA-N 1 1 410.949 4.773 50 0 HJAAMO COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC000033140110 558892197 /nfs/dbraw/zinc/89/21/97/558892197.db2.gz OPQNIYYAOWMITF-UHFFFAOYSA-N 1 1 401.466 4.633 50 0 HJAAMO COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC000033140110 558892200 /nfs/dbraw/zinc/89/22/00/558892200.db2.gz OPQNIYYAOWMITF-UHFFFAOYSA-N 1 1 401.466 4.633 50 0 HJAAMO CCCCOCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000004682113 558894943 /nfs/dbraw/zinc/89/49/43/558894943.db2.gz JGKWPOGCHWONFR-UHFFFAOYSA-N 1 1 401.378 4.528 50 0 HJAAMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158046 558903604 /nfs/dbraw/zinc/90/36/04/558903604.db2.gz DYZQQHXIDHBYBB-OSPHWJPCSA-N 1 1 408.929 4.905 50 0 HJAAMO COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158047 558903662 /nfs/dbraw/zinc/90/36/62/558903662.db2.gz DYZQQHXIDHBYBB-BXKMTCNYSA-N 1 1 408.929 4.905 50 0 HJAAMO CCc1ccc(-c2noc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2)cc1 ZINC000058296568 558917144 /nfs/dbraw/zinc/91/71/44/558917144.db2.gz LSJJZQMSWFTRRR-UHFFFAOYSA-N 1 1 404.558 4.643 50 0 HJAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)C1 ZINC000019708097 558970193 /nfs/dbraw/zinc/97/01/93/558970193.db2.gz COQMIXLGACTVSD-UHFFFAOYSA-N 1 1 404.992 4.986 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)C1 ZINC000019708097 558970196 /nfs/dbraw/zinc/97/01/96/558970196.db2.gz COQMIXLGACTVSD-UHFFFAOYSA-N 1 1 404.992 4.986 50 0 HJAAMO Fc1ccc(-n2cc(C[N@@H+]3CCc4n[nH]cc4C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072480925 558984106 /nfs/dbraw/zinc/98/41/06/558984106.db2.gz LZZJFHWISHPJBE-UHFFFAOYSA-N 1 1 407.880 4.613 50 0 HJAAMO Fc1ccc(-n2cc(C[N@H+]3CCc4n[nH]cc4C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072480925 558984108 /nfs/dbraw/zinc/98/41/08/558984108.db2.gz LZZJFHWISHPJBE-UHFFFAOYSA-N 1 1 407.880 4.613 50 0 HJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000033318553 559055853 /nfs/dbraw/zinc/05/58/53/559055853.db2.gz AQSVYJNZFUIXLF-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318553 559055855 /nfs/dbraw/zinc/05/58/55/559055855.db2.gz AQSVYJNZFUIXLF-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000033318347 559055891 /nfs/dbraw/zinc/05/58/91/559055891.db2.gz LZNGUZROQDRZFD-UHFFFAOYSA-N 1 1 423.561 4.664 50 0 HJAAMO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)c1cc(Cl)ccc1Cl ZINC000085651607 559057214 /nfs/dbraw/zinc/05/72/14/559057214.db2.gz QZCGEANXFUKISD-UHFFFAOYSA-N 1 1 406.309 4.563 50 0 HJAAMO COc1ccc2nc3sc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3cc2c1 ZINC000004900815 559199507 /nfs/dbraw/zinc/19/95/07/559199507.db2.gz PRDYCXPQXXYJGG-IYBDPMFKSA-N 1 1 411.571 4.556 50 0 HJAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)sc3c2c1 ZINC000004939808 559212378 /nfs/dbraw/zinc/21/23/78/559212378.db2.gz AKOHFIRCIWWYPH-IYBDPMFKSA-N 1 1 412.555 4.699 50 0 HJAAMO c1ccc(-c2cnc(-c3ccncc3)nc2[C@H]2CCC[N@H+]([C@@H]3CCSC3)C2)cc1 ZINC000011786480 559259279 /nfs/dbraw/zinc/25/92/79/559259279.db2.gz IMFWWHSWTULOTP-LEWJYISDSA-N 1 1 402.567 4.891 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]34)C[C@H]2C)c1 ZINC000248121605 559263833 /nfs/dbraw/zinc/26/38/33/559263833.db2.gz SAOYGWVUOAMNQH-MOSDJLJKSA-N 1 1 422.613 4.820 50 0 HJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000007064893 560206627 /nfs/dbraw/zinc/20/66/27/560206627.db2.gz YQITXDDUZAGSSZ-YSZBQJHXSA-N 1 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMO COc1cccc([C@@H]2C[N@@H+](CC3CC3)C[C@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000248234726 560855241 /nfs/dbraw/zinc/85/52/41/560855241.db2.gz MBKSUAPLULOHLJ-AHWVRZQESA-N 1 1 420.597 4.919 50 0 HJAAMO S=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019842661 560876241 /nfs/dbraw/zinc/87/62/41/560876241.db2.gz SDLSSJKJSGPJRO-UHFFFAOYSA-N 1 1 402.563 4.759 50 0 HJAAMO CC(=O)N(c1nc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cs1)c1cccc(Cl)c1 ZINC000107537551 560896619 /nfs/dbraw/zinc/89/66/19/560896619.db2.gz UVPMWWOTYHEZMV-UXHICEINSA-N 1 1 418.994 4.540 50 0 HJAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000020241843 568596034 /nfs/dbraw/zinc/59/60/34/568596034.db2.gz ULONFGAEAAPTEP-UHFFFAOYSA-N 1 1 415.537 4.578 50 0 HJAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1cccs1)n1cccc1 ZINC000225410766 568635185 /nfs/dbraw/zinc/63/51/85/568635185.db2.gz SJTIFQJXXHCDHT-XZOQPEGZSA-N 1 1 421.610 4.900 50 0 HJAAMO COc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868287 568647242 /nfs/dbraw/zinc/64/72/42/568647242.db2.gz MDDIGKZIVUQBLA-RPWUZVMVSA-N 1 1 417.977 4.698 50 0 HJAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000095958286 568669520 /nfs/dbraw/zinc/66/95/20/568669520.db2.gz FRNPLODHEYPRMF-KRWDZBQOSA-N 1 1 412.534 4.554 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000021527973 568709683 /nfs/dbraw/zinc/70/96/83/568709683.db2.gz WPERIQUIOOMHQT-QHCPKHFHSA-N 1 1 403.570 4.531 50 0 HJAAMO COc1ccc(-c2csc3ncnc(NCC[N@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021643183 568727745 /nfs/dbraw/zinc/72/77/45/568727745.db2.gz NLHBLBDMFGBVTF-UHFFFAOYSA-N 1 1 416.550 4.837 50 0 HJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)C1 ZINC000096323686 568732759 /nfs/dbraw/zinc/73/27/59/568732759.db2.gz DCBBOSKEGIPFIM-INIZCTEOSA-N 1 1 410.493 4.562 50 0 HJAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003053976 568851557 /nfs/dbraw/zinc/85/15/57/568851557.db2.gz CLOVGCIBTZTVDD-OQKWZONESA-N 1 1 423.582 4.624 50 0 HJAAMO CCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000012582562 568864926 /nfs/dbraw/zinc/86/49/26/568864926.db2.gz ONHWENFQPLIXJJ-NRFANRHFSA-N 1 1 418.516 4.696 50 0 HJAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccccc1 ZINC000299762543 568873312 /nfs/dbraw/zinc/87/33/12/568873312.db2.gz NFTONVYMLKQLHO-HNNXBMFYSA-N 1 1 423.538 4.567 50 0 HJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000015669163 568960761 /nfs/dbraw/zinc/96/07/61/568960761.db2.gz JJZAXQUECDGJGI-UHFFFAOYSA-N 1 1 417.513 4.651 50 0 HJAAMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000008310273 568988574 /nfs/dbraw/zinc/98/85/74/568988574.db2.gz KTEKEKGGWIYASY-LJQANCHMSA-N 1 1 404.510 4.733 50 0 HJAAMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000008310273 568988575 /nfs/dbraw/zinc/98/85/75/568988575.db2.gz KTEKEKGGWIYASY-LJQANCHMSA-N 1 1 404.510 4.733 50 0 HJAAMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310427 568988711 /nfs/dbraw/zinc/98/87/11/568988711.db2.gz DDJYPJANQPKTHH-IBGZPJMESA-N 1 1 400.906 4.585 50 0 HJAAMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310427 568988712 /nfs/dbraw/zinc/98/87/12/568988712.db2.gz DDJYPJANQPKTHH-IBGZPJMESA-N 1 1 400.906 4.585 50 0 HJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559905 569044914 /nfs/dbraw/zinc/04/49/14/569044914.db2.gz RFDDFZGOFYKMOM-SFHVURJKSA-N 1 1 424.976 4.732 50 0 HJAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096159 569089717 /nfs/dbraw/zinc/08/97/17/569089717.db2.gz QOLSOHYZQZUKFD-FQEVSTJZSA-N 1 1 421.965 4.645 50 0 HJAAMO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006746156 569108274 /nfs/dbraw/zinc/10/82/74/569108274.db2.gz GAVXDGMLAJKKHD-INIZCTEOSA-N 1 1 417.303 4.664 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306775 569129409 /nfs/dbraw/zinc/12/94/09/569129409.db2.gz GMXFOFJFKOXHSR-IBGZPJMESA-N 1 1 411.521 5.000 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)C1CCCCC1 ZINC000064967979 569137883 /nfs/dbraw/zinc/13/78/83/569137883.db2.gz CCTWFDIDWMNWNH-UHFFFAOYSA-N 1 1 405.542 4.803 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036346662 569143834 /nfs/dbraw/zinc/14/38/34/569143834.db2.gz QAVPNDIWTJCJBD-INIZCTEOSA-N 1 1 415.484 4.844 50 0 HJAAMO COc1cccc(C[N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000006937198 569185179 /nfs/dbraw/zinc/18/51/79/569185179.db2.gz RDKYIQXDMXFMCP-JYFHCDHNSA-N 1 1 405.538 4.603 50 0 HJAAMO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@H]1c1cccc(Cl)c1 ZINC000170612493 569246411 /nfs/dbraw/zinc/24/64/11/569246411.db2.gz IWSCYYQCEPLFNM-GOSISDBHSA-N 1 1 407.695 4.730 50 0 HJAAMO Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)on1 ZINC000013595652 569256551 /nfs/dbraw/zinc/25/65/51/569256551.db2.gz CRUYHZKRHADSCB-UHFFFAOYSA-N 1 1 410.524 4.561 50 0 HJAAMO Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)on1 ZINC000013595652 569256552 /nfs/dbraw/zinc/25/65/52/569256552.db2.gz CRUYHZKRHADSCB-UHFFFAOYSA-N 1 1 410.524 4.561 50 0 HJAAMO O=c1cc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nc2ccc(Cl)cn12 ZINC000089780867 569264218 /nfs/dbraw/zinc/26/42/18/569264218.db2.gz PYSSVLYWAAARIG-UHFFFAOYSA-N 1 1 416.912 4.575 50 0 HJAAMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnoc1-c1ccc(Cl)cc1 ZINC000089958959 569269961 /nfs/dbraw/zinc/26/99/61/569269961.db2.gz MHUMNKBNFNQVHK-UHFFFAOYSA-N 1 1 413.905 4.854 50 0 HJAAMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnoc1-c1ccc(Cl)cc1 ZINC000089958959 569269962 /nfs/dbraw/zinc/26/99/62/569269962.db2.gz MHUMNKBNFNQVHK-UHFFFAOYSA-N 1 1 413.905 4.854 50 0 HJAAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c(Cl)c1 ZINC000089969253 569270404 /nfs/dbraw/zinc/27/04/04/569270404.db2.gz RHMZBSZCTSPJSF-UHFFFAOYSA-N 1 1 400.828 4.828 50 0 HJAAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c(Cl)c1 ZINC000089969253 569270406 /nfs/dbraw/zinc/27/04/06/569270406.db2.gz RHMZBSZCTSPJSF-UHFFFAOYSA-N 1 1 400.828 4.828 50 0 HJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444131 569286034 /nfs/dbraw/zinc/28/60/34/569286034.db2.gz AIWFZJWTBLAVSI-VGSWGCGISA-N 1 1 402.494 4.775 50 0 HJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444131 569286036 /nfs/dbraw/zinc/28/60/36/569286036.db2.gz AIWFZJWTBLAVSI-VGSWGCGISA-N 1 1 402.494 4.775 50 0 HJAAMO COc1ccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(OC)c1OC ZINC000007813551 569312383 /nfs/dbraw/zinc/31/23/83/569312383.db2.gz QETWIIATWSNKQG-UHFFFAOYSA-N 1 1 420.509 4.597 50 0 HJAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(OC)c1OC ZINC000007813551 569312385 /nfs/dbraw/zinc/31/23/85/569312385.db2.gz QETWIIATWSNKQG-UHFFFAOYSA-N 1 1 420.509 4.597 50 0 HJAAMO CC[N@@H+](C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12)C[C@@](C)(O)c1ccccc1 ZINC000012659888 569402558 /nfs/dbraw/zinc/40/25/58/569402558.db2.gz JTMYRQKZNPTWKI-ZLZPBVFJSA-N 1 1 411.586 4.674 50 0 biogenic HJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(Br)cc2F)cc1 ZINC000079026686 569424815 /nfs/dbraw/zinc/42/48/15/569424815.db2.gz LIRZXBIYIQSFMP-LBPRGKRZSA-N 1 1 402.267 4.573 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000079188927 569429061 /nfs/dbraw/zinc/42/90/61/569429061.db2.gz OXWBMBBPEHDIFG-BJKOFHAPSA-N 1 1 401.554 4.684 50 0 biogenic HJAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1)C1CCCCC1 ZINC000040103374 571163861 /nfs/dbraw/zinc/16/38/61/571163861.db2.gz UUWXAXFSQYCDJN-UHFFFAOYSA-N 1 1 422.573 4.511 50 0 HJAAMO CN1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000040103365 571163885 /nfs/dbraw/zinc/16/38/85/571163885.db2.gz AETPPXIRWVQIAR-VWLOTQADSA-N 1 1 420.601 4.972 50 0 HJAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1csc(-c2ccco2)n1 ZINC000040107150 571167590 /nfs/dbraw/zinc/16/75/90/571167590.db2.gz FLTFKBBTWHPKBZ-KRWDZBQOSA-N 1 1 409.555 4.636 50 0 HJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000040158644 571205127 /nfs/dbraw/zinc/20/51/27/571205127.db2.gz XXGOVYJGPKSPOK-INIZCTEOSA-N 1 1 403.473 4.984 50 0 HJAAMO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000245328776 571225546 /nfs/dbraw/zinc/22/55/46/571225546.db2.gz PNJWCAYMOOHPGG-NLFFAJNJSA-N 1 1 419.569 4.864 50 0 HJAAMO O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000607721 132229019 /nfs/dbraw/zinc/22/90/19/132229019.db2.gz ZQTOZLYOIRKCPL-KRWDZBQOSA-N 1 1 413.974 4.639 50 0 in-man HJAAMO CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000001865842 132248303 /nfs/dbraw/zinc/24/83/03/132248303.db2.gz YKMCNAFQECIAMG-UHFFFAOYSA-N 1 1 401.938 4.523 50 0 HJAAMO C[NH+]1CCN(c2nc(-c3ccccc3)nc3c2sc(=S)n3-c2ccccc2)CC1 ZINC000004191384 132272690 /nfs/dbraw/zinc/27/26/90/132272690.db2.gz WKQVGRMXBJMGQP-UHFFFAOYSA-N 1 1 419.579 4.630 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc(OC)c1 ZINC000042628397 522376571 /nfs/dbraw/zinc/37/65/71/522376571.db2.gz PCUIPVABADUAKV-INIZCTEOSA-N 1 1 413.468 4.752 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000043041586 524027933 /nfs/dbraw/zinc/02/79/33/524027933.db2.gz KYLMIVWZCQBVGT-MRXNPFEDSA-N 1 1 413.468 4.752 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000056908446 526756398 /nfs/dbraw/zinc/75/63/98/526756398.db2.gz GTEBYFPFRNCTFQ-SFHVURJKSA-N 1 1 406.448 4.573 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000056908446 526756401 /nfs/dbraw/zinc/75/64/01/526756401.db2.gz GTEBYFPFRNCTFQ-SFHVURJKSA-N 1 1 406.448 4.573 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000000635833 557029595 /nfs/dbraw/zinc/02/95/95/557029595.db2.gz XRTBKCWHMCZXPD-PKTZIBPZSA-N 1 1 414.415 4.769 50 0 HJAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1 ZINC000034681851 557383686 /nfs/dbraw/zinc/38/36/86/557383686.db2.gz RKAIYZKXZLILJX-UHFFFAOYSA-N 1 1 408.590 4.902 50 0 HJAAMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004853923 557606650 /nfs/dbraw/zinc/60/66/50/557606650.db2.gz IDNPDJUMNFBNLJ-LOSJGSFVSA-N 1 1 421.504 4.557 50 0 HJAAMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022917584 558260718 /nfs/dbraw/zinc/26/07/18/558260718.db2.gz BSDMSCBRTNRAGS-UHFFFAOYSA-N 1 1 419.956 4.910 50 0 HJAAMO Cn1cc(C[N@H+](C)Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cn1 ZINC000011817855 558281242 /nfs/dbraw/zinc/28/12/42/558281242.db2.gz MFUHKCNCVHDYOT-UHFFFAOYSA-N 1 1 409.896 4.697 50 0 HJAAMO Cn1cc(C[N@@H+](C)Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cn1 ZINC000011817855 558281244 /nfs/dbraw/zinc/28/12/44/558281244.db2.gz MFUHKCNCVHDYOT-UHFFFAOYSA-N 1 1 409.896 4.697 50 0 HJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc(Cl)c1O ZINC000011873377 558291130 /nfs/dbraw/zinc/29/11/30/558291130.db2.gz YPAXPFPIUYDQCM-MRXNPFEDSA-N 1 1 405.947 4.871 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc(Cl)c1O ZINC000011873377 558291132 /nfs/dbraw/zinc/29/11/32/558291132.db2.gz YPAXPFPIUYDQCM-MRXNPFEDSA-N 1 1 405.947 4.871 50 0 HJAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000019839865 558293656 /nfs/dbraw/zinc/29/36/56/558293656.db2.gz SDCZWPXSVIYVMO-QFIPXVFZSA-N 1 1 405.542 4.939 50 0 HJAAMO Fc1ccccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019841089 558294298 /nfs/dbraw/zinc/29/42/98/558294298.db2.gz QHQVTFPMGJUQSL-UHFFFAOYSA-N 1 1 405.542 4.930 50 0 HJAAMO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@@H+](CCCC(F)(F)F)CCO2 ZINC000011963717 558303840 /nfs/dbraw/zinc/30/38/40/558303840.db2.gz ZHHMYVGFXUHPPK-OAQYLSRUSA-N 1 1 409.448 4.510 50 0 HJAAMO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](CCCC(F)(F)F)CCO2 ZINC000011963717 558303842 /nfs/dbraw/zinc/30/38/42/558303842.db2.gz ZHHMYVGFXUHPPK-OAQYLSRUSA-N 1 1 409.448 4.510 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1C ZINC000012076092 558319919 /nfs/dbraw/zinc/31/99/19/558319919.db2.gz LPAHRBWAFCZNEP-SFHVURJKSA-N 1 1 416.512 4.590 50 0 HJAAMO Cc1ccc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000012094607 558325047 /nfs/dbraw/zinc/32/50/47/558325047.db2.gz UBFOTUJDDHQVLO-UHFFFAOYSA-N 1 1 415.493 4.861 50 0 HJAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012208705 558353557 /nfs/dbraw/zinc/35/35/57/558353557.db2.gz VDWNKLXSUYVXOE-UHFFFAOYSA-N 1 1 403.505 4.742 50 0 HJAAMO COc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020351353 558356671 /nfs/dbraw/zinc/35/66/71/558356671.db2.gz QYEHVNGIBZSETM-UHFFFAOYSA-N 1 1 402.563 4.778 50 0 HJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020407710 558360429 /nfs/dbraw/zinc/36/04/29/558360429.db2.gz SGKFEILYZBLODV-UHFFFAOYSA-N 1 1 422.532 4.563 50 0 HJAAMO C(c1nc2c(s1)CCCC2)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298025 558367888 /nfs/dbraw/zinc/36/78/88/558367888.db2.gz VMUIGPHRNFSGTG-OAQYLSRUSA-N 1 1 417.663 4.658 50 0 HJAAMO COc1cc(Cl)c(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1OC ZINC000012301536 558371196 /nfs/dbraw/zinc/37/11/96/558371196.db2.gz UVPMYYAWRMIFHU-CYBMUJFWSA-N 1 1 403.885 4.841 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)cc1Cl ZINC000012303353 558372938 /nfs/dbraw/zinc/37/29/38/558372938.db2.gz KOWPFFHQVSGCHN-QGZVFWFLSA-N 1 1 401.938 4.683 50 0 HJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)n1 ZINC000012386288 558395059 /nfs/dbraw/zinc/39/50/59/558395059.db2.gz LVOODWXRZHHATI-QGZVFWFLSA-N 1 1 403.567 4.714 50 0 HJAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)n1 ZINC000012386288 558395061 /nfs/dbraw/zinc/39/50/61/558395061.db2.gz LVOODWXRZHHATI-QGZVFWFLSA-N 1 1 403.567 4.714 50 0 HJAAMO CN(C(=O)c1csc(-c2cccs2)n1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012386403 558395261 /nfs/dbraw/zinc/39/52/61/558395261.db2.gz MHWPPPHYFRRGEW-GOSISDBHSA-N 1 1 423.607 4.575 50 0 HJAAMO C=Cc1ccc(C(=O)N(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)cc1 ZINC000012439333 558410844 /nfs/dbraw/zinc/41/08/44/558410844.db2.gz GYBSSQCOHZSJCR-HSZRJFAPSA-N 1 1 406.570 4.755 50 0 HJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000012442683 558412609 /nfs/dbraw/zinc/41/26/09/558412609.db2.gz VDOVRAAWZVZWPS-GOSISDBHSA-N 1 1 404.432 4.759 50 0 HJAAMO CCOc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000012448011 558415152 /nfs/dbraw/zinc/41/51/52/558415152.db2.gz JSNXODXQZWCVPM-UHFFFAOYSA-N 1 1 423.601 4.843 50 0 HJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1C1Cc2ccccc2C1 ZINC000012448410 558415426 /nfs/dbraw/zinc/41/54/26/558415426.db2.gz SEEGBRRVDRHTMR-RUZDIDTESA-N 1 1 413.521 4.834 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000012796051 558468874 /nfs/dbraw/zinc/46/88/74/558468874.db2.gz RYSXJEYLVAPLNE-QHCPKHFHSA-N 1 1 420.513 4.699 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000012805202 558473156 /nfs/dbraw/zinc/47/31/56/558473156.db2.gz SFGWBQJSOAKQKE-OAQYLSRUSA-N 1 1 423.513 4.880 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000012805202 558473158 /nfs/dbraw/zinc/47/31/58/558473158.db2.gz SFGWBQJSOAKQKE-OAQYLSRUSA-N 1 1 423.513 4.880 50 0 HJAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 ZINC000022381630 558484745 /nfs/dbraw/zinc/48/47/45/558484745.db2.gz BRYSAOUPWXDNEP-INIZCTEOSA-N 1 1 422.312 4.593 50 0 HJAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000013143237 558522459 /nfs/dbraw/zinc/52/24/59/558522459.db2.gz HFDQYYVFVKIRDR-CALCHBBNSA-N 1 1 402.473 4.840 50 0 HJAAMO COc1ccccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013556491 558540101 /nfs/dbraw/zinc/54/01/01/558540101.db2.gz IJLFPQDXCYIPKB-UHFFFAOYSA-N 1 1 417.578 4.799 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004455345 558589985 /nfs/dbraw/zinc/58/99/85/558589985.db2.gz AMADQXBLYWTPAX-NRFANRHFSA-N 1 1 406.954 4.964 50 0 HJAAMO O[C@H](COc1cccc(Br)c1)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000014238186 558642619 /nfs/dbraw/zinc/64/26/19/558642619.db2.gz KEUWWMPPVFXOSW-INIZCTEOSA-N 1 1 422.344 4.546 50 0 HJAAMO O[C@H](COc1cccc(Br)c1)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000014238186 558642622 /nfs/dbraw/zinc/64/26/22/558642622.db2.gz KEUWWMPPVFXOSW-INIZCTEOSA-N 1 1 422.344 4.546 50 0 HJAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 ZINC000014971619 558687420 /nfs/dbraw/zinc/68/74/20/558687420.db2.gz FVMRFVVMUJEFJC-JOCHJYFZSA-N 1 1 416.569 4.504 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1C ZINC000014981415 558691895 /nfs/dbraw/zinc/69/18/95/558691895.db2.gz LAHGGFHWALMZKV-NRFANRHFSA-N 1 1 401.554 4.867 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)o1 ZINC000015061806 558704725 /nfs/dbraw/zinc/70/47/25/558704725.db2.gz MMSGTTUCPJPQJK-INIZCTEOSA-N 1 1 420.937 4.719 50 0 HJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc(F)cc3F)[N@H+]3CCC[C@@]123 ZINC000015063447 558706142 /nfs/dbraw/zinc/70/61/42/558706142.db2.gz VOWUDPHMXDOUDY-LVWPNOBMSA-N 1 1 402.872 4.556 50 0 HJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc(F)cc3F)[N@@H+]3CCC[C@@]123 ZINC000015063447 558706144 /nfs/dbraw/zinc/70/61/44/558706144.db2.gz VOWUDPHMXDOUDY-LVWPNOBMSA-N 1 1 402.872 4.556 50 0 HJAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000029192107 558711687 /nfs/dbraw/zinc/71/16/87/558711687.db2.gz ZXBFJLNHOXNBET-UHFFFAOYSA-N 1 1 409.917 4.523 50 0 HJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)cc(OC)c1 ZINC000015070551 558712580 /nfs/dbraw/zinc/71/25/80/558712580.db2.gz GFHCNDRVOIKEPP-INIZCTEOSA-N 1 1 418.484 4.613 50 0 HJAAMO Cn1cc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000015077365 558717174 /nfs/dbraw/zinc/71/71/74/558717174.db2.gz QRQJHFDNAXBVLP-UHFFFAOYSA-N 1 1 411.509 4.710 50 0 HJAAMO Cn1cc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000015077365 558717176 /nfs/dbraw/zinc/71/71/76/558717176.db2.gz QRQJHFDNAXBVLP-UHFFFAOYSA-N 1 1 411.509 4.710 50 0 HJAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000029636680 558718084 /nfs/dbraw/zinc/71/80/84/558718084.db2.gz FKZLWQJORANYAG-UHFFFAOYSA-N 1 1 421.570 4.835 50 0 HJAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000015582127 558744589 /nfs/dbraw/zinc/74/45/89/558744589.db2.gz SVWLLOQKXSAYFA-UHFFFAOYSA-N 1 1 402.311 4.740 50 0 HJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860518 558758362 /nfs/dbraw/zinc/75/83/62/558758362.db2.gz WEZDWBWYWZHIHK-LJQANCHMSA-N 1 1 422.525 4.514 50 0 HJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019223539 558852269 /nfs/dbraw/zinc/85/22/69/558852269.db2.gz OYDXHJLIOKNNFH-INIZCTEOSA-N 1 1 411.452 4.506 50 0 HJAAMO C[C@H]1CCc2sc3ncnc(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)c3c2C1 ZINC000054360505 558867663 /nfs/dbraw/zinc/86/76/63/558867663.db2.gz RHKBPTWTEQWDCS-HNNXBMFYSA-N 1 1 412.990 4.792 50 0 HJAAMO Cc1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052544 558870577 /nfs/dbraw/zinc/87/05/77/558870577.db2.gz YXBSQLHGRIMWHO-DEOSSOPVSA-N 1 1 409.551 4.738 50 0 HJAAMO Cc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052544 558870581 /nfs/dbraw/zinc/87/05/81/558870581.db2.gz YXBSQLHGRIMWHO-DEOSSOPVSA-N 1 1 409.551 4.738 50 0 HJAAMO CCOc1ccccc1-c1cc(C(=O)N2CC[NH+](CC)CC2)c2cc(Cl)ccc2n1 ZINC000055070036 558871511 /nfs/dbraw/zinc/87/15/11/558871511.db2.gz GVGGHYCMUGNBBG-UHFFFAOYSA-N 1 1 423.944 4.732 50 0 HJAAMO O[C@H](CNCC1([NH+]2CCCCC2)CCCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000019360361 558876119 /nfs/dbraw/zinc/87/61/19/558876119.db2.gz UJFBNOXTOHJJBD-RUZDIDTESA-N 1 1 422.613 4.872 50 0 HJAAMO Cc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358541 558879942 /nfs/dbraw/zinc/87/99/42/558879942.db2.gz ZUNNFIIFFBAUJM-GOSISDBHSA-N 1 1 401.489 4.970 50 0 HJAAMO Cc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358541 558879944 /nfs/dbraw/zinc/87/99/44/558879944.db2.gz ZUNNFIIFFBAUJM-GOSISDBHSA-N 1 1 401.489 4.970 50 0 HJAAMO CC(=O)N1CCC([N@@H+](Cc2ccc3c(c2)CCO3)Cc2cccc3ccccc32)CC1 ZINC000058003003 558893763 /nfs/dbraw/zinc/89/37/63/558893763.db2.gz FAJRDHRJTOXLOZ-UHFFFAOYSA-N 1 1 414.549 4.788 50 0 HJAAMO CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@@H](C)c1ccccc1Br ZINC000059121809 558932112 /nfs/dbraw/zinc/93/21/12/558932112.db2.gz UAGKGYJEOPKBLT-INIZCTEOSA-N 1 1 414.347 4.739 50 0 HJAAMO CCC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@@H](C)c1ccccc1Br ZINC000059121809 558932115 /nfs/dbraw/zinc/93/21/15/558932115.db2.gz UAGKGYJEOPKBLT-INIZCTEOSA-N 1 1 414.347 4.739 50 0 HJAAMO CC(C)c1ncc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1 ZINC000072424273 558978689 /nfs/dbraw/zinc/97/86/89/558978689.db2.gz KJHAZZMBUJFPMD-UHFFFAOYSA-N 1 1 419.495 4.649 50 0 HJAAMO FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4ncc[nH]4)CC3)ccnc21 ZINC000072480372 558984008 /nfs/dbraw/zinc/98/40/08/558984008.db2.gz MUQOGEKMIXLPEP-UHFFFAOYSA-N 1 1 415.463 4.612 50 0 HJAAMO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004732252 559032710 /nfs/dbraw/zinc/03/27/10/559032710.db2.gz GWIBSXPSFFLKFL-OAQYLSRUSA-N 1 1 408.489 4.589 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004732252 559032711 /nfs/dbraw/zinc/03/27/11/559032711.db2.gz GWIBSXPSFFLKFL-OAQYLSRUSA-N 1 1 408.489 4.589 50 0 HJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]1 ZINC000033318340 559055817 /nfs/dbraw/zinc/05/58/17/559055817.db2.gz AAFNFXTVBBRHOE-UHFFFAOYSA-N 1 1 401.514 4.700 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318340 559055818 /nfs/dbraw/zinc/05/58/18/559055818.db2.gz AAFNFXTVBBRHOE-UHFFFAOYSA-N 1 1 401.514 4.700 50 0 HJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785551 559063755 /nfs/dbraw/zinc/06/37/55/559063755.db2.gz UCRIIXJATPHSML-YPCDYVTLSA-N 1 1 408.586 4.732 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314244 559115851 /nfs/dbraw/zinc/11/58/51/559115851.db2.gz SPOABIBBNIGJLC-ATIYNZHBSA-N 1 1 414.549 4.696 50 0 HJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939368 559211822 /nfs/dbraw/zinc/21/18/22/559211822.db2.gz RWFPGRFMTJDEPV-MRXNPFEDSA-N 1 1 412.555 4.701 50 0 HJAAMO Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000011914571 559267573 /nfs/dbraw/zinc/26/75/73/559267573.db2.gz YVQQGOZMCHMKBC-OAQYLSRUSA-N 1 1 400.950 4.679 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@H+](Cc3cccc(O)c3)C3CCC(O)CC3)n2)cc1 ZINC000078743003 560540774 /nfs/dbraw/zinc/54/07/74/560540774.db2.gz YBQBGZYSNZLBNT-UHFFFAOYSA-N 1 1 421.541 4.871 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@@H+](Cc3cccc(O)c3)C3CCC(O)CC3)n2)cc1 ZINC000078743003 560540776 /nfs/dbraw/zinc/54/07/76/560540776.db2.gz YBQBGZYSNZLBNT-UHFFFAOYSA-N 1 1 421.541 4.871 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000045974079 568422791 /nfs/dbraw/zinc/42/27/91/568422791.db2.gz KQGZJBPIKRAPGE-UHFFFAOYSA-N 1 1 413.521 4.604 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012326003 568471790 /nfs/dbraw/zinc/47/17/90/568471790.db2.gz ZTPJKFJBBDRJOH-FQEVSTJZSA-N 1 1 404.514 4.711 50 0 HJAAMO CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012326003 568471792 /nfs/dbraw/zinc/47/17/92/568471792.db2.gz ZTPJKFJBBDRJOH-FQEVSTJZSA-N 1 1 404.514 4.711 50 0 HJAAMO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Cl ZINC000220964832 568509158 /nfs/dbraw/zinc/50/91/58/568509158.db2.gz FBVOBYUBOOTESU-UHFFFAOYSA-N 1 1 404.941 4.930 50 0 HJAAMO COc1cc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc(OC)c1 ZINC000033140105 568511425 /nfs/dbraw/zinc/51/14/25/568511425.db2.gz NSKVENQJILABJM-UHFFFAOYSA-N 1 1 403.482 4.864 50 0 HJAAMO COc1cc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc(OC)c1 ZINC000033140105 568511427 /nfs/dbraw/zinc/51/14/27/568511427.db2.gz NSKVENQJILABJM-UHFFFAOYSA-N 1 1 403.482 4.864 50 0 HJAAMO Cc1nc([C@@H](C)[N@H+]2CCC[C@@](O)(c3ccccc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000241383462 568731169 /nfs/dbraw/zinc/73/11/69/568731169.db2.gz MVMCQKXKAMRFEU-KOSHJBKYSA-N 1 1 410.945 5.738 50 0 HJAAMO Cc1cc2[nH]c(C(=O)Nc3cc(C)ccc3Cl)c(C[NH+]3CCOCC3)c2s1 ZINC000096363790 568739521 /nfs/dbraw/zinc/73/95/21/568739521.db2.gz WQFLEXBKXFQJPT-UHFFFAOYSA-N 1 1 403.935 4.584 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000021718195 568750477 /nfs/dbraw/zinc/75/04/77/568750477.db2.gz NBWZUGGSDDGZMC-IYBDPMFKSA-N 1 1 408.384 4.671 50 0 HJAAMO CCOc1ccc(N2C3=CCCCC[N@H+]3[C@@H](C)[C@]2(O)c2ccc(OCC)cc2)cc1 ZINC000096563788 568760567 /nfs/dbraw/zinc/76/05/67/568760567.db2.gz NTWMFFYUARFUFQ-DFBJGRDBSA-N 1 1 408.542 4.865 50 0 HJAAMO CCOc1ccc(N2C3=CCCCC[N@H+]3[C@H](C)[C@]2(O)c2ccc(OCC)cc2)cc1 ZINC000096563791 568760623 /nfs/dbraw/zinc/76/06/23/568760623.db2.gz NTWMFFYUARFUFQ-CLOONOSVSA-N 1 1 408.542 4.865 50 0 HJAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[N@H+](C)C3CCCCC3)c2c1 ZINC000021934451 568761855 /nfs/dbraw/zinc/76/18/55/568761855.db2.gz NBAUNDZPHLSVKT-UHFFFAOYSA-N 1 1 402.542 4.600 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000096791939 568764786 /nfs/dbraw/zinc/76/47/86/568764786.db2.gz SWOXSJBTNZJHMD-IBGZPJMESA-N 1 1 414.299 4.901 50 0 HJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230004752 568801204 /nfs/dbraw/zinc/80/12/04/568801204.db2.gz WKPACDBSEVPPRR-WMZOPIPTSA-N 1 1 411.596 4.901 50 0 HJAAMO CCOc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1OC ZINC000057406493 568832757 /nfs/dbraw/zinc/83/27/57/568832757.db2.gz DAEPHEOPQQALQI-UHFFFAOYSA-N 1 1 401.890 4.794 50 0 HJAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(CO)[C@H]12 ZINC000299804271 568876899 /nfs/dbraw/zinc/87/68/99/568876899.db2.gz NMFWDNZLNHRNAT-OHOCWLTGSA-N 1 1 413.646 4.627 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086892 568940581 /nfs/dbraw/zinc/94/05/81/568940581.db2.gz QLTSTYOFYNQIFD-UHFFFAOYSA-N 1 1 406.935 4.597 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086892 568940583 /nfs/dbraw/zinc/94/05/83/568940583.db2.gz QLTSTYOFYNQIFD-UHFFFAOYSA-N 1 1 406.935 4.597 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000005043946 568969295 /nfs/dbraw/zinc/96/92/95/568969295.db2.gz MFMHHJWWDUFITB-KKSFZXQISA-N 1 1 413.537 4.696 50 0 HJAAMO CCc1cc([C@H](c2ccsc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546485 569000192 /nfs/dbraw/zinc/00/01/92/569000192.db2.gz DEAUITIDXKOLIH-IBGZPJMESA-N 1 1 415.584 4.554 50 0 HJAAMO Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000012823531 569007355 /nfs/dbraw/zinc/00/73/55/569007355.db2.gz JPSDOKNIBDSYEM-UHFFFAOYSA-N 1 1 403.530 4.593 50 0 HJAAMO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012891290 569020038 /nfs/dbraw/zinc/02/00/38/569020038.db2.gz UDOJVDYYJWRAHT-QZTJIDSGSA-N 1 1 402.494 4.604 50 0 HJAAMO O=c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc3c(cc2o1)CCCC3 ZINC000054106021 569057562 /nfs/dbraw/zinc/05/75/62/569057562.db2.gz CEWKSVLCWCPSNV-UHFFFAOYSA-N 1 1 408.929 4.647 50 0 HJAAMO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000006496389 569061358 /nfs/dbraw/zinc/06/13/58/569061358.db2.gz BLMHFKJPWAWPAV-AUJBFMOVSA-N 1 1 417.593 4.952 50 0 HJAAMO CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000026954204 569061597 /nfs/dbraw/zinc/06/15/97/569061597.db2.gz URBCUYYNEVGHHK-UHFFFAOYSA-N 1 1 419.575 4.727 50 0 HJAAMO CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000026954204 569061598 /nfs/dbraw/zinc/06/15/98/569061598.db2.gz URBCUYYNEVGHHK-UHFFFAOYSA-N 1 1 419.575 4.727 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657575 569077196 /nfs/dbraw/zinc/07/71/96/569077196.db2.gz CNLFVSJSOBDCPS-QGZVFWFLSA-N 1 1 413.562 4.890 50 0 HJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095329 569089917 /nfs/dbraw/zinc/08/99/17/569089917.db2.gz BMCJNEFUYVUIKF-XMMPIXPASA-N 1 1 405.538 4.754 50 0 biogenic HJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1 ZINC000064800817 569097545 /nfs/dbraw/zinc/09/75/45/569097545.db2.gz DPXWVTWRVXSKRP-UHFFFAOYSA-N 1 1 401.514 4.998 50 0 HJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064800932 569097575 /nfs/dbraw/zinc/09/75/75/569097575.db2.gz RUBLLEUJPJSJTA-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000036302780 569128377 /nfs/dbraw/zinc/12/83/77/569128377.db2.gz NDJSELZCSQJOES-GOSISDBHSA-N 1 1 421.541 4.581 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000036302780 569128379 /nfs/dbraw/zinc/12/83/79/569128379.db2.gz NDJSELZCSQJOES-GOSISDBHSA-N 1 1 421.541 4.581 50 0 HJAAMO C[N@@H+]([C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C1CCCCC1 ZINC000006809545 569133471 /nfs/dbraw/zinc/13/34/71/569133471.db2.gz VGUHAKIUPROFNV-NRFANRHFSA-N 1 1 406.979 4.624 50 0 HJAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000036345281 569143247 /nfs/dbraw/zinc/14/32/47/569143247.db2.gz ZXZVLPPWXGZTGL-CVDCTZTESA-N 1 1 405.542 4.556 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036346227 569143506 /nfs/dbraw/zinc/14/35/06/569143506.db2.gz NWQZCYBBRJKBCN-GOSISDBHSA-N 1 1 411.521 4.951 50 0 HJAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877315 569164087 /nfs/dbraw/zinc/16/40/87/569164087.db2.gz GRCBQZAGISYWQH-UHFFFAOYSA-N 1 1 401.913 4.781 50 0 HJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000170596698 569241805 /nfs/dbraw/zinc/24/18/05/569241805.db2.gz MUENPFGDQOVHMI-HSZRJFAPSA-N 1 1 407.558 4.851 50 0 HJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CCC3CCCCC3)CC2)[nH+]1 ZINC000017012176 569271352 /nfs/dbraw/zinc/27/13/52/569271352.db2.gz QWAZVCJYNBXUNE-UHFFFAOYSA-N 1 1 407.562 4.538 50 0 HJAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](Cc4ccco4)C[C@H]4CCCO4)[C@H]3C=C12 ZINC000252695361 569320410 /nfs/dbraw/zinc/32/04/10/569320410.db2.gz YSZZLAPSDPZFFH-SGKVWYKLSA-N 1 1 413.558 4.575 50 0 biogenic HJAAMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000079052820 569425691 /nfs/dbraw/zinc/42/56/91/569425691.db2.gz CGSYSZMGKDIKAR-RTBURBONSA-N 1 1 417.575 4.648 50 0 HJAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000079073064 569426789 /nfs/dbraw/zinc/42/67/89/569426789.db2.gz LHYZOBSYRALMBK-UHFFFAOYSA-N 1 1 422.573 4.979 50 0 HJAAMO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533022 571074762 /nfs/dbraw/zinc/07/47/62/571074762.db2.gz VQDFXACHPHVECQ-OAHLLOKOSA-N 1 1 413.974 4.834 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000008938985 571166205 /nfs/dbraw/zinc/16/62/05/571166205.db2.gz SQJIBBJCSZLYLT-NRFANRHFSA-N 1 1 423.582 4.881 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000008938985 571166208 /nfs/dbraw/zinc/16/62/08/571166208.db2.gz SQJIBBJCSZLYLT-NRFANRHFSA-N 1 1 423.582 4.881 50 0 HJAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000245343132 571225912 /nfs/dbraw/zinc/22/59/12/571225912.db2.gz GHBYIXRAKLWPAK-DYESRHJHSA-N 1 1 417.619 4.535 50 0 HJAAMO Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1C ZINC000009250755 571241900 /nfs/dbraw/zinc/24/19/00/571241900.db2.gz CROQLIKOHOFRQP-JOCHJYFZSA-N 1 1 400.950 4.679 50 0 HJAAMO CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044127032 518836067 /nfs/dbraw/zinc/83/60/67/518836067.db2.gz WKOAMSSNOQWQQY-PKTZIBPZSA-N 1 1 410.558 4.619 50 0 HJAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000032969110 521725125 /nfs/dbraw/zinc/72/51/25/521725125.db2.gz HMQWICNZEUDVTF-HXUWFJFHSA-N 1 1 409.580 4.993 50 0 HJAAMO CC[N@H+]1CCc2nc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000032969110 521725126 /nfs/dbraw/zinc/72/51/26/521725126.db2.gz HMQWICNZEUDVTF-HXUWFJFHSA-N 1 1 409.580 4.993 50 0 HJAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593948 525724187 /nfs/dbraw/zinc/72/41/87/525724187.db2.gz DPUBMZMXRGODFD-OAQYLSRUSA-N 1 1 409.917 4.870 50 0 HJAAMO CSc1nccc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000020031226 526222602 /nfs/dbraw/zinc/22/26/02/526222602.db2.gz ZGSSHGJLQVNDHP-NRFANRHFSA-N 1 1 410.974 4.764 50 0 HJAAMO O=C(C[N@@H+]1CCC[C@@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000056908443 526749523 /nfs/dbraw/zinc/74/95/23/526749523.db2.gz GTEBYFPFRNCTFQ-GOSISDBHSA-N 1 1 406.448 4.573 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000056908443 526749532 /nfs/dbraw/zinc/74/95/32/526749532.db2.gz GTEBYFPFRNCTFQ-GOSISDBHSA-N 1 1 406.448 4.573 50 0 HJAAMO C[NH+]1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000004811077 536422684 /nfs/dbraw/zinc/42/26/84/536422684.db2.gz HTQGTJJXAZARDR-UHFFFAOYSA-N 1 1 419.956 4.862 50 0 HJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000000635810 557029485 /nfs/dbraw/zinc/02/94/85/557029485.db2.gz MCAJAZHGTAIUBK-FGZHOGPDSA-N 1 1 414.490 4.561 50 0 HJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002255243 557331801 /nfs/dbraw/zinc/33/18/01/557331801.db2.gz SJBGRDLTAGYTNG-DNQXCXABSA-N 1 1 410.452 4.938 50 0 HJAAMO CC[N@@H+]1CCc2c(c(CN(CC(C)C)C(=O)C3CCCCC3)nn2-c2ccccc2)C1 ZINC000034762435 557460136 /nfs/dbraw/zinc/46/01/36/557460136.db2.gz YVFMZSXXZDVHAH-UHFFFAOYSA-N 1 1 422.617 4.815 50 0 HJAAMO CC[N@H+]1CCc2c(c(CN(CC(C)C)C(=O)C3CCCCC3)nn2-c2ccccc2)C1 ZINC000034762435 557460141 /nfs/dbraw/zinc/46/01/41/557460141.db2.gz YVFMZSXXZDVHAH-UHFFFAOYSA-N 1 1 422.617 4.815 50 0 HJAAMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004853921 557606609 /nfs/dbraw/zinc/60/66/09/557606609.db2.gz IDNPDJUMNFBNLJ-RPBOFIJWSA-N 1 1 421.504 4.557 50 0 HJAAMO Clc1ccc(Cl)c(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000006243840 557695951 /nfs/dbraw/zinc/69/59/51/557695951.db2.gz YVVNLJMROIPXIT-UHFFFAOYSA-N 1 1 402.325 4.953 50 0 HJAAMO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)cc1O ZINC000019731143 558259574 /nfs/dbraw/zinc/25/95/74/558259574.db2.gz QHZBGEUQJRQPGH-NSHDSACASA-N 1 1 407.848 4.677 50 0 HJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000011817704 558280959 /nfs/dbraw/zinc/28/09/59/558280959.db2.gz YRLPVSZNSVYTCB-LJQANCHMSA-N 1 1 412.961 4.851 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843293 558288119 /nfs/dbraw/zinc/28/81/19/558288119.db2.gz LIGPIGKMHAGGFC-GOSISDBHSA-N 1 1 414.571 4.899 50 0 HJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843293 558288123 /nfs/dbraw/zinc/28/81/23/558288123.db2.gz LIGPIGKMHAGGFC-GOSISDBHSA-N 1 1 414.571 4.899 50 0 HJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000011932946 558297582 /nfs/dbraw/zinc/29/75/82/558297582.db2.gz UHKSZPKXMRMLQZ-QFIPXVFZSA-N 1 1 406.482 4.782 50 0 HJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5[nH]cnc5c4)C3)C2)cc1 ZINC000011935442 558299434 /nfs/dbraw/zinc/29/94/34/558299434.db2.gz GMMBXPOQZVVMCQ-AREMUKBSSA-N 1 1 416.569 4.815 50 0 HJAAMO Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)N1CC[NH+](C)CC1 ZINC000019894331 558303498 /nfs/dbraw/zinc/30/34/98/558303498.db2.gz FSEUEPQVTKTUDO-UHFFFAOYSA-N 1 1 402.325 4.540 50 0 HJAAMO C[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019938362 558312952 /nfs/dbraw/zinc/31/29/52/558312952.db2.gz SEULJEZGONHHKG-FQEVSTJZSA-N 1 1 418.512 4.527 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c1 ZINC000012300498 558370348 /nfs/dbraw/zinc/37/03/48/558370348.db2.gz UWUNHZISZLSSSP-SANMLTNESA-N 1 1 403.570 4.901 50 0 HJAAMO COc1cc(Cl)c(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1OC ZINC000012301534 558371120 /nfs/dbraw/zinc/37/11/20/558371120.db2.gz UVPMYYAWRMIFHU-ZDUSSCGKSA-N 1 1 403.885 4.841 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)o1 ZINC000012448590 558415534 /nfs/dbraw/zinc/41/55/34/558415534.db2.gz OBIHZOWRCAFMQX-SFHVURJKSA-N 1 1 405.498 4.880 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccnc1 ZINC000012459029 558418532 /nfs/dbraw/zinc/41/85/32/558418532.db2.gz SEDBDRCVBHKUDO-KRWDZBQOSA-N 1 1 409.917 4.637 50 0 HJAAMO COc1cccc(NC(=O)CCC2CC[NH+](Cc3csc(C(C)=O)c3)CC2)c1 ZINC000012471265 558421997 /nfs/dbraw/zinc/42/19/97/558421997.db2.gz ORGHIMXMVVRKPQ-UHFFFAOYSA-N 1 1 400.544 4.590 50 0 HJAAMO Cc1cc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+](CCc4ccc(F)cc4)C3)ccc2o1 ZINC000012587556 558434661 /nfs/dbraw/zinc/43/46/61/558434661.db2.gz SDIFCODNZRSHGC-FQEVSTJZSA-N 1 1 408.517 4.907 50 0 HJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000021351951 558436934 /nfs/dbraw/zinc/43/69/34/558436934.db2.gz DIZOFQWVBOPTFY-JOCHJYFZSA-N 1 1 419.525 4.770 50 0 HJAAMO COc1cccc(-n2cc(C[N@H+](C)Cc3cn(C)nc3-c3cccc(Cl)c3)cn2)c1 ZINC000012709681 558451904 /nfs/dbraw/zinc/45/19/04/558451904.db2.gz QEDJJWGIJCIXRR-UHFFFAOYSA-N 1 1 421.932 4.567 50 0 HJAAMO COc1cccc(-n2cc(C[N@@H+](C)Cc3cn(C)nc3-c3cccc(Cl)c3)cn2)c1 ZINC000012709681 558451905 /nfs/dbraw/zinc/45/19/05/558451905.db2.gz QEDJJWGIJCIXRR-UHFFFAOYSA-N 1 1 421.932 4.567 50 0 HJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c(F)c1 ZINC000012758639 558460648 /nfs/dbraw/zinc/46/06/48/558460648.db2.gz BLLRYKVQKFYDPO-FQEVSTJZSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c(F)c1 ZINC000012758639 558460651 /nfs/dbraw/zinc/46/06/51/558460651.db2.gz BLLRYKVQKFYDPO-FQEVSTJZSA-N 1 1 410.489 4.979 50 0 HJAAMO COc1ccc(OC)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022064226 558461111 /nfs/dbraw/zinc/46/11/11/558461111.db2.gz XIXQVJBRNHXOBZ-UHFFFAOYSA-N 1 1 402.494 4.514 50 0 HJAAMO Fc1ccc(C[N@H+]2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000012790817 558465290 /nfs/dbraw/zinc/46/52/90/558465290.db2.gz OAFQONPZQCNKKY-UHFFFAOYSA-N 1 1 404.411 4.500 50 0 HJAAMO O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012807177 558474178 /nfs/dbraw/zinc/47/41/78/558474178.db2.gz FYKZCIILUHSYDV-RTWAWAEBSA-N 1 1 417.578 4.691 50 0 HJAAMO C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012810508 558474839 /nfs/dbraw/zinc/47/48/39/558474839.db2.gz AQPOMAWXTGIXPX-CQSZACIVSA-N 1 1 404.482 4.823 50 0 HJAAMO C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012810508 558474841 /nfs/dbraw/zinc/47/48/41/558474841.db2.gz AQPOMAWXTGIXPX-CQSZACIVSA-N 1 1 404.482 4.823 50 0 HJAAMO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004493870 558610022 /nfs/dbraw/zinc/61/00/22/558610022.db2.gz DQDKGRCYMLSKLE-QFIPXVFZSA-N 1 1 404.526 4.697 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1F ZINC000004493870 558610025 /nfs/dbraw/zinc/61/00/25/558610025.db2.gz DQDKGRCYMLSKLE-QFIPXVFZSA-N 1 1 404.526 4.697 50 0 HJAAMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC=C(c5ccccc5)CC4)nc(N)c23)C1 ZINC000014070227 558617526 /nfs/dbraw/zinc/61/75/26/558617526.db2.gz JLBWSEPMVYXQAN-MRXNPFEDSA-N 1 1 404.583 4.730 50 0 HJAAMO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004519680 558638088 /nfs/dbraw/zinc/63/80/88/558638088.db2.gz RGOCVFDQZXOOND-QFIPXVFZSA-N 1 1 422.516 4.836 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004519680 558638091 /nfs/dbraw/zinc/63/80/91/558638091.db2.gz RGOCVFDQZXOOND-QFIPXVFZSA-N 1 1 422.516 4.836 50 0 HJAAMO O=C1N[C@H](c2cccc(Cl)c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004525611 558653223 /nfs/dbraw/zinc/65/32/23/558653223.db2.gz BTLPDUADAMVPBD-FQEVSTJZSA-N 1 1 409.942 4.814 50 0 HJAAMO O=C1N[C@H](c2cccc(Cl)c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004525611 558653225 /nfs/dbraw/zinc/65/32/25/558653225.db2.gz BTLPDUADAMVPBD-FQEVSTJZSA-N 1 1 409.942 4.814 50 0 HJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011011507 558669713 /nfs/dbraw/zinc/66/97/13/558669713.db2.gz FZVSWGKBNCKURQ-IBGZPJMESA-N 1 1 411.509 4.713 50 0 HJAAMO COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)o1 ZINC000014967263 558686299 /nfs/dbraw/zinc/68/62/99/558686299.db2.gz YOLGJWCZECOAGD-HXUWFJFHSA-N 1 1 418.537 4.735 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000014974733 558688871 /nfs/dbraw/zinc/68/88/71/558688871.db2.gz OVXHBXGOWUYIGV-GOSISDBHSA-N 1 1 407.539 4.669 50 0 HJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000014974733 558688874 /nfs/dbraw/zinc/68/88/74/558688874.db2.gz OVXHBXGOWUYIGV-GOSISDBHSA-N 1 1 407.539 4.669 50 0 HJAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000015001431 558697858 /nfs/dbraw/zinc/69/78/58/558697858.db2.gz ARSUKUVINRYDAU-JOCHJYFZSA-N 1 1 414.427 4.577 50 0 HJAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000015001431 558697862 /nfs/dbraw/zinc/69/78/62/558697862.db2.gz ARSUKUVINRYDAU-JOCHJYFZSA-N 1 1 414.427 4.577 50 0 HJAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)c1 ZINC000015068388 558710904 /nfs/dbraw/zinc/71/09/04/558710904.db2.gz ZOEGUHLNRALRLO-SANMLTNESA-N 1 1 403.570 4.819 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1F ZINC000015070337 558712333 /nfs/dbraw/zinc/71/23/33/558712333.db2.gz RLJJAHOLCUPTLB-KRWDZBQOSA-N 1 1 418.940 4.796 50 0 HJAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075106 558715516 /nfs/dbraw/zinc/71/55/16/558715516.db2.gz BOBUSJGJJBRHIF-XAFBZQIESA-N 1 1 418.516 4.684 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(CSC)o1 ZINC000015078746 558717931 /nfs/dbraw/zinc/71/79/31/558717931.db2.gz QMIAAPDWLMNCGA-LJQANCHMSA-N 1 1 418.578 4.699 50 0 HJAAMO COc1ccc(Br)cc1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000004614584 558858731 /nfs/dbraw/zinc/85/87/31/558858731.db2.gz KJEWUMPAPSMTOU-UHFFFAOYSA-N 1 1 403.364 4.554 50 0 HJAAMO Cc1ccsc1C[N@@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000055042049 558870447 /nfs/dbraw/zinc/87/04/47/558870447.db2.gz VASUIZDZYKJUFW-DEOSSOPVSA-N 1 1 409.551 4.738 50 0 HJAAMO Cc1ccsc1C[N@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000055042049 558870448 /nfs/dbraw/zinc/87/04/48/558870448.db2.gz VASUIZDZYKJUFW-DEOSSOPVSA-N 1 1 409.551 4.738 50 0 HJAAMO COc1ccc(NC(=S)NC[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1Cl ZINC000004688715 558899057 /nfs/dbraw/zinc/89/90/57/558899057.db2.gz HACPGQGICGCOGG-HZPDHXFCSA-N 1 1 403.979 4.718 50 0 HJAAMO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000004700194 558907774 /nfs/dbraw/zinc/90/77/74/558907774.db2.gz MNPADLDUQVHZPR-UHFFFAOYSA-N 1 1 415.375 4.710 50 0 HJAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068916 558977628 /nfs/dbraw/zinc/97/76/28/558977628.db2.gz HBNWBIFSGYYIBT-UHFFFAOYSA-N 1 1 401.963 4.700 50 0 HJAAMO CC[C@@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072422028 558978588 /nfs/dbraw/zinc/97/85/88/558978588.db2.gz FMYSLFCBEWVLMS-HXUWFJFHSA-N 1 1 409.505 4.606 50 0 HJAAMO CC[C@@H]1COCC[N@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072422028 558978589 /nfs/dbraw/zinc/97/85/89/558978589.db2.gz FMYSLFCBEWVLMS-HXUWFJFHSA-N 1 1 409.505 4.606 50 0 HJAAMO COc1cc2cc(C[N@H+]3CCC[C@@H](O)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072439307 558981459 /nfs/dbraw/zinc/98/14/59/558981459.db2.gz BLUKEXWNXAGHPM-LJQANCHMSA-N 1 1 412.917 4.529 50 0 HJAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072458591 558983075 /nfs/dbraw/zinc/98/30/75/558983075.db2.gz NNJVOQQVKZLRGP-HNNXBMFYSA-N 1 1 416.456 4.753 50 0 HJAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072458593 558983186 /nfs/dbraw/zinc/98/31/86/558983186.db2.gz NNJVOQQVKZLRGP-OAHLLOKOSA-N 1 1 416.456 4.753 50 0 HJAAMO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[N@H+]3CCC[C@H](O)C3)cc12 ZINC000072481335 558984227 /nfs/dbraw/zinc/98/42/27/558984227.db2.gz QHMLCQBQFOJDPW-SFHVURJKSA-N 1 1 412.917 4.529 50 0 HJAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@@H+](C)CC3 ZINC000033265597 558985773 /nfs/dbraw/zinc/98/57/73/558985773.db2.gz PJGPDHUZXLIRLI-HNNXBMFYSA-N 1 1 422.554 4.644 50 0 HJAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@H+](C)CC3 ZINC000033265597 558985775 /nfs/dbraw/zinc/98/57/75/558985775.db2.gz PJGPDHUZXLIRLI-HNNXBMFYSA-N 1 1 422.554 4.644 50 0 HJAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000076894728 558998018 /nfs/dbraw/zinc/99/80/18/558998018.db2.gz GMVYXGUAJOYXGD-LJQANCHMSA-N 1 1 400.482 4.674 50 0 HJAAMO COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000004747800 559046058 /nfs/dbraw/zinc/04/60/58/559046058.db2.gz RQQMXJOEPGZHGF-UHFFFAOYSA-N 1 1 400.544 4.633 50 0 HJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000004776229 559059610 /nfs/dbraw/zinc/05/96/10/559059610.db2.gz HAZRINAWSLTYFD-PMOQBDJRSA-N 1 1 401.934 4.923 50 0 HJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785552 559063785 /nfs/dbraw/zinc/06/37/85/559063785.db2.gz UCRIIXJATPHSML-SWYRRKHMSA-N 1 1 408.586 4.732 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314241 559115846 /nfs/dbraw/zinc/11/58/46/559115846.db2.gz SPOABIBBNIGJLC-NVQXNPDNSA-N 1 1 414.549 4.696 50 0 HJAAMO CCCC[N@@H+](CCCNC(=O)c1cc(C)nn1-c1ccccc1)Cc1ccccc1 ZINC000005058694 559238840 /nfs/dbraw/zinc/23/88/40/559238840.db2.gz RDPFARKSOUINEU-UHFFFAOYSA-N 1 1 404.558 4.603 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)CC)co2)[C@H](C)C(C)C)cc1 ZINC000106679616 560893016 /nfs/dbraw/zinc/89/30/16/560893016.db2.gz YPFOFADEDULNQX-QZTJIDSGSA-N 1 1 401.551 4.648 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@H](C)CC)co2)[C@H](C)C(C)C)cc1 ZINC000106679616 560893017 /nfs/dbraw/zinc/89/30/17/560893017.db2.gz YPFOFADEDULNQX-QZTJIDSGSA-N 1 1 401.551 4.648 50 0 HJAAMO CC(=O)N(c1nc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000107530801 560896808 /nfs/dbraw/zinc/89/68/08/560896808.db2.gz UYFWCWJCQVDDDO-QHCPKHFHSA-N 1 1 420.582 4.625 50 0 HJAAMO CC(=O)N(c1nc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000107530801 560896810 /nfs/dbraw/zinc/89/68/10/560896810.db2.gz UYFWCWJCQVDDDO-QHCPKHFHSA-N 1 1 420.582 4.625 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000048236769 568432982 /nfs/dbraw/zinc/43/29/82/568432982.db2.gz KIMUKFSJTQCZTO-AWEZNQCLSA-N 1 1 407.917 4.827 50 0 HJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1cccc3c1OCCO3)CC2 ZINC000048325816 568438847 /nfs/dbraw/zinc/43/88/47/568438847.db2.gz WWQUGFPZOYYJQR-HSZRJFAPSA-N 1 1 423.534 4.684 50 0 HJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1cccc3c1OCCO3)CC2 ZINC000048325816 568438848 /nfs/dbraw/zinc/43/88/48/568438848.db2.gz WWQUGFPZOYYJQR-HSZRJFAPSA-N 1 1 423.534 4.684 50 0 HJAAMO Cc1cc2oc(=O)cc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2cc1Cl ZINC000020412538 568605786 /nfs/dbraw/zinc/60/57/86/568605786.db2.gz KNUVHGRQBBVDFI-VMPITWQZSA-N 1 1 408.929 4.586 50 0 HJAAMO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cccnc2NC(=O)OC(C)(C)C)c1 ZINC000095435780 568609652 /nfs/dbraw/zinc/60/96/52/568609652.db2.gz POANUUZDECQYKU-UHFFFAOYSA-N 1 1 412.534 4.703 50 0 HJAAMO CCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868272 568646971 /nfs/dbraw/zinc/64/69/71/568646971.db2.gz DOCKAWZPPGQRNL-RPWUZVMVSA-N 1 1 417.977 4.842 50 0 HJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCc1ccccc1)[C@@H]2c1ccccc1 ZINC000021642892 568727766 /nfs/dbraw/zinc/72/77/66/568727766.db2.gz RCDHOKUIFPYSOQ-RUZDIDTESA-N 1 1 418.606 4.925 50 0 HJAAMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000015144224 568812882 /nfs/dbraw/zinc/81/28/82/568812882.db2.gz UGAGJRNDRZJARZ-CYBMUJFWSA-N 1 1 412.864 4.717 50 0 HJAAMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000015144224 568812885 /nfs/dbraw/zinc/81/28/85/568812885.db2.gz UGAGJRNDRZJARZ-CYBMUJFWSA-N 1 1 412.864 4.717 50 0 HJAAMO Cc1ccc(NC(=O)NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000012527167 568843211 /nfs/dbraw/zinc/84/32/11/568843211.db2.gz XMMLRBXAFGJAOY-UHFFFAOYSA-N 1 1 422.573 4.828 50 0 HJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000003419910 568858755 /nfs/dbraw/zinc/85/87/55/568858755.db2.gz WNWUTOBDSQXBHH-MRXNPFEDSA-N 1 1 411.727 4.653 50 0 HJAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000058820479 568929658 /nfs/dbraw/zinc/92/96/58/568929658.db2.gz IKVFKZJDZGSVSH-UHFFFAOYSA-N 1 1 406.570 4.685 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC[N@H+](CC)C2 ZINC000004086895 568940483 /nfs/dbraw/zinc/94/04/83/568940483.db2.gz NEFRCSKWPGJWAY-UHFFFAOYSA-N 1 1 408.523 4.708 50 0 HJAAMO CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC[N@@H+](CC)C2 ZINC000004086895 568940486 /nfs/dbraw/zinc/94/04/86/568940486.db2.gz NEFRCSKWPGJWAY-UHFFFAOYSA-N 1 1 408.523 4.708 50 0 HJAAMO Cc1ccc2c(C[N@H+](Cc3ccccc3)C[C@H](O)c3ccsc3)cc(=O)oc2c1 ZINC000084208409 568944607 /nfs/dbraw/zinc/94/46/07/568944607.db2.gz UADYZFACHABWOK-QFIPXVFZSA-N 1 1 405.519 4.899 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000012767304 568949187 /nfs/dbraw/zinc/94/91/87/568949187.db2.gz HXOUMHWVXKXNRN-UHFFFAOYSA-N 1 1 415.896 4.694 50 0 HJAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000008310272 568988537 /nfs/dbraw/zinc/98/85/37/568988537.db2.gz KTEKEKGGWIYASY-IBGZPJMESA-N 1 1 404.510 4.733 50 0 HJAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000008310272 568988538 /nfs/dbraw/zinc/98/85/38/568988538.db2.gz KTEKEKGGWIYASY-IBGZPJMESA-N 1 1 404.510 4.733 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C1CC1 ZINC000012898461 569020442 /nfs/dbraw/zinc/02/04/42/569020442.db2.gz JBBHZYKFIBWNAV-HXUWFJFHSA-N 1 1 405.498 4.824 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559902 569044895 /nfs/dbraw/zinc/04/48/95/569044895.db2.gz RFDDFZGOFYKMOM-GOSISDBHSA-N 1 1 424.976 4.732 50 0 HJAAMO COC(=O)c1ccc2c(c1)nc(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)[nH]c2=O ZINC000013011251 569050137 /nfs/dbraw/zinc/05/01/37/569050137.db2.gz FZDYGEJHBJOOEZ-UHFFFAOYSA-N 1 1 423.488 4.596 50 0 HJAAMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)[nH]c2=O ZINC000013011251 569050138 /nfs/dbraw/zinc/05/01/38/569050138.db2.gz FZDYGEJHBJOOEZ-UHFFFAOYSA-N 1 1 423.488 4.596 50 0 HJAAMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccnn3C3CCCC3)ccc2c1 ZINC000013011215 569050186 /nfs/dbraw/zinc/05/01/86/569050186.db2.gz XWDINOUHPGDMEV-UHFFFAOYSA-N 1 1 406.530 4.621 50 0 HJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000239439288 569054412 /nfs/dbraw/zinc/05/44/12/569054412.db2.gz ZRTZWUHONCHQGS-FYYLOGMGSA-N 1 1 410.517 5.067 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226211 569055192 /nfs/dbraw/zinc/05/51/92/569055192.db2.gz KTVXTLHHFMATLT-FTBPSBKWSA-N 1 1 410.533 4.749 50 0 HJAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226211 569055193 /nfs/dbraw/zinc/05/51/93/569055193.db2.gz KTVXTLHHFMATLT-FTBPSBKWSA-N 1 1 410.533 4.749 50 0 HJAAMO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095352 569089881 /nfs/dbraw/zinc/08/98/81/569089881.db2.gz PURJQIGSNKRCCC-JOCHJYFZSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccc(C[N@H+](Cc2ccccc2F)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095352 569089884 /nfs/dbraw/zinc/08/98/84/569089884.db2.gz PURJQIGSNKRCCC-JOCHJYFZSA-N 1 1 409.501 4.585 50 0 HJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036102380 569091882 /nfs/dbraw/zinc/09/18/82/569091882.db2.gz IEWPJRSVJQLFQP-HSZRJFAPSA-N 1 1 409.501 4.585 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000006798917 569126127 /nfs/dbraw/zinc/12/61/27/569126127.db2.gz HKTXQIFAQUOPHV-KRWDZBQOSA-N 1 1 423.582 4.850 50 0 HJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](C)O ZINC000036316150 569135129 /nfs/dbraw/zinc/13/51/29/569135129.db2.gz HYSKHMQETVADAS-MRXNPFEDSA-N 1 1 415.484 4.750 50 0 HJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036316511 569135225 /nfs/dbraw/zinc/13/52/25/569135225.db2.gz OWGUDXHBWCGLTL-SFHVURJKSA-N 1 1 411.521 4.959 50 0 HJAAMO C[N@@H+](CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)C1CCCCC1 ZINC000064968172 569137859 /nfs/dbraw/zinc/13/78/59/569137859.db2.gz 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O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007647391 569298428 /nfs/dbraw/zinc/29/84/28/569298428.db2.gz SMTQTPHCXLFJLP-OAQYLSRUSA-N 1 1 417.578 4.792 50 0 HJAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007647391 569298430 /nfs/dbraw/zinc/29/84/30/569298430.db2.gz SMTQTPHCXLFJLP-OAQYLSRUSA-N 1 1 417.578 4.792 50 0 HJAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000007668281 569299858 /nfs/dbraw/zinc/29/98/58/569299858.db2.gz SBBQAVBUIBKNBH-UHFFFAOYSA-N 1 1 404.466 4.674 50 0 HJAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000007668281 569299860 /nfs/dbraw/zinc/29/98/60/569299860.db2.gz SBBQAVBUIBKNBH-UHFFFAOYSA-N 1 1 404.466 4.674 50 0 HJAAMO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533021 571074732 /nfs/dbraw/zinc/07/47/32/571074732.db2.gz VQDFXACHPHVECQ-HNNXBMFYSA-N 1 1 413.974 4.834 50 0 HJAAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C1CC1 ZINC000040155732 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/nfs/dbraw/zinc/87/42/27/558874227.db2.gz ZASVDCRANMSGBG-UHFFFAOYSA-N 1 1 404.514 4.820 50 0 HJAAMO c1ccc(Cc2noc(CN3CCC[C@]4(CCC[N@@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000055227526 558876756 /nfs/dbraw/zinc/87/67/56/558876756.db2.gz WVPFLEOOFNXCHT-SANMLTNESA-N 1 1 416.569 4.539 50 0 HJAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1cccc(F)c1 ZINC000055343094 558879651 /nfs/dbraw/zinc/87/96/51/558879651.db2.gz MIGOMXHXKUFBTM-QGZVFWFLSA-N 1 1 401.489 4.936 50 0 HJAAMO COc1c(Cl)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000058134432 558900770 /nfs/dbraw/zinc/90/07/70/558900770.db2.gz TVRUGFQIRMXBRZ-INIZCTEOSA-N 1 1 407.341 4.644 50 0 HJAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059891 558953980 /nfs/dbraw/zinc/95/39/80/558953980.db2.gz FBLLLHQIMGOCIK-LJQANCHMSA-N 1 1 418.566 4.727 50 0 HJAAMO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1O ZINC000063868470 558960315 /nfs/dbraw/zinc/96/03/15/558960315.db2.gz UDRPUQMPRYPUCD-QHCPKHFHSA-N 1 1 423.601 4.843 50 0 HJAAMO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1O ZINC000063868472 558960353 /nfs/dbraw/zinc/96/03/53/558960353.db2.gz UDRPUQMPRYPUCD-HSZRJFAPSA-N 1 1 423.601 4.843 50 0 HJAAMO FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4cnc[nH]4)CC3)ccnc21 ZINC000072439171 558981531 /nfs/dbraw/zinc/98/15/31/558981531.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 1 1 415.463 4.612 50 0 HJAAMO FC(F)(F)c1cccc2c(N3CCC4(CCC[N@@H+]4Cc4c[nH]cn4)CC3)ccnc21 ZINC000072439171 558981533 /nfs/dbraw/zinc/98/15/33/558981533.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 1 1 415.463 4.612 50 0 HJAAMO FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4c[nH]cn4)CC3)ccnc21 ZINC000072439171 558981534 /nfs/dbraw/zinc/98/15/34/558981534.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 1 1 415.463 4.612 50 0 HJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H](OC)C2)cc1OC ZINC000072469225 558983275 /nfs/dbraw/zinc/98/32/75/558983275.db2.gz ODBXDCMEIJCMCZ-OAQYLSRUSA-N 1 1 406.526 4.838 50 0 HJAAMO CC(C)C[N@H+](Cc1cccn1Cc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000004798529 559066800 /nfs/dbraw/zinc/06/68/00/559066800.db2.gz LXFOEYOADNJPLA-VWLOTQADSA-N 1 1 424.560 4.711 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004911302 559202724 /nfs/dbraw/zinc/20/27/24/559202724.db2.gz KUKXRAQJSIZPAS-QFIPXVFZSA-N 1 1 404.526 4.841 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000005043839 559236399 /nfs/dbraw/zinc/23/63/99/559236399.db2.gz NHKUAYYBINKJEO-UHFFFAOYSA-N 1 1 421.516 4.626 50 0 HJAAMO CCCC[N@@H+](CCCn1cnc2c3cc(OC)ccc3[nH]c2c1=O)Cc1ccccc1 ZINC000005152222 559254133 /nfs/dbraw/zinc/25/41/33/559254133.db2.gz MQADWWBCCMDNAO-UHFFFAOYSA-N 1 1 418.541 4.579 50 0 HJAAMO Cc1cc([C@H](C)NC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)c(F)c2)c(C)s1 ZINC000046600867 559287631 /nfs/dbraw/zinc/28/76/31/559287631.db2.gz FWVAOBRRUNTAPU-HNNXBMFYSA-N 1 1 404.555 4.529 50 0 HJAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000048236771 568432949 /nfs/dbraw/zinc/43/29/49/568432949.db2.gz KIMUKFSJTQCZTO-CQSZACIVSA-N 1 1 407.917 4.827 50 0 HJAAMO Cc1nc(-c2ccccc2Cl)sc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296705 568462775 /nfs/dbraw/zinc/46/27/75/568462775.db2.gz YVXLOKQDFSXBDM-MAUKXSAKSA-N 1 1 403.979 4.766 50 0 biogenic HJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)[nH+]1 ZINC000033318562 568513906 /nfs/dbraw/zinc/51/39/06/568513906.db2.gz HXKTVUBESWMIDF-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318562 568513907 /nfs/dbraw/zinc/51/39/07/568513907.db2.gz HXKTVUBESWMIDF-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO Cc1ccc(Cl)cc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927210 568651564 /nfs/dbraw/zinc/65/15/64/568651564.db2.gz MKCRLOHVSKWHSL-UHFFFAOYSA-N 1 1 414.962 4.810 50 0 HJAAMO CCOc1cc(=O)oc2cc(OCCC[N@@H+]3CC=C(c4ccccc4)CC3)ccc12 ZINC000096028234 568687013 /nfs/dbraw/zinc/68/70/13/568687013.db2.gz MJCXRUDXDMACEE-UHFFFAOYSA-N 1 1 405.494 4.750 50 0 HJAAMO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096182530 568702684 /nfs/dbraw/zinc/70/26/84/568702684.db2.gz DYLDLSPCMNBMAC-VWLOTQADSA-N 1 1 402.513 4.990 50 0 HJAAMO COc1ccccc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000096183767 568703078 /nfs/dbraw/zinc/70/30/78/568703078.db2.gz QNSBKAKYRHZJFS-AREMUKBSSA-N 1 1 414.549 4.859 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280028 568717784 /nfs/dbraw/zinc/71/77/84/568717784.db2.gz XIRPDHCJTYLPAH-SFHVURJKSA-N 1 1 401.551 4.506 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280028 568717788 /nfs/dbraw/zinc/71/77/88/568717788.db2.gz XIRPDHCJTYLPAH-SFHVURJKSA-N 1 1 401.551 4.506 50 0 HJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000021794093 568753487 /nfs/dbraw/zinc/75/34/87/568753487.db2.gz QHBOKLAMPJPYEC-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc(N(C)C)[nH+]1 ZINC000021794093 568753488 /nfs/dbraw/zinc/75/34/88/568753488.db2.gz QHBOKLAMPJPYEC-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000002915231 568816249 /nfs/dbraw/zinc/81/62/49/568816249.db2.gz NJAZZHWKFVUXHE-JWQCQUIFSA-N 1 1 422.488 4.808 50 0 HJAAMO COC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc(Cl)c1-c1ccccc1 ZINC000004194438 568821329 /nfs/dbraw/zinc/82/13/29/568821329.db2.gz NAAIHHREMXAVBD-UHFFFAOYSA-N 1 1 406.935 4.670 50 0 HJAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+](C)C1CCCCC1)C[C@H](C)CC2 ZINC000005864818 568826856 /nfs/dbraw/zinc/82/68/56/568826856.db2.gz JAENTPXHDYDHRN-CABCVRRESA-N 1 1 406.592 4.641 50 0 HJAAMO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 ZINC000003333094 568882464 /nfs/dbraw/zinc/88/24/64/568882464.db2.gz RBTJQBSSWGWROU-UHFFFAOYSA-N 1 1 401.226 4.538 50 0 HJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 ZINC000003333094 568882466 /nfs/dbraw/zinc/88/24/66/568882466.db2.gz RBTJQBSSWGWROU-UHFFFAOYSA-N 1 1 401.226 4.538 50 0 HJAAMO C[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2C1 ZINC000058019315 568876977 /nfs/dbraw/zinc/87/69/77/568876977.db2.gz JNWYZEUXZWLLIP-IGEMGIOYSA-N 1 1 424.335 4.883 50 0 HJAAMO Clc1cccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000058170529 568895908 /nfs/dbraw/zinc/89/59/08/568895908.db2.gz BGFGJIRVJAMMOW-UHFFFAOYSA-N 1 1 415.928 4.667 50 0 HJAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000248380003 568917447 /nfs/dbraw/zinc/91/74/47/568917447.db2.gz OQIMFYMOSACETL-UZLBHIALSA-N 1 1 414.933 4.516 50 0 HJAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000248380003 568917450 /nfs/dbraw/zinc/91/74/50/568917450.db2.gz OQIMFYMOSACETL-UZLBHIALSA-N 1 1 414.933 4.516 50 0 HJAAMO O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 ZINC000012737111 568925659 /nfs/dbraw/zinc/92/56/59/568925659.db2.gz RURQQKABXTUVCQ-IBGZPJMESA-N 1 1 423.538 4.550 50 0 HJAAMO COc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000004193693 568950925 /nfs/dbraw/zinc/95/09/25/568950925.db2.gz NVVRDTDGHGQFCQ-SFHVURJKSA-N 1 1 401.576 4.609 50 0 HJAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cc(=O)n3c(C)cccc3n2)s1 ZINC000012772294 568952116 /nfs/dbraw/zinc/95/21/16/568952116.db2.gz NQRDPWHINMJBSN-UHFFFAOYSA-N 1 1 403.551 4.618 50 0 HJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000004315254 568961558 /nfs/dbraw/zinc/96/15/58/568961558.db2.gz UDLRCDOXBITDCO-UHFFFAOYSA-N 1 1 403.313 4.688 50 0 HJAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)c(C)o2)cc1 ZINC000005055849 568971634 /nfs/dbraw/zinc/97/16/34/568971634.db2.gz SKKBYRNLZLSNQX-QHCPKHFHSA-N 1 1 417.553 4.741 50 0 HJAAMO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000012806969 568979796 /nfs/dbraw/zinc/97/97/96/568979796.db2.gz ZYBPUWLTKJBWQO-FQEVSTJZSA-N 1 1 409.482 4.964 50 0 HJAAMO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000012806969 568979797 /nfs/dbraw/zinc/97/97/97/568979797.db2.gz ZYBPUWLTKJBWQO-FQEVSTJZSA-N 1 1 409.482 4.964 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000012857834 569011202 /nfs/dbraw/zinc/01/12/02/569011202.db2.gz WDBZDOKNXGOZBR-AWEZNQCLSA-N 1 1 403.313 4.777 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)C1CC1 ZINC000012898466 569020425 /nfs/dbraw/zinc/02/04/25/569020425.db2.gz JBBHZYKFIBWNAV-FQEVSTJZSA-N 1 1 405.498 4.824 50 0 HJAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc(Cl)c1OC ZINC000012942267 569028709 /nfs/dbraw/zinc/02/87/09/569028709.db2.gz CNQUJIXVSRHLOY-CHWSQXEVSA-N 1 1 423.966 4.544 50 0 HJAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000012942276 569028740 /nfs/dbraw/zinc/02/87/40/569028740.db2.gz CNQUJIXVSRHLOY-STQMWFEESA-N 1 1 423.966 4.544 50 0 HJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)C1 ZINC000035560171 569044893 /nfs/dbraw/zinc/04/48/93/569044893.db2.gz TVCOSRWFNPSXNY-SFHVURJKSA-N 1 1 424.976 4.590 50 0 HJAAMO Cc1cccc2sc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c(Cl)c21 ZINC000013015108 569050794 /nfs/dbraw/zinc/05/07/94/569050794.db2.gz PARBXICWQFDDDW-UHFFFAOYSA-N 1 1 414.958 4.625 50 0 HJAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3cccc(C)c3)c[nH]c21 ZINC000035768609 569058170 /nfs/dbraw/zinc/05/81/70/569058170.db2.gz ARXYFYRXYYTOKM-HSZRJFAPSA-N 1 1 403.570 4.725 50 0 HJAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031556 569081035 /nfs/dbraw/zinc/08/10/35/569081035.db2.gz UBMLSQFPWUPDAF-JOCHJYFZSA-N 1 1 411.929 4.791 50 0 HJAAMO COc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102808 569092146 /nfs/dbraw/zinc/09/21/46/569092146.db2.gz IMOXWCSXCUYQHD-JOCHJYFZSA-N 1 1 411.929 4.791 50 0 HJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801475 569097210 /nfs/dbraw/zinc/09/72/10/569097210.db2.gz LOZGFCIGYSZYGD-UHFFFAOYSA-N 1 1 406.465 4.912 50 0 HJAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064800831 569097534 /nfs/dbraw/zinc/09/75/34/569097534.db2.gz DOWMDJDTGUSONC-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006746158 569108318 /nfs/dbraw/zinc/10/83/18/569108318.db2.gz GAVXDGMLAJKKHD-MRXNPFEDSA-N 1 1 417.303 4.664 50 0 HJAAMO Cc1ccc(-c2nc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3n2CCCCC3)cc1 ZINC000006749257 569108995 /nfs/dbraw/zinc/10/89/95/569108995.db2.gz XMICNUWUTSHAOR-OYRHEFFESA-N 1 1 422.617 4.683 50 0 HJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036306202 569129751 /nfs/dbraw/zinc/12/97/51/569129751.db2.gz WODILXDWGFVBOJ-FQEVSTJZSA-N 1 1 421.541 4.623 50 0 HJAAMO CCCC[N@@H+](CCCn1cnc2c3cc(C)ccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006809317 569132745 /nfs/dbraw/zinc/13/27/45/569132745.db2.gz BNGHGMRASSUFJU-UHFFFAOYSA-N 1 1 402.542 4.879 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036346757 569143714 /nfs/dbraw/zinc/14/37/14/569143714.db2.gz BRKTXFZBSUOKJP-MRXNPFEDSA-N 1 1 415.484 4.844 50 0 HJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322229 569224429 /nfs/dbraw/zinc/22/44/29/569224429.db2.gz REPFBYAHNWTSRM-UHFFFAOYSA-N 1 1 420.557 4.758 50 0 HJAAMO O=C(CSc1ccc2ccccc2c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000089832349 569266896 /nfs/dbraw/zinc/26/68/96/569266896.db2.gz YZXWFSSCLOITOH-OAQYLSRUSA-N 1 1 404.579 4.613 50 0 HJAAMO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000037587445 569308235 /nfs/dbraw/zinc/30/82/35/569308235.db2.gz SFDBVOFGIPNFHO-UHFFFAOYSA-N 1 1 402.485 4.627 50 0 HJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000002426027 569398597 /nfs/dbraw/zinc/39/85/97/569398597.db2.gz MKTCJRDZURCFKV-DNRSQYFGSA-N 1 1 422.569 4.619 50 0 HJAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C=C12 ZINC000012884795 569404428 /nfs/dbraw/zinc/40/44/28/569404428.db2.gz YSZZLAPSDPZFFH-RSLVGPPVSA-N 1 1 413.558 4.575 50 0 biogenic HJAAMO CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067809 569426582 /nfs/dbraw/zinc/42/65/82/569426582.db2.gz SAMLGIHCWFIGND-LAUBAEHRSA-N 1 1 410.518 4.554 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532520 571074682 /nfs/dbraw/zinc/07/46/82/571074682.db2.gz PYXAEYSQBNJGHT-ZDUSSCGKSA-N 1 1 400.828 4.697 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532520 571074685 /nfs/dbraw/zinc/07/46/85/571074685.db2.gz PYXAEYSQBNJGHT-ZDUSSCGKSA-N 1 1 400.828 4.697 50 0 HJAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245279582 571222352 /nfs/dbraw/zinc/22/23/52/571222352.db2.gz IXQJZOXVNQLRDG-NTKDMRAZSA-N 1 1 405.542 4.556 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000009151104 571230276 /nfs/dbraw/zinc/23/02/76/571230276.db2.gz DRRFZXVODSLUGT-UHFFFAOYSA-N 1 1 408.571 4.855 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(C)c2C)C1 ZINC000009151099 571230349 /nfs/dbraw/zinc/23/03/49/571230349.db2.gz YRYHAVPJAORGPS-UHFFFAOYSA-N 1 1 408.571 4.855 50 0 HJAAMO O=C(Nc1cc(F)ccc1F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004324524 132275361 /nfs/dbraw/zinc/27/53/61/132275361.db2.gz WQNXDPSFRDRMAE-UHFFFAOYSA-N 1 1 402.832 4.521 50 0 HJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000009573228 132341129 /nfs/dbraw/zinc/34/11/29/132341129.db2.gz RWRWQEASEGVTRT-UHFFFAOYSA-N 1 1 423.520 4.644 50 0 HJAAMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)cc2cccnc21 ZINC000032825183 521552221 /nfs/dbraw/zinc/55/22/21/521552221.db2.gz PAPKJTCCMWQPGL-UHFFFAOYSA-N 1 1 405.395 4.642 50 0 HJAAMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)cc2cccnc21 ZINC000032825183 521552228 /nfs/dbraw/zinc/55/22/28/521552228.db2.gz PAPKJTCCMWQPGL-UHFFFAOYSA-N 1 1 405.395 4.642 50 0 HJAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1 ZINC000043056902 524829156 /nfs/dbraw/zinc/82/91/56/524829156.db2.gz CVDGVJNSAKURNC-HNNXBMFYSA-N 1 1 413.468 4.752 50 0 HJAAMO COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032900670 524887727 /nfs/dbraw/zinc/88/77/27/524887727.db2.gz HJRNLRJKLWMHHP-UHFFFAOYSA-N 1 1 418.541 4.898 50 0 HJAAMO Cc1ccccc1-c1ncc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000020599785 525013966 /nfs/dbraw/zinc/01/39/66/525013966.db2.gz RASOROYACSYFHL-DEOSSOPVSA-N 1 1 400.570 4.591 50 0 HJAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)CC2)c1 ZINC000020600942 526980654 /nfs/dbraw/zinc/98/06/54/526980654.db2.gz ZTWWAFBHFKSVSA-JOCHJYFZSA-N 1 1 408.977 4.608 50 0 HJAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)CC2)c1 ZINC000020600943 526981187 /nfs/dbraw/zinc/98/11/87/526981187.db2.gz ZTWWAFBHFKSVSA-QFIPXVFZSA-N 1 1 408.977 4.608 50 0 HJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635848 557029584 /nfs/dbraw/zinc/02/95/84/557029584.db2.gz TUPLZYHCEXMIBU-RPBOFIJWSA-N 1 1 422.488 4.808 50 0 HJAAMO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1Cl ZINC000002273126 557333622 /nfs/dbraw/zinc/33/36/22/557333622.db2.gz DVKCMMXFPYHKNY-IBGZPJMESA-N 1 1 413.930 4.812 50 0 HJAAMO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1Cl ZINC000002273126 557333626 /nfs/dbraw/zinc/33/36/26/557333626.db2.gz DVKCMMXFPYHKNY-IBGZPJMESA-N 1 1 413.930 4.812 50 0 HJAAMO COc1cccc(C[N@H+]2C[C@H](C(=O)NCc3ccccc3)CC[C@@H]2c2ccccc2)c1 ZINC000034669810 557363031 /nfs/dbraw/zinc/36/30/31/557363031.db2.gz JYHYAVUBKGURFO-AOYPEHQESA-N 1 1 414.549 4.965 50 0 HJAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N(C)Cc3ccco3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733605 557440495 /nfs/dbraw/zinc/44/04/95/557440495.db2.gz JXVDYIUTUARZIA-DNQXCXABSA-N 1 1 402.538 4.852 50 0 HJAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccccc1 ZINC000004942810 557615406 /nfs/dbraw/zinc/61/54/06/557615406.db2.gz CJHOZNIGZWWXRZ-UHFFFAOYSA-N 1 1 402.288 4.920 50 0 HJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004955878 557617090 /nfs/dbraw/zinc/61/70/90/557617090.db2.gz ZFANSAQWBPFAGW-QFIPXVFZSA-N 1 1 404.526 4.841 50 0 HJAAMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000006805411 557722682 /nfs/dbraw/zinc/72/26/82/557722682.db2.gz MFDMEIXBPBCSNK-GOSISDBHSA-N 1 1 400.530 4.621 50 0 HJAAMO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnc(C)nc4)C3)c2)c1 ZINC000011754144 558272829 /nfs/dbraw/zinc/27/28/29/558272829.db2.gz LXEXWXCHFIMAMY-HSZRJFAPSA-N 1 1 400.526 4.611 50 0 HJAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011754225 558273074 /nfs/dbraw/zinc/27/30/74/558273074.db2.gz MZPISNDHKBGTTJ-INIZCTEOSA-N 1 1 415.555 4.529 50 0 HJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011754225 558273078 /nfs/dbraw/zinc/27/30/78/558273078.db2.gz MZPISNDHKBGTTJ-INIZCTEOSA-N 1 1 415.555 4.529 50 0 HJAAMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000019758881 558275449 /nfs/dbraw/zinc/27/54/49/558275449.db2.gz AEOPUZZXDZCHSK-UHFFFAOYSA-N 1 1 405.548 4.668 50 0 HJAAMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019758881 558275451 /nfs/dbraw/zinc/27/54/51/558275451.db2.gz AEOPUZZXDZCHSK-UHFFFAOYSA-N 1 1 405.548 4.668 50 0 HJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(OC)c1 ZINC000019790855 558282483 /nfs/dbraw/zinc/28/24/83/558282483.db2.gz LEPVNOMIKSBSLY-INIZCTEOSA-N 1 1 418.497 4.615 50 0 HJAAMO Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000011839457 558285981 /nfs/dbraw/zinc/28/59/81/558285981.db2.gz WKDXRHSTTJJGBD-LJQANCHMSA-N 1 1 420.532 4.857 50 0 HJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc5[nH]cnc5c4)C3)C2)cc1 ZINC000011935443 558299440 /nfs/dbraw/zinc/29/94/40/558299440.db2.gz GMMBXPOQZVVMCQ-SANMLTNESA-N 1 1 416.569 4.815 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000011935789 558299951 /nfs/dbraw/zinc/29/99/51/558299951.db2.gz NBHVQZRNEZUPQM-OAQYLSRUSA-N 1 1 423.605 4.615 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000011935789 558299953 /nfs/dbraw/zinc/29/99/53/558299953.db2.gz NBHVQZRNEZUPQM-OAQYLSRUSA-N 1 1 423.605 4.615 50 0 HJAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000011935789 558299957 /nfs/dbraw/zinc/29/99/57/558299957.db2.gz NBHVQZRNEZUPQM-OAQYLSRUSA-N 1 1 423.605 4.615 50 0 HJAAMO Cc1cccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000019897175 558303759 /nfs/dbraw/zinc/30/37/59/558303759.db2.gz KPKMGRIRTSCYQU-UHFFFAOYSA-N 1 1 414.549 4.616 50 0 HJAAMO CC(C)[N@@H+]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000020392442 558359279 /nfs/dbraw/zinc/35/92/79/558359279.db2.gz LXIYWLVOWNZPIB-UHFFFAOYSA-N 1 1 415.522 4.631 50 0 HJAAMO CC(C)[N@H+]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000020392442 558359282 /nfs/dbraw/zinc/35/92/82/558359282.db2.gz LXIYWLVOWNZPIB-UHFFFAOYSA-N 1 1 415.522 4.631 50 0 HJAAMO c1csc(-c2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000020421618 558361895 /nfs/dbraw/zinc/36/18/95/558361895.db2.gz AYBCOJPSRDXMRJ-UHFFFAOYSA-N 1 1 416.550 4.705 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc2)c1 ZINC000012306056 558374902 /nfs/dbraw/zinc/37/49/02/558374902.db2.gz CGMHQZKPVGSVDQ-QFIPXVFZSA-N 1 1 415.537 4.916 50 0 HJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012447307 558414684 /nfs/dbraw/zinc/41/46/84/558414684.db2.gz FRAVETKUSZUPLO-SFHVURJKSA-N 1 1 421.566 4.902 50 0 HJAAMO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000012447503 558415019 /nfs/dbraw/zinc/41/50/19/558415019.db2.gz AEIQEFCRIHIYPA-SFHVURJKSA-N 1 1 400.482 4.674 50 0 HJAAMO COc1ccc(CN2CC[C@H]([N@@H+](C)CC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012453599 558416378 /nfs/dbraw/zinc/41/63/78/558416378.db2.gz KVERCLHIURHGKV-IEFUJUGPSA-N 1 1 410.602 4.725 50 0 HJAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012459501 558418770 /nfs/dbraw/zinc/41/87/70/558418770.db2.gz ZNTOEJFQLODUMK-UHFFFAOYSA-N 1 1 421.495 4.882 50 0 HJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCc1ccccc1C ZINC000012476407 558422881 /nfs/dbraw/zinc/42/28/81/558422881.db2.gz NTIQAOZHPUQMSP-XMMPIXPASA-N 1 1 422.613 4.739 50 0 HJAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012584611 558433593 /nfs/dbraw/zinc/43/35/93/558433593.db2.gz QTWIPPUXRICUMY-HXUWFJFHSA-N 1 1 403.526 4.664 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@@H]2CCCO)c(F)c1 ZINC000012597170 558438147 /nfs/dbraw/zinc/43/81/47/558438147.db2.gz BMPMYCDPVPJVGR-HXUWFJFHSA-N 1 1 423.532 4.814 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2c(C)n[nH]c2C)c(F)c1 ZINC000012711620 558452729 /nfs/dbraw/zinc/45/27/29/558452729.db2.gz NTOAQWKTUCBGCQ-UHFFFAOYSA-N 1 1 419.504 4.659 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2c(C)n[nH]c2C)c(F)c1 ZINC000012711620 558452732 /nfs/dbraw/zinc/45/27/32/558452732.db2.gz NTOAQWKTUCBGCQ-UHFFFAOYSA-N 1 1 419.504 4.659 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)NCc1ccc(F)c(F)c1 ZINC000012714724 558454604 /nfs/dbraw/zinc/45/46/04/558454604.db2.gz PJMXLIAIKSWHCM-GOSISDBHSA-N 1 1 423.507 4.822 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012797207 558469852 /nfs/dbraw/zinc/46/98/52/558469852.db2.gz UBZAMTITGVDGTF-QFIPXVFZSA-N 1 1 422.960 4.709 50 0 HJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000013594322 558546590 /nfs/dbraw/zinc/54/65/90/558546590.db2.gz STLANVPBNLOVOP-OEMHODTASA-N 1 1 410.533 4.656 50 0 HJAAMO O=C1N[C@H](c2ccccc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004525609 558653267 /nfs/dbraw/zinc/65/32/67/558653267.db2.gz CUQFOSGSPVKUHZ-FQEVSTJZSA-N 1 1 409.942 4.814 50 0 HJAAMO O=C1N[C@H](c2ccccc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004525609 558653268 /nfs/dbraw/zinc/65/32/68/558653268.db2.gz CUQFOSGSPVKUHZ-FQEVSTJZSA-N 1 1 409.942 4.814 50 0 HJAAMO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663731 558678934 /nfs/dbraw/zinc/67/89/34/558678934.db2.gz RRNGWJZTQHCSGU-QFIPXVFZSA-N 1 1 400.950 4.679 50 0 HJAAMO COc1ccc(/C=C/CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680468 /nfs/dbraw/zinc/68/04/68/558680468.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680471 /nfs/dbraw/zinc/68/04/71/558680471.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680474 /nfs/dbraw/zinc/68/04/74/558680474.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 1 1 408.586 4.604 50 0 HJAAMO COc1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680478 /nfs/dbraw/zinc/68/04/78/558680478.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 1 1 408.586 4.604 50 0 HJAAMO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000014978424 558690153 /nfs/dbraw/zinc/69/01/53/558690153.db2.gz IYRLTOAVQPMZSQ-QHCPKHFHSA-N 1 1 422.525 4.746 50 0 HJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCCC1 ZINC000014978597 558690157 /nfs/dbraw/zinc/69/01/57/558690157.db2.gz RICOZIVKAWUCGL-IBGZPJMESA-N 1 1 410.524 4.999 50 0 HJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccsc1 ZINC000014980179 558690924 /nfs/dbraw/zinc/69/09/24/558690924.db2.gz JJILXKQEWAVFGK-QGZVFWFLSA-N 1 1 410.505 4.794 50 0 HJAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000014989905 558693862 /nfs/dbraw/zinc/69/38/62/558693862.db2.gz KSAASYAGMQMISL-FQEVSTJZSA-N 1 1 417.582 4.968 50 0 HJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000015358496 558735620 /nfs/dbraw/zinc/73/56/20/558735620.db2.gz AFMMGAYMLJFMHN-IBGZPJMESA-N 1 1 419.319 4.967 50 0 HJAAMO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000015860076 558757938 /nfs/dbraw/zinc/75/79/38/558757938.db2.gz FDQNNNZJWGTYID-LJQANCHMSA-N 1 1 413.905 4.791 50 0 HJAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1)C(C)C ZINC000060350599 558860468 /nfs/dbraw/zinc/86/04/68/558860468.db2.gz VVJOUGVWNVXYDD-UHFFFAOYSA-N 1 1 402.922 4.984 50 0 HJAAMO Cc1cccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385834 558880842 /nfs/dbraw/zinc/88/08/42/558880842.db2.gz GAZSZYRSNSFEFV-SFHVURJKSA-N 1 1 401.489 4.970 50 0 HJAAMO Cc1cccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385834 558880844 /nfs/dbraw/zinc/88/08/44/558880844.db2.gz GAZSZYRSNSFEFV-SFHVURJKSA-N 1 1 401.489 4.970 50 0 HJAAMO Cc1ccc2nc(C[N@H+]([C@@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc(=O)n2c1 ZINC000059578028 558937609 /nfs/dbraw/zinc/93/76/09/558937609.db2.gz NRSPPOUBAVUGLZ-HNNXBMFYSA-N 1 1 401.432 4.747 50 0 HJAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059890 558953992 /nfs/dbraw/zinc/95/39/92/558953992.db2.gz FBLLLHQIMGOCIK-IBGZPJMESA-N 1 1 418.566 4.727 50 0 HJAAMO CCCCc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)[nH]1 ZINC000072440148 558981365 /nfs/dbraw/zinc/98/13/65/558981365.db2.gz MEHFGNNSALYJGI-XMMPIXPASA-N 1 1 400.611 4.537 50 0 HJAAMO CCCCc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH]1 ZINC000072440148 558981369 /nfs/dbraw/zinc/98/13/69/558981369.db2.gz MEHFGNNSALYJGI-XMMPIXPASA-N 1 1 400.611 4.537 50 0 HJAAMO CCCCc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH]1 ZINC000072440148 558981374 /nfs/dbraw/zinc/98/13/74/558981374.db2.gz MEHFGNNSALYJGI-XMMPIXPASA-N 1 1 400.611 4.537 50 0 HJAAMO CC[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458285 558983025 /nfs/dbraw/zinc/98/30/25/558983025.db2.gz SHKRZCISPGZBOH-QFIPXVFZSA-N 1 1 401.510 4.955 50 0 HJAAMO CC[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458285 558983028 /nfs/dbraw/zinc/98/30/28/558983028.db2.gz SHKRZCISPGZBOH-QFIPXVFZSA-N 1 1 401.510 4.955 50 0 HJAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3nccs3)CC2)c1 ZINC000067458777 558986794 /nfs/dbraw/zinc/98/67/94/558986794.db2.gz CTEILAYEFODXDN-UHFFFAOYSA-N 1 1 407.539 4.669 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)C1CCCCC1 ZINC000033267189 558988788 /nfs/dbraw/zinc/98/87/88/558988788.db2.gz CITPZEJMGKQGLO-UHFFFAOYSA-N 1 1 402.542 4.681 50 0 HJAAMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000072303032 559124045 /nfs/dbraw/zinc/12/40/45/559124045.db2.gz WOYMHWGSVYUFFU-HSZRJFAPSA-N 1 1 417.553 4.706 50 0 HJAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)o1 ZINC000023379463 559173638 /nfs/dbraw/zinc/17/36/38/559173638.db2.gz BOHOOBAULYGWQP-UHFFFAOYSA-N 1 1 411.505 4.761 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000005043806 559236395 /nfs/dbraw/zinc/23/63/95/559236395.db2.gz LYXRLBMIABRSQF-UHFFFAOYSA-N 1 1 413.537 4.840 50 0 HJAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000005516539 560604513 /nfs/dbraw/zinc/60/45/13/560604513.db2.gz PWKDSKMQHOTDTE-VXKWHMMOSA-N 1 1 413.868 4.539 50 0 HJAAMO Cc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000005520812 560605229 /nfs/dbraw/zinc/60/52/29/560605229.db2.gz DXWMAVXFNDXDGL-UHFFFAOYSA-N 1 1 409.433 4.556 50 0 HJAAMO COc1ccc(NC(=S)NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1Cl ZINC000104797704 560854890 /nfs/dbraw/zinc/85/48/90/560854890.db2.gz HACPGQGICGCOGG-CVEARBPZSA-N 1 1 403.979 4.718 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000045974110 568422806 /nfs/dbraw/zinc/42/28/06/568422806.db2.gz GUVGYGCNIPFBAG-UHFFFAOYSA-N 1 1 413.521 4.604 50 0 HJAAMO CCCCc1nn2c(nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc2=O)s1 ZINC000046032196 568424598 /nfs/dbraw/zinc/42/45/98/568424598.db2.gz CIYXNEFDWPGERS-UHFFFAOYSA-N 1 1 418.566 4.696 50 0 HJAAMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000049403612 568448333 /nfs/dbraw/zinc/44/83/33/568448333.db2.gz CDPHOYCVNYZJMC-UHFFFAOYSA-N 1 1 410.905 4.517 50 0 HJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300401 568464455 /nfs/dbraw/zinc/46/44/55/568464455.db2.gz WOBCKBPSHZXGRK-QGZVFWFLSA-N 1 1 418.472 4.813 50 0 HJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300401 568464457 /nfs/dbraw/zinc/46/44/57/568464457.db2.gz WOBCKBPSHZXGRK-QGZVFWFLSA-N 1 1 418.472 4.813 50 0 HJAAMO O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020286796 568597042 /nfs/dbraw/zinc/59/70/42/568597042.db2.gz AAHWIWNPSJYWSD-UHFFFAOYSA-N 1 1 419.956 4.725 50 0 HJAAMO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1Cl ZINC000020927151 568651530 /nfs/dbraw/zinc/65/15/30/568651530.db2.gz DTQPREOPEVIJEI-UHFFFAOYSA-N 1 1 414.962 4.810 50 0 HJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000020927139 568651587 /nfs/dbraw/zinc/65/15/87/568651587.db2.gz IHUHOUVDMFAOMX-UHFFFAOYSA-N 1 1 400.935 4.502 50 0 HJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000021149223 568671954 /nfs/dbraw/zinc/67/19/54/568671954.db2.gz PYQPUSRLSHCMRU-UHFFFAOYSA-N 1 1 405.477 4.781 50 0 HJAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794314 568753414 /nfs/dbraw/zinc/75/34/14/568753414.db2.gz GSZRVBJQHYTOBV-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794314 568753416 /nfs/dbraw/zinc/75/34/16/568753416.db2.gz GSZRVBJQHYTOBV-UHFFFAOYSA-N 1 1 417.513 4.780 50 0 HJAAMO CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc([NH+](CC)CC)cc1 ZINC000000951973 568757253 /nfs/dbraw/zinc/75/72/53/568757253.db2.gz IEETWEUKVIULJD-UHFFFAOYSA-N 1 1 421.497 4.788 50 0 HJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2c1 ZINC000021934768 568761966 /nfs/dbraw/zinc/76/19/66/568761966.db2.gz HSTWNITVMMJJIE-LJQANCHMSA-N 1 1 402.542 4.600 50 0 HJAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F ZINC000063110161 568824442 /nfs/dbraw/zinc/82/44/42/568824442.db2.gz FWAIWSAMFUKELE-UHFFFAOYSA-N 1 1 414.893 4.960 50 0 HJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057312430 568826635 /nfs/dbraw/zinc/82/66/35/568826635.db2.gz AJKWLCSCQYIHTN-HSZRJFAPSA-N 1 1 408.571 4.940 50 0 HJAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+](C)C1CCCCC1)C[C@H](C)CC2 ZINC000003252016 568848961 /nfs/dbraw/zinc/84/89/61/568848961.db2.gz JAENTPXHDYDHRN-HUUCEWRRSA-N 1 1 406.592 4.641 50 0 HJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2cc1C ZINC000057688786 568858434 /nfs/dbraw/zinc/85/84/34/568858434.db2.gz DZCYMGSTIGCNEJ-OAQYLSRUSA-N 1 1 405.494 4.908 50 0 HJAAMO CSCC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000003412944 568898458 /nfs/dbraw/zinc/89/84/58/568898458.db2.gz CXOPCKHXCXIOAS-MRXNPFEDSA-N 1 1 423.369 4.892 50 0 HJAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C=C12 ZINC000004085625 568940375 /nfs/dbraw/zinc/94/03/75/568940375.db2.gz YSZZLAPSDPZFFH-RXYZRBQLSA-N 1 1 413.558 4.575 50 0 biogenic HJAAMO Cc1ccc2c(C[N@H+](Cc3ccccc3)C[C@@H](O)c3ccsc3)cc(=O)oc2c1 ZINC000084208411 568944650 /nfs/dbraw/zinc/94/46/50/568944650.db2.gz UADYZFACHABWOK-JOCHJYFZSA-N 1 1 405.519 4.899 50 0 HJAAMO Cc1ccc(C[N@H+]2CCCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000012774722 568953801 /nfs/dbraw/zinc/95/38/01/568953801.db2.gz BCGXIASUEPABLM-UHFFFAOYSA-N 1 1 409.537 4.713 50 0 HJAAMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)no2)cc1 ZINC000007996981 568967614 /nfs/dbraw/zinc/96/76/14/568967614.db2.gz JTXIEBOHCAIZAN-NRFANRHFSA-N 1 1 423.513 4.536 50 0 HJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000008161512 568979114 /nfs/dbraw/zinc/97/91/14/568979114.db2.gz APYAWANKTRHHCI-DEOSSOPVSA-N 1 1 407.558 4.851 50 0 HJAAMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310426 568988865 /nfs/dbraw/zinc/98/88/65/568988865.db2.gz DDJYPJANQPKTHH-LJQANCHMSA-N 1 1 400.906 4.585 50 0 HJAAMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310426 568988868 /nfs/dbraw/zinc/98/88/68/568988868.db2.gz DDJYPJANQPKTHH-LJQANCHMSA-N 1 1 400.906 4.585 50 0 HJAAMO CCc1cc([C@@H](c2cccs2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546482 569000292 /nfs/dbraw/zinc/00/02/92/569000292.db2.gz LJFHVQBFNJCJBT-IBGZPJMESA-N 1 1 415.584 4.554 50 0 HJAAMO O=c1cc(-c2ccccc2)oc2ccc(-c3nc4ccc(C5=[NH+]CCCN5)cc4[nH]3)cc12 ZINC000033559608 569012707 /nfs/dbraw/zinc/01/27/07/569012707.db2.gz VVQZWLJLNDAECI-UHFFFAOYSA-N 1 1 420.472 4.743 50 0 HJAAMO CCn1c2ccccc2nc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000091575977 569053267 /nfs/dbraw/zinc/05/32/67/569053267.db2.gz IDRXOYLEWCRVEC-QHCPKHFHSA-N 1 1 424.633 4.692 50 0 HJAAMO CCn1c2ccccc2nc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000091575977 569053268 /nfs/dbraw/zinc/05/32/68/569053268.db2.gz IDRXOYLEWCRVEC-QHCPKHFHSA-N 1 1 424.633 4.692 50 0 HJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000245313093 569055798 /nfs/dbraw/zinc/05/57/98/569055798.db2.gz ZXPIQNFUJMPRQO-BYXVTNLJSA-N 1 1 422.569 4.619 50 0 HJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000245313093 569055799 /nfs/dbraw/zinc/05/57/99/569055799.db2.gz ZXPIQNFUJMPRQO-BYXVTNLJSA-N 1 1 422.569 4.619 50 0 HJAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3cccc(C)c3)c[nH]c21 ZINC000035768608 569058187 /nfs/dbraw/zinc/05/81/87/569058187.db2.gz ARXYFYRXYYTOKM-QHCPKHFHSA-N 1 1 403.570 4.725 50 0 HJAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CC(C)C)C[C@H](O)COc1ccccc1 ZINC000035840744 569062378 /nfs/dbraw/zinc/06/23/78/569062378.db2.gz GHFKSSBDPPECHK-VWLOTQADSA-N 1 1 406.570 4.743 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036043147 569082499 /nfs/dbraw/zinc/08/24/99/569082499.db2.gz OLZMJHFNJLMXNH-NIYFSFCBSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043147 569082500 /nfs/dbraw/zinc/08/25/00/569082500.db2.gz OLZMJHFNJLMXNH-NIYFSFCBSA-N 1 1 424.585 4.662 50 0 HJAAMO COc1ccccc1C[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000006653525 569082616 /nfs/dbraw/zinc/08/26/16/569082616.db2.gz GRZWIIIZFWRXMB-UHFFFAOYSA-N 1 1 411.914 4.603 50 0 HJAAMO CCC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206183 569109530 /nfs/dbraw/zinc/10/95/30/569109530.db2.gz KXYHYGHKWJTWGG-MRXNPFEDSA-N 1 1 419.978 4.676 50 0 HJAAMO CCC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206183 569109532 /nfs/dbraw/zinc/10/95/32/569109532.db2.gz KXYHYGHKWJTWGG-MRXNPFEDSA-N 1 1 419.978 4.676 50 0 HJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036316530 569135270 /nfs/dbraw/zinc/13/52/70/569135270.db2.gz MAMHDDOHHSLBEO-GOSISDBHSA-N 1 1 423.532 4.959 50 0 HJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344734 569142787 /nfs/dbraw/zinc/14/27/87/569142787.db2.gz VUZNZWUUJTVQJI-DEOSSOPVSA-N 1 1 423.532 4.777 50 0 HJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036346432 569143595 /nfs/dbraw/zinc/14/35/95/569143595.db2.gz FCOMGSJGIKTONW-KRWDZBQOSA-N 1 1 409.505 4.705 50 0 HJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348554 569144505 /nfs/dbraw/zinc/14/45/05/569144505.db2.gz DCPPGEOULBBBDE-HSZRJFAPSA-N 1 1 406.526 4.818 50 0 HJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348554 569144506 /nfs/dbraw/zinc/14/45/06/569144506.db2.gz DCPPGEOULBBBDE-HSZRJFAPSA-N 1 1 406.526 4.818 50 0 HJAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000170629382 569250795 /nfs/dbraw/zinc/25/07/95/569250795.db2.gz DQPBNQAYCKPZGS-RBSBEOHCSA-N 1 1 421.651 4.756 50 0 HJAAMO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000089618603 569261211 /nfs/dbraw/zinc/26/12/11/569261211.db2.gz NBYNTEDAZGMGLK-UHFFFAOYSA-N 1 1 401.510 4.669 50 0 HJAAMO COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000089618603 569261212 /nfs/dbraw/zinc/26/12/12/569261212.db2.gz NBYNTEDAZGMGLK-UHFFFAOYSA-N 1 1 401.510 4.669 50 0 HJAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccc(Cl)cc32)CC1 ZINC000055054012 569380702 /nfs/dbraw/zinc/38/07/02/569380702.db2.gz HGGWVYHOQATRJK-UHFFFAOYSA-N 1 1 407.945 4.950 50 0 HJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000012996010 569406193 /nfs/dbraw/zinc/40/61/93/569406193.db2.gz WOOJVXIXQKIESK-UHFFFAOYSA-N 1 1 415.562 4.797 50 0 HJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000012996010 569406194 /nfs/dbraw/zinc/40/61/94/569406194.db2.gz WOOJVXIXQKIESK-UHFFFAOYSA-N 1 1 415.562 4.797 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(Cc2ccccc2)c2ccccc12 ZINC000079188520 569429080 /nfs/dbraw/zinc/42/90/80/569429080.db2.gz KLDFHNDENITBNO-XUZZJYLKSA-N 1 1 401.554 4.684 50 0 biogenic HJAAMO CSc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000008912269 571148312 /nfs/dbraw/zinc/14/83/12/571148312.db2.gz AJRGSLQVGKHHFP-UHFFFAOYSA-N 1 1 412.584 4.570 50 0 HJAAMO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000009466005 571261062 /nfs/dbraw/zinc/26/10/62/571261062.db2.gz FDJNJIQCWHCLAA-RUZDIDTESA-N 1 1 413.521 4.591 50 0 HJAAMO O=C(C[NH+]1CCC(COCc2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000077191535 571312194 /nfs/dbraw/zinc/31/21/94/571312194.db2.gz HINMMPKUNFZRSJ-UHFFFAOYSA-N 1 1 424.438 4.712 50 0 HJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020595001 521364533 /nfs/dbraw/zinc/36/45/33/521364533.db2.gz PSZXUYATSKYKMD-UHFFFAOYSA-N 1 1 401.514 4.950 50 0 HJAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccccc1Cl ZINC000040047562 522025908 /nfs/dbraw/zinc/02/59/08/522025908.db2.gz NWEFIXPIUWHVQA-JXFKEZNVSA-N 1 1 418.990 4.644 50 0 HJAAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccccc1Cl ZINC000040047565 522082052 /nfs/dbraw/zinc/08/20/52/522082052.db2.gz NWEFIXPIUWHVQA-OXJNMPFZSA-N 1 1 418.990 4.644 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc(OC)c1 ZINC000042628398 522373617 /nfs/dbraw/zinc/37/36/17/522373617.db2.gz PCUIPVABADUAKV-MRXNPFEDSA-N 1 1 413.468 4.752 50 0 HJAAMO Fc1cc2cccnc2c(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000032825215 526312537 /nfs/dbraw/zinc/31/25/37/526312537.db2.gz YTGNYBZRGNAPIW-UHFFFAOYSA-N 1 1 404.411 4.500 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccccc3F)O2)[C@@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000002917720 557426809 /nfs/dbraw/zinc/42/68/09/557426809.db2.gz BUONHBQGPCMUIN-RPWUZVMVSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3)N3NC=NC3=[NH+]1)[C@@H](c1ccccc1F)O2 ZINC000002917719 557426912 /nfs/dbraw/zinc/42/69/12/557426912.db2.gz BUONHBQGPCMUIN-DNQXCXABSA-N 1 1 410.452 4.938 50 0 HJAAMO Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034739944 557443237 /nfs/dbraw/zinc/44/32/37/557443237.db2.gz AYBYCZDHBSQLCF-NHCUHLMSSA-N 1 1 414.952 4.919 50 0 HJAAMO Cc1cc([C@@H]2C[C@H](C(=O)NCC3CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034739942 557443259 /nfs/dbraw/zinc/44/32/59/557443259.db2.gz AYBYCZDHBSQLCF-RTWAWAEBSA-N 1 1 414.952 4.919 50 0 HJAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)C3CCCCC3)nn2-c2ccccc2)C1 ZINC000034762223 557460191 /nfs/dbraw/zinc/46/01/91/557460191.db2.gz LKQKPFKSNWEKFL-UHFFFAOYSA-N 1 1 420.601 4.569 50 0 HJAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)C3CCCCC3)nn2-c2ccccc2)C1 ZINC000034762223 557460196 /nfs/dbraw/zinc/46/01/96/557460196.db2.gz LKQKPFKSNWEKFL-UHFFFAOYSA-N 1 1 420.601 4.569 50 0 HJAAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011769768 558274364 /nfs/dbraw/zinc/27/43/64/558274364.db2.gz KPFORANFLGMYAZ-QFIPXVFZSA-N 1 1 419.525 4.659 50 0 HJAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1 ZINC000019799910 558285273 /nfs/dbraw/zinc/28/52/73/558285273.db2.gz CVDGVJNSAKURNC-OAHLLOKOSA-N 1 1 413.468 4.752 50 0 HJAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011879488 558294132 /nfs/dbraw/zinc/29/41/32/558294132.db2.gz NXAOVKGAUNRCPI-SFHVURJKSA-N 1 1 421.472 4.512 50 0 HJAAMO Brc1ccc2c(c1)c1cc(Br)ccc1n2C[NH+]1CCOCC1 ZINC000019898307 558304324 /nfs/dbraw/zinc/30/43/24/558304324.db2.gz SZPIGOMAZMVFQC-UHFFFAOYSA-N 1 1 424.136 4.609 50 0 HJAAMO OC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000012072809 558318030 /nfs/dbraw/zinc/31/80/30/558318030.db2.gz JEEZISOEUTVTAG-HXUWFJFHSA-N 1 1 401.510 4.549 50 0 HJAAMO c1cncc(CN(Cc2ccc3nonc3c2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012075284 558319347 /nfs/dbraw/zinc/31/93/47/558319347.db2.gz HOTPJMJTTJXBRJ-QFIPXVFZSA-N 1 1 419.573 4.665 50 0 HJAAMO Cc1cccn2c(C[N@H+](C)[C@@H]3CCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000012299727 558369546 /nfs/dbraw/zinc/36/95/46/558369546.db2.gz YRHBINDZPIYLBV-JOCHJYFZSA-N 1 1 416.569 4.778 50 0 HJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc2)c1 ZINC000012306054 558375111 /nfs/dbraw/zinc/37/51/11/558375111.db2.gz CGMHQZKPVGSVDQ-JOCHJYFZSA-N 1 1 415.537 4.916 50 0 HJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387138 558395837 /nfs/dbraw/zinc/39/58/37/558395837.db2.gz QHNFEBKDOBNEEP-KRWDZBQOSA-N 1 1 418.990 4.913 50 0 HJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387138 558395838 /nfs/dbraw/zinc/39/58/38/558395838.db2.gz QHNFEBKDOBNEEP-KRWDZBQOSA-N 1 1 418.990 4.913 50 0 HJAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000012387586 558396434 /nfs/dbraw/zinc/39/64/34/558396434.db2.gz SPTGTNQNBFXBCX-IBGZPJMESA-N 1 1 415.965 4.767 50 0 HJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012458820 558418574 /nfs/dbraw/zinc/41/85/74/558418574.db2.gz CBGABKBEPWUHFV-UHFFFAOYSA-N 1 1 403.505 4.661 50 0 HJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012458820 558418578 /nfs/dbraw/zinc/41/85/78/558418578.db2.gz CBGABKBEPWUHFV-UHFFFAOYSA-N 1 1 403.505 4.661 50 0 HJAAMO COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012586976 558434339 /nfs/dbraw/zinc/43/43/39/558434339.db2.gz RCJFQPFJGXIEIA-BCDMVZSVSA-N 1 1 422.956 4.627 50 0 HJAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3cc(F)ccc3F)oc2C)CC1 ZINC000012587619 558434646 /nfs/dbraw/zinc/43/46/46/558434646.db2.gz OROYRKDBQOZVHO-UHFFFAOYSA-N 1 1 414.452 4.980 50 0 HJAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805378 558450526 /nfs/dbraw/zinc/45/05/26/558450526.db2.gz CLMHWLJISKMDTP-OAQYLSRUSA-N 1 1 409.917 4.952 50 0 HJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022199631 558466342 /nfs/dbraw/zinc/46/63/42/558466342.db2.gz ZZVKQLUHRZBAJT-AWEZNQCLSA-N 1 1 418.328 4.596 50 0 HJAAMO CC[N@@H+]1CCc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 ZINC000012804705 558473024 /nfs/dbraw/zinc/47/30/24/558473024.db2.gz OOPKVCZYQVJWSQ-UHFFFAOYSA-N 1 1 414.358 4.626 50 0 HJAAMO CC[N@H+]1CCc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 ZINC000012804705 558473026 /nfs/dbraw/zinc/47/30/26/558473026.db2.gz OOPKVCZYQVJWSQ-UHFFFAOYSA-N 1 1 414.358 4.626 50 0 HJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 ZINC000022293792 558476707 /nfs/dbraw/zinc/47/67/07/558476707.db2.gz DQKQNFJFJHXCPR-STQMWFEESA-N 1 1 408.365 4.636 50 0 HJAAMO CC(C)c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)on1 ZINC000023129556 558536958 /nfs/dbraw/zinc/53/69/58/558536958.db2.gz PEKMMDTUTKTFPE-UHFFFAOYSA-N 1 1 416.481 4.669 50 0 HJAAMO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000013570644 558542156 /nfs/dbraw/zinc/54/21/56/558542156.db2.gz JRKXZSDHWWDBMI-RZTXVSJASA-N 1 1 416.908 4.716 50 0 HJAAMO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000013570644 558542159 /nfs/dbraw/zinc/54/21/59/558542159.db2.gz JRKXZSDHWWDBMI-RZTXVSJASA-N 1 1 416.908 4.716 50 0 HJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004457277 558590065 /nfs/dbraw/zinc/59/00/65/558590065.db2.gz NNICBAXLGZEEDC-JOCHJYFZSA-N 1 1 404.526 4.697 50 0 HJAAMO O=c1[nH]c(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2c3ccccc3oc21 ZINC000027574665 558675481 /nfs/dbraw/zinc/67/54/81/558675481.db2.gz RXZBVRHKIBRTAS-UHFFFAOYSA-N 1 1 417.465 4.755 50 0 HJAAMO O=c1[nH]c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2c3ccccc3oc21 ZINC000027574665 558675483 /nfs/dbraw/zinc/67/54/83/558675483.db2.gz RXZBVRHKIBRTAS-UHFFFAOYSA-N 1 1 417.465 4.755 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1)Nc1ccccc1F ZINC000014957402 558682819 /nfs/dbraw/zinc/68/28/19/558682819.db2.gz PWEFSZAOPHHTHV-OAHLLOKOSA-N 1 1 418.896 4.839 50 0 HJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1)Nc1ccccc1F ZINC000015065453 558708267 /nfs/dbraw/zinc/70/82/67/558708267.db2.gz QRQRYXVOQZMECE-LJQANCHMSA-N 1 1 406.505 4.642 50 0 HJAAMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955230 558747008 /nfs/dbraw/zinc/74/70/08/558747008.db2.gz QNNZYZWNGLYCAH-UHFFFAOYSA-N 1 1 410.905 4.549 50 0 HJAAMO CSCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000032988558 558808203 /nfs/dbraw/zinc/80/82/03/558808203.db2.gz BHNVWVDLHFPESI-GOSISDBHSA-N 1 1 402.947 4.982 50 0 HJAAMO Cc1ccsc1C[N@@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000055042048 558870468 /nfs/dbraw/zinc/87/04/68/558870468.db2.gz VASUIZDZYKJUFW-XMMPIXPASA-N 1 1 409.551 4.738 50 0 HJAAMO Cc1ccsc1C[N@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000055042048 558870469 /nfs/dbraw/zinc/87/04/69/558870469.db2.gz VASUIZDZYKJUFW-XMMPIXPASA-N 1 1 409.551 4.738 50 0 HJAAMO COc1cccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060442 558870937 /nfs/dbraw/zinc/87/09/37/558870937.db2.gz NLPGJEYPVMXWQX-HXUWFJFHSA-N 1 1 416.993 4.744 50 0 HJAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)cnn1-c1cccc(F)c1 ZINC000055244544 558877256 /nfs/dbraw/zinc/87/72/56/558877256.db2.gz NSGZWUXKHFGDIZ-KRWDZBQOSA-N 1 1 401.489 4.936 50 0 HJAAMO COc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358233 558880004 /nfs/dbraw/zinc/88/00/04/558880004.db2.gz FWCRHJYCKFZIAA-QGZVFWFLSA-N 1 1 417.488 4.670 50 0 HJAAMO COc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358233 558880005 /nfs/dbraw/zinc/88/00/05/558880005.db2.gz FWCRHJYCKFZIAA-QGZVFWFLSA-N 1 1 417.488 4.670 50 0 HJAAMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000058055633 558897352 /nfs/dbraw/zinc/89/73/52/558897352.db2.gz YYDKSBIOERXBAU-UHFFFAOYSA-N 1 1 422.598 4.606 50 0 HJAAMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000058196082 558910884 /nfs/dbraw/zinc/91/08/84/558910884.db2.gz RTVLUNYFZQBGNR-SFHVURJKSA-N 1 1 421.541 4.541 50 0 HJAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccnc3c(Cl)cccc23)C1 ZINC000071770923 558911343 /nfs/dbraw/zinc/91/13/43/558911343.db2.gz JJMUFOYJVPDJMZ-MRXNPFEDSA-N 1 1 408.933 4.846 50 0 HJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000033059980 558954190 /nfs/dbraw/zinc/95/41/90/558954190.db2.gz GORIBQXUWYOWPO-MRXNPFEDSA-N 1 1 410.587 4.556 50 0 HJAAMO COc1cc2cc(C[N@H+]3CCC[C@@H]3CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072439360 558981513 /nfs/dbraw/zinc/98/15/13/558981513.db2.gz GCYZQDQNSBUPQP-LJQANCHMSA-N 1 1 412.917 4.529 50 0 HJAAMO COc1cc2cc(C[N@H+]3CCC[C@H]3CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072463327 558983050 /nfs/dbraw/zinc/98/30/50/558983050.db2.gz GCYZQDQNSBUPQP-IBGZPJMESA-N 1 1 412.917 4.529 50 0 HJAAMO COC[C@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072479102 558983853 /nfs/dbraw/zinc/98/38/53/558983853.db2.gz AXAAXFUYCRQXCL-HNNXBMFYSA-N 1 1 410.901 4.752 50 0 HJAAMO COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](C(C)C)C4)nc12 ZINC000067804974 558993206 /nfs/dbraw/zinc/99/32/06/558993206.db2.gz JJUQUZDJUWBCCH-UHFFFAOYSA-N 1 1 422.525 4.839 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000033318330 559055922 /nfs/dbraw/zinc/05/59/22/559055922.db2.gz WHBKMIUIESVDPR-UHFFFAOYSA-N 1 1 411.893 4.509 50 0 HJAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000033318330 559055924 /nfs/dbraw/zinc/05/59/24/559055924.db2.gz WHBKMIUIESVDPR-UHFFFAOYSA-N 1 1 411.893 4.509 50 0 HJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000023317753 559117587 /nfs/dbraw/zinc/11/75/87/559117587.db2.gz JWUPBBFJKBPNEY-QHCPKHFHSA-N 1 1 405.929 4.591 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)C[C@@H]2C)c1 ZINC000061997585 560565065 /nfs/dbraw/zinc/56/50/65/560565065.db2.gz LIJUVLVUENDGRW-HNWBOLROSA-N 1 1 422.613 4.964 50 0 biogenic HJAAMO Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000033281919 568513412 /nfs/dbraw/zinc/51/34/12/568513412.db2.gz SNWGFGMTLPWVRN-UHFFFAOYSA-N 1 1 401.554 4.785 50 0 HJAAMO Cc1ccc(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(N2CCCC2)c1 ZINC000095462830 568621698 /nfs/dbraw/zinc/62/16/98/568621698.db2.gz KPTRBOXTKNZMMU-QHCPKHFHSA-N 1 1 405.586 4.673 50 0 HJAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000225497698 568643430 /nfs/dbraw/zinc/64/34/30/568643430.db2.gz LHACUERKTLIFIV-LJQANCHMSA-N 1 1 418.944 4.500 50 0 HJAAMO CC1CC[NH+](CCC[C@H](NCc2ccccc2OCCO)c2ccc(F)cc2)CC1 ZINC000225509847 568644895 /nfs/dbraw/zinc/64/48/95/568644895.db2.gz JVKIUVVTANTPDA-DEOSSOPVSA-N 1 1 414.565 4.540 50 0 HJAAMO CCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868268 568646976 /nfs/dbraw/zinc/64/69/76/568646976.db2.gz DOCKAWZPPGQRNL-BJKOFHAPSA-N 1 1 417.977 4.842 50 0 HJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC000021934772 568761923 /nfs/dbraw/zinc/76/19/23/568761923.db2.gz HSTWNITVMMJJIE-IBGZPJMESA-N 1 1 402.542 4.600 50 0 HJAAMO C[C@@H]1C[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012561501 568858563 /nfs/dbraw/zinc/85/85/63/568858563.db2.gz MUDFBKCKCRBPPG-VWKPWSFCSA-N 1 1 424.368 4.570 50 0 HJAAMO COc1ccc(C[NH2+][C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OC ZINC000003250282 568867719 /nfs/dbraw/zinc/86/77/19/568867719.db2.gz ZKAJPSHBSAIWRR-DEOSSOPVSA-N 1 1 404.510 4.790 50 0 HJAAMO C[N@H+](Cc1cccc(F)c1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003431387 568901953 /nfs/dbraw/zinc/90/19/53/568901953.db2.gz PACDZHLXKMTNLL-HSZRJFAPSA-N 1 1 415.455 4.703 50 0 HJAAMO O=C(CC[N@H+]1CCc2ccccc2[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000001293830 568913005 /nfs/dbraw/zinc/91/30/05/568913005.db2.gz MRBRTBIIJAGDSN-DEOSSOPVSA-N 1 1 413.517 4.721 50 0 aggregator HJAAMO COc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000004247763 568953521 /nfs/dbraw/zinc/95/35/21/568953521.db2.gz FZNQEUJMJZGYNA-RUZDIDTESA-N 1 1 414.505 4.976 50 0 HJAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000008316524 568990255 /nfs/dbraw/zinc/99/02/55/568990255.db2.gz SCKJXBJENDOZST-UHFFFAOYSA-N 1 1 420.509 4.597 50 0 HJAAMO Fc1ccc(-c2ccc(OCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)c(F)c1 ZINC000045068800 569012983 /nfs/dbraw/zinc/01/29/83/569012983.db2.gz UXPHVKZFNDBLJC-UHFFFAOYSA-N 1 1 408.492 4.828 50 0 HJAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862336 569015803 /nfs/dbraw/zinc/01/58/03/569015803.db2.gz LLXXEVLXDPMNJJ-UHFFFAOYSA-N 1 1 400.906 4.611 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000006509632 569062010 /nfs/dbraw/zinc/06/20/10/569062010.db2.gz GWHRXXVAEJAWRU-GOSISDBHSA-N 1 1 402.494 4.584 50 0 HJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000006509632 569062011 /nfs/dbraw/zinc/06/20/11/569062011.db2.gz GWHRXXVAEJAWRU-GOSISDBHSA-N 1 1 402.494 4.584 50 0 HJAAMO CC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CC[NH+](CC)CC1)n2Cc1ccccc1 ZINC000035908488 569065448 /nfs/dbraw/zinc/06/54/48/569065448.db2.gz MSOHNOWWNOFBOQ-HXUWFJFHSA-N 1 1 419.569 4.645 50 0 HJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006639392 569077851 /nfs/dbraw/zinc/07/78/51/569077851.db2.gz FRNBYIBQWMWSJG-UHFFFAOYSA-N 1 1 419.550 4.731 50 0 HJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006639392 569077853 /nfs/dbraw/zinc/07/78/53/569077853.db2.gz FRNBYIBQWMWSJG-UHFFFAOYSA-N 1 1 419.550 4.731 50 0 HJAAMO Cc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064800892 569097640 /nfs/dbraw/zinc/09/76/40/569097640.db2.gz SLMVSWXBZAJELO-UHFFFAOYSA-N 1 1 401.514 4.998 50 0 HJAAMO CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146319 569098675 /nfs/dbraw/zinc/09/86/75/569098675.db2.gz FDNWKKVCEHPPHI-RTWAWAEBSA-N 1 1 404.913 4.635 50 0 HJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)CC ZINC000036302191 569128718 /nfs/dbraw/zinc/12/87/18/569128718.db2.gz JNLLBWRKAQCARS-NRFANRHFSA-N 1 1 423.557 4.965 50 0 HJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036305496 569129520 /nfs/dbraw/zinc/12/95/20/569129520.db2.gz QCNJWGCJICWAPZ-HXUWFJFHSA-N 1 1 421.541 4.623 50 0 HJAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036345098 569143010 /nfs/dbraw/zinc/14/30/10/569143010.db2.gz IXQJZOXVNQLRDG-YADARESESA-N 1 1 405.542 4.556 50 0 HJAAMO CC[C@H](NC(=O)Nc1cccc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877426 569164262 /nfs/dbraw/zinc/16/42/62/569164262.db2.gz NKURUZASQSLFPS-IBGZPJMESA-N 1 1 424.570 4.808 50 0 HJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007363008 569235418 /nfs/dbraw/zinc/23/54/18/569235418.db2.gz WKPACDBSEVPPRR-SJLPKXTDSA-N 1 1 411.596 4.901 50 0 HJAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1cccs1)n1cccc1 ZINC000170608047 569245156 /nfs/dbraw/zinc/24/51/56/569245156.db2.gz SJTIFQJXXHCDHT-GOTSBHOMSA-N 1 1 421.610 4.900 50 0 HJAAMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007607201 569295227 /nfs/dbraw/zinc/29/52/27/569295227.db2.gz WXXWORPXSCHHCB-WMZOPIPTSA-N 1 1 411.546 4.662 50 0 HJAAMO Cc1ccc(-c2nc3sc(N4CC[NH+](C)CC4)nn3c2NC2CCCCC2)cc1C ZINC000013347103 569410679 /nfs/dbraw/zinc/41/06/79/569410679.db2.gz RWTGAVJZDAWLOB-UHFFFAOYSA-N 1 1 424.618 4.571 50 0 HJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccccc2n1Cc1ccccc1 ZINC000079188386 569429089 /nfs/dbraw/zinc/42/90/89/569429089.db2.gz RECRTMMMTVTQFB-XZOQPEGZSA-N 1 1 401.554 4.684 50 0 biogenic HJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC(=O)Nc3c(C)cccc3C)c2c1C ZINC000008750660 571112207 /nfs/dbraw/zinc/11/22/07/571112207.db2.gz GGSKWVRBBGGVEH-UHFFFAOYSA-N 1 1 423.586 4.571 50 0 HJAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245279580 571222385 /nfs/dbraw/zinc/22/23/85/571222385.db2.gz IXQJZOXVNQLRDG-DVECYGJZSA-N 1 1 405.542 4.556 50 0 HJAAMO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000069947883 571250692 /nfs/dbraw/zinc/25/06/92/571250692.db2.gz AGBWZCBNOICRAD-UHFFFAOYSA-N 1 1 421.972 4.782 50 0 HJAAMO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000069947883 571250693 /nfs/dbraw/zinc/25/06/93/571250693.db2.gz AGBWZCBNOICRAD-UHFFFAOYSA-N 1 1 421.972 4.782 50 0 HJAAMO CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000009435860 571258921 /nfs/dbraw/zinc/25/89/21/571258921.db2.gz JEOHXSBJGIQURG-UHFFFAOYSA-N 1 1 423.738 4.614 50 0 HJAAMO O=C(CCN1CC[N@H+]2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019804668 291280217 /nfs/dbraw/zinc/28/02/17/291280217.db2.gz ZQTOZLYOIRKCPL-QGZVFWFLSA-N 1 1 413.974 4.639 50 0 in-man HJAAMO C[N@@H+](CC[C@@H]1CCCCO1)C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000011912754 132352230 /nfs/dbraw/zinc/35/22/30/132352230.db2.gz QWDLRURSFXIIPX-DEOSSOPVSA-N 1 1 413.606 4.675 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1F ZINC000020601495 522378941 /nfs/dbraw/zinc/37/89/41/522378941.db2.gz NQLQYSBVONGGAR-HNNXBMFYSA-N 1 1 401.432 4.882 50 0 HJAAMO C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000032754804 523376002 /nfs/dbraw/zinc/37/60/02/523376002.db2.gz DIEPJXIZAWYRFT-QFIPXVFZSA-N 1 1 423.582 4.893 50 0 HJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000000635830 557029390 /nfs/dbraw/zinc/02/93/90/557029390.db2.gz XRTBKCWHMCZXPD-DHIUTWEWSA-N 1 1 414.415 4.769 50 0 HJAAMO O=C(CCC[N@H+]1CCc2ccccc2[C@@](O)(c2ccccc2)C1)c1ccc(F)cc1 ZINC000000890013 557111938 /nfs/dbraw/zinc/11/19/38/557111938.db2.gz JWZRVYDLYIOJEI-SANMLTNESA-N 1 1 403.497 4.583 50 0 HJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001447719 557266930 /nfs/dbraw/zinc/26/69/30/557266930.db2.gz LYFQYWGUPJANIH-FQEVSTJZSA-N 1 1 400.482 4.687 50 0 HJAAMO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)cc3)o2)CC1 ZINC000034684994 557388269 /nfs/dbraw/zinc/38/82/69/557388269.db2.gz XAGHENCPOYRBGU-UHFFFAOYSA-N 1 1 416.521 4.963 50 0 HJAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000004989084 557621787 /nfs/dbraw/zinc/62/17/87/557621787.db2.gz WJQZLOXABWPCAW-UHFFFAOYSA-N 1 1 421.537 4.966 50 0 HJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055224 557631938 /nfs/dbraw/zinc/63/19/38/557631938.db2.gz QDGKQVCGNWUIFT-HDICACEKSA-N 1 1 400.530 4.619 50 0 HJAAMO CCOc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720807 558259000 /nfs/dbraw/zinc/25/90/00/558259000.db2.gz HETVXAOXTDUYDJ-UHFFFAOYSA-N 1 1 400.522 4.633 50 0 HJAAMO Cc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000011705174 558270849 /nfs/dbraw/zinc/27/08/49/558270849.db2.gz BKMLTSCUMQSIFE-JOCHJYFZSA-N 1 1 400.538 4.620 50 0 HJAAMO Cc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000011705174 558270851 /nfs/dbraw/zinc/27/08/51/558270851.db2.gz BKMLTSCUMQSIFE-JOCHJYFZSA-N 1 1 400.538 4.620 50 0 HJAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1 ZINC000011775712 558274812 /nfs/dbraw/zinc/27/48/12/558274812.db2.gz PHFLZPRECGTISU-UHFFFAOYSA-N 1 1 413.949 4.742 50 0 HJAAMO CNC(=O)COc1ccc(-c2csc3ccccc32)cc1C[N@H+](C)Cc1ccoc1 ZINC000011787619 558276430 /nfs/dbraw/zinc/27/64/30/558276430.db2.gz BROSGDZAMGDTLD-UHFFFAOYSA-N 1 1 420.534 4.918 50 0 HJAAMO CNC(=O)COc1ccc(-c2csc3ccccc32)cc1C[N@@H+](C)Cc1ccoc1 ZINC000011787619 558276432 /nfs/dbraw/zinc/27/64/32/558276432.db2.gz BROSGDZAMGDTLD-UHFFFAOYSA-N 1 1 420.534 4.918 50 0 HJAAMO CCn1ccnc1C[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000011819686 558283037 /nfs/dbraw/zinc/28/30/37/558283037.db2.gz SVJAUXJLWUPUGT-UHFFFAOYSA-N 1 1 421.932 4.708 50 0 HJAAMO Cc1ccc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000012051715 558314296 /nfs/dbraw/zinc/31/42/96/558314296.db2.gz GTQXIOWLGLBUQL-OAQYLSRUSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1ccc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000012051715 558314298 /nfs/dbraw/zinc/31/42/98/558314298.db2.gz GTQXIOWLGLBUQL-OAQYLSRUSA-N 1 1 417.663 4.639 50 0 HJAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012072372 558317750 /nfs/dbraw/zinc/31/77/50/558317750.db2.gz BJXQXZJDXKIQDP-GOSISDBHSA-N 1 1 401.917 4.510 50 0 HJAAMO OC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000012072811 558317936 /nfs/dbraw/zinc/31/79/36/558317936.db2.gz JEEZISOEUTVTAG-FQEVSTJZSA-N 1 1 401.510 4.549 50 0 HJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cc(OC)c1O ZINC000012074526 558319176 /nfs/dbraw/zinc/31/91/76/558319176.db2.gz AWHPVVQJIDGCTK-IBGZPJMESA-N 1 1 411.542 4.802 50 0 HJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1 ZINC000012205875 558352848 /nfs/dbraw/zinc/35/28/48/558352848.db2.gz BIELJOYHLWUQPK-FQEVSTJZSA-N 1 1 405.567 4.904 50 0 HJAAMO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020426427 558362104 /nfs/dbraw/zinc/36/21/04/558362104.db2.gz KYMOTTJXKAHOBT-UHFFFAOYSA-N 1 1 409.533 4.644 50 0 HJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)Nc1ccccc1F ZINC000012298078 558368133 /nfs/dbraw/zinc/36/81/33/558368133.db2.gz LYUZXKUTGHZMPM-IBGZPJMESA-N 1 1 406.505 4.642 50 0 HJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000012442685 558412693 /nfs/dbraw/zinc/41/26/93/558412693.db2.gz VDOVRAAWZVZWPS-SFHVURJKSA-N 1 1 404.432 4.759 50 0 HJAAMO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1c[nH]c2ccccc12 ZINC000020827799 558417120 /nfs/dbraw/zinc/41/71/20/558417120.db2.gz DJJQUFPCSWIUTL-UHFFFAOYSA-N 1 1 407.517 4.738 50 0 HJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)o1 ZINC000012474371 558422595 /nfs/dbraw/zinc/42/25/95/558422595.db2.gz IOYWFVPZQXXAPP-KRWDZBQOSA-N 1 1 400.950 4.555 50 0 HJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CCCO)C2)c(F)c1 ZINC000012587935 558434818 /nfs/dbraw/zinc/43/48/18/558434818.db2.gz KSZRHIAACLNEGY-LJQANCHMSA-N 1 1 423.532 4.672 50 0 HJAAMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)c1 ZINC000012715744 558455039 /nfs/dbraw/zinc/45/50/39/558455039.db2.gz PDDOJPSJGBQSLW-FQEVSTJZSA-N 1 1 413.537 4.561 50 0 HJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)c(OC)c1 ZINC000012717779 558455722 /nfs/dbraw/zinc/45/57/22/558455722.db2.gz GCDYSGMDHJLZCW-OAQYLSRUSA-N 1 1 424.585 4.629 50 0 HJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012745817 558458110 /nfs/dbraw/zinc/45/81/10/558458110.db2.gz IIMAOFQFWGCFHR-HXUWFJFHSA-N 1 1 409.578 4.798 50 0 HJAAMO O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1F ZINC000022197552 558466065 /nfs/dbraw/zinc/46/60/65/558466065.db2.gz TZTIUVNQNHMVCA-UHFFFAOYSA-N 1 1 417.528 4.562 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 ZINC000022293789 558476765 /nfs/dbraw/zinc/47/67/65/558476765.db2.gz DQKQNFJFJHXCPR-BETUJISGSA-N 1 1 408.365 4.636 50 0 HJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 ZINC000022293789 558476769 /nfs/dbraw/zinc/47/67/69/558476769.db2.gz DQKQNFJFJHXCPR-BETUJISGSA-N 1 1 408.365 4.636 50 0 HJAAMO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983173 558494126 /nfs/dbraw/zinc/49/41/26/558494126.db2.gz HIZLLSAJLWWDHR-DEOSSOPVSA-N 1 1 420.484 4.662 50 0 HJAAMO CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983173 558494129 /nfs/dbraw/zinc/49/41/29/558494129.db2.gz HIZLLSAJLWWDHR-DEOSSOPVSA-N 1 1 420.484 4.662 50 0 HJAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000022933788 558525467 /nfs/dbraw/zinc/52/54/67/558525467.db2.gz NMTXWADDYUYVSC-OAQYLSRUSA-N 1 1 412.965 4.721 50 0 HJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000013636554 558554392 /nfs/dbraw/zinc/55/43/92/558554392.db2.gz CHPSTHGIFNZZRY-FQEVSTJZSA-N 1 1 414.569 4.529 50 0 HJAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004455344 558589902 /nfs/dbraw/zinc/58/99/02/558589902.db2.gz AMADQXBLYWTPAX-OAQYLSRUSA-N 1 1 406.954 4.964 50 0 HJAAMO C[C@H](c1ccco1)N(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccn1 ZINC000014093932 558619331 /nfs/dbraw/zinc/61/93/31/558619331.db2.gz OSLPUQRNXSUNEZ-HXUWFJFHSA-N 1 1 403.526 4.724 50 0 HJAAMO S=C(NCc1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025394022 558639970 /nfs/dbraw/zinc/63/99/70/558639970.db2.gz ZZWCBFIWQOTHCW-UHFFFAOYSA-N 1 1 407.608 4.530 50 0 HJAAMO O=C(Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)c1)C1CC1 ZINC000027217514 558671042 /nfs/dbraw/zinc/67/10/42/558671042.db2.gz ZUHLMIJJULHTRH-UHFFFAOYSA-N 1 1 421.928 4.952 50 0 HJAAMO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664521 558679678 /nfs/dbraw/zinc/67/96/78/558679678.db2.gz DQYDSSHBHBBDLH-NRFANRHFSA-N 1 1 400.950 4.679 50 0 HJAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000014956870 558682697 /nfs/dbraw/zinc/68/26/97/558682697.db2.gz GABHUSAVULWMDV-UHFFFAOYSA-N 1 1 413.945 4.931 50 0 HJAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 ZINC000014971616 558687619 /nfs/dbraw/zinc/68/76/19/558687619.db2.gz FVMRFVVMUJEFJC-QFIPXVFZSA-N 1 1 416.569 4.504 50 0 HJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000014985790 558692923 /nfs/dbraw/zinc/69/29/23/558692923.db2.gz IGMCZKVDMFRXFZ-HNNXBMFYSA-N 1 1 401.432 4.882 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155373 558711037 /nfs/dbraw/zinc/71/10/37/558711037.db2.gz KZLWSCOVSGZYME-KRWDZBQOSA-N 1 1 417.500 4.737 50 0 HJAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155373 558711040 /nfs/dbraw/zinc/71/10/40/558711040.db2.gz KZLWSCOVSGZYME-KRWDZBQOSA-N 1 1 417.500 4.737 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015300713 558731121 /nfs/dbraw/zinc/73/11/21/558731121.db2.gz JGJJYVOUVJCERA-DEOSSOPVSA-N 1 1 404.510 4.654 50 0 HJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015300713 558731122 /nfs/dbraw/zinc/73/11/22/558731122.db2.gz JGJJYVOUVJCERA-DEOSSOPVSA-N 1 1 404.510 4.654 50 0 HJAAMO CCOc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344147 558799160 /nfs/dbraw/zinc/79/91/60/558799160.db2.gz PYBDPORBKQZPMM-RUZDIDTESA-N 1 1 419.569 4.866 50 0 HJAAMO O=C(/C=C/c1ccccn1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000019228920 558853147 /nfs/dbraw/zinc/85/31/47/558853147.db2.gz TYSYVLZRLZYCPO-ZVQQDINOSA-N 1 1 418.585 4.563 50 0 HJAAMO COc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1 ZINC000055060826 558871257 /nfs/dbraw/zinc/87/12/57/558871257.db2.gz CLDAKRMNISHFHC-UHFFFAOYSA-N 1 1 423.601 4.756 50 0 HJAAMO CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057984510 558892245 /nfs/dbraw/zinc/89/22/45/558892245.db2.gz KHQBVADKQQLJIE-OAQYLSRUSA-N 1 1 423.557 4.755 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)C1CCCCC1 ZINC000035560088 558905007 /nfs/dbraw/zinc/90/50/07/558905007.db2.gz WFEWPMCLBXUAOF-UHFFFAOYSA-N 1 1 422.548 4.608 50 0 HJAAMO Cc1cc2cc(NC(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000058167105 558907369 /nfs/dbraw/zinc/90/73/69/558907369.db2.gz HLDSSORLVYAUIB-OAQYLSRUSA-N 1 1 401.432 4.869 50 0 HJAAMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000058196084 558910952 /nfs/dbraw/zinc/91/09/52/558910952.db2.gz RTVLUNYFZQBGNR-GOSISDBHSA-N 1 1 421.541 4.541 50 0 HJAAMO COC[C@H]1CC[N@@H+](Cc2cc3ccc(C)cc3nc2-c2ccc(OC)c(OC)c2)C1 ZINC000072409930 558977429 /nfs/dbraw/zinc/97/74/29/558977429.db2.gz GLAGFCKNJZSIDY-SFHVURJKSA-N 1 1 406.526 4.696 50 0 HJAAMO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068919 558977574 /nfs/dbraw/zinc/97/75/74/558977574.db2.gz WCZPSCBZRAXWNP-UHFFFAOYSA-N 1 1 415.990 4.946 50 0 HJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCc3n[nH]cc3C2)c(C)s1 ZINC000072431062 558979363 /nfs/dbraw/zinc/97/93/63/558979363.db2.gz KBBKCEOTIUVEQG-UHFFFAOYSA-N 1 1 407.518 4.638 50 0 HJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCc3n[nH]cc3C2)c(C)s1 ZINC000072431062 558979366 /nfs/dbraw/zinc/97/93/66/558979366.db2.gz KBBKCEOTIUVEQG-UHFFFAOYSA-N 1 1 407.518 4.638 50 0 HJAAMO C[C@]1(O)CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072472996 558983576 /nfs/dbraw/zinc/98/35/76/558983576.db2.gz SAKQJPNBTVQBSJ-QHCPKHFHSA-N 1 1 410.901 4.631 50 0 HJAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000076894725 558998043 /nfs/dbraw/zinc/99/80/43/558998043.db2.gz GMVYXGUAJOYXGD-IBGZPJMESA-N 1 1 400.482 4.674 50 0 HJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000004776231 559059572 /nfs/dbraw/zinc/05/95/72/559059572.db2.gz HAZRINAWSLTYFD-VJBMBRPKSA-N 1 1 401.934 4.923 50 0 HJAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000096140179 559095557 /nfs/dbraw/zinc/09/55/57/559095557.db2.gz SUNPLEBVDOVAFZ-GOSISDBHSA-N 1 1 400.925 4.821 50 0 HJAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000096140180 559095608 /nfs/dbraw/zinc/09/56/08/559095608.db2.gz SUNPLEBVDOVAFZ-SFHVURJKSA-N 1 1 400.925 4.821 50 0 HJAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)C1CCCCC1 ZINC000005144772 559252366 /nfs/dbraw/zinc/25/23/66/559252366.db2.gz GEPASBNZRZEPFL-UHFFFAOYSA-N 1 1 414.619 4.671 50 0 HJAAMO CCn1nc(C)c(C[N@@H+]2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998026 559270087 /nfs/dbraw/zinc/27/00/87/559270087.db2.gz GKKWJGDZVVFWPS-RUZDIDTESA-N 1 1 419.569 4.581 50 0 HJAAMO CCn1nc(C)c(C[N@H+]2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998026 559270088 /nfs/dbraw/zinc/27/00/88/559270088.db2.gz GKKWJGDZVVFWPS-RUZDIDTESA-N 1 1 419.569 4.581 50 0 HJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000005342310 560567835 /nfs/dbraw/zinc/56/78/35/560567835.db2.gz YQITXDDUZAGSSZ-TZYHBYERSA-N 1 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMO COc1ccccc1C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000013720620 560827413 /nfs/dbraw/zinc/82/74/13/560827413.db2.gz GXOHCHQVQAAPSX-UHFFFAOYSA-N 1 1 415.125 4.519 50 0 HJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 ZINC000046809239 560878286 /nfs/dbraw/zinc/87/82/86/560878286.db2.gz QPMBUEMXOFIKNL-HNNXBMFYSA-N 1 1 419.338 4.893 50 0 HJAAMO Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@H]2C)c1 ZINC000106588619 560892615 /nfs/dbraw/zinc/89/26/15/560892615.db2.gz SAOYGWVUOAMNQH-IHMLTUKFSA-N 1 1 422.613 4.820 50 0 biogenic HJAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)[C@@H]2CCc3ccccc32)cc1 ZINC000048311526 568436946 /nfs/dbraw/zinc/43/69/46/568436946.db2.gz UKKLNCCHCNVFKU-JOCHJYFZSA-N 1 1 401.535 4.754 50 0 HJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300403 568464503 /nfs/dbraw/zinc/46/45/03/568464503.db2.gz WOBCKBPSHZXGRK-KRWDZBQOSA-N 1 1 418.472 4.813 50 0 HJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300403 568464505 /nfs/dbraw/zinc/46/45/05/568464505.db2.gz WOBCKBPSHZXGRK-KRWDZBQOSA-N 1 1 418.472 4.813 50 0 HJAAMO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021017071 568657636 /nfs/dbraw/zinc/65/76/36/568657636.db2.gz OZGVFYKDFBALCD-UHFFFAOYSA-N 1 1 422.532 4.624 50 0 HJAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000095987408 568676810 /nfs/dbraw/zinc/67/68/10/568676810.db2.gz CBCAQTUVAPGZBX-IBGZPJMESA-N 1 1 416.525 4.581 50 0 HJAAMO COc1cccc([C@H]2C[N@@H+](CC3CC3)C[C@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000096281456 568718672 /nfs/dbraw/zinc/71/86/72/568718672.db2.gz MBKSUAPLULOHLJ-AZGAKELHSA-N 1 1 420.597 4.919 50 0 HJAAMO Cc1nc([C@H](C)[N@H+]2CCC[C@@](O)(c3ccccc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000241383464 568731252 /nfs/dbraw/zinc/73/12/52/568731252.db2.gz MVMCQKXKAMRFEU-UUOWRZLLSA-N 1 1 410.945 5.738 50 0 HJAAMO CC[N@@H+](CCCNc1ncnc2onc(-c3ccccc3C)c21)Cc1ccccc1 ZINC000021714646 568748838 /nfs/dbraw/zinc/74/88/38/568748838.db2.gz ZEVMAEFSCOQFEI-UHFFFAOYSA-N 1 1 401.514 4.917 50 0 HJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000021794089 568753434 /nfs/dbraw/zinc/75/34/34/568753434.db2.gz CLKSQSPTOKEQOS-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021794089 568753435 /nfs/dbraw/zinc/75/34/35/568753435.db2.gz CLKSQSPTOKEQOS-UHFFFAOYSA-N 1 1 415.419 4.866 50 0 HJAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000000955176 568757399 /nfs/dbraw/zinc/75/73/99/568757399.db2.gz DGCAKCVKXJXDSD-UHFFFAOYSA-N 1 1 400.544 4.795 50 0 HJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Nc2ccc(C)c(C)c2)nc2ccccc21 ZINC000003056232 568851820 /nfs/dbraw/zinc/85/18/20/568851820.db2.gz LXGSMSHFJDBYMD-HXUWFJFHSA-N 1 1 402.542 4.809 50 0 HJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2cc1C ZINC000057688791 568858448 /nfs/dbraw/zinc/85/84/48/568858448.db2.gz DZCYMGSTIGCNEJ-NRFANRHFSA-N 1 1 405.494 4.908 50 0 HJAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000012763126 568946687 /nfs/dbraw/zinc/94/66/87/568946687.db2.gz LSQQMOIQTIUANO-UHFFFAOYSA-N 1 1 408.329 4.509 50 0 HJAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000012763126 568946685 /nfs/dbraw/zinc/94/66/85/568946685.db2.gz LSQQMOIQTIUANO-UHFFFAOYSA-N 1 1 408.329 4.509 50 0 HJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000015669164 568960743 /nfs/dbraw/zinc/96/07/43/568960743.db2.gz SVYFWYIXMSEEIL-UHFFFAOYSA-N 1 1 417.513 4.651 50 0 HJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005043940 568969304 /nfs/dbraw/zinc/96/93/04/568969304.db2.gz MFMHHJWWDUFITB-HRAATJIYSA-N 1 1 413.537 4.696 50 0 HJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H](C)COC)cc1 ZINC000001447756 568985610 /nfs/dbraw/zinc/98/56/10/568985610.db2.gz HJCSKPBOUVUPRL-KRWDZBQOSA-N 1 1 402.498 4.933 50 0 HJAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(C)cc2)n(-c2ccccc2)n1 ZINC000012816321 568989972 /nfs/dbraw/zinc/98/99/72/568989972.db2.gz UWPKPSZNCAVZBI-XMMPIXPASA-N 1 1 416.550 4.868 50 0 HJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000015860942 569015377 /nfs/dbraw/zinc/01/53/77/569015377.db2.gz XSQWODSRBPZPBB-KRWDZBQOSA-N 1 1 401.963 4.624 50 0 HJAAMO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012891295 569020075 /nfs/dbraw/zinc/02/00/75/569020075.db2.gz UDOJVDYYJWRAHT-ZWKOTPCHSA-N 1 1 402.494 4.604 50 0 HJAAMO CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cs1)c1cccc(Cl)c1 ZINC000241965785 569054925 /nfs/dbraw/zinc/05/49/25/569054925.db2.gz UVPMWWOTYHEZMV-WOJBJXKFSA-N 1 1 418.994 4.540 50 0 HJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000064590917 569069266 /nfs/dbraw/zinc/06/92/66/569069266.db2.gz NKEHJGMQCYWOSL-UHFFFAOYSA-N 1 1 403.913 4.859 50 0 HJAAMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1cc[nH+]c(C)c1C ZINC000089556253 569070144 /nfs/dbraw/zinc/07/01/44/569070144.db2.gz SYBCHSCKANXEMG-UHFFFAOYSA-N 1 1 402.420 4.701 50 0 HJAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031554 569081029 /nfs/dbraw/zinc/08/10/29/569081029.db2.gz UBMLSQFPWUPDAF-QFIPXVFZSA-N 1 1 411.929 4.791 50 0 HJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036102382 569091803 /nfs/dbraw/zinc/09/18/03/569091803.db2.gz IEWPJRSVJQLFQP-QHCPKHFHSA-N 1 1 409.501 4.585 50 0 HJAAMO CC[N@@H+](C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21)C[C@](C)(O)c1ccccc1 ZINC000006780222 569119549 /nfs/dbraw/zinc/11/95/49/569119549.db2.gz JTMYRQKZNPTWKI-DTIZUBSJSA-N 1 1 411.586 4.674 50 0 HJAAMO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306880 569129420 /nfs/dbraw/zinc/12/94/20/569129420.db2.gz ODKPYTXAVZHQQN-KRWDZBQOSA-N 1 1 409.505 4.611 50 0 HJAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036305965 569129587 /nfs/dbraw/zinc/12/95/87/569129587.db2.gz CDBURJBJOGINTC-IBGZPJMESA-N 1 1 423.557 4.727 50 0 HJAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036305963 569129653 /nfs/dbraw/zinc/12/96/53/569129653.db2.gz CDBURJBJOGINTC-LJQANCHMSA-N 1 1 423.557 4.727 50 0 HJAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341042 569141841 /nfs/dbraw/zinc/14/18/41/569141841.db2.gz CTCIDEJLPOQEFG-QFIPXVFZSA-N 1 1 411.933 4.512 50 0 HJAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000036345296 569143242 /nfs/dbraw/zinc/14/32/42/569143242.db2.gz QLWRKVDPCADEJM-XMMPIXPASA-N 1 1 419.569 4.946 50 0 HJAAMO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000036345687 569143405 /nfs/dbraw/zinc/14/34/05/569143405.db2.gz PNJWCAYMOOHPGG-CPJSRVTESA-N 1 1 419.569 4.864 50 0 HJAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000036347739 569144246 /nfs/dbraw/zinc/14/42/46/569144246.db2.gz FVOJMMOJEVYFRT-RUZDIDTESA-N 1 1 406.526 4.899 50 0 HJAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000036347739 569144248 /nfs/dbraw/zinc/14/42/48/569144248.db2.gz FVOJMMOJEVYFRT-RUZDIDTESA-N 1 1 406.526 4.899 50 0 HJAAMO CC(C)[N@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169777104 569173004 /nfs/dbraw/zinc/17/30/04/569173004.db2.gz DWNGWHSNCSCYDA-UHFFFAOYSA-N 1 1 424.508 4.857 50 0 HJAAMO CC(C)[N@@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169777104 569173005 /nfs/dbraw/zinc/17/30/05/569173005.db2.gz DWNGWHSNCSCYDA-UHFFFAOYSA-N 1 1 424.508 4.857 50 0 HJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000065257921 569209807 /nfs/dbraw/zinc/20/98/07/569209807.db2.gz YOYODSHWRQHMTK-UHFFFAOYSA-N 1 1 411.937 4.621 50 0 HJAAMO CCC(CC)C(=O)Nc1ccc(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000524731782 569212416 /nfs/dbraw/zinc/21/24/16/569212416.db2.gz KLHZOSIDWUWTNQ-HXUWFJFHSA-N 1 1 424.541 4.570 50 0 biogenic HJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000065322227 569224391 /nfs/dbraw/zinc/22/43/91/569224391.db2.gz KNNBIDICFVYXQC-UHFFFAOYSA-N 1 1 420.557 4.758 50 0 HJAAMO Cc1ccc(C(=O)CCN2[C@H](C)C[N@@H+](CCC(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000170618469 569247997 /nfs/dbraw/zinc/24/79/97/569247997.db2.gz YGUHZZJJIOMHCY-SZPZYZBQSA-N 1 1 406.570 4.544 50 0 HJAAMO Cc1ccc(C(=O)CCN2[C@H](C)C[N@H+](CCC(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000170618469 569247999 /nfs/dbraw/zinc/24/79/99/569247999.db2.gz YGUHZZJJIOMHCY-SZPZYZBQSA-N 1 1 406.570 4.544 50 0 HJAAMO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007855502 569314688 /nfs/dbraw/zinc/31/46/88/569314688.db2.gz KSVORZWBBDBETD-OAQYLSRUSA-N 1 1 411.933 4.734 50 0 HJAAMO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007855502 569314689 /nfs/dbraw/zinc/31/46/89/569314689.db2.gz KSVORZWBBDBETD-OAQYLSRUSA-N 1 1 411.933 4.734 50 0 HJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC)c(C)c1OC)[NH2+]C2 ZINC000055028113 569375734 /nfs/dbraw/zinc/37/57/34/569375734.db2.gz ZZIFCXXKAJOHTN-DEOSSOPVSA-N 1 1 422.525 4.793 50 0 HJAAMO O[C@@H](CNCC1([NH+]2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl ZINC000039782122 571134251 /nfs/dbraw/zinc/13/42/51/571134251.db2.gz OASGMNNTOQISCE-SFHVURJKSA-N 1 1 415.405 4.512 50 0 HJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@H](C)C(C)C)cc1 ZINC000245330437 571225552 /nfs/dbraw/zinc/22/55/52/571225552.db2.gz YPFOFADEDULNQX-ZWKOTPCHSA-N 1 1 401.551 4.648 50 0 HJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@H](C)C(C)C)cc1 ZINC000245330437 571225554 /nfs/dbraw/zinc/22/55/54/571225554.db2.gz YPFOFADEDULNQX-ZWKOTPCHSA-N 1 1 401.551 4.648 50 0 HJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(C)ccc2C)C1 ZINC000009151103 571230262 /nfs/dbraw/zinc/23/02/62/571230262.db2.gz BNYKMQUSDACEKZ-UHFFFAOYSA-N 1 1 408.571 4.855 50 0 HJAAMO