smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000095427031 185361904 /nfs/dbraw/zinc/36/19/04/185361904.db2.gz PLNSNPQJCHXZRR-IRXDYDNUSA-N 1 3 320.458 2.656 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000253370586 186301404 /nfs/dbraw/zinc/30/14/04/186301404.db2.gz STQRGHGRXRYHLJ-PMACEKPBSA-N 1 3 315.505 2.940 50 0 DFAAHO OC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccsc1)CC2 ZINC000169782622 399001801 /nfs/dbraw/zinc/00/18/01/399001801.db2.gz GHVMJSGULKTYJE-MRXNPFEDSA-N 1 3 320.502 2.807 50 0 DFAAHO OC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccsc1)CC2 ZINC000169782622 399001806 /nfs/dbraw/zinc/00/18/06/399001806.db2.gz GHVMJSGULKTYJE-MRXNPFEDSA-N 1 3 320.502 2.807 50 0 DFAAHO CC[NH+]1CCC(NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000022935295 182341904 /nfs/dbraw/zinc/34/19/04/182341904.db2.gz MBTYWVBAWTXARV-INIZCTEOSA-N 1 3 307.507 2.959 50 0 DFAAHO CCN1CCC([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000022935295 182341907 /nfs/dbraw/zinc/34/19/07/182341907.db2.gz MBTYWVBAWTXARV-INIZCTEOSA-N 1 3 307.507 2.959 50 0 DFAAHO COC(=O)c1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000374327642 150344770 /nfs/dbraw/zinc/34/47/70/150344770.db2.gz WTALCVNOPSAIST-UHFFFAOYSA-N 1 3 302.418 2.533 50 0 DFAAHO COC(=O)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374327642 150344774 /nfs/dbraw/zinc/34/47/74/150344774.db2.gz WTALCVNOPSAIST-UHFFFAOYSA-N 1 3 302.418 2.533 50 0 DFAAHO COC(=O)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374327642 150344780 /nfs/dbraw/zinc/34/47/80/150344780.db2.gz WTALCVNOPSAIST-UHFFFAOYSA-N 1 3 302.418 2.533 50 0 DFAAHO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000067966390 425915407 /nfs/dbraw/zinc/91/54/07/425915407.db2.gz DNKMXLACGMUUEC-QGZVFWFLSA-N 1 3 300.446 2.652 50 0 DFAAHO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000067966390 425915408 /nfs/dbraw/zinc/91/54/08/425915408.db2.gz DNKMXLACGMUUEC-QGZVFWFLSA-N 1 3 300.446 2.652 50 0 DFAAHO CCCc1cn(C2CCN(C3CC[NH+](CCC)CC3)CC2)nn1 ZINC000048175551 425873438 /nfs/dbraw/zinc/87/34/38/425873438.db2.gz FJSDYJBCJZFQJV-UHFFFAOYSA-N 1 3 319.497 2.742 50 0 DFAAHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)s2)CC1 ZINC000069658898 425951437 /nfs/dbraw/zinc/95/14/37/425951437.db2.gz MWZDUOIQGMEPFU-GFCCVEGCSA-N 1 3 316.898 2.926 50 0 DFAAHO CC[N@H+](C)C1(CNC(=O)Nc2cccc(CN)c2)CCCCC1 ZINC000097137272 426452701 /nfs/dbraw/zinc/45/27/01/426452701.db2.gz FBIYQGXVFJDVNE-UHFFFAOYSA-N 1 3 318.465 2.921 50 0 DFAAHO CC[N@@H+](C)C1(CNC(=O)Nc2cccc(CN)c2)CCCCC1 ZINC000097137272 426452704 /nfs/dbraw/zinc/45/27/04/426452704.db2.gz FBIYQGXVFJDVNE-UHFFFAOYSA-N 1 3 318.465 2.921 50 0 DFAAHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160168 426454697 /nfs/dbraw/zinc/45/46/97/426454697.db2.gz VEVXPYYBQYABPY-CYBMUJFWSA-N 1 3 304.463 2.960 50 0 DFAAHO CNc1cc([C@H]2C[C@@H](NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)ncn1 ZINC000244773789 426727536 /nfs/dbraw/zinc/72/75/36/426727536.db2.gz PGOOYQFZRXLEFF-BETUJISGSA-N 1 3 317.481 2.663 50 0 DFAAHO CNc1cc([C@H]2C[C@@H]([NH2+]C3CC(C)(C)NC(C)(C)C3)C2)ncn1 ZINC000244773789 426727538 /nfs/dbraw/zinc/72/75/38/426727538.db2.gz PGOOYQFZRXLEFF-BETUJISGSA-N 1 3 317.481 2.663 50 0 DFAAHO CCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182518904 427094280 /nfs/dbraw/zinc/09/42/80/427094280.db2.gz XOCVICUQYYPUGB-RDJZCZTQSA-N 1 3 309.498 2.617 50 0 DFAAHO CCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182518904 427094286 /nfs/dbraw/zinc/09/42/86/427094286.db2.gz XOCVICUQYYPUGB-RDJZCZTQSA-N 1 3 309.498 2.617 50 0 DFAAHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419818 332169705 /nfs/dbraw/zinc/16/97/05/332169705.db2.gz PCSSIBZRKBXHJJ-AEFFLSMTSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCn3cccn3)CC2)C1 ZINC000095419818 332169707 /nfs/dbraw/zinc/16/97/07/332169707.db2.gz PCSSIBZRKBXHJJ-AEFFLSMTSA-N 1 3 304.482 2.906 50 0 DFAAHO COC[C@H]1C[N@H+](C)CC12CCN(Cc1sccc1C)CC2 ZINC000169789837 399000787 /nfs/dbraw/zinc/00/07/87/399000787.db2.gz VOFNDFIPYDRLBS-OAHLLOKOSA-N 1 3 308.491 2.847 50 0 DFAAHO COC[C@H]1C[N@@H+](C)CC12CCN(Cc1sccc1C)CC2 ZINC000169789837 399000792 /nfs/dbraw/zinc/00/07/92/399000792.db2.gz VOFNDFIPYDRLBS-OAHLLOKOSA-N 1 3 308.491 2.847 50 0 DFAAHO COCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091794172 193109128 /nfs/dbraw/zinc/10/91/28/193109128.db2.gz YRALBPLQINBZNW-SFHVURJKSA-N 1 3 302.462 2.834 50 0 DFAAHO COCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091794172 193109130 /nfs/dbraw/zinc/10/91/30/193109130.db2.gz YRALBPLQINBZNW-SFHVURJKSA-N 1 3 302.462 2.834 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746532 542550614 /nfs/dbraw/zinc/55/06/14/542550614.db2.gz LCBRGSCNJOIDEV-LMMKCTJWSA-N 1 3 307.526 2.818 50 0 DFAAHO Cc1ccsc1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220340246 542880745 /nfs/dbraw/zinc/88/07/45/542880745.db2.gz BKJIVHHQTTWQMX-UHFFFAOYSA-N 1 3 308.491 2.727 50 0 DFAAHO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000065398118 425902574 /nfs/dbraw/zinc/90/25/74/425902574.db2.gz IYVQJGOVIPXKIO-UHFFFAOYSA-N 1 3 311.429 2.844 50 0 DFAAHO C/C(=C\c1ccco1)CN1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067805668 425913287 /nfs/dbraw/zinc/91/32/87/425913287.db2.gz FZBPHZSQAQNBRH-SAPNQHFASA-N 1 3 317.477 2.785 50 0 DFAAHO C[C@H](O)C[NH+]1CCC(CNCc2cc3ccccc3o2)CC1 ZINC000069349820 425935899 /nfs/dbraw/zinc/93/58/99/425935899.db2.gz USJAAJPEMBGKHB-AWEZNQCLSA-N 1 3 302.418 2.615 50 0 DFAAHO CCN1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745049 425877151 /nfs/dbraw/zinc/87/71/51/425877151.db2.gz MWBPIGPQPMLRDN-CQSZACIVSA-N 1 3 314.433 2.517 50 0 DFAAHO Cc1ccc([O-])c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000096456858 426430990 /nfs/dbraw/zinc/43/09/90/426430990.db2.gz IUEKIIAGDXNMGS-UHFFFAOYSA-N 1 3 303.450 2.982 50 0 DFAAHO c1cnn(Cc2ccccc2C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000095419581 185359816 /nfs/dbraw/zinc/35/98/16/185359816.db2.gz DJWKQPBVIHWUGQ-UHFFFAOYSA-N 1 3 324.472 2.895 50 0 DFAAHO Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000065202201 184314453 /nfs/dbraw/zinc/31/44/53/184314453.db2.gz OJTADSOESYWMFG-INIZCTEOSA-N 1 3 311.433 2.691 50 0 DFAAHO Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000065202201 184314454 /nfs/dbraw/zinc/31/44/54/184314454.db2.gz OJTADSOESYWMFG-INIZCTEOSA-N 1 3 311.433 2.691 50 0 DFAAHO CCCc1cn(C2CCN(C[C@@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055168559 425892285 /nfs/dbraw/zinc/89/22/85/425892285.db2.gz XJCQMNHVHYPWTK-MRXNPFEDSA-N 1 3 319.497 2.599 50 0 DFAAHO CCCc1cn(C2CCN(C[C@@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055168559 425892286 /nfs/dbraw/zinc/89/22/86/425892286.db2.gz XJCQMNHVHYPWTK-MRXNPFEDSA-N 1 3 319.497 2.599 50 0 DFAAHO C[C@@H](O)C[NH+]1CCC(CNCc2cc3ccccc3o2)CC1 ZINC000069349821 425935336 /nfs/dbraw/zinc/93/53/36/425935336.db2.gz USJAAJPEMBGKHB-CQSZACIVSA-N 1 3 302.418 2.615 50 0 DFAAHO CCN1CC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000124177566 426473493 /nfs/dbraw/zinc/47/34/93/426473493.db2.gz YMDGUXUPAUXURQ-LJQANCHMSA-N 1 3 315.505 2.625 50 0 DFAAHO CC(C)(C)OC(=O)C1(C[NH3+])CCN(Cc2ccccc2)CC1 ZINC000725244825 546412782 /nfs/dbraw/zinc/41/27/82/546412782.db2.gz MPKQMDOBOPPANI-UHFFFAOYSA-N 1 3 304.434 2.569 50 0 DFAAHO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ccncc2)C1 ZINC000095391667 185351766 /nfs/dbraw/zinc/35/17/66/185351766.db2.gz CORKSQAHJALGIA-INIZCTEOSA-N 1 3 313.449 2.614 50 0 DFAAHO Cc1nccn1C[C@H](C)[NH2+]CCCc1nc2ccc(F)cc2[nH]1 ZINC000584902244 398430844 /nfs/dbraw/zinc/43/08/44/398430844.db2.gz LAUYJROUAURUKV-LBPRGKRZSA-N 1 3 315.396 2.818 50 0 DFAAHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCOC1 ZINC000284423300 218020807 /nfs/dbraw/zinc/02/08/07/218020807.db2.gz RJZIMPGSKZOVTP-NVXWUHKLSA-N 1 3 318.461 2.674 50 0 DFAAHO CCC[NH+]1CCC(N2CCC[C@@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065782 542424422 /nfs/dbraw/zinc/42/44/22/542424422.db2.gz KFDNRNMLDUBAFY-INIZCTEOSA-N 1 3 321.509 2.632 50 0 DFAAHO CCC[NH+]1CCC(N2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065783 542424761 /nfs/dbraw/zinc/42/47/61/542424761.db2.gz KFDNRNMLDUBAFY-MRXNPFEDSA-N 1 3 321.509 2.632 50 0 DFAAHO CN(C)Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000253629951 257257859 /nfs/dbraw/zinc/25/78/59/257257859.db2.gz FZEAMWRSKSGLEX-RCCFBDPRSA-N 1 3 300.446 2.795 50 0 DFAAHO Cc1c[nH+]ccc1N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670440467 544040377 /nfs/dbraw/zinc/04/03/77/544040377.db2.gz XWJDTUIHDDQECM-LJQANCHMSA-N 1 3 322.456 2.791 50 0 DFAAHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375351 426288257 /nfs/dbraw/zinc/28/82/57/426288257.db2.gz JWMWQGYAQKJOQN-GOSISDBHSA-N 1 3 321.509 2.632 50 0 DFAAHO C[NH2+]CC1CCN(Cc2ccc(OC)cc2OC(C)C)CC1 ZINC000097162639 426456118 /nfs/dbraw/zinc/45/61/18/426456118.db2.gz NIZBIGQGJMDUFZ-UHFFFAOYSA-N 1 3 306.450 2.914 50 0 DFAAHO C[NH2+]CCC1CCN(Cc2ccc(OCCOC)cc2)CC1 ZINC000097162674 426456329 /nfs/dbraw/zinc/45/63/29/426456329.db2.gz QKRKCYZKKGEMNO-UHFFFAOYSA-N 1 3 306.450 2.533 50 0 DFAAHO C1CCC(N2CCC([NH2+]C3CSCCSC3)CC2)C1 ZINC000534591366 334294338 /nfs/dbraw/zinc/29/43/38/334294338.db2.gz VTJXPYQNAGYSAJ-UHFFFAOYSA-N 1 3 300.537 2.832 50 0 DFAAHO CN(C)CCC[NH+](CCCc1ccccc1)CCCN(C)C ZINC000003680983 398348702 /nfs/dbraw/zinc/34/87/02/398348702.db2.gz SBVBKVVEKOURBW-UHFFFAOYSA-N 1 3 305.510 2.825 50 0 DFAAHO C[C@@H](Cc1ccccc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188037743 186247116 /nfs/dbraw/zinc/24/71/16/186247116.db2.gz ULQKLXBNQFWOSW-JKSUJKDBSA-N 1 3 320.452 2.847 50 0 DFAAHO OC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccsc1)CC2 ZINC000169782621 399001837 /nfs/dbraw/zinc/00/18/37/399001837.db2.gz GHVMJSGULKTYJE-INIZCTEOSA-N 1 3 320.502 2.807 50 0 DFAAHO OC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccsc1)CC2 ZINC000169782621 399001839 /nfs/dbraw/zinc/00/18/39/399001839.db2.gz GHVMJSGULKTYJE-INIZCTEOSA-N 1 3 320.502 2.807 50 0 DFAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262676374 203377577 /nfs/dbraw/zinc/37/75/77/203377577.db2.gz SAQLQJUSLYCNRT-CIRFHOKZSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262676374 203377580 /nfs/dbraw/zinc/37/75/80/203377580.db2.gz SAQLQJUSLYCNRT-CIRFHOKZSA-N 1 3 317.477 2.511 50 0 DFAAHO CCN(CC)CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000019635841 182134123 /nfs/dbraw/zinc/13/41/23/182134123.db2.gz MINSWOXZKJMWJI-UHFFFAOYSA-N 1 3 303.494 2.625 50 0 DFAAHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000284423304 218021482 /nfs/dbraw/zinc/02/14/82/218021482.db2.gz RJZIMPGSKZOVTP-RDJZCZTQSA-N 1 3 318.461 2.674 50 0 DFAAHO CC(C)[NH+]1CCC(NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000065466857 184349926 /nfs/dbraw/zinc/34/99/26/184349926.db2.gz BUUORODEVKJPQX-UHFFFAOYSA-N 1 3 312.461 2.877 50 0 DFAAHO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)CN(C)CCN3C)o1 ZINC000067603936 425911817 /nfs/dbraw/zinc/91/18/17/425911817.db2.gz ZWNAQRVNRIVFCL-MRXNPFEDSA-N 1 3 319.493 2.793 50 0 DFAAHO CN1CCCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000011813728 425714459 /nfs/dbraw/zinc/71/44/59/425714459.db2.gz AXYDLHUSDKDTQX-KRWDZBQOSA-N 1 3 314.477 2.669 50 0 DFAAHO CC(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000097159587 426454959 /nfs/dbraw/zinc/45/49/59/426454959.db2.gz MIOVMYHQRAOVEW-UHFFFAOYSA-N 1 3 313.449 2.682 50 0 DFAAHO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000230099130 426643636 /nfs/dbraw/zinc/64/36/36/426643636.db2.gz NOBONNGYUUDDDU-UJMXGEILSA-N 1 3 314.473 2.648 50 0 DFAAHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000240551527 426715840 /nfs/dbraw/zinc/71/58/40/426715840.db2.gz GUKIXORTYCIUMN-MJGOQNOKSA-N 1 3 301.478 2.582 50 0 DFAAHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245339159 426732204 /nfs/dbraw/zinc/73/22/04/426732204.db2.gz QYQJTWSPPULTRS-RHSMWYFYSA-N 1 3 323.506 2.589 50 0 DFAAHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245339159 426732205 /nfs/dbraw/zinc/73/22/05/426732205.db2.gz QYQJTWSPPULTRS-RHSMWYFYSA-N 1 3 323.506 2.589 50 0 DFAAHO CCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246045215 426793276 /nfs/dbraw/zinc/79/32/76/426793276.db2.gz XOCVICUQYYPUGB-NVXWUHKLSA-N 1 3 309.498 2.617 50 0 DFAAHO CCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246045215 426793280 /nfs/dbraw/zinc/79/32/80/426793280.db2.gz XOCVICUQYYPUGB-NVXWUHKLSA-N 1 3 309.498 2.617 50 0 DFAAHO CCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182518919 427092741 /nfs/dbraw/zinc/09/27/41/427092741.db2.gz XOCVICUQYYPUGB-DOTOQJQBSA-N 1 3 309.498 2.617 50 0 DFAAHO CCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182518919 427092750 /nfs/dbraw/zinc/09/27/50/427092750.db2.gz XOCVICUQYYPUGB-DOTOQJQBSA-N 1 3 309.498 2.617 50 0 DFAAHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@H]2CCCN(C)C2)CC1 ZINC000252536925 427188751 /nfs/dbraw/zinc/18/87/51/427188751.db2.gz JUOPBAQLZQBKFK-GBESFXJTSA-N 1 3 305.510 2.691 50 0 DFAAHO CN1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257185138 427306474 /nfs/dbraw/zinc/30/64/74/427306474.db2.gz JFYWBMYFQKXGFA-UHFFFAOYSA-N 1 3 316.445 2.524 50 0 DFAAHO CN1CCC2(CC1)C[N@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257185138 427306484 /nfs/dbraw/zinc/30/64/84/427306484.db2.gz JFYWBMYFQKXGFA-UHFFFAOYSA-N 1 3 316.445 2.524 50 0 DFAAHO CN(C)Cc1ccc([C@H]2CC[C@@H](c3ccc(CN(C)C)[nH]3)[NH2+]2)[nH]1 ZINC000006378959 289224793 /nfs/dbraw/zinc/22/47/93/289224793.db2.gz SFXBYWGDODJASS-HDICACEKSA-N 1 3 315.465 2.632 50 0 DFAAHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419079 185359942 /nfs/dbraw/zinc/35/99/42/185359942.db2.gz UCXAVMJGMOOOLO-FUHWJXTLSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCn3ccnc3)CC2)C1 ZINC000095419079 185359943 /nfs/dbraw/zinc/35/99/43/185359943.db2.gz UCXAVMJGMOOOLO-FUHWJXTLSA-N 1 3 304.482 2.906 50 0 DFAAHO CN(CCN1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000584896362 398428867 /nfs/dbraw/zinc/42/88/67/398428867.db2.gz HEYMTMOMXVRUQE-ZWKOTPCHSA-N 1 3 321.509 2.585 50 0 DFAAHO CN(CCN1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000584896362 398428873 /nfs/dbraw/zinc/42/88/73/398428873.db2.gz HEYMTMOMXVRUQE-ZWKOTPCHSA-N 1 3 321.509 2.585 50 0 DFAAHO Cc1cc(C)c2[nH]c(CNCC[C@@H]3CCC[N@H+]3C)cc(=O)c2c1 ZINC000091782484 193106983 /nfs/dbraw/zinc/10/69/83/193106983.db2.gz KKLCHODRTNBCIQ-INIZCTEOSA-N 1 3 313.445 2.719 50 0 DFAAHO Cc1cc(C)c2[nH]c(CNCC[C@@H]3CCC[N@@H+]3C)cc(=O)c2c1 ZINC000091782484 193106985 /nfs/dbraw/zinc/10/69/85/193106985.db2.gz KKLCHODRTNBCIQ-INIZCTEOSA-N 1 3 313.445 2.719 50 0 DFAAHO Cc1ccc(C[NH+]2CCC(CNc3cc(C)nc(N)n3)CC2)o1 ZINC000091964645 193133951 /nfs/dbraw/zinc/13/39/51/193133951.db2.gz TVMORGKMMOMXKU-UHFFFAOYSA-N 1 3 315.421 2.593 50 0 DFAAHO [NH3+]CCNCCCOc1ccc(OCc2ccccc2)cc1 ZINC000020118544 182189034 /nfs/dbraw/zinc/18/90/34/182189034.db2.gz PNYSKBWMUQENJW-UHFFFAOYSA-N 1 3 300.402 2.583 50 0 DFAAHO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000042229201 183244321 /nfs/dbraw/zinc/24/43/21/183244321.db2.gz BONKLBYUGNBZOC-CYBMUJFWSA-N 1 3 314.408 2.790 50 0 DFAAHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OC(F)F ZINC000060816771 184156413 /nfs/dbraw/zinc/15/64/13/184156413.db2.gz XUFQJWVROGGISO-UHFFFAOYSA-N 1 3 316.392 2.974 50 0 DFAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1cc(CN3CCCCC3)cs1)C2 ZINC000426712578 257243704 /nfs/dbraw/zinc/24/37/04/257243704.db2.gz FJFFXQYPVAUDMP-VQFNDLOPSA-N 1 3 319.518 2.903 50 0 DFAAHO Cc1nn(C[C@H](C)NCc2ccc(C[NH3+])cc2)c(C)c1Cl ZINC000426389971 257252695 /nfs/dbraw/zinc/25/26/95/257252695.db2.gz VXALYVAJUYAVMT-NSHDSACASA-N 1 3 306.841 2.790 50 0 DFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715237 425734980 /nfs/dbraw/zinc/73/49/80/425734980.db2.gz IJNUGXOECPBXHV-INIZCTEOSA-N 1 3 321.509 2.630 50 0 DFAAHO O[C@@]1(CN2CCCCC2)CC[N@H+](CCCc2ccccc2)C1 ZINC000077392555 426132391 /nfs/dbraw/zinc/13/23/91/426132391.db2.gz UMVOMNBAIUVZSY-LJQANCHMSA-N 1 3 302.462 2.542 50 0 DFAAHO O[C@@]1(CN2CCCCC2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000077392555 426132393 /nfs/dbraw/zinc/13/23/93/426132393.db2.gz UMVOMNBAIUVZSY-LJQANCHMSA-N 1 3 302.462 2.542 50 0 DFAAHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000097229000 426460293 /nfs/dbraw/zinc/46/02/93/426460293.db2.gz GUKIXORTYCIUMN-IEBWSBKVSA-N 1 3 301.478 2.582 50 0 DFAAHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@H]2CCCN(C)C2)CC1 ZINC000225514247 426603294 /nfs/dbraw/zinc/60/32/94/426603294.db2.gz JUOPBAQLZQBKFK-FHWLQOOXSA-N 1 3 305.510 2.691 50 0 DFAAHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000252536926 427187849 /nfs/dbraw/zinc/18/78/49/427187849.db2.gz JUOPBAQLZQBKFK-IPMKNSEASA-N 1 3 305.510 2.691 50 0 DFAAHO Nc1cc[nH+]cc1-c1cccc(C(=O)NCCN2CCCCC2)c1 ZINC000299766846 427768485 /nfs/dbraw/zinc/76/84/85/427768485.db2.gz GIENQLSLFJODFT-UHFFFAOYSA-N 1 3 324.428 2.547 50 0 DFAAHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCC1 ZINC000178306223 315990038 /nfs/dbraw/zinc/99/00/38/315990038.db2.gz HQBPPNGTGURMSQ-HNNXBMFYSA-N 1 3 302.462 2.922 50 0 DFAAHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000095427146 185361888 /nfs/dbraw/zinc/36/18/88/185361888.db2.gz FESOYRATLQSURL-JKSUJKDBSA-N 1 3 323.481 2.604 50 0 DFAAHO CCN(C)C[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091602 /nfs/dbraw/zinc/09/16/02/193091602.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 1 3 304.478 2.802 50 0 DFAAHO CCN(C)C[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091603 /nfs/dbraw/zinc/09/16/03/193091603.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 1 3 304.478 2.802 50 0 DFAAHO COCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091794171 193109456 /nfs/dbraw/zinc/10/94/56/193109456.db2.gz YRALBPLQINBZNW-GOSISDBHSA-N 1 3 302.462 2.834 50 0 DFAAHO COCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091794171 193109458 /nfs/dbraw/zinc/10/94/58/193109458.db2.gz YRALBPLQINBZNW-GOSISDBHSA-N 1 3 302.462 2.834 50 0 DFAAHO OC1(C[NH+]2CCCC2)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000216483405 257273423 /nfs/dbraw/zinc/27/34/23/257273423.db2.gz VEMVVGFZACNZLJ-UHFFFAOYSA-N 1 3 313.445 2.591 50 0 DFAAHO C[NH+]1CCC(N2CCC(Nc3ncccc3Cl)CC2)CC1 ZINC000095964909 426378691 /nfs/dbraw/zinc/37/86/91/426378691.db2.gz OOHFCXFYKBATTI-UHFFFAOYSA-N 1 3 308.857 2.706 50 0 DFAAHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 ZINC000096491278 426435845 /nfs/dbraw/zinc/43/58/45/426435845.db2.gz IDXPHEUFTGJFRC-HOCLYGCPSA-N 1 3 317.433 2.778 50 0 DFAAHO Cc1cc(N2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000097743155 426473810 /nfs/dbraw/zinc/47/38/10/426473810.db2.gz LEPLFPPLLXOUBG-MRXNPFEDSA-N 1 3 303.450 2.717 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000246005723 426790866 /nfs/dbraw/zinc/79/08/66/426790866.db2.gz HDOSKDIKWPTDKM-IBGZPJMESA-N 1 3 319.468 2.820 50 0 DFAAHO CC1=CCC[C@@H](C)[C@@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000097109386 275909019 /nfs/dbraw/zinc/90/90/19/275909019.db2.gz XRZSXCOXCFAURY-RTBURBONSA-N 1 3 305.510 2.692 50 0 DFAAHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000095427032 185361883 /nfs/dbraw/zinc/36/18/83/185361883.db2.gz PLNSNPQJCHXZRR-IAGOWNOFSA-N 1 3 320.458 2.656 50 0 DFAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000072170116 191067740 /nfs/dbraw/zinc/06/77/40/191067740.db2.gz VTRRFOMIOBVFTQ-LJQANCHMSA-N 1 3 313.445 2.513 50 0 DFAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000072170115 191067832 /nfs/dbraw/zinc/06/78/32/191067832.db2.gz VTRRFOMIOBVFTQ-IBGZPJMESA-N 1 3 313.445 2.513 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000253370587 186301710 /nfs/dbraw/zinc/30/17/10/186301710.db2.gz STQRGHGRXRYHLJ-UXHICEINSA-N 1 3 315.505 2.940 50 0 DFAAHO COCCCN(Cc1ccc(OC)c(F)c1)C1CC[NH+](C)CC1 ZINC000072420472 191157158 /nfs/dbraw/zinc/15/71/58/191157158.db2.gz OTLBCWGXJHTZRT-UHFFFAOYSA-N 1 3 324.440 2.767 50 0 DFAAHO O[C@]12CCNC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC000091288554 193032086 /nfs/dbraw/zinc/03/20/86/193032086.db2.gz JAKRMXSVFYWABM-SFTDATJTSA-N 1 3 322.452 2.900 50 0 DFAAHO O[C@]12CCNC[C@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC000091288554 193032089 /nfs/dbraw/zinc/03/20/89/193032089.db2.gz JAKRMXSVFYWABM-SFTDATJTSA-N 1 3 322.452 2.900 50 0 DFAAHO c1cc([C@@H]2CCCO2)sc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000426479158 257249604 /nfs/dbraw/zinc/24/96/04/257249604.db2.gz WWHFMFBLAFKHEL-HNNXBMFYSA-N 1 3 322.474 2.554 50 0 DFAAHO Cc1cc(C)n(C[C@@H](C)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000670449766 544041854 /nfs/dbraw/zinc/04/18/54/544041854.db2.gz AOUVMNHIVSPQIE-OAHLLOKOSA-N 1 3 300.450 2.740 50 0 DFAAHO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)n1 ZINC000670449766 544041859 /nfs/dbraw/zinc/04/18/59/544041859.db2.gz AOUVMNHIVSPQIE-OAHLLOKOSA-N 1 3 300.450 2.740 50 0 DFAAHO CN(CCCNC(=[NH2+])NCc1ccccc1)Cc1ccccc1 ZINC000057752206 425897175 /nfs/dbraw/zinc/89/71/75/425897175.db2.gz SDEDFDSLBHBWNM-UHFFFAOYSA-N 1 3 310.445 2.823 50 0 DFAAHO Cc1nn2cc(CNC3CCC4(CC[NH2+]CC4)CC3)nc2s1 ZINC000067785220 425913443 /nfs/dbraw/zinc/91/34/43/425913443.db2.gz BZZITUQNCFBUAW-UHFFFAOYSA-N 1 3 319.478 2.501 50 0 DFAAHO Cc1ncc(CN2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664250 425710802 /nfs/dbraw/zinc/71/08/02/425710802.db2.gz NYPJELBGZLRNJU-GOSISDBHSA-N 1 3 318.509 2.918 50 0 DFAAHO [NH3+]CC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170270 426556579 /nfs/dbraw/zinc/55/65/79/426556579.db2.gz XQXJTICYXFHXLW-IBGZPJMESA-N 1 3 310.441 2.868 50 0 DFAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCO)CC2)C1 ZINC000091585940 193075313 /nfs/dbraw/zinc/07/53/13/193075313.db2.gz ABESPZMGUGLDLE-SFHVURJKSA-N 1 3 302.462 2.570 50 0 DFAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCO)CC2)C1 ZINC000091585940 193075314 /nfs/dbraw/zinc/07/53/14/193075314.db2.gz ABESPZMGUGLDLE-SFHVURJKSA-N 1 3 302.462 2.570 50 0 DFAAHO C[C@@H]1C[N@H+](Cc2cc(CN3CCCC3)cs2)CC[C@]1(C)O ZINC000091707395 193095023 /nfs/dbraw/zinc/09/50/23/193095023.db2.gz LLUUNBDTDNMLRG-PBHICJAKSA-N 1 3 308.491 2.937 50 0 DFAAHO C[C@@H]1C[N@@H+](Cc2cc(CN3CCCC3)cs2)CC[C@]1(C)O ZINC000091707395 193095025 /nfs/dbraw/zinc/09/50/25/193095025.db2.gz LLUUNBDTDNMLRG-PBHICJAKSA-N 1 3 308.491 2.937 50 0 DFAAHO Cc1cc(C)c(C[NH+]2CCC3(CC2)CN(C)CCN3C)cc1C ZINC000067540246 425911277 /nfs/dbraw/zinc/91/12/77/425911277.db2.gz WOPQMIKAKHNAKP-UHFFFAOYSA-N 1 3 315.505 2.824 50 0 DFAAHO CC[NH+]1CCC(N2CCC(n3cc(CC(C)C)nn3)CC2)CC1 ZINC000048179642 425873555 /nfs/dbraw/zinc/87/35/55/425873555.db2.gz JXVROGGHZLORBE-UHFFFAOYSA-N 1 3 319.497 2.598 50 0 DFAAHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 ZINC000096491282 426435438 /nfs/dbraw/zinc/43/54/38/426435438.db2.gz IDXPHEUFTGJFRC-GOEBONIOSA-N 1 3 317.433 2.778 50 0 DFAAHO COc1ccccc1OCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000252483987 427177950 /nfs/dbraw/zinc/17/79/50/427177950.db2.gz FLRKPQHFGQGNBM-INIZCTEOSA-N 1 3 306.450 2.880 50 0 DFAAHO COc1ccccc1OCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000252483987 427177953 /nfs/dbraw/zinc/17/79/53/427177953.db2.gz FLRKPQHFGQGNBM-INIZCTEOSA-N 1 3 306.450 2.880 50 0 DFAAHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000253425754 427207281 /nfs/dbraw/zinc/20/72/81/427207281.db2.gz HDTUJELYLUPJEM-APWZRJJASA-N 1 3 319.468 2.592 50 0 DFAAHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000253425754 427207289 /nfs/dbraw/zinc/20/72/89/427207289.db2.gz HDTUJELYLUPJEM-APWZRJJASA-N 1 3 319.468 2.592 50 0 DFAAHO CC(C)n1nc(CNCC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000261492034 427337099 /nfs/dbraw/zinc/33/70/99/427337099.db2.gz QHXROGABIHIDBY-UHFFFAOYSA-N 1 3 313.449 2.615 50 0 DFAAHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419819 332169843 /nfs/dbraw/zinc/16/98/43/332169843.db2.gz PCSSIBZRKBXHJJ-WMZOPIPTSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCn3cccn3)CC2)C1 ZINC000095419819 332169845 /nfs/dbraw/zinc/16/98/45/332169845.db2.gz PCSSIBZRKBXHJJ-WMZOPIPTSA-N 1 3 304.482 2.906 50 0 DFAAHO CN1CCN(CC2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000095829258 185384205 /nfs/dbraw/zinc/38/42/05/185384205.db2.gz NKXFOFOVVAQHTA-UHFFFAOYSA-N 1 3 301.478 2.536 50 0 DFAAHO CC[NH+]1CCC(NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000022935292 182342548 /nfs/dbraw/zinc/34/25/48/182342548.db2.gz MBTYWVBAWTXARV-MRXNPFEDSA-N 1 3 307.507 2.959 50 0 DFAAHO CCN1CCC([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000022935292 182342551 /nfs/dbraw/zinc/34/25/51/182342551.db2.gz MBTYWVBAWTXARV-MRXNPFEDSA-N 1 3 307.507 2.959 50 0 DFAAHO CC(C)C[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000167790049 256587981 /nfs/dbraw/zinc/58/79/81/256587981.db2.gz AARFZAOEYHEPHL-QAPCUYQASA-N 1 3 317.477 2.702 50 0 DFAAHO CC(C)[NH+]1CCC(N2CCC(CNC(=O)C(C)(C)C)CC2)CC1 ZINC000067982752 425915097 /nfs/dbraw/zinc/91/50/97/425915097.db2.gz MBOMBFRYFPROIT-UHFFFAOYSA-N 1 3 323.525 2.734 50 0 DFAAHO CN1CCC([N@@H+]2CC[C@H](c3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000035446603 425844314 /nfs/dbraw/zinc/84/43/14/425844314.db2.gz BUUAUDYNFRAFIK-LBPRGKRZSA-N 1 3 302.397 2.586 50 0 biogenic,in-vitro DFAAHO CN1CCC([N@H+]2CC[C@H](c3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000035446603 425844315 /nfs/dbraw/zinc/84/43/15/425844315.db2.gz BUUAUDYNFRAFIK-LBPRGKRZSA-N 1 3 302.397 2.586 50 0 biogenic,in-vitro DFAAHO C[C@H](c1cc(F)ccc1F)N(C)CC1CC[NH+](CCO)CC1 ZINC000069628446 425950883 /nfs/dbraw/zinc/95/08/83/425950883.db2.gz ZFKUTTWFQQJXMI-CYBMUJFWSA-N 1 3 312.404 2.662 50 0 DFAAHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)s2)CC1 ZINC000069658895 425952125 /nfs/dbraw/zinc/95/21/25/425952125.db2.gz MWZDUOIQGMEPFU-LBPRGKRZSA-N 1 3 316.898 2.926 50 0 DFAAHO COc1ccc2[nH]nc(CN3CCC([C@@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407433 426132425 /nfs/dbraw/zinc/13/24/25/426132425.db2.gz IVKOUPLAWQXJHP-CYBMUJFWSA-N 1 3 316.449 2.734 50 0 DFAAHO COc1ccc2n[nH]c(CN3CCC([C@@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407433 426132427 /nfs/dbraw/zinc/13/24/27/426132427.db2.gz IVKOUPLAWQXJHP-CYBMUJFWSA-N 1 3 316.449 2.734 50 0 DFAAHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)Cn1cccn1 ZINC000097162470 426456137 /nfs/dbraw/zinc/45/61/37/426456137.db2.gz SNGHYMFXKHLNSM-INIZCTEOSA-N 1 3 300.450 2.902 50 0 DFAAHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)Cn1cccn1 ZINC000097162470 426456140 /nfs/dbraw/zinc/45/61/40/426456140.db2.gz SNGHYMFXKHLNSM-INIZCTEOSA-N 1 3 300.450 2.902 50 0 DFAAHO COc1ccccc1OCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000252483988 427179673 /nfs/dbraw/zinc/17/96/73/427179673.db2.gz FLRKPQHFGQGNBM-MRXNPFEDSA-N 1 3 306.450 2.880 50 0 DFAAHO COc1ccccc1OCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000252483988 427179680 /nfs/dbraw/zinc/17/96/80/427179680.db2.gz FLRKPQHFGQGNBM-MRXNPFEDSA-N 1 3 306.450 2.880 50 0 DFAAHO CCC[C@@H]1CNCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000097165826 332193658 /nfs/dbraw/zinc/19/36/58/332193658.db2.gz QFXFMHLOLOXUJC-HXUWFJFHSA-N 1 3 315.505 2.767 50 0 DFAAHO CCC[C@@H]1CNCC[N@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000097165826 332193659 /nfs/dbraw/zinc/19/36/59/332193659.db2.gz QFXFMHLOLOXUJC-HXUWFJFHSA-N 1 3 315.505 2.767 50 0 DFAAHO CCC[C@H]1CNCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000097165827 332193733 /nfs/dbraw/zinc/19/37/33/332193733.db2.gz QFXFMHLOLOXUJC-FQEVSTJZSA-N 1 3 315.505 2.767 50 0 DFAAHO CCC[C@H]1CNCC[N@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000097165827 332193734 /nfs/dbraw/zinc/19/37/34/332193734.db2.gz QFXFMHLOLOXUJC-FQEVSTJZSA-N 1 3 315.505 2.767 50 0 DFAAHO CNc1cc([C@H]2C[C@@H](NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)ncn1 ZINC000223855608 563737199 /nfs/dbraw/zinc/73/71/99/563737199.db2.gz PGOOYQFZRXLEFF-JOCQHMNTSA-N 1 3 317.481 2.663 50 0 DFAAHO CNc1cc([C@H]2C[C@@H]([NH2+]C3CC(C)(C)NC(C)(C)C3)C2)ncn1 ZINC000223855608 563737201 /nfs/dbraw/zinc/73/72/01/563737201.db2.gz PGOOYQFZRXLEFF-JOCQHMNTSA-N 1 3 317.481 2.663 50 0 DFAAHO CN1CCC[C@@H]1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000000757256 398346402 /nfs/dbraw/zinc/34/64/02/398346402.db2.gz MWRGHCWYMGERLO-HXUWFJFHSA-N 1 3 315.505 2.767 50 0 DFAAHO C[NH+](C)CCCC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000095452473 185369334 /nfs/dbraw/zinc/36/93/34/185369334.db2.gz HTSCLGIFGKWUSO-JOCHJYFZSA-N 1 3 322.518 2.848 50 0 DFAAHO O=C(CCC(=O)CC[NH+]1CCCCC1)CCN1CCCCC1 ZINC000004337654 181099098 /nfs/dbraw/zinc/09/90/98/181099098.db2.gz HVLAPBNSKSHPTL-UHFFFAOYSA-N 1 3 308.466 2.657 50 0 DFAAHO Cc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)o1 ZINC000169783890 399001321 /nfs/dbraw/zinc/00/13/21/399001321.db2.gz CFXFHFXVGZPSEV-INIZCTEOSA-N 1 3 318.461 2.647 50 0 DFAAHO Cc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@H]3CO)CC2)o1 ZINC000169783890 399001329 /nfs/dbraw/zinc/00/13/29/399001329.db2.gz CFXFHFXVGZPSEV-INIZCTEOSA-N 1 3 318.461 2.647 50 0 DFAAHO C1CC2(CC[NH2+]1)CCCN(C1CSCCSC1)CC2 ZINC000426409561 257251604 /nfs/dbraw/zinc/25/16/04/257251604.db2.gz WMHJMMAHAWHMIH-UHFFFAOYSA-N 1 3 300.537 2.691 50 0 DFAAHO O[C@@]1(C[NH2+]Cc2cccc3[nH]ccc32)CCCN2CCCC[C@@H]21 ZINC000067770905 425913094 /nfs/dbraw/zinc/91/30/94/425913094.db2.gz AGOGPYYWWAAROA-RTBURBONSA-N 1 3 313.445 2.637 50 0 DFAAHO Cc1ccc(CN2CCC(C[N@@H+](C)CC(C)(C)CO)CC2)o1 ZINC000014953455 425775421 /nfs/dbraw/zinc/77/54/21/425775421.db2.gz PSPCHZDWWHKDOB-UHFFFAOYSA-N 1 3 308.466 2.750 50 0 DFAAHO Cc1ccc(CN2CCC(C[N@H+](C)CC(C)(C)CO)CC2)o1 ZINC000014953455 425775425 /nfs/dbraw/zinc/77/54/25/425775425.db2.gz PSPCHZDWWHKDOB-UHFFFAOYSA-N 1 3 308.466 2.750 50 0 DFAAHO CC(C)C[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000167789836 426133124 /nfs/dbraw/zinc/13/31/24/426133124.db2.gz AARFZAOEYHEPHL-YJBOKZPZSA-N 1 3 317.477 2.702 50 0 DFAAHO CCc1ccc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000222429346 426584694 /nfs/dbraw/zinc/58/46/94/426584694.db2.gz LSMAWHZMBONVIL-UHFFFAOYSA-N 1 3 316.489 2.919 50 0 DFAAHO Cc1nc2ccccc2n1C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262052510 282079745 /nfs/dbraw/zinc/07/97/45/282079745.db2.gz QJXIXKLUFJQZKM-QFBILLFUSA-N 1 3 312.461 2.809 50 0 DFAAHO CCn1cc(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000328586753 231233129 /nfs/dbraw/zinc/23/31/29/231233129.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 1 3 324.472 2.509 50 0 DFAAHO CCn1cc(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000328586753 231233134 /nfs/dbraw/zinc/23/31/34/231233134.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 1 3 324.472 2.509 50 0 DFAAHO OC1CCN(Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000095423607 185361114 /nfs/dbraw/zinc/36/11/14/185361114.db2.gz LPSJKOHWPRPAGD-UHFFFAOYSA-N 1 3 314.473 2.922 50 0 DFAAHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCOC1 ZINC000284423296 218020561 /nfs/dbraw/zinc/02/05/61/218020561.db2.gz RJZIMPGSKZOVTP-DOTOQJQBSA-N 1 3 318.461 2.674 50 0 DFAAHO CC(C)(N)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426727292 257243719 /nfs/dbraw/zinc/24/37/19/257243719.db2.gz ASKBBAKAPSPDFH-LJQANCHMSA-N 1 3 321.509 2.619 50 0 DFAAHO CC(C)(N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426727292 257243721 /nfs/dbraw/zinc/24/37/21/257243721.db2.gz ASKBBAKAPSPDFH-LJQANCHMSA-N 1 3 321.509 2.619 50 0 DFAAHO C[C@@H](C1CCN(Cc2cccc(F)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077391400 426132379 /nfs/dbraw/zinc/13/23/79/426132379.db2.gz AIQHOHTWWVWKSD-INIZCTEOSA-N 1 3 319.468 2.674 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000089382466 426288081 /nfs/dbraw/zinc/28/80/81/426288081.db2.gz NHSWTTFEGRSKGE-FQEVSTJZSA-N 1 3 315.505 2.625 50 0 DFAAHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160170 426455509 /nfs/dbraw/zinc/45/55/09/426455509.db2.gz RFMDXJAJCBSRIP-CQSZACIVSA-N 1 3 302.422 2.800 50 0 DFAAHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419821 332169791 /nfs/dbraw/zinc/16/97/91/332169791.db2.gz PCSSIBZRKBXHJJ-FUHWJXTLSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCn3cccn3)CC2)C1 ZINC000095419821 332169792 /nfs/dbraw/zinc/16/97/92/332169792.db2.gz PCSSIBZRKBXHJJ-FUHWJXTLSA-N 1 3 304.482 2.906 50 0 DFAAHO S=C1N(CN2CCCCCC2)CCN1C[NH+]1CCCCCC1 ZINC000000333378 180760751 /nfs/dbraw/zinc/76/07/51/180760751.db2.gz BUEJIKAWFIECME-UHFFFAOYSA-N 1 3 324.538 2.556 50 0 DFAAHO CN(C)Cc1ccc([C@@H]2CC[C@@H](c3ccc(CN(C)C)[nH]3)[NH2+]2)[nH]1 ZINC000006378961 181335870 /nfs/dbraw/zinc/33/58/70/181335870.db2.gz SFXBYWGDODJASS-ROUUACIJSA-N 1 3 315.465 2.632 50 0 DFAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262676379 203378544 /nfs/dbraw/zinc/37/85/44/203378544.db2.gz SAQLQJUSLYCNRT-MVJTYMMSSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262676379 203378548 /nfs/dbraw/zinc/37/85/48/203378548.db2.gz SAQLQJUSLYCNRT-MVJTYMMSSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 ZINC000058231835 184092245 /nfs/dbraw/zinc/09/22/45/184092245.db2.gz USGRYGAYDGZSOJ-KRWDZBQOSA-N 1 3 318.465 2.566 50 0 DFAAHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 ZINC000058231835 184092247 /nfs/dbraw/zinc/09/22/47/184092247.db2.gz USGRYGAYDGZSOJ-KRWDZBQOSA-N 1 3 318.465 2.566 50 0 DFAAHO CN1CCCN(c2ncccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000215853787 542874231 /nfs/dbraw/zinc/87/42/31/542874231.db2.gz AXYDLHUSDKDTQX-QGZVFWFLSA-N 1 3 314.477 2.669 50 0 DFAAHO Cc1nc2ccccc2n1C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262052506 146327433 /nfs/dbraw/zinc/32/74/33/146327433.db2.gz QJXIXKLUFJQZKM-APWZRJJASA-N 1 3 312.461 2.809 50 0 DFAAHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000069348729 425935770 /nfs/dbraw/zinc/93/57/70/425935770.db2.gz NDNPURAVIIWBEG-UHFFFAOYSA-N 1 3 315.461 2.823 50 0 DFAAHO Cc1ncc(CN2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664249 425710826 /nfs/dbraw/zinc/71/08/26/425710826.db2.gz NYPJELBGZLRNJU-SFHVURJKSA-N 1 3 318.509 2.918 50 0 DFAAHO CC[N@H+](Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000215191644 426549370 /nfs/dbraw/zinc/54/93/70/426549370.db2.gz IIXIUOPXUUAVKW-RTBURBONSA-N 1 3 320.477 2.752 50 0 DFAAHO CC[N@@H+](Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000215191644 426549374 /nfs/dbraw/zinc/54/93/74/426549374.db2.gz IIXIUOPXUUAVKW-RTBURBONSA-N 1 3 320.477 2.752 50 0 DFAAHO CN1CCC(N2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874284 426728130 /nfs/dbraw/zinc/72/81/30/426728130.db2.gz WYGYCTLJQPBISB-RBUKOAKNSA-N 1 3 305.510 2.810 50 0 DFAAHO CN1CCC(N2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874284 426728134 /nfs/dbraw/zinc/72/81/34/426728134.db2.gz WYGYCTLJQPBISB-RBUKOAKNSA-N 1 3 305.510 2.810 50 0 DFAAHO CC1=CCC[C@H](C)[C@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000097104769 275914118 /nfs/dbraw/zinc/91/41/18/275914118.db2.gz XRZSXCOXCFAURY-OALUTQOASA-N 1 3 305.510 2.692 50 0 DFAAHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419076 185359910 /nfs/dbraw/zinc/35/99/10/185359910.db2.gz UCXAVMJGMOOOLO-AEFFLSMTSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCn3ccnc3)CC2)C1 ZINC000095419076 185359911 /nfs/dbraw/zinc/35/99/11/185359911.db2.gz UCXAVMJGMOOOLO-AEFFLSMTSA-N 1 3 304.482 2.906 50 0 DFAAHO CCN(C)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060824 /nfs/dbraw/zinc/06/08/24/193060824.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 1 3 312.457 2.832 50 0 DFAAHO CCN(C)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060826 /nfs/dbraw/zinc/06/08/26/193060826.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 1 3 312.457 2.832 50 0 DFAAHO CC[N@H+](CCN(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000019636739 182134599 /nfs/dbraw/zinc/13/45/99/182134599.db2.gz HRQBFEOQIQNCAL-UHFFFAOYSA-N 1 3 303.494 2.577 50 0 DFAAHO CC[N@@H+](CCN(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000019636739 182134602 /nfs/dbraw/zinc/13/46/02/182134602.db2.gz HRQBFEOQIQNCAL-UHFFFAOYSA-N 1 3 303.494 2.577 50 0 DFAAHO [NH3+]CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019736940 182140935 /nfs/dbraw/zinc/14/09/35/182140935.db2.gz VYYOIRFXORRYKC-UHFFFAOYSA-N 1 3 309.457 2.742 50 0 DFAAHO C[C@H](C1CCN(Cc2cccc(F)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077391403 426131978 /nfs/dbraw/zinc/13/19/78/426131978.db2.gz AIQHOHTWWVWKSD-MRXNPFEDSA-N 1 3 319.468 2.674 50 0 DFAAHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000089314321 426286149 /nfs/dbraw/zinc/28/61/49/426286149.db2.gz ONIDLISIKWGMSR-MRXNPFEDSA-N 1 3 307.507 2.741 50 0 DFAAHO CCN1CC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000124177797 426473524 /nfs/dbraw/zinc/47/35/24/426473524.db2.gz YMDGUXUPAUXURQ-IBGZPJMESA-N 1 3 315.505 2.625 50 0 DFAAHO [NH3+]CC[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170223 426558859 /nfs/dbraw/zinc/55/88/59/426558859.db2.gz XQXJTICYXFHXLW-LJQANCHMSA-N 1 3 310.441 2.868 50 0 DFAAHO C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000240551526 426715649 /nfs/dbraw/zinc/71/56/49/426715649.db2.gz GUKIXORTYCIUMN-HKUYNNGSSA-N 1 3 301.478 2.582 50 0 DFAAHO CN1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccn2)CC1 ZINC000244719156 426726921 /nfs/dbraw/zinc/72/69/21/426726921.db2.gz LXZHUIYGEAFTGD-QGZVFWFLSA-N 1 3 303.450 2.547 50 0 DFAAHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245339160 426732620 /nfs/dbraw/zinc/73/26/20/426732620.db2.gz QYQJTWSPPULTRS-WMLDXEAASA-N 1 3 323.506 2.589 50 0 DFAAHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245339160 426732625 /nfs/dbraw/zinc/73/26/25/426732625.db2.gz QYQJTWSPPULTRS-WMLDXEAASA-N 1 3 323.506 2.589 50 0 DFAAHO CC1(C)C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)(C)O1 ZINC000253426014 278388145 /nfs/dbraw/zinc/38/81/45/278388145.db2.gz XKXLZOCNGMHBBN-INIZCTEOSA-N 1 3 303.450 2.986 50 0 DFAAHO CN1CCC(C[NH2+]C(C2CC2)C2CC2)(N2CCCCC2)CC1 ZINC000095423388 289878416 /nfs/dbraw/zinc/87/84/16/289878416.db2.gz SOWHVXPTWFQXIM-UHFFFAOYSA-N 1 3 305.510 2.715 50 0 DFAAHO CCN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000003683619 398348567 /nfs/dbraw/zinc/34/85/67/398348567.db2.gz FCNOVTQGQFZVAA-UHFFFAOYSA-N 1 3 301.478 2.725 50 0 DFAAHO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ccncc2)C1 ZINC000095391666 185351785 /nfs/dbraw/zinc/35/17/85/185351785.db2.gz CORKSQAHJALGIA-MRXNPFEDSA-N 1 3 313.449 2.614 50 0 DFAAHO CN1CCN(CCC(C[NH3+])(c2ccccc2)c2ccccc2)CC1 ZINC000071770706 191030315 /nfs/dbraw/zinc/03/03/15/191030315.db2.gz LIYFTLBOEBDOEC-UHFFFAOYSA-N 1 3 323.484 2.569 50 0 DFAAHO C[C@H](Cc1ccccc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188037767 186247746 /nfs/dbraw/zinc/24/77/46/186247746.db2.gz ULQKLXBNQFWOSW-HZPDHXFCSA-N 1 3 320.452 2.847 50 0 DFAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCO)CC2)C1 ZINC000091585939 193075809 /nfs/dbraw/zinc/07/58/09/193075809.db2.gz ABESPZMGUGLDLE-GOSISDBHSA-N 1 3 302.462 2.570 50 0 DFAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCO)CC2)C1 ZINC000091585939 193075811 /nfs/dbraw/zinc/07/58/11/193075811.db2.gz ABESPZMGUGLDLE-GOSISDBHSA-N 1 3 302.462 2.570 50 0 DFAAHO Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)nc(N)n1 ZINC000091847876 193116913 /nfs/dbraw/zinc/11/69/13/193116913.db2.gz CYLMNFMQWGXSLO-HNNXBMFYSA-N 1 3 315.396 2.755 50 0 DFAAHO CN(Cc1cc(-c2ccncc2)no1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000243885903 257259378 /nfs/dbraw/zinc/25/93/78/257259378.db2.gz ADQWVSVCAOQXTR-OTVXOJSOSA-N 1 3 300.406 2.686 50 0 DFAAHO Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000067384804 425909942 /nfs/dbraw/zinc/90/99/42/425909942.db2.gz OJTADSOESYWMFG-MRXNPFEDSA-N 1 3 311.433 2.691 50 0 DFAAHO Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000067384804 425909943 /nfs/dbraw/zinc/90/99/43/425909943.db2.gz OJTADSOESYWMFG-MRXNPFEDSA-N 1 3 311.433 2.691 50 0 DFAAHO C/C=C/CC(=O)NC[C@@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067696476 425912829 /nfs/dbraw/zinc/91/28/29/425912829.db2.gz JVATXDMYAIMOLD-LFAOLKIESA-N 1 3 321.509 2.700 50 0 DFAAHO C/C=C/CC(=O)NC[C@@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067696476 425912830 /nfs/dbraw/zinc/91/28/30/425912830.db2.gz JVATXDMYAIMOLD-LFAOLKIESA-N 1 3 321.509 2.700 50 0 DFAAHO CN(C)Cc1ccc([C@H]2CC[C@H](c3ccc(CN(C)C)[nH]3)[NH2+]2)[nH]1 ZINC000002519584 425595521 /nfs/dbraw/zinc/59/55/21/425595521.db2.gz SFXBYWGDODJASS-QZTJIDSGSA-N 1 3 315.465 2.632 50 0 DFAAHO Cc1c[nH+]ccc1N1CCCN(Cc2cccc3nonc32)CC1 ZINC000077377527 426130691 /nfs/dbraw/zinc/13/06/91/426130691.db2.gz GCWPPYSAXWEMES-UHFFFAOYSA-N 1 3 323.400 2.639 50 0 DFAAHO O[C@]1(CN2CCCCC2)CC[N@H+](CCCc2ccccc2)C1 ZINC000077392551 426132237 /nfs/dbraw/zinc/13/22/37/426132237.db2.gz UMVOMNBAIUVZSY-IBGZPJMESA-N 1 3 302.462 2.542 50 0 DFAAHO O[C@]1(CN2CCCCC2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000077392551 426132240 /nfs/dbraw/zinc/13/22/40/426132240.db2.gz UMVOMNBAIUVZSY-IBGZPJMESA-N 1 3 302.462 2.542 50 0 DFAAHO CC(C)C[C@H](O)C1CCN(Cc2cccc(CC[NH3+])c2)CC1 ZINC000077422195 426133436 /nfs/dbraw/zinc/13/34/36/426133436.db2.gz JVKVXKHAZPCASB-IBGZPJMESA-N 1 3 304.478 2.807 50 0 DFAAHO CC1=CCC[C@H](C)[C@@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000097109392 426450570 /nfs/dbraw/zinc/45/05/70/426450570.db2.gz XRZSXCOXCFAURY-RBUKOAKNSA-N 1 3 305.510 2.692 50 0 DFAAHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419078 185359722 /nfs/dbraw/zinc/35/97/22/185359722.db2.gz UCXAVMJGMOOOLO-SJLPKXTDSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCn3ccnc3)CC2)C1 ZINC000095419078 185359723 /nfs/dbraw/zinc/35/97/23/185359723.db2.gz UCXAVMJGMOOOLO-SJLPKXTDSA-N 1 3 304.482 2.906 50 0 DFAAHO OC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1cccs1)CC2 ZINC000169782458 399001253 /nfs/dbraw/zinc/00/12/53/399001253.db2.gz TYFPRRRYRYBDEM-OAHLLOKOSA-N 1 3 320.502 2.807 50 0 DFAAHO OC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1cccs1)CC2 ZINC000169782458 399001260 /nfs/dbraw/zinc/00/12/60/399001260.db2.gz TYFPRRRYRYBDEM-OAHLLOKOSA-N 1 3 320.502 2.807 50 0 DFAAHO C[NH+](C)Cc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000017319381 182082652 /nfs/dbraw/zinc/08/26/52/182082652.db2.gz CJFMAKVGBIJHEI-UHFFFAOYSA-N 1 3 312.413 2.809 50 0 DFAAHO COC(=O)CCC1=C(C)/C(=C\c2[nH]cc(CC[NH3+])c2C)N=C1 ZINC000043760946 183384901 /nfs/dbraw/zinc/38/49/01/183384901.db2.gz MASRCZLLXINOSO-OVCLIPMQSA-N 1 3 301.390 2.519 50 0 DFAAHO Cc1ccc(C)c(C[NH2+]C[C@]2(O)CCCN3CCCC[C@@H]32)c1 ZINC000063835446 425901268 /nfs/dbraw/zinc/90/12/68/425901268.db2.gz VQFPGAZBCKEZPG-RTBURBONSA-N 1 3 302.462 2.772 50 0 DFAAHO CC[N@H+](CCOC)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011879639 425714784 /nfs/dbraw/zinc/71/47/84/425714784.db2.gz GVVLAJZDQRZSLH-UHFFFAOYSA-N 1 3 320.477 2.876 50 0 DFAAHO CC[N@@H+](CCOC)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011879639 425714787 /nfs/dbraw/zinc/71/47/87/425714787.db2.gz GVVLAJZDQRZSLH-UHFFFAOYSA-N 1 3 320.477 2.876 50 0 DFAAHO c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000030907285 425833685 /nfs/dbraw/zinc/83/36/85/425833685.db2.gz FVYIBSROUCZFGK-GFCCVEGCSA-N 1 3 302.447 2.712 50 0 DFAAHO C[NH+](C)CCCn1ccnc1C1CCN(c2ccncc2)CC1 ZINC000095385941 426371044 /nfs/dbraw/zinc/37/10/44/426371044.db2.gz ARADJSAJJXHAMX-UHFFFAOYSA-N 1 3 313.449 2.614 50 0 DFAAHO CN1CCCN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123182707 426418882 /nfs/dbraw/zinc/41/88/82/426418882.db2.gz LAUJSBMOOWSDJT-UHFFFAOYSA-N 1 3 321.431 2.725 50 0 DFAAHO Cn1ccnc1[C@H](NC1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000067757440 303003339 /nfs/dbraw/zinc/00/33/39/303003339.db2.gz NSYPHMUPIYNNIK-MRXNPFEDSA-N 1 3 302.466 2.773 50 0 DFAAHO Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)nc(N)n1 ZINC000091847879 193117130 /nfs/dbraw/zinc/11/71/30/193117130.db2.gz CYLMNFMQWGXSLO-OAHLLOKOSA-N 1 3 315.396 2.755 50 0 DFAAHO CC(C)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019789910 182149384 /nfs/dbraw/zinc/14/93/84/182149384.db2.gz AGYRXUZTFBOLMO-UHFFFAOYSA-N 1 3 301.478 2.677 50 0 DFAAHO Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2CNCC3)c(-n2cccn2)c1 ZINC000065386303 184333359 /nfs/dbraw/zinc/33/33/59/184333359.db2.gz ZLWVAAIHKCTSNU-SJORKVTESA-N 1 3 310.445 2.815 50 0 DFAAHO Cc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CNCC3)c(-n2cccn2)c1 ZINC000065386303 184333361 /nfs/dbraw/zinc/33/33/61/184333361.db2.gz ZLWVAAIHKCTSNU-SJORKVTESA-N 1 3 310.445 2.815 50 0 DFAAHO CCc1ccccc1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220392390 542881349 /nfs/dbraw/zinc/88/13/49/542881349.db2.gz HMLVTLAXHYJXCU-UHFFFAOYSA-N 1 3 316.489 2.919 50 0 DFAAHO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)CN(C)CCN3C)o1 ZINC000067603934 425911807 /nfs/dbraw/zinc/91/18/07/425911807.db2.gz ZWNAQRVNRIVFCL-INIZCTEOSA-N 1 3 319.493 2.793 50 0 DFAAHO C/C=C/CC(=O)NC[C@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067696479 425912772 /nfs/dbraw/zinc/91/27/72/425912772.db2.gz JVATXDMYAIMOLD-LQYUOIDQSA-N 1 3 321.509 2.700 50 0 DFAAHO C/C=C/CC(=O)NC[C@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067696479 425912773 /nfs/dbraw/zinc/91/27/73/425912773.db2.gz JVATXDMYAIMOLD-LQYUOIDQSA-N 1 3 321.509 2.700 50 0 DFAAHO CC(C)C[C@@H](O)C1CCN(Cc2cccc(CC[NH3+])c2)CC1 ZINC000077422200 426132763 /nfs/dbraw/zinc/13/27/63/426132763.db2.gz JVKVXKHAZPCASB-LJQANCHMSA-N 1 3 304.478 2.807 50 0 DFAAHO OC1CC[NH+](Cc2ccc(CNCc3ccsc3)cc2)CC1 ZINC000078553940 426174549 /nfs/dbraw/zinc/17/45/49/426174549.db2.gz WKVLIJHLOFUBAX-UHFFFAOYSA-N 1 3 316.470 2.995 50 0 DFAAHO Cc1nccn1CC[N@@H+](C)C[C@H]1CCCN1Cc1ccccc1 ZINC000252482008 427179723 /nfs/dbraw/zinc/17/97/23/427179723.db2.gz CWRRXGISQYGKFH-LJQANCHMSA-N 1 3 312.461 2.788 50 0 DFAAHO Cc1nccn1CC[N@H+](C)C[C@H]1CCCN1Cc1ccccc1 ZINC000252482008 427179726 /nfs/dbraw/zinc/17/97/26/427179726.db2.gz CWRRXGISQYGKFH-LJQANCHMSA-N 1 3 312.461 2.788 50 0 DFAAHO C[NH+](C)CC[C@@H](NC(=O)CN1CCCCCC1)c1ccccc1 ZINC000299765779 427767905 /nfs/dbraw/zinc/76/79/05/427767905.db2.gz ASSFBVQCISCECV-GOSISDBHSA-N 1 3 317.477 2.672 50 0 DFAAHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000065382718 277386053 /nfs/dbraw/zinc/38/60/53/277386053.db2.gz QDFGIZOPAFMLRK-PKOBYXMFSA-N 1 3 307.526 2.961 50 0 DFAAHO Cc1ccc(SCCC[N@@H+](C)C[C@@]2(O)CCCNC2)cc1 ZINC000072470288 191176117 /nfs/dbraw/zinc/17/61/17/191176117.db2.gz PTNUWEOOIFSFLX-QGZVFWFLSA-N 1 3 308.491 2.524 50 0 DFAAHO Cc1ccc(SCCC[N@H+](C)C[C@@]2(O)CCCNC2)cc1 ZINC000072470288 191176119 /nfs/dbraw/zinc/17/61/19/191176119.db2.gz PTNUWEOOIFSFLX-QGZVFWFLSA-N 1 3 308.491 2.524 50 0 DFAAHO OC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1cccs1)CC2 ZINC000169782457 399000760 /nfs/dbraw/zinc/00/07/60/399000760.db2.gz TYFPRRRYRYBDEM-HNNXBMFYSA-N 1 3 320.502 2.807 50 0 DFAAHO OC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1cccs1)CC2 ZINC000169782457 399000763 /nfs/dbraw/zinc/00/07/63/399000763.db2.gz TYFPRRRYRYBDEM-HNNXBMFYSA-N 1 3 320.502 2.807 50 0 DFAAHO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1sccc1C)CC2 ZINC000169789836 399001629 /nfs/dbraw/zinc/00/16/29/399001629.db2.gz VOFNDFIPYDRLBS-HNNXBMFYSA-N 1 3 308.491 2.847 50 0 DFAAHO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1sccc1C)CC2 ZINC000169789836 399001634 /nfs/dbraw/zinc/00/16/34/399001634.db2.gz VOFNDFIPYDRLBS-HNNXBMFYSA-N 1 3 308.491 2.847 50 0 DFAAHO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000042229198 183245043 /nfs/dbraw/zinc/24/50/43/183245043.db2.gz BONKLBYUGNBZOC-ZDUSSCGKSA-N 1 3 314.408 2.790 50 0 DFAAHO Cc1cccc(CN(C[C@@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408600 257270841 /nfs/dbraw/zinc/27/08/41/257270841.db2.gz XWCYVEWBDPRFTL-LJQANCHMSA-N 1 3 302.462 2.854 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746530 542549832 /nfs/dbraw/zinc/54/98/32/542549832.db2.gz LCBRGSCNJOIDEV-AOIWGVFYSA-N 1 3 307.526 2.818 50 0 DFAAHO Cn1ccnc1[C@@H](NC1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000067757442 425912979 /nfs/dbraw/zinc/91/29/79/425912979.db2.gz NSYPHMUPIYNNIK-INIZCTEOSA-N 1 3 302.466 2.773 50 0 DFAAHO O=C(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000067966392 425915282 /nfs/dbraw/zinc/91/52/82/425915282.db2.gz DNKMXLACGMUUEC-KRWDZBQOSA-N 1 3 300.446 2.652 50 0 DFAAHO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000067966392 425915283 /nfs/dbraw/zinc/91/52/83/425915283.db2.gz DNKMXLACGMUUEC-KRWDZBQOSA-N 1 3 300.446 2.652 50 0 DFAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OC ZINC000008253657 425664510 /nfs/dbraw/zinc/66/45/10/425664510.db2.gz ZGNHBAHBUICEKA-UHFFFAOYSA-N 1 3 300.830 2.789 50 0 DFAAHO CCOc1c(Cl)cc(C[NH2+]CCCN(C)C)cc1OC ZINC000008253381 425664548 /nfs/dbraw/zinc/66/45/48/425664548.db2.gz IZWRNAHBRYJAGJ-UHFFFAOYSA-N 1 3 300.830 2.789 50 0 DFAAHO c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000030907283 425833164 /nfs/dbraw/zinc/83/31/64/425833164.db2.gz FVYIBSROUCZFGK-LBPRGKRZSA-N 1 3 302.447 2.712 50 0 DFAAHO C[NH2+]CC1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000097095614 426448790 /nfs/dbraw/zinc/44/87/90/426448790.db2.gz BHKKCDZBCSTITJ-UHFFFAOYSA-N 1 3 312.461 2.921 50 0 DFAAHO CN(C)Cc1csc(CN2CCN(c3cccnc3)CC2)c1 ZINC000215116192 426550560 /nfs/dbraw/zinc/55/05/60/426550560.db2.gz HTZKMBOIZKCBDQ-UHFFFAOYSA-N 1 3 316.474 2.527 50 0 DFAAHO COCC[N@H+](C)CCCNCc1ccc(Br)cc1 ZINC000097287839 277212021 /nfs/dbraw/zinc/21/20/21/277212021.db2.gz UTBJCWWWAWXGDD-UHFFFAOYSA-N 1 3 315.255 2.507 50 0 DFAAHO COCC[N@@H+](C)CCCNCc1ccc(Br)cc1 ZINC000097287839 277212023 /nfs/dbraw/zinc/21/20/23/277212023.db2.gz UTBJCWWWAWXGDD-UHFFFAOYSA-N 1 3 315.255 2.507 50 0 DFAAHO CCCSc1ncc(CN2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000072126413 191041959 /nfs/dbraw/zinc/04/19/59/191041959.db2.gz HQLAGJZMXCGWDS-UHFFFAOYSA-N 1 3 320.506 2.944 50 0 DFAAHO C[C@@H](Cc1ccccc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188037695 186247571 /nfs/dbraw/zinc/24/75/71/186247571.db2.gz ULQKLXBNQFWOSW-HOTGVXAUSA-N 1 3 320.452 2.847 50 0 DFAAHO Cc1cc(NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000091474433 193061705 /nfs/dbraw/zinc/06/17/05/193061705.db2.gz UKIUDWJCQLIJMK-INIZCTEOSA-N 1 3 311.433 2.691 50 0 DFAAHO Cc1cc(NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000091474433 193061707 /nfs/dbraw/zinc/06/17/07/193061707.db2.gz UKIUDWJCQLIJMK-INIZCTEOSA-N 1 3 311.433 2.691 50 0 DFAAHO c1ccc(CCN2CCC([NH2+]CCN3CCCCC3)CC2)cc1 ZINC000022455664 182321921 /nfs/dbraw/zinc/32/19/21/182321921.db2.gz AFOYOSZCHNNUIA-UHFFFAOYSA-N 1 3 315.505 2.769 50 0 DFAAHO c1ccc(CC[NH+]2CCC(NCCN3CCCCC3)CC2)cc1 ZINC000022455664 182321923 /nfs/dbraw/zinc/32/19/23/182321923.db2.gz AFOYOSZCHNNUIA-UHFFFAOYSA-N 1 3 315.505 2.769 50 0 DFAAHO Cc1cc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374237 182358191 /nfs/dbraw/zinc/35/81/91/182358191.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 1 3 307.482 2.744 50 0 DFAAHO Cc1cc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)oc1C ZINC000023374237 182358193 /nfs/dbraw/zinc/35/81/93/182358193.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 1 3 307.482 2.744 50 0 DFAAHO Cc1cc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)oc1C ZINC000023374237 182358196 /nfs/dbraw/zinc/35/81/96/182358196.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 1 3 307.482 2.744 50 0 DFAAHO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000221762321 542882312 /nfs/dbraw/zinc/88/23/12/542882312.db2.gz NOBONNGYUUDDDU-JAZQRGJZSA-N 1 3 314.473 2.648 50 0 DFAAHO CCCc1cn(C2CCN(C[C@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055168564 425892206 /nfs/dbraw/zinc/89/22/06/425892206.db2.gz XJCQMNHVHYPWTK-INIZCTEOSA-N 1 3 319.497 2.599 50 0 DFAAHO CCCc1cn(C2CCN(C[C@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055168564 425892207 /nfs/dbraw/zinc/89/22/07/425892207.db2.gz XJCQMNHVHYPWTK-INIZCTEOSA-N 1 3 319.497 2.599 50 0 DFAAHO CN1CCC(N(C(=O)CC[NH+]2CCCCCCC2)C2CC2)CC1 ZINC000063846400 425901336 /nfs/dbraw/zinc/90/13/36/425901336.db2.gz NEJONXNKOIUGNN-UHFFFAOYSA-N 1 3 321.509 2.728 50 0 DFAAHO Cc1cn2c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)c(C)nc2s1 ZINC000037648907 425849005 /nfs/dbraw/zinc/84/90/05/425849005.db2.gz ICQFINORJRMQLH-ZDUSSCGKSA-N 1 3 304.463 2.587 50 0 DFAAHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)Cn1cccn1 ZINC000097162471 426456227 /nfs/dbraw/zinc/45/62/27/426456227.db2.gz SNGHYMFXKHLNSM-MRXNPFEDSA-N 1 3 300.450 2.902 50 0 DFAAHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)Cn1cccn1 ZINC000097162471 426456230 /nfs/dbraw/zinc/45/62/30/426456230.db2.gz SNGHYMFXKHLNSM-MRXNPFEDSA-N 1 3 300.450 2.902 50 0 DFAAHO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000241439984 426716379 /nfs/dbraw/zinc/71/63/79/426716379.db2.gz NOBONNGYUUDDDU-UHZRXMQZSA-N 1 3 314.473 2.648 50 0 DFAAHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000253425760 427208764 /nfs/dbraw/zinc/20/87/64/427208764.db2.gz HDTUJELYLUPJEM-VQIMIIECSA-N 1 3 319.468 2.592 50 0 DFAAHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000253425760 427208767 /nfs/dbraw/zinc/20/87/67/427208767.db2.gz HDTUJELYLUPJEM-VQIMIIECSA-N 1 3 319.468 2.592 50 0 DFAAHO c1cn2c(n1)CC[C@@H](C[NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000328631905 231266019 /nfs/dbraw/zinc/26/60/19/231266019.db2.gz KXRXPVSPFOZWSQ-INIZCTEOSA-N 1 3 316.493 2.832 50 0 DFAAHO CN1CCC([NH2+]C[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893239 398428264 /nfs/dbraw/zinc/42/82/64/398428264.db2.gz VRABMQAIBQVHLC-GOSISDBHSA-N 1 3 305.441 2.646 50 0 DFAAHO C[NH+]1CCC(NC[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893239 398428267 /nfs/dbraw/zinc/42/82/67/398428267.db2.gz VRABMQAIBQVHLC-GOSISDBHSA-N 1 3 305.441 2.646 50 0 DFAAHO CN(Cc1cnn(C)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072439893 191167616 /nfs/dbraw/zinc/16/76/16/191167616.db2.gz CERSNDOGDVLHQI-UHFFFAOYSA-N 1 3 312.461 2.764 50 0 DFAAHO Cc1c(C)n(-c2ccncc2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000005345144 181232253 /nfs/dbraw/zinc/23/22/53/181232253.db2.gz DBBNZYSYWRSOTE-UHFFFAOYSA-N 1 3 324.432 2.796 50 0 DFAAHO C[NH+]1CCC(C)(CN(C/C=C/c2ccccc2)CCO)CC1 ZINC000063857112 184289854 /nfs/dbraw/zinc/28/98/54/184289854.db2.gz BZVONPAEMGKFDT-RMKNXTFCSA-N 1 3 302.462 2.726 50 0 DFAAHO CC(C)(N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426727291 257243545 /nfs/dbraw/zinc/24/35/45/257243545.db2.gz ASKBBAKAPSPDFH-IBGZPJMESA-N 1 3 321.509 2.619 50 0 DFAAHO CC(C)(N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426727291 257243546 /nfs/dbraw/zinc/24/35/46/257243546.db2.gz ASKBBAKAPSPDFH-IBGZPJMESA-N 1 3 321.509 2.619 50 0 DFAAHO CCCN1CCC([NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000011705850 425712753 /nfs/dbraw/zinc/71/27/53/425712753.db2.gz CVPVPXGBWKCCTP-KRWDZBQOSA-N 1 3 321.509 2.774 50 0 DFAAHO CCN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745050 425877040 /nfs/dbraw/zinc/87/70/40/425877040.db2.gz MWBPIGPQPMLRDN-AWEZNQCLSA-N 1 3 314.433 2.517 50 0 DFAAHO Cc1ccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)s1 ZINC000077408351 426131394 /nfs/dbraw/zinc/13/13/94/426131394.db2.gz ATVWRXCUEAIRGK-MRXNPFEDSA-N 1 3 321.534 2.904 50 0 DFAAHO Cc1ccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)s1 ZINC000077408352 426132062 /nfs/dbraw/zinc/13/20/62/426132062.db2.gz ATVWRXCUEAIRGK-INIZCTEOSA-N 1 3 321.534 2.904 50 0 DFAAHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000089314322 426285815 /nfs/dbraw/zinc/28/58/15/426285815.db2.gz ONIDLISIKWGMSR-INIZCTEOSA-N 1 3 307.507 2.741 50 0 DFAAHO CN1CCC(N2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000244874283 426728942 /nfs/dbraw/zinc/72/89/42/426728942.db2.gz WYGYCTLJQPBISB-OALUTQOASA-N 1 3 305.510 2.810 50 0 DFAAHO CN1CCC(N2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000244874283 426728946 /nfs/dbraw/zinc/72/89/46/426728946.db2.gz WYGYCTLJQPBISB-OALUTQOASA-N 1 3 305.510 2.810 50 0 DFAAHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000095427030 185361880 /nfs/dbraw/zinc/36/18/80/185361880.db2.gz PLNSNPQJCHXZRR-DLBZAZTESA-N 1 3 320.458 2.656 50 0 DFAAHO Cc1nccn1C[C@@H](C)[NH2+]CCCc1nc2ccc(F)cc2[nH]1 ZINC000584902243 398430863 /nfs/dbraw/zinc/43/08/63/398430863.db2.gz LAUYJROUAURUKV-GFCCVEGCSA-N 1 3 315.396 2.818 50 0 DFAAHO Cc1ccc(SCCC[N@@H+](C)C[C@]2(O)CCCNC2)cc1 ZINC000072470286 191176020 /nfs/dbraw/zinc/17/60/20/191176020.db2.gz PTNUWEOOIFSFLX-KRWDZBQOSA-N 1 3 308.491 2.524 50 0 DFAAHO Cc1ccc(SCCC[N@H+](C)C[C@]2(O)CCCNC2)cc1 ZINC000072470286 191176022 /nfs/dbraw/zinc/17/60/22/191176022.db2.gz PTNUWEOOIFSFLX-KRWDZBQOSA-N 1 3 308.491 2.524 50 0 DFAAHO C[C@@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCCC1 ZINC000072478520 191179450 /nfs/dbraw/zinc/17/94/50/191179450.db2.gz CYMFJKPEWRYRJW-HNNXBMFYSA-N 1 3 316.493 2.994 50 0 DFAAHO CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000006834848 181397548 /nfs/dbraw/zinc/39/75/48/181397548.db2.gz VKSVGJLUHRQJME-QGZVFWFLSA-N 1 3 320.477 2.624 50 0 DFAAHO Cc1cc(C)cc(N2CCC([NH2+]C[C@H]3CCCNC3)CC2)c1 ZINC000426573144 257246143 /nfs/dbraw/zinc/24/61/43/257246143.db2.gz NBPCHNHFOCIWHT-KRWDZBQOSA-N 1 3 301.478 2.861 50 0 DFAAHO Cc1c[nH+]ccc1N1CCN([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670440466 544040160 /nfs/dbraw/zinc/04/01/60/544040160.db2.gz XWJDTUIHDDQECM-IBGZPJMESA-N 1 3 322.456 2.791 50 0 DFAAHO CN1CCC[C@@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562051 425911327 /nfs/dbraw/zinc/91/13/27/425911327.db2.gz MQDONIGXKAGVCF-MRXNPFEDSA-N 1 3 302.397 2.790 50 0 DFAAHO C[C@@H](O)C[NH+]1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000069349889 425935040 /nfs/dbraw/zinc/93/50/40/425935040.db2.gz KAEYOXZNJCPXET-GFCCVEGCSA-N 1 3 314.832 2.662 50 0 DFAAHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000069571303 425947829 /nfs/dbraw/zinc/94/78/29/425947829.db2.gz NZAMUIFMWOXFQO-UHFFFAOYSA-N 1 3 321.509 2.633 50 0 DFAAHO COC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000089761801 426307227 /nfs/dbraw/zinc/30/72/27/426307227.db2.gz MSCHUTPFAWEWRC-UHFFFAOYSA-N 1 3 319.493 2.732 50 0 DFAAHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 ZINC000096491280 426435863 /nfs/dbraw/zinc/43/58/63/426435863.db2.gz IDXPHEUFTGJFRC-ZBFHGGJFSA-N 1 3 317.433 2.778 50 0 DFAAHO C[C@@H]([NH3+])C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000097162637 426456317 /nfs/dbraw/zinc/45/63/17/426456317.db2.gz DTKUHUSVQVMBAW-CQSZACIVSA-N 1 3 305.441 2.985 50 0 DFAAHO C[NH+]1CCC(Oc2ccc(CNCc3cccnc3)cc2)CC1 ZINC000284019970 427119082 /nfs/dbraw/zinc/11/90/82/427119082.db2.gz NOGZVLSWUWSUOD-UHFFFAOYSA-N 1 3 311.429 2.844 50 0 DFAAHO Cc1cc(C)c2[nH]c(CNCC[C@H]3CCC[N@H+]3C)cc(=O)c2c1 ZINC000091782486 193107079 /nfs/dbraw/zinc/10/70/79/193107079.db2.gz KKLCHODRTNBCIQ-MRXNPFEDSA-N 1 3 313.445 2.719 50 0 DFAAHO Cc1cc(C)c2[nH]c(CNCC[C@H]3CCC[N@@H+]3C)cc(=O)c2c1 ZINC000091782486 193107081 /nfs/dbraw/zinc/10/70/81/193107081.db2.gz KKLCHODRTNBCIQ-MRXNPFEDSA-N 1 3 313.445 2.719 50 0 DFAAHO Cc1cc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374234 182358130 /nfs/dbraw/zinc/35/81/30/182358130.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 1 3 307.482 2.744 50 0 DFAAHO Cc1cc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)oc1C ZINC000023374234 182358131 /nfs/dbraw/zinc/35/81/31/182358131.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 1 3 307.482 2.744 50 0 DFAAHO Cc1cc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)oc1C ZINC000023374234 182358133 /nfs/dbraw/zinc/35/81/33/182358133.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 1 3 307.482 2.744 50 0 DFAAHO c1sc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1CN1CCCCC1 ZINC000426517678 257247548 /nfs/dbraw/zinc/24/75/48/257247548.db2.gz VDTZUTLUWLYORV-DOTOQJQBSA-N 1 3 305.491 2.528 50 0 DFAAHO Cc1ccc(CN2CCC(C[N@@H+](C)C3CCOCC3)CC2)o1 ZINC000012075382 425718806 /nfs/dbraw/zinc/71/88/06/425718806.db2.gz SIYIEHKMXYOVHX-UHFFFAOYSA-N 1 3 306.450 2.911 50 0 DFAAHO Cc1ccc(CN2CCC(C[N@H+](C)C3CCOCC3)CC2)o1 ZINC000012075382 425718809 /nfs/dbraw/zinc/71/88/09/425718809.db2.gz SIYIEHKMXYOVHX-UHFFFAOYSA-N 1 3 306.450 2.911 50 0 DFAAHO O[C@@H](C[NH+]1CCC(CNCc2ccco2)CC1)c1ccccc1 ZINC000069490771 425942699 /nfs/dbraw/zinc/94/26/99/425942699.db2.gz SNKGLOWXHAFVRP-IBGZPJMESA-N 1 3 314.429 2.815 50 0 DFAAHO C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000097229002 426459814 /nfs/dbraw/zinc/45/98/14/426459814.db2.gz GUKIXORTYCIUMN-PKOBYXMFSA-N 1 3 301.478 2.582 50 0 DFAAHO OCC1(C[NH+]2CCCC2)CCN(C/C=C/c2ccccc2)CC1 ZINC000219746835 426573765 /nfs/dbraw/zinc/57/37/65/426573765.db2.gz IANCCJQOXPKDFM-RMKNXTFCSA-N 1 3 314.473 2.870 50 0 DFAAHO CCc1ccc(CNCC(C)(C)N2CCC([NH+](C)C)CC2)o1 ZINC000095415471 185358799 /nfs/dbraw/zinc/35/87/99/185358799.db2.gz JMEHKUSBFINIST-UHFFFAOYSA-N 1 3 307.482 2.736 50 0 DFAAHO CN1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078480 182308379 /nfs/dbraw/zinc/30/83/79/182308379.db2.gz WYGYCTLJQPBISB-MOPGFXCFSA-N 1 3 305.510 2.810 50 0 DFAAHO CN1CCC(N2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078480 182308381 /nfs/dbraw/zinc/30/83/81/182308381.db2.gz WYGYCTLJQPBISB-MOPGFXCFSA-N 1 3 305.510 2.810 50 0 DFAAHO O[C@@]1(CNCCCc2ccccc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855837 184289729 /nfs/dbraw/zinc/28/97/29/184289729.db2.gz JXPSLURLVBNSTI-RTBURBONSA-N 1 3 302.462 2.588 50 0 DFAAHO O[C@@]1(CNCCCc2ccccc2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855837 184289731 /nfs/dbraw/zinc/28/97/31/184289731.db2.gz JXPSLURLVBNSTI-RTBURBONSA-N 1 3 302.462 2.588 50 0 DFAAHO Cc1nn(C[C@@H](C)NCc2ccc(C[NH3+])cc2)c(C)c1Cl ZINC000426389964 257252449 /nfs/dbraw/zinc/25/24/49/257252449.db2.gz VXALYVAJUYAVMT-LLVKDONJSA-N 1 3 306.841 2.790 50 0 DFAAHO OCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353209 426367264 /nfs/dbraw/zinc/36/72/64/426367264.db2.gz RPDBGXFTFUETRN-SFHVURJKSA-N 1 3 314.473 2.713 50 0 DFAAHO OCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353209 426367268 /nfs/dbraw/zinc/36/72/68/426367268.db2.gz RPDBGXFTFUETRN-SFHVURJKSA-N 1 3 314.473 2.713 50 0 DFAAHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096439513 426425840 /nfs/dbraw/zinc/42/58/40/426425840.db2.gz QYQJTWSPPULTRS-YOEHRIQHSA-N 1 3 323.506 2.589 50 0 DFAAHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000096439513 426425841 /nfs/dbraw/zinc/42/58/41/426425841.db2.gz QYQJTWSPPULTRS-YOEHRIQHSA-N 1 3 323.506 2.589 50 0 DFAAHO Cc1cc(N2CCN(C[C@H]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000097743156 426473971 /nfs/dbraw/zinc/47/39/71/426473971.db2.gz LEPLFPPLLXOUBG-INIZCTEOSA-N 1 3 303.450 2.717 50 0 DFAAHO C[NH+](C)CCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000242339212 426720330 /nfs/dbraw/zinc/72/03/30/426720330.db2.gz ZFZVVJSAHCTYAH-GOSISDBHSA-N 1 3 315.461 2.604 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000097103143 323208947 /nfs/dbraw/zinc/20/89/47/323208947.db2.gz STQRGHGRXRYHLJ-VQTJNVASSA-N 1 3 315.505 2.940 50 0 DFAAHO c1cn2c(n1)CC[C@H](C[NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000328631906 231266311 /nfs/dbraw/zinc/26/63/11/231266311.db2.gz KXRXPVSPFOZWSQ-MRXNPFEDSA-N 1 3 316.493 2.832 50 0 DFAAHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419077 185359868 /nfs/dbraw/zinc/35/98/68/185359868.db2.gz UCXAVMJGMOOOLO-WMZOPIPTSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCn3ccnc3)CC2)C1 ZINC000095419077 185359869 /nfs/dbraw/zinc/35/98/69/185359869.db2.gz UCXAVMJGMOOOLO-WMZOPIPTSA-N 1 3 304.482 2.906 50 0 DFAAHO CCc1ccc(C[NH+]2CCC(N3CCN(CC)CC3)CC2)cc1 ZINC000019888829 182161138 /nfs/dbraw/zinc/16/11/38/182161138.db2.gz KHIZYERVYHCXCO-UHFFFAOYSA-N 1 3 315.505 2.851 50 0 DFAAHO Cc1cc(C)cc(N2CCC([NH2+]C[C@@H]3CCCNC3)CC2)c1 ZINC000426573146 257245742 /nfs/dbraw/zinc/24/57/42/257245742.db2.gz NBPCHNHFOCIWHT-QGZVFWFLSA-N 1 3 301.478 2.861 50 0 DFAAHO O[C@H](C[NH+]1CCC(CNCc2ccco2)CC1)c1ccccc1 ZINC000069490769 285349808 /nfs/dbraw/zinc/34/98/08/285349808.db2.gz SNKGLOWXHAFVRP-LJQANCHMSA-N 1 3 314.429 2.815 50 0 DFAAHO Cc1nc2ccccc2n1C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262052508 146326933 /nfs/dbraw/zinc/32/69/33/146326933.db2.gz QJXIXKLUFJQZKM-LPHOPBHVSA-N 1 3 312.461 2.809 50 0 DFAAHO C[C@H](O)C[NH+]1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000069349888 425935526 /nfs/dbraw/zinc/93/55/26/425935526.db2.gz KAEYOXZNJCPXET-LBPRGKRZSA-N 1 3 314.832 2.662 50 0 DFAAHO CCOc1c(CNCC2CC[NH2+]CC2)cc(Cl)cc1OC ZINC000010435478 425702002 /nfs/dbraw/zinc/70/20/02/425702002.db2.gz HUSVMZLUZICOIA-UHFFFAOYSA-N 1 3 312.841 2.837 50 0 DFAAHO COc1ccc2[nH]nc(CN3CCC([C@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407432 426132221 /nfs/dbraw/zinc/13/22/21/426132221.db2.gz IVKOUPLAWQXJHP-ZDUSSCGKSA-N 1 3 316.449 2.734 50 0 DFAAHO COc1ccc2n[nH]c(CN3CCC([C@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407432 426132225 /nfs/dbraw/zinc/13/22/25/426132225.db2.gz IVKOUPLAWQXJHP-ZDUSSCGKSA-N 1 3 316.449 2.734 50 0 DFAAHO C[C@H](Cc1ccccc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188037718 186247209 /nfs/dbraw/zinc/24/72/09/186247209.db2.gz ULQKLXBNQFWOSW-CVEARBPZSA-N 1 3 320.452 2.847 50 0 DFAAHO Cc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)o1 ZINC000169783889 399001082 /nfs/dbraw/zinc/00/10/82/399001082.db2.gz CFXFHFXVGZPSEV-MRXNPFEDSA-N 1 3 318.461 2.647 50 0 DFAAHO Cc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@@H]3CO)CC2)o1 ZINC000169783889 399001090 /nfs/dbraw/zinc/00/10/90/399001090.db2.gz CFXFHFXVGZPSEV-MRXNPFEDSA-N 1 3 318.461 2.647 50 0 DFAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000262676381 203378589 /nfs/dbraw/zinc/37/85/89/203378589.db2.gz SAQLQJUSLYCNRT-XYVMCAHJSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000262676381 203378593 /nfs/dbraw/zinc/37/85/93/203378593.db2.gz SAQLQJUSLYCNRT-XYVMCAHJSA-N 1 3 317.477 2.511 50 0 DFAAHO c1cc([C@H]2CCCO2)sc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000426479159 257249732 /nfs/dbraw/zinc/24/97/32/257249732.db2.gz WWHFMFBLAFKHEL-OAHLLOKOSA-N 1 3 322.474 2.554 50 0 DFAAHO CCN1CCC([N@@H+]2CCCN(CC3=CCCCC3)CC2)CC1 ZINC000408521766 257254644 /nfs/dbraw/zinc/25/46/44/257254644.db2.gz FCBOBMHBEIZIOZ-UHFFFAOYSA-N 1 3 305.510 2.979 50 0 DFAAHO CCN1CCC([N@H+]2CCCN(CC3=CCCCC3)CC2)CC1 ZINC000408521766 257254645 /nfs/dbraw/zinc/25/46/45/257254645.db2.gz FCBOBMHBEIZIOZ-UHFFFAOYSA-N 1 3 305.510 2.979 50 0 DFAAHO Cc1cccnc1NCCNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055182815 425892431 /nfs/dbraw/zinc/89/24/31/425892431.db2.gz IPTPTUWZTLGLHT-DLBZAZTESA-N 1 3 302.466 2.656 50 0 DFAAHO Cc1cccnc1NCCNC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055182815 425892432 /nfs/dbraw/zinc/89/24/32/425892432.db2.gz IPTPTUWZTLGLHT-DLBZAZTESA-N 1 3 302.466 2.656 50 0 DFAAHO CC(C)C[NH+]1CCC(NCCc2nc3ccccc3[nH]2)CC1 ZINC000067805180 425913253 /nfs/dbraw/zinc/91/32/53/425913253.db2.gz BRPKKWAGMQZSQS-UHFFFAOYSA-N 1 3 300.450 2.815 50 0 DFAAHO CC(C)CN1CCC([NH2+]CCc2nc3ccccc3[nH]2)CC1 ZINC000067805180 425913254 /nfs/dbraw/zinc/91/32/54/425913254.db2.gz BRPKKWAGMQZSQS-UHFFFAOYSA-N 1 3 300.450 2.815 50 0 DFAAHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000011705845 425711801 /nfs/dbraw/zinc/71/18/01/425711801.db2.gz CVPVPXGBWKCCTP-QGZVFWFLSA-N 1 3 321.509 2.774 50 0 DFAAHO C[C@@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)[NH+](C)C ZINC000077356551 426129077 /nfs/dbraw/zinc/12/90/77/426129077.db2.gz LUOCLSXIBBKZRZ-AWEZNQCLSA-N 1 3 309.523 2.972 50 0 DFAAHO COc1cc(CN(C)CC2CC[NH2+]CC2)c(SC)cc1OC ZINC000178974865 426729543 /nfs/dbraw/zinc/72/95/43/426729543.db2.gz QRBZAEVABFFVQP-UHFFFAOYSA-N 1 3 324.490 2.857 50 0 DFAAHO C[NH+](C)CCCC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000095452472 185369193 /nfs/dbraw/zinc/36/91/93/185369193.db2.gz HTSCLGIFGKWUSO-QFIPXVFZSA-N 1 3 322.518 2.848 50 0 DFAAHO c1ccc(-c2ncc(CN3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000067742547 542460970 /nfs/dbraw/zinc/46/09/70/542460970.db2.gz CTMYFBYUGMURKE-UHFFFAOYSA-N 1 3 308.429 2.719 50 0 DFAAHO C[C@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)[NH+](C)C ZINC000077356554 426128973 /nfs/dbraw/zinc/12/89/73/426128973.db2.gz LUOCLSXIBBKZRZ-CQSZACIVSA-N 1 3 309.523 2.972 50 0 DFAAHO Cc1cccc2c(CN3CCN4CCN(C)C[C@@H]4C3)cccc12 ZINC000215246214 426551384 /nfs/dbraw/zinc/55/13/84/426551384.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 1 3 309.457 2.580 50 0 DFAAHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000225514287 426602599 /nfs/dbraw/zinc/60/25/99/426602599.db2.gz JUOPBAQLZQBKFK-OTWHNJEPSA-N 1 3 305.510 2.691 50 0 DFAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000262676377 203378786 /nfs/dbraw/zinc/37/87/86/203378786.db2.gz SAQLQJUSLYCNRT-LMSBXDPUSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000262676377 203378789 /nfs/dbraw/zinc/37/87/89/203378789.db2.gz SAQLQJUSLYCNRT-LMSBXDPUSA-N 1 3 317.477 2.511 50 0 DFAAHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 ZINC000058231832 184092230 /nfs/dbraw/zinc/09/22/30/184092230.db2.gz USGRYGAYDGZSOJ-QGZVFWFLSA-N 1 3 318.465 2.566 50 0 DFAAHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 ZINC000058231832 184092231 /nfs/dbraw/zinc/09/22/31/184092231.db2.gz USGRYGAYDGZSOJ-QGZVFWFLSA-N 1 3 318.465 2.566 50 0 DFAAHO [NH3+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020283419 425791327 /nfs/dbraw/zinc/79/13/27/425791327.db2.gz VOPRQONKUAZUBX-UHFFFAOYSA-N 1 3 301.356 2.566 50 0 DFAAHO Cc1cn2c(C[NH2+]C[C@H]3CCN(C4CC4)C3)c(C)nc2s1 ZINC000037648908 425848960 /nfs/dbraw/zinc/84/89/60/425848960.db2.gz ICQFINORJRMQLH-CYBMUJFWSA-N 1 3 304.463 2.587 50 0 DFAAHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000044533183 425856864 /nfs/dbraw/zinc/85/68/64/425856864.db2.gz GQOYIJSQURYOLJ-GFCCVEGCSA-N 1 3 312.841 2.789 50 0 DFAAHO Cn1ncc(CN2CCC(C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000072121695 191039830 /nfs/dbraw/zinc/03/98/30/191039830.db2.gz CYYBQHGOBATXHN-UHFFFAOYSA-N 1 3 316.493 2.851 50 0 DFAAHO CCc1nn(C)c(Cl)c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC000072125398 191041727 /nfs/dbraw/zinc/04/17/27/191041727.db2.gz VNFPHQBPLYKXRH-UHFFFAOYSA-N 1 3 310.873 2.602 50 0 DFAAHO CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCCC2)C1 ZINC000092028145 193143673 /nfs/dbraw/zinc/14/36/73/193143673.db2.gz WTMCMAIZXNQRDB-WOJBJXKFSA-N 1 3 316.489 2.775 50 0 DFAAHO CCc1ccccc1C[N@H+]1C[C@H](CO)[C@H](CN2CCCCC2)C1 ZINC000092028145 193143675 /nfs/dbraw/zinc/14/36/75/193143675.db2.gz WTMCMAIZXNQRDB-WOJBJXKFSA-N 1 3 316.489 2.775 50 0 DFAAHO Fc1ccccc1CN1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000019735504 182140437 /nfs/dbraw/zinc/14/04/37/182140437.db2.gz ZWXLBRRULUXMDJ-KRWDZBQOSA-N 1 3 306.425 2.806 50 0 DFAAHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000284423306 218020995 /nfs/dbraw/zinc/02/09/95/218020995.db2.gz RJZIMPGSKZOVTP-WBVHZDCISA-N 1 3 318.461 2.674 50 0 DFAAHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000044533185 425856874 /nfs/dbraw/zinc/85/68/74/425856874.db2.gz GQOYIJSQURYOLJ-LBPRGKRZSA-N 1 3 312.841 2.789 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000107525360 425994075 /nfs/dbraw/zinc/99/40/75/425994075.db2.gz NHSWTTFEGRSKGE-HXUWFJFHSA-N 1 3 315.505 2.625 50 0 DFAAHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375353 426288489 /nfs/dbraw/zinc/28/84/89/426288489.db2.gz JWMWQGYAQKJOQN-SFHVURJKSA-N 1 3 321.509 2.632 50 0 DFAAHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096439514 426425884 /nfs/dbraw/zinc/42/58/84/426425884.db2.gz QYQJTWSPPULTRS-PBHICJAKSA-N 1 3 323.506 2.589 50 0 DFAAHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000096439514 426425887 /nfs/dbraw/zinc/42/58/87/426425887.db2.gz QYQJTWSPPULTRS-PBHICJAKSA-N 1 3 323.506 2.589 50 0 DFAAHO COc1ccc(CN2CCC(OC)CC2)cc1C[NH+]1CCCC1 ZINC000215384828 426554423 /nfs/dbraw/zinc/55/44/23/426554423.db2.gz IVDIDJQKNZAVNW-UHFFFAOYSA-N 1 3 318.461 2.902 50 0 DFAAHO CCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246045220 426793191 /nfs/dbraw/zinc/79/31/91/426793191.db2.gz XOCVICUQYYPUGB-WBVHZDCISA-N 1 3 309.498 2.617 50 0 DFAAHO CCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246045220 426793196 /nfs/dbraw/zinc/79/31/96/426793196.db2.gz XOCVICUQYYPUGB-WBVHZDCISA-N 1 3 309.498 2.617 50 0 DFAAHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000253425757 427207451 /nfs/dbraw/zinc/20/74/51/427207451.db2.gz HDTUJELYLUPJEM-QFBILLFUSA-N 1 3 319.468 2.592 50 0 DFAAHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000253425757 427207454 /nfs/dbraw/zinc/20/74/54/427207454.db2.gz HDTUJELYLUPJEM-QFBILLFUSA-N 1 3 319.468 2.592 50 0 DFAAHO CN1CCC([NH2+]C[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893240 398428116 /nfs/dbraw/zinc/42/81/16/398428116.db2.gz VRABMQAIBQVHLC-SFHVURJKSA-N 1 3 305.441 2.646 50 0 DFAAHO C[NH+]1CCC(NC[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893240 398428119 /nfs/dbraw/zinc/42/81/19/398428119.db2.gz VRABMQAIBQVHLC-SFHVURJKSA-N 1 3 305.441 2.646 50 0 DFAAHO C[C@@]12C[C@@H](CC(C)(C)C1)N(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072151882 191055668 /nfs/dbraw/zinc/05/56/68/191055668.db2.gz MWVXGICRLZBTAL-SJLPKXTDSA-N 1 3 302.466 2.777 50 0 DFAAHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC000060161738 184145211 /nfs/dbraw/zinc/14/52/11/184145211.db2.gz WLALDPZXIJGDFL-QGZVFWFLSA-N 1 3 305.466 2.526 50 0 DFAAHO Cc1cc(F)ccc1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219882831 542878876 /nfs/dbraw/zinc/87/88/76/542878876.db2.gz NNKJKTCRSWFCAB-UHFFFAOYSA-N 1 3 320.452 2.804 50 0 DFAAHO CN1CCC[C@H]1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000000757254 425571221 /nfs/dbraw/zinc/57/12/21/425571221.db2.gz MWRGHCWYMGERLO-FQEVSTJZSA-N 1 3 315.505 2.767 50 0 DFAAHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160169 426455245 /nfs/dbraw/zinc/45/52/45/426455245.db2.gz VEVXPYYBQYABPY-ZDUSSCGKSA-N 1 3 304.463 2.960 50 0 DFAAHO COc1c(C)cc(C)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000216220950 426557883 /nfs/dbraw/zinc/55/78/83/426557883.db2.gz FTGDVLWEQYYWKX-UHFFFAOYSA-N 1 3 320.477 2.855 50 0 DFAAHO CN(Cc1ccc(CC[NH3+])cc1)Cc1ccc2nsnc2c1 ZINC000216432880 426559560 /nfs/dbraw/zinc/55/95/60/426559560.db2.gz STPHZJLABDFLGP-UHFFFAOYSA-N 1 3 312.442 2.825 50 0 DFAAHO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)(C)O1 ZINC000253426018 276142783 /nfs/dbraw/zinc/14/27/83/276142783.db2.gz XKXLZOCNGMHBBN-MRXNPFEDSA-N 1 3 303.450 2.986 50 0 DFAAHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCC1 ZINC000178306235 315990182 /nfs/dbraw/zinc/99/01/82/315990182.db2.gz HQBPPNGTGURMSQ-OAHLLOKOSA-N 1 3 302.462 2.922 50 0 DFAAHO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000095427033 185361875 /nfs/dbraw/zinc/36/18/75/185361875.db2.gz PLNSNPQJCHXZRR-SJORKVTESA-N 1 3 320.458 2.656 50 0 DFAAHO CC[NH+]1CCC(NC[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000006834823 181397880 /nfs/dbraw/zinc/39/78/80/181397880.db2.gz VKSVGJLUHRQJME-KRWDZBQOSA-N 1 3 320.477 2.624 50 0 DFAAHO Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1 ZINC000091365260 193046543 /nfs/dbraw/zinc/04/65/43/193046543.db2.gz WLJZMIXGECUOSY-RTBURBONSA-N 1 3 302.462 2.521 50 0 DFAAHO Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1 ZINC000091365260 193046546 /nfs/dbraw/zinc/04/65/46/193046546.db2.gz WLJZMIXGECUOSY-RTBURBONSA-N 1 3 302.462 2.521 50 0 DFAAHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC000060161733 184144904 /nfs/dbraw/zinc/14/49/04/184144904.db2.gz WLALDPZXIJGDFL-KRWDZBQOSA-N 1 3 305.466 2.526 50 0 DFAAHO C[C@@H](c1cc(F)ccc1F)N(C)CC1CC[NH+](CCO)CC1 ZINC000069628444 184828309 /nfs/dbraw/zinc/82/83/09/184828309.db2.gz ZFKUTTWFQQJXMI-ZDUSSCGKSA-N 1 3 312.404 2.662 50 0 DFAAHO Cc1nc2ccccc2n1C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262052511 146327003 /nfs/dbraw/zinc/32/70/03/146327003.db2.gz QJXIXKLUFJQZKM-VQIMIIECSA-N 1 3 312.461 2.809 50 0 DFAAHO Cc1cc(C)n(C[C@H](C)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000670449765 544041991 /nfs/dbraw/zinc/04/19/91/544041991.db2.gz AOUVMNHIVSPQIE-HNNXBMFYSA-N 1 3 300.450 2.740 50 0 DFAAHO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)n1 ZINC000670449765 544041993 /nfs/dbraw/zinc/04/19/93/544041993.db2.gz AOUVMNHIVSPQIE-HNNXBMFYSA-N 1 3 300.450 2.740 50 0 DFAAHO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000108464618 426017630 /nfs/dbraw/zinc/01/76/30/426017630.db2.gz NOBONNGYUUDDDU-VYJAJWGXSA-N 1 3 314.473 2.648 50 0 DFAAHO OCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353208 426366218 /nfs/dbraw/zinc/36/62/18/426366218.db2.gz RPDBGXFTFUETRN-GOSISDBHSA-N 1 3 314.473 2.713 50 0 DFAAHO OCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353208 426366221 /nfs/dbraw/zinc/36/62/21/426366221.db2.gz RPDBGXFTFUETRN-GOSISDBHSA-N 1 3 314.473 2.713 50 0 DFAAHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 ZINC000096491284 426435361 /nfs/dbraw/zinc/43/53/61/426435361.db2.gz IDXPHEUFTGJFRC-GDBMZVCRSA-N 1 3 317.433 2.778 50 0 DFAAHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160171 426454907 /nfs/dbraw/zinc/45/49/07/426454907.db2.gz RFMDXJAJCBSRIP-AWEZNQCLSA-N 1 3 302.422 2.800 50 0 DFAAHO Cc1ccccc1C1CC([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000253429135 427208133 /nfs/dbraw/zinc/20/81/33/427208133.db2.gz SGZRYITUJAPKKO-UHFFFAOYSA-N 1 3 315.505 2.857 50 0 DFAAHO C[NH+](C)CC[C@H](NC(=O)CN1CCCCCC1)c1ccccc1 ZINC000299765780 427767843 /nfs/dbraw/zinc/76/78/43/427767843.db2.gz ASSFBVQCISCECV-SFHVURJKSA-N 1 3 317.477 2.672 50 0 DFAAHO C[NH+](C)CCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000242339213 273794619 /nfs/dbraw/zinc/79/46/19/273794619.db2.gz ZFZVVJSAHCTYAH-SFHVURJKSA-N 1 3 315.461 2.604 50 0 DFAAHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419820 332169767 /nfs/dbraw/zinc/16/97/67/332169767.db2.gz PCSSIBZRKBXHJJ-SJLPKXTDSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCn3cccn3)CC2)C1 ZINC000095419820 332169768 /nfs/dbraw/zinc/16/97/68/332169768.db2.gz PCSSIBZRKBXHJJ-SJLPKXTDSA-N 1 3 304.482 2.906 50 0 DFAAHO C[C@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCCC1 ZINC000072478521 191179216 /nfs/dbraw/zinc/17/92/16/191179216.db2.gz CYMFJKPEWRYRJW-OAHLLOKOSA-N 1 3 316.493 2.994 50 0 DFAAHO Cc1cc(NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000091474426 193061441 /nfs/dbraw/zinc/06/14/41/193061441.db2.gz UKIUDWJCQLIJMK-MRXNPFEDSA-N 1 3 311.433 2.691 50 0 DFAAHO Cc1cc(NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)n1 ZINC000091474426 193061442 /nfs/dbraw/zinc/06/14/42/193061442.db2.gz UKIUDWJCQLIJMK-MRXNPFEDSA-N 1 3 311.433 2.691 50 0 DFAAHO Fc1ccccc1CN1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000019735505 182140073 /nfs/dbraw/zinc/14/00/73/182140073.db2.gz ZWXLBRRULUXMDJ-QGZVFWFLSA-N 1 3 306.425 2.806 50 0 DFAAHO CN(C)CC(C)(C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000023283521 182356541 /nfs/dbraw/zinc/35/65/41/182356541.db2.gz VPSFLDMAIGDNFC-UHFFFAOYSA-N 1 3 303.494 2.828 50 0 DFAAHO CSc1ccc2cc(C[N@H+](C)CCCN(C)C)c(=O)[nH]c2c1 ZINC000067605002 425911709 /nfs/dbraw/zinc/91/17/09/425911709.db2.gz SLDQJSPYHDPBLD-UHFFFAOYSA-N 1 3 319.474 2.634 50 0 DFAAHO CSc1ccc2cc(C[N@@H+](C)CCCN(C)C)c(=O)[nH]c2c1 ZINC000067605002 425911710 /nfs/dbraw/zinc/91/17/10/425911710.db2.gz SLDQJSPYHDPBLD-UHFFFAOYSA-N 1 3 319.474 2.634 50 0 DFAAHO CN(C)CC(C)(C)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000000221449 425546374 /nfs/dbraw/zinc/54/63/74/425546374.db2.gz SWDYZOSBDCGPIR-UHFFFAOYSA-N 1 3 317.521 2.871 50 0 DFAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715232 425734186 /nfs/dbraw/zinc/73/41/86/425734186.db2.gz IJNUGXOECPBXHV-MRXNPFEDSA-N 1 3 321.509 2.630 50 0 DFAAHO Cc1cn2c(CNCCC3CC[NH+](C)CC3)c(C)nc2s1 ZINC000105454430 425968174 /nfs/dbraw/zinc/96/81/74/425968174.db2.gz VFYYCPRIYFTVIS-UHFFFAOYSA-N 1 3 306.479 2.834 50 0 DFAAHO CC(C)(C)OC(=O)NC1(C[NH3+])CCN(Cc2ccccc2)CC1 ZINC000096102468 426397577 /nfs/dbraw/zinc/39/75/77/426397577.db2.gz QOIZKNIWRBIXPY-UHFFFAOYSA-N 1 3 319.449 2.505 50 0 DFAAHO CC1=CCC[C@@H](C)[C@H]1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000097104768 426449170 /nfs/dbraw/zinc/44/91/70/426449170.db2.gz XRZSXCOXCFAURY-MOPGFXCFSA-N 1 3 305.510 2.692 50 0 DFAAHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000253425755 427209009 /nfs/dbraw/zinc/20/90/09/427209009.db2.gz HDTUJELYLUPJEM-LPHOPBHVSA-N 1 3 319.468 2.592 50 0 DFAAHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000253425755 427209014 /nfs/dbraw/zinc/20/90/14/427209014.db2.gz HDTUJELYLUPJEM-LPHOPBHVSA-N 1 3 319.468 2.592 50 0 DFAAHO Cc1cc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nc(N)n1 ZINC000091817823 193112572 /nfs/dbraw/zinc/11/25/72/193112572.db2.gz IUBODZYYLMRSGN-UHFFFAOYSA-N 1 3 311.433 2.616 50 0 DFAAHO Cc1cc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)nc(N)n1 ZINC000091817823 193112574 /nfs/dbraw/zinc/11/25/74/193112574.db2.gz IUBODZYYLMRSGN-UHFFFAOYSA-N 1 3 311.433 2.616 50 0 DFAAHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NCc1ccccc1 ZINC000066243289 184398594 /nfs/dbraw/zinc/39/85/94/184398594.db2.gz BQPPOUXPSRQGEG-UHFFFAOYSA-N 1 3 322.456 2.749 50 0 DFAAHO Cc1cccc(CN(C[C@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408599 257270865 /nfs/dbraw/zinc/27/08/65/257270865.db2.gz XWCYVEWBDPRFTL-IBGZPJMESA-N 1 3 302.462 2.854 50 0 DFAAHO CN1CCC[C@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562056 425911516 /nfs/dbraw/zinc/91/15/16/425911516.db2.gz MQDONIGXKAGVCF-INIZCTEOSA-N 1 3 302.397 2.790 50 0 DFAAHO CN(Cc1ccc(Cl)s1)CC1CC[NH+](CCO)CC1 ZINC000071871546 425997568 /nfs/dbraw/zinc/99/75/68/425997568.db2.gz DNDPTDDYNIXYBV-UHFFFAOYSA-N 1 3 302.871 2.538 50 0 DFAAHO C[C@H]([NH3+])C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000097162636 426456627 /nfs/dbraw/zinc/45/66/27/426456627.db2.gz DTKUHUSVQVMBAW-AWEZNQCLSA-N 1 3 305.441 2.985 50 0 DFAAHO COCC[N@H+](C)CCCNCc1cccc(Br)c1 ZINC000097287836 426462918 /nfs/dbraw/zinc/46/29/18/426462918.db2.gz LEKATWVVGUWZCQ-UHFFFAOYSA-N 1 3 315.255 2.507 50 0 DFAAHO COCC[N@@H+](C)CCCNCc1cccc(Br)c1 ZINC000097287836 426462921 /nfs/dbraw/zinc/46/29/21/426462921.db2.gz LEKATWVVGUWZCQ-UHFFFAOYSA-N 1 3 315.255 2.507 50 0 DFAAHO CN1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874285 426729475 /nfs/dbraw/zinc/72/94/75/426729475.db2.gz WYGYCTLJQPBISB-RTBURBONSA-N 1 3 305.510 2.810 50 0 DFAAHO CN1CCC(N2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874285 426729478 /nfs/dbraw/zinc/72/94/78/426729478.db2.gz WYGYCTLJQPBISB-RTBURBONSA-N 1 3 305.510 2.810 50 0 DFAAHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000097033333 277051451 /nfs/dbraw/zinc/05/14/51/277051451.db2.gz HDOSKDIKWPTDKM-LJQANCHMSA-N 1 3 319.468 2.820 50 0 DFAAHO