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@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160083326 389380199 /nfs/dbraw/zinc/38/01/99/389380199.db2.gz IVSQNZPDGFLCSF-UONOGXRCSA-N 2 0 285.432 0.536 20 70 CCIDRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000160577646 389393324 /nfs/dbraw/zinc/39/33/24/389393324.db2.gz OGEJNOKRGABVRB-SCRDCRAPSA-N 2 0 251.374 0.729 20 70 CCIDRP CC[C@](C)(O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000161125636 281290441 /nfs/dbraw/zinc/29/04/41/281290441.db2.gz AWOGCDRFPXODRL-AWEZNQCLSA-N 2 0 258.406 0.926 20 70 CCIDRP COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217032459 329316628 /nfs/dbraw/zinc/31/66/28/329316628.db2.gz BVLFUMLRSJENHO-KBPBESRZSA-N 2 0 283.416 0.603 20 70 CCIDRP O=C(NC[C@H]1CCC[N@@H+](CCCF)C1)[C@@H]1CCC[NH2+]1 ZINC000217043671 581714146 /nfs/dbraw/zinc/71/41/46/581714146.db2.gz MKUIDQHWVANWMQ-OLZOCXBDSA-N 2 0 271.380 0.926 20 70 CCIDRP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000159404520 389366664 /nfs/dbraw/zinc/36/66/64/389366664.db2.gz NLZCRGDWOPMRIY-CABCVRRESA-N 2 0 291.395 0.913 20 70 CCIDRP [NH3+]CCCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160144367 350696083 /nfs/dbraw/zinc/69/60/83/350696083.db2.gz VSQQPCYHQAQNSJ-UHFFFAOYSA-N 2 0 290.411 0.664 20 70 CCIDRP O=C(NC[C@@H]1CCC[N@@H+](CCCF)C1)[C@@H]1CCC[NH2+]1 ZINC000217043601 581102460 /nfs/dbraw/zinc/10/24/60/581102460.db2.gz MKUIDQHWVANWMQ-STQMWFEESA-N 2 0 271.380 0.926 20 70 CCIDRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000217055746 351944598 /nfs/dbraw/zinc/94/45/98/351944598.db2.gz RDPOQVATIDNDCJ-UONOGXRCSA-N 2 0 265.401 0.977 20 70 CCIDRP COC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000159874760 292092551 /nfs/dbraw/zinc/09/25/51/292092551.db2.gz UAROBZPCGFOFCW-TXEJJXNPSA-N 2 0 267.373 0.108 20 70 CCIDRP C[NH+]1CCN(Cc2ccc(C(=O)NCCC[NH3+])cc2)CC1 ZINC000160008781 389377076 /nfs/dbraw/zinc/37/70/76/389377076.db2.gz WHFQJDKIFYJRFV-UHFFFAOYSA-N 2 0 290.411 0.513 20 70 CCIDRP C[C@@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000161276081 248992829 /nfs/dbraw/zinc/99/28/29/248992829.db2.gz PLSHNECBOYKQIO-GXTWGEPZSA-N 2 0 253.390 0.882 20 70 CCIDRP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160136301 389381508 /nfs/dbraw/zinc/38/15/08/389381508.db2.gz BHNFZWXLKLMZRX-XQQFMLRXSA-N 2 0 267.373 0.108 20 70 CCIDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@](C)(O)CC)C2)CC1 ZINC000160998586 276201168 /nfs/dbraw/zinc/20/11/68/276201168.db2.gz AYJKHIVQXKUDKQ-GJZGRUSLSA-N 2 0 269.433 0.859 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000161287097 389405269 /nfs/dbraw/zinc/40/52/69/389405269.db2.gz RPBGARLYQSLYPS-CYBMUJFWSA-N 2 0 285.432 0.931 20 70 CCIDRP C[NH+](CCC[N@@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000160883235 544702552 /nfs/dbraw/zinc/70/25/52/544702552.db2.gz NDXSSLNKYRYZAZ-GJZGRUSLSA-N 2 0 270.417 0.782 20 70 CCIDRP C[NH+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000159443961 290724391 /nfs/dbraw/zinc/72/43/91/290724391.db2.gz DYDHAUGKCDRGRP-ZIAGYGMSSA-N 2 0 283.416 0.432 20 70 CCIDRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000159368035 350676616 /nfs/dbraw/zinc/67/66/16/350676616.db2.gz HIOONQNUABBPSK-CQSZACIVSA-N 2 0 285.432 0.931 20 70 CCIDRP c1cn(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000159756121 350687426 /nfs/dbraw/zinc/68/74/26/350687426.db2.gz JWGIGVYRRYAAJZ-UHFFFAOYSA-N 3 0 278.400 0.927 20 70 CCIDRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000160152543 350696363 /nfs/dbraw/zinc/69/63/63/350696363.db2.gz ZDMJGLXMFUQJMG-ZOWXZIJZSA-N 2 0 281.400 0.341 20 70 CCIDRP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000161045479 290733305 /nfs/dbraw/zinc/73/33/05/290733305.db2.gz QCQIVBLXYQTXSY-LBPRGKRZSA-N 2 0 269.389 0.356 20 70 CCIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159516213 389368749 /nfs/dbraw/zinc/36/87/49/389368749.db2.gz PAQOQCDPFIOUEX-STQMWFEESA-N 2 0 253.390 0.929 20 70 CCIDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160392912 389387975 /nfs/dbraw/zinc/38/79/75/389387975.db2.gz LJGGNWLNOJINBH-CYBMUJFWSA-N 2 0 271.405 0.290 20 70 CCIDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)COC3(C)C[NH2+]C3)CC[C@H]21 ZINC000161218012 544706024 /nfs/dbraw/zinc/70/60/24/544706024.db2.gz MNEQJUCEODZQMU-CHWSQXEVSA-N 2 0 281.400 0.308 20 70 CCIDRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000159375646 279782433 /nfs/dbraw/zinc/78/24/33/279782433.db2.gz IOZLFIYABAEZJM-XQQFMLRXSA-N 2 0 253.390 0.926 20 70 CCIDRP C[NH+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000159443827 290724264 /nfs/dbraw/zinc/72/42/64/290724264.db2.gz DYDHAUGKCDRGRP-KBPBESRZSA-N 2 0 283.416 0.432 20 70 CCIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000160207571 350697057 /nfs/dbraw/zinc/69/70/57/350697057.db2.gz HSGHMXIFCIEIBA-CABCVRRESA-N 2 0 289.379 0.447 20 70 CCIDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)COC3(C)C[NH2+]C3)CC[C@@H]21 ZINC000161218138 544706178 /nfs/dbraw/zinc/70/61/78/544706178.db2.gz MNEQJUCEODZQMU-OLZOCXBDSA-N 2 0 281.400 0.308 20 70 CCIDRP [NH3+]CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC000160581247 527162570 /nfs/dbraw/zinc/16/25/70/527162570.db2.gz UPNDYKXBRXDNOW-TXEJJXNPSA-N 2 0 251.374 0.858 20 70 CCIDRP COC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159486661 350680120 /nfs/dbraw/zinc/68/01/20/350680120.db2.gz WHBBKVXWZFZSDE-HUUCEWRRSA-N 2 0 291.395 0.741 20 70 CCIDRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000217055780 351944991 /nfs/dbraw/zinc/94/49/91/351944991.db2.gz RDPOQVATIDNDCJ-KBPBESRZSA-N 2 0 265.401 0.977 20 70 CCIDRP CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160078225 389378856 /nfs/dbraw/zinc/37/88/56/389378856.db2.gz JKOWDESHLNWYPY-QWHCGFSZSA-N 2 0 271.405 0.290 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000161148511 519914464 /nfs/dbraw/zinc/91/44/64/519914464.db2.gz PDGFDHIQXXPOFI-CYBMUJFWSA-N 2 0 257.353 0.536 20 70 CCIDRP O=C(NC[C@@H]1CCC[N@@H+](CCCF)C1)[C@H]1CCC[NH2+]1 ZINC000217043571 581144604 /nfs/dbraw/zinc/14/46/04/581144604.db2.gz MKUIDQHWVANWMQ-QWHCGFSZSA-N 2 0 271.380 0.926 20 70 CCIDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000161256021 350717049 /nfs/dbraw/zinc/71/70/49/350717049.db2.gz XLGLCLUKCPOFAP-NSHDSACASA-N 2 0 283.338 0.479 20 70 CCIDRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161203442 544704044 /nfs/dbraw/zinc/70/40/44/544704044.db2.gz HSJZNZLLNCPIBS-QWHCGFSZSA-N 2 0 268.405 0.010 20 70 CCIDRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC[NH2+]1 ZINC000159610634 350683055 /nfs/dbraw/zinc/68/30/55/350683055.db2.gz FVQHGPMVDXXUHU-MBNYWOFBSA-N 2 0 251.374 0.872 20 70 CCIDRP CCC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[NH+](C)C ZINC000160007730 350694160 /nfs/dbraw/zinc/69/41/60/350694160.db2.gz AMUMSLGKGJTHPH-CQSZACIVSA-N 2 0 285.432 0.537 20 70 CCIDRP COCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000218158500 351954944 /nfs/dbraw/zinc/95/49/44/351954944.db2.gz RZXKYKPZXXBLAK-GZBFAFLISA-N 2 0 297.443 0.942 20 70 CCIDRP CC[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160462142 284338498 /nfs/dbraw/zinc/33/84/98/284338498.db2.gz VOYKAPHHOZWZPH-TYNCELHUSA-N 2 0 283.416 0.587 20 70 CCIDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000161438891 389406138 /nfs/dbraw/zinc/40/61/38/389406138.db2.gz QORVDNWQXUTDLX-ZDUSSCGKSA-N 2 0 280.416 0.960 20 70 CCIDRP CC(C)CN(CC[NH+](C)C)C(=O)COC1(C)C[NH2+]C1 ZINC000161128665 544702819 /nfs/dbraw/zinc/70/28/19/544702819.db2.gz DONCBEZYPCYIKF-UHFFFAOYSA-N 2 0 271.405 0.411 20 70 CCIDRP CNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000217604816 351949084 /nfs/dbraw/zinc/94/90/84/351949084.db2.gz JDWHAFXLTNBCFT-GZBFAFLISA-N 2 0 296.459 0.515 20 70 CCIDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160392795 389387351 /nfs/dbraw/zinc/38/73/51/389387351.db2.gz LJGGNWLNOJINBH-ZDUSSCGKSA-N 2 0 271.405 0.290 20 70 CCIDRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000160577771 389393200 /nfs/dbraw/zinc/39/32/00/389393200.db2.gz OGEJNOKRGABVRB-MBNYWOFBSA-N 2 0 251.374 0.729 20 70 CCIDRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159486545 350680132 /nfs/dbraw/zinc/68/01/32/350680132.db2.gz WHBBKVXWZFZSDE-CABCVRRESA-N 2 0 291.395 0.741 20 70 CCIDRP CC(C)([NH3+])CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000159944762 350692252 /nfs/dbraw/zinc/69/22/52/350692252.db2.gz KBOCLLYMOJHXTB-UHFFFAOYSA-N 2 0 283.416 0.875 20 70 CCIDRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000217055847 351945334 /nfs/dbraw/zinc/94/53/34/351945334.db2.gz RDPOQVATIDNDCJ-KGLIPLIRSA-N 2 0 265.401 0.977 20 70 CCIDRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217831898 351951580 /nfs/dbraw/zinc/95/15/80/351951580.db2.gz RVUSNQMZRZBQAX-RBSFLKMASA-N 2 0 289.379 0.100 20 70 CCIDRP CC[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000160578665 523536812 /nfs/dbraw/zinc/53/68/12/523536812.db2.gz VWJNQQMMHUPGBB-MBNYWOFBSA-N 2 0 251.374 0.872 20 70 CCIDRP C[NH+](C)C1(CNC(=O)C2(C[NH3+])CCOCC2)CCCC1 ZINC000160801998 289043792 /nfs/dbraw/zinc/04/37/92/289043792.db2.gz CVSJRWSOYQIXHL-UHFFFAOYSA-N 2 0 283.416 0.733 20 70 CCIDRP CC[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000160578766 523692186 /nfs/dbraw/zinc/69/21/86/523692186.db2.gz VWJNQQMMHUPGBB-SCRDCRAPSA-N 2 0 251.374 0.872 20 70 CCIDRP O=C(NC[C@H]1CCC[N@@H+](CCCF)C1)[C@H]1CCC[NH2+]1 ZINC000217043639 581102452 /nfs/dbraw/zinc/10/24/52/581102452.db2.gz MKUIDQHWVANWMQ-CHWSQXEVSA-N 2 0 271.380 0.926 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000161148384 350713759 /nfs/dbraw/zinc/71/37/59/350713759.db2.gz PDGFDHIQXXPOFI-ZDUSSCGKSA-N 2 0 257.353 0.536 20 70 CCIDRP C[NH+](C)CC(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160550413 389392385 /nfs/dbraw/zinc/39/23/85/389392385.db2.gz JHZSNYFNABBMMA-UHFFFAOYSA-N 2 0 296.459 0.568 20 70 CCIDRP C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000160621821 544699186 /nfs/dbraw/zinc/69/91/86/544699186.db2.gz PDMPMXQUGWLTEN-SECBINFHSA-N 2 0 281.322 0.985 20 70 CCIDRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000159375750 280167006 /nfs/dbraw/zinc/16/70/06/280167006.db2.gz IOZLFIYABAEZJM-FRRDWIJNSA-N 2 0 253.390 0.926 20 70 CCIDRP CC[N@@H+]1CCCN(C(=O)NCC[NH+](C)CCOC)CC1 ZINC000159804956 350689334 /nfs/dbraw/zinc/68/93/34/350689334.db2.gz XEKGWPUOCOEIQD-UHFFFAOYSA-N 2 0 286.420 0.302 20 70 CCIDRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161371671 523896041 /nfs/dbraw/zinc/89/60/41/523896041.db2.gz KHUBQVMHPLJLOE-FKJOKYEKSA-N 2 0 251.374 0.727 20 70 CCIDRP C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000160417211 350701294 /nfs/dbraw/zinc/70/12/94/350701294.db2.gz AECQAFGAHSYCKL-BETUJISGSA-N 2 0 251.374 0.681 20 70 CCIDRP C[NH+](C)C(C)(C)CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000160311364 350698597 /nfs/dbraw/zinc/69/85/97/350698597.db2.gz RJFHNXLSRIPPCK-NSHDSACASA-N 2 0 273.446 0.880 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000161300267 350717706 /nfs/dbraw/zinc/71/77/06/350717706.db2.gz GNXXQVNUJMDINC-UHFFFAOYSA-N 2 0 298.475 0.894 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000161293763 188519982 /nfs/dbraw/zinc/51/99/82/188519982.db2.gz DDJNVVMSMQZWNH-UHFFFAOYSA-N 2 0 285.432 0.979 20 70 CCIDRP COC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000159404808 285225525 /nfs/dbraw/zinc/22/55/25/285225525.db2.gz NLZCRGDWOPMRIY-HUUCEWRRSA-N 2 0 291.395 0.913 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000161105390 389404241 /nfs/dbraw/zinc/40/42/41/389404241.db2.gz XKLCDKLUSHKRBO-UHFFFAOYSA-N 2 0 296.459 0.472 20 70 CCIDRP COC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000159404406 285384704 /nfs/dbraw/zinc/38/47/04/285384704.db2.gz NLZCRGDWOPMRIY-GJZGRUSLSA-N 2 0 291.395 0.913 20 70 CCIDRP CC(C)[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000161110954 544703267 /nfs/dbraw/zinc/70/32/67/544703267.db2.gz JEOKLJTVDLSGIN-UHFFFAOYSA-N 2 0 269.389 0.354 20 70 CCIDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000161438738 523820917 /nfs/dbraw/zinc/82/09/17/523820917.db2.gz QORVDNWQXUTDLX-CYBMUJFWSA-N 2 0 280.416 0.960 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000161130733 350712792 /nfs/dbraw/zinc/71/27/92/350712792.db2.gz NVWFQXYMHGGPFU-UHFFFAOYSA-N 2 0 257.378 0.071 20 70 CCIDRP C[NH+]1CCC(CCNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000159574064 350682106 /nfs/dbraw/zinc/68/21/06/350682106.db2.gz ARERKLJSZASFGY-UHFFFAOYSA-N 2 0 269.389 0.342 20 70 CCIDRP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161203636 544703836 /nfs/dbraw/zinc/70/38/36/544703836.db2.gz HSJZNZLLNCPIBS-CHWSQXEVSA-N 2 0 268.405 0.010 20 70 CCIDRP COCC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161322994 523853254 /nfs/dbraw/zinc/85/32/54/523853254.db2.gz RTLFXPVPOKTWOL-AWEZNQCLSA-N 2 0 255.406 0.735 20 70 CCIDRP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000160862936 350708477 /nfs/dbraw/zinc/70/84/77/350708477.db2.gz BLJYFESFOBEWIC-STQMWFEESA-N 2 0 298.431 0.030 20 70 CCIDRP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000160863028 350708318 /nfs/dbraw/zinc/70/83/18/350708318.db2.gz BLJYFESFOBEWIC-QWHCGFSZSA-N 2 0 298.431 0.030 20 70 CCIDRP CCc1nnc(CN(C)CC[N@H+](C)C2CCN(C)CC2)[nH]1 ZINC000159602230 350682617 /nfs/dbraw/zinc/68/26/17/350682617.db2.gz OWQDABCNOQATHH-UHFFFAOYSA-N 2 0 294.447 0.825 20 70 CCIDRP CSCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159613914 295604477 /nfs/dbraw/zinc/60/44/77/295604477.db2.gz KDJKQGOCKHYRCU-AXFHLTTASA-N 2 0 257.403 0.420 20 70 CCIDRP CC(C)N(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000216934971 389133999 /nfs/dbraw/zinc/13/39/99/389133999.db2.gz DHCLPXWRKPSBDU-AWEZNQCLSA-N 2 0 299.459 0.878 20 70 CCIDRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161203543 544703947 /nfs/dbraw/zinc/70/39/47/544703947.db2.gz HSJZNZLLNCPIBS-STQMWFEESA-N 2 0 268.405 0.010 20 70 CCIDRP CCC[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)[NH+](C)C ZINC000160007605 290727844 /nfs/dbraw/zinc/72/78/44/290727844.db2.gz AMUMSLGKGJTHPH-AWEZNQCLSA-N 2 0 285.432 0.537 20 70 CCIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC1 ZINC000159758225 350686862 /nfs/dbraw/zinc/68/68/62/350686862.db2.gz HDEVHKSBPBZOGV-ZDUSSCGKSA-N 2 0 268.405 0.818 20 70 CCIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000160207716 350696969 /nfs/dbraw/zinc/69/69/69/350696969.db2.gz HSGHMXIFCIEIBA-HUUCEWRRSA-N 2 0 289.379 0.447 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000161286540 350717438 /nfs/dbraw/zinc/71/74/38/350717438.db2.gz ZHQSHZJOTFUSFU-CHWSQXEVSA-N 2 0 285.432 0.665 20 70 CCIDRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217831761 351951621 /nfs/dbraw/zinc/95/16/21/351951621.db2.gz RVUSNQMZRZBQAX-KFWWJZLASA-N 2 0 289.379 0.100 20 70 CCIDRP C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000160621682 544699480 /nfs/dbraw/zinc/69/94/80/544699480.db2.gz PDMPMXQUGWLTEN-VIFPVBQESA-N 2 0 281.322 0.985 20 70 CCIDRP CC(C)[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160462711 279359439 /nfs/dbraw/zinc/35/94/39/279359439.db2.gz OKDRTIIQEAOBDO-DVOMOZLQSA-N 2 0 297.443 0.975 20 70 CCIDRP CC(C)(O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217039957 351943663 /nfs/dbraw/zinc/94/36/63/351943663.db2.gz HRLWNYSBJKJWQT-OLZOCXBDSA-N 2 0 283.416 0.338 20 70 CCIDRP CC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160078518 389379150 /nfs/dbraw/zinc/37/91/50/389379150.db2.gz JKOWDESHLNWYPY-CHWSQXEVSA-N 2 0 271.405 0.290 20 70 CCIDRP O=C([C@@H]1CC12CC[NH2+]CC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160578173 280078610 /nfs/dbraw/zinc/07/86/10/280078610.db2.gz HPVBMYIHGPJULF-XQQFMLRXSA-N 2 0 263.385 0.729 20 70 CCIDRP CC[NH+](CC)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159977962 350692904 /nfs/dbraw/zinc/69/29/04/350692904.db2.gz ZGRSNUKMFLFVPS-DVOMOZLQSA-N 2 0 297.443 0.977 20 70 CCIDRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000161276323 389405428 /nfs/dbraw/zinc/40/54/28/389405428.db2.gz PLSHNECBOYKQIO-TZMCWYRMSA-N 2 0 253.390 0.882 20 70 CCIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160212134 389383686 /nfs/dbraw/zinc/38/36/86/389383686.db2.gz CWVYRCVNNBALLS-HOCLYGCPSA-N 3 0 282.476 0.942 20 70 CCIDRP CN(CC1CC[NH+](C)CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000161173176 544704098 /nfs/dbraw/zinc/70/40/98/544704098.db2.gz KFPYXHIHJCAOJM-UHFFFAOYSA-N 2 0 269.389 0.165 20 70 CCIDRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160395184 298415821 /nfs/dbraw/zinc/41/58/21/298415821.db2.gz UJOVYQADYKPWDD-NFFDBFGFSA-N 2 0 297.443 0.975 20 70 CCIDRP CCC([NH3+])(CC)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000160526839 521649436 /nfs/dbraw/zinc/64/94/36/521649436.db2.gz LNBRYBPJIPFUFJ-UHFFFAOYSA-N 2 0 257.378 0.389 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000161124427 350713246 /nfs/dbraw/zinc/71/32/46/350713246.db2.gz LFLMVYBZBBOCFO-ZDUSSCGKSA-N 2 0 253.390 0.977 20 70 CCIDRP C[NH+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000159443718 350678438 /nfs/dbraw/zinc/67/84/38/350678438.db2.gz DYDHAUGKCDRGRP-KGLIPLIRSA-N 2 0 283.416 0.432 20 70 CCIDRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159486783 350679375 /nfs/dbraw/zinc/67/93/75/350679375.db2.gz WHBBKVXWZFZSDE-GJZGRUSLSA-N 2 0 291.395 0.741 20 70 CCIDRP COC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159486911 350680112 /nfs/dbraw/zinc/68/01/12/350680112.db2.gz WHBBKVXWZFZSDE-LSDHHAIUSA-N 2 0 291.395 0.741 20 70 CCIDRP C[NH2+]CC1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159863072 350689991 /nfs/dbraw/zinc/68/99/91/350689991.db2.gz HOHNTUGTUYXFEL-VIFPVBQESA-N 2 0 281.322 0.985 20 70 CCIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160211990 288076237 /nfs/dbraw/zinc/07/62/37/288076237.db2.gz CWVYRCVNNBALLS-ZBFHGGJFSA-N 3 0 282.476 0.942 20 70 CCIDRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161504461 523843028 /nfs/dbraw/zinc/84/30/28/523843028.db2.gz UFXFDWPHIPTGMN-DAAZQVBGSA-N 2 0 283.441 0.823 20 70 CCIDRP C[C@@H](C(=O)NCCC[NH3+])N1CCc2ccccc2C1 ZINC000160083916 389380301 /nfs/dbraw/zinc/38/03/01/389380301.db2.gz IOXISEJRCPMLLY-LBPRGKRZSA-N 2 0 261.369 0.898 20 70 CCIDRP CC[NH+](CC)CCSCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160571366 389393224 /nfs/dbraw/zinc/39/32/24/389393224.db2.gz BJQJDLOXVYHFLK-LBPRGKRZSA-N 2 0 273.446 0.882 20 70 CCIDRP C[NH+](C)CCN(C(=O)COC1(C)C[NH2+]C1)C1CCCC1 ZINC000161128538 544702770 /nfs/dbraw/zinc/70/27/70/544702770.db2.gz GTEPJQUDJRBBTH-UHFFFAOYSA-N 2 0 283.416 0.698 20 70 CCIDRP CNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000217604976 351949187 /nfs/dbraw/zinc/94/91/87/351949187.db2.gz JDWHAFXLTNBCFT-KCQAQPDRSA-N 2 0 296.459 0.515 20 70 CCIDRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000217831811 351951615 /nfs/dbraw/zinc/95/16/15/351951615.db2.gz RVUSNQMZRZBQAX-QLFBSQMISA-N 2 0 289.379 0.100 20 70 CCIDRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160485963 389391051 /nfs/dbraw/zinc/39/10/51/389391051.db2.gz BYQUZWYRCZBODE-GFCCVEGCSA-N 2 0 298.431 0.030 20 70 CCIDRP CCN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000161193245 544704316 /nfs/dbraw/zinc/70/43/16/544704316.db2.gz QHMHHRQZYFYEFG-TUAOUCFPSA-N 2 0 255.362 0.093 20 70 CCIDRP O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159902132 350691346 /nfs/dbraw/zinc/69/13/46/350691346.db2.gz UNOGJKHTFAVJTQ-GRYCIOLGSA-N 2 0 269.414 0.434 20 70 CCIDRP C[NH2+]CC1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159863195 350690019 /nfs/dbraw/zinc/69/00/19/350690019.db2.gz HOHNTUGTUYXFEL-SECBINFHSA-N 2 0 281.322 0.985 20 70 CCIDRP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160571496 389393490 /nfs/dbraw/zinc/39/34/90/389393490.db2.gz BJQJDLOXVYHFLK-GFCCVEGCSA-N 2 0 273.446 0.882 20 70 CCIDRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000160152807 350695886 /nfs/dbraw/zinc/69/58/86/350695886.db2.gz ZDMJGLXMFUQJMG-JMSVASOKSA-N 2 0 281.400 0.341 20 70 CCIDRP C[C@H](CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000161045631 350710719 /nfs/dbraw/zinc/71/07/19/350710719.db2.gz QCQIVBLXYQTXSY-GFCCVEGCSA-N 2 0 269.389 0.356 20 70 CCIDRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159871660 350691388 /nfs/dbraw/zinc/69/13/88/350691388.db2.gz SCZVJUIKCQTSTL-ZNMIVQPWSA-N 2 0 273.380 0.909 20 70 CCIDRP C[N@@H+]1CCC[C@H]2CN(C(=O)COC3(C)C[NH2+]C3)CC[C@@H]21 ZINC000161218349 544705523 /nfs/dbraw/zinc/70/55/23/544705523.db2.gz MNEQJUCEODZQMU-STQMWFEESA-N 2 0 281.400 0.308 20 70 CCIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000159758344 350687399 /nfs/dbraw/zinc/68/73/99/350687399.db2.gz HDEVHKSBPBZOGV-CYBMUJFWSA-N 2 0 268.405 0.818 20 70 CCIDRP CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160078113 389378752 /nfs/dbraw/zinc/37/87/52/389378752.db2.gz JKOWDESHLNWYPY-STQMWFEESA-N 2 0 271.405 0.290 20 70 CCIDRP C[NH+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000159444115 290724540 /nfs/dbraw/zinc/72/45/40/290724540.db2.gz DYDHAUGKCDRGRP-UONOGXRCSA-N 2 0 283.416 0.432 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000161286673 350717931 /nfs/dbraw/zinc/71/79/31/350717931.db2.gz ZHQSHZJOTFUSFU-QWHCGFSZSA-N 2 0 285.432 0.665 20 70 CCIDRP CC[NH+](CC)CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159585991 350683168 /nfs/dbraw/zinc/68/31/68/350683168.db2.gz AWDYMPPGLOFTRH-GFCCVEGCSA-N 2 0 273.446 0.882 20 70 CCIDRP CC[NH+](CC)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000159978245 350692874 /nfs/dbraw/zinc/69/28/74/350692874.db2.gz ZGRSNUKMFLFVPS-HEHGZKQESA-N 2 0 297.443 0.977 20 70 CCIDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000161256153 350716973 /nfs/dbraw/zinc/71/69/73/350716973.db2.gz XLGLCLUKCPOFAP-LLVKDONJSA-N 2 0 283.338 0.479 20 70 CCIDRP CC(C)(O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217039996 389133990 /nfs/dbraw/zinc/13/39/90/389133990.db2.gz HRLWNYSBJKJWQT-STQMWFEESA-N 2 0 283.416 0.338 20 70 CCIDRP COCC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161322875 523853285 /nfs/dbraw/zinc/85/32/85/523853285.db2.gz RTLFXPVPOKTWOL-CQSZACIVSA-N 2 0 255.406 0.735 20 70 CCIDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@](C)(O)CC)C2)CC1 ZINC000160998716 521695553 /nfs/dbraw/zinc/69/55/53/521695553.db2.gz AYJKHIVQXKUDKQ-LSDHHAIUSA-N 2 0 269.433 0.859 20 70 CCIDRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC[NH2+]1 ZINC000159610767 350682942 /nfs/dbraw/zinc/68/29/42/350682942.db2.gz FVQHGPMVDXXUHU-SCRDCRAPSA-N 2 0 251.374 0.872 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000161270167 350717787 /nfs/dbraw/zinc/71/77/87/350717787.db2.gz QJDZMWWXISDIPE-UHFFFAOYSA-N 2 0 285.432 0.980 20 70 CCIDRP CC[NH+]1CCN(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000159364566 350676872 /nfs/dbraw/zinc/67/68/72/350676872.db2.gz SCKFPTODWZKKAF-GASCZTMLSA-N 2 0 294.443 0.367 20 70 CCIDRP CCC(CC)[C@H](C(=O)N1CC[NH2+]CC1)N1CCOCC1 ZINC000159406339 350677888 /nfs/dbraw/zinc/67/78/88/350677888.db2.gz PHDALBLOOTYZHC-CQSZACIVSA-N 2 0 283.416 0.555 20 70 CCIDRP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160229587 276101368 /nfs/dbraw/zinc/10/13/68/276101368.db2.gz HLUJBDWLGFUARR-LLVKDONJSA-N 2 0 259.419 0.621 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](CCOC)CC1 ZINC000161274125 350717648 /nfs/dbraw/zinc/71/76/48/350717648.db2.gz KWFCYRDJTCOOJO-UHFFFAOYSA-N 2 0 285.432 0.979 20 70 CCIDRP COCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000218158623 351955223 /nfs/dbraw/zinc/95/52/23/351955223.db2.gz RZXKYKPZXXBLAK-KCQAQPDRSA-N 2 0 297.443 0.942 20 70 CCIDRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000160448509 544700347 /nfs/dbraw/zinc/70/03/47/544700347.db2.gz GDCIEWCSTQFTPQ-IMYZIWINSA-N 2 0 295.427 0.905 20 70 CCIDRP CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000161124554 350712936 /nfs/dbraw/zinc/71/29/36/350712936.db2.gz LFLMVYBZBBOCFO-CYBMUJFWSA-N 2 0 253.390 0.977 20 70 CCIDRP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161203728 544702937 /nfs/dbraw/zinc/70/29/37/544702937.db2.gz HSJZNZLLNCPIBS-OLZOCXBDSA-N 2 0 268.405 0.010 20 70 CCIDRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000159368176 350676384 /nfs/dbraw/zinc/67/63/84/350676384.db2.gz HIOONQNUABBPSK-AWEZNQCLSA-N 2 0 285.432 0.931 20 70 CCIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000159528629 350680602 /nfs/dbraw/zinc/68/06/02/350680602.db2.gz NGQPQSQYMDDGAR-UHFFFAOYSA-N 2 0 268.405 0.818 20 70 CCIDRP CC[NH+](CC)CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159586190 350682602 /nfs/dbraw/zinc/68/26/02/350682602.db2.gz AWDYMPPGLOFTRH-LBPRGKRZSA-N 2 0 273.446 0.882 20 70 CCIDRP C[NH+](C)C(C)(C)CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000160311219 350698587 /nfs/dbraw/zinc/69/85/87/350698587.db2.gz RJFHNXLSRIPPCK-LLVKDONJSA-N 2 0 273.446 0.880 20 70 CCIDRP C[NH+](C)C1(CNC(=O)COC2CC[NH2+]CC2)CCCC1 ZINC000160836254 389401062 /nfs/dbraw/zinc/40/10/62/389401062.db2.gz OFEIABGXGPQMBI-UHFFFAOYSA-N 2 0 283.416 0.746 20 70 CCIDRP CCC(CC)(C[NH3+])C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000161287224 389405207 /nfs/dbraw/zinc/40/52/07/389405207.db2.gz RPBGARLYQSLYPS-ZDUSSCGKSA-N 2 0 285.432 0.931 20 70 CCIDRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000161276192 389405244 /nfs/dbraw/zinc/40/52/44/389405244.db2.gz PLSHNECBOYKQIO-OCCSQVGLSA-N 2 0 253.390 0.882 20 70 CCIDRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000217055812 351944780 /nfs/dbraw/zinc/94/47/80/351944780.db2.gz RDPOQVATIDNDCJ-ZIAGYGMSSA-N 2 0 265.401 0.977 20 70 CCIDRP C[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000161275952 389405523 /nfs/dbraw/zinc/40/55/23/389405523.db2.gz PLSHNECBOYKQIO-JSGCOSHPSA-N 2 0 253.390 0.882 20 70 CCIDRP COC1(C(=O)NCC2([NH3+])CCCCC2)CC[NH2+]CC1 ZINC000159691003 350685200 /nfs/dbraw/zinc/68/52/00/350685200.db2.gz VSOJBBOZWDOCPQ-UHFFFAOYSA-N 2 0 269.389 0.533 20 70 CCIDRP C[C@H](C(=O)NCCC[NH3+])N1CCc2ccccc2C1 ZINC000160084017 389380371 /nfs/dbraw/zinc/38/03/71/389380371.db2.gz IOXISEJRCPMLLY-GFCCVEGCSA-N 2 0 261.369 0.898 20 70 CCIDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160078356 389379356 /nfs/dbraw/zinc/37/93/56/389379356.db2.gz JKOWDESHLNWYPY-OLZOCXBDSA-N 2 0 271.405 0.290 20 70 CCIDRP CC[NH+]1CCN(CCC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000160495673 389391508 /nfs/dbraw/zinc/39/15/08/389391508.db2.gz JEKXGAJKKJTZII-UHFFFAOYSA-N 2 0 284.448 0.648 20 70 CCIDRP C[N@@H+]1CCC[C@H]2CN(C(=O)COC3(C)C[NH2+]C3)CC[C@H]21 ZINC000161218243 544705001 /nfs/dbraw/zinc/70/50/01/544705001.db2.gz MNEQJUCEODZQMU-QWHCGFSZSA-N 2 0 281.400 0.308 20 70 CCIDRP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+](C)C ZINC000160083207 277724042 /nfs/dbraw/zinc/72/40/42/277724042.db2.gz IVSQNZPDGFLCSF-KBPBESRZSA-N 2 0 285.432 0.536 20 70 CCIDRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161305149 136842293 /nfs/dbraw/zinc/84/22/93/136842293.db2.gz TUVZHPIJKLUYRS-ACJTYDJDSA-N 2 0 251.374 0.870 20 70 CCIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159516083 350680996 /nfs/dbraw/zinc/68/09/96/350680996.db2.gz PAQOQCDPFIOUEX-OLZOCXBDSA-N 2 0 253.390 0.929 20 70 CCIDRP CC(C)N(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000216934949 389133978 /nfs/dbraw/zinc/13/39/78/389133978.db2.gz DHCLPXWRKPSBDU-CQSZACIVSA-N 2 0 299.459 0.878 20 70 CCIDRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160486092 389391154 /nfs/dbraw/zinc/39/11/54/389391154.db2.gz BYQUZWYRCZBODE-LBPRGKRZSA-N 2 0 298.431 0.030 20 70 CCIDRP CC[C@@](C)(O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000161125752 389404588 /nfs/dbraw/zinc/40/45/88/389404588.db2.gz AWOGCDRFPXODRL-CQSZACIVSA-N 2 0 258.406 0.926 20 70 CCIDRP COC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000159404671 293117973 /nfs/dbraw/zinc/11/79/73/293117973.db2.gz NLZCRGDWOPMRIY-LSDHHAIUSA-N 2 0 291.395 0.913 20 70 CCIDRP COCC[N@H+](C)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161281864 523585975 /nfs/dbraw/zinc/58/59/75/523585975.db2.gz KLZGPDGWBXODTB-UHFFFAOYSA-N 2 0 285.432 0.992 20 70 CCIDRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000160448264 544699501 /nfs/dbraw/zinc/69/95/01/544699501.db2.gz GDCIEWCSTQFTPQ-WSJRWKCISA-N 2 0 295.427 0.905 20 70 CCIDRP COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217032414 329316698 /nfs/dbraw/zinc/31/66/98/329316698.db2.gz BVLFUMLRSJENHO-KGLIPLIRSA-N 2 0 283.416 0.603 20 70 CCIDRP