smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108778 811721524 /nfs/dbraw/zinc/72/15/24/811721524.db2.gz NNYUZCQPLFQLFC-AEFFLSMTSA-N 2 2 361.486 1.674 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000732064375 918977810 /nfs/dbraw/zinc/97/78/10/918977810.db2.gz KABYNWFGQJJZEW-IBGZPJMESA-N 2 2 362.518 1.520 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000817895368 943068808 /nfs/dbraw/zinc/06/88/08/943068808.db2.gz UGXVXPIPVSVGIA-VQTJNVASSA-N 2 2 363.477 1.643 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844224525 947859483 /nfs/dbraw/zinc/85/94/83/947859483.db2.gz GTVFAEXJOJYWAA-NRFANRHFSA-N 2 2 372.513 1.419 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844224525 947859489 /nfs/dbraw/zinc/85/94/89/947859489.db2.gz GTVFAEXJOJYWAA-NRFANRHFSA-N 2 2 372.513 1.419 20 10 FDCDLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775834983 972956782 /nfs/dbraw/zinc/95/67/82/972956782.db2.gz XNVNPIGXQGFEJR-MRXNPFEDSA-N 2 2 362.518 1.630 20 10 FDCDLP Cc1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(N)[nH+]1 ZINC000865653737 974406678 /nfs/dbraw/zinc/40/66/78/974406678.db2.gz XNGDMRYJNSDKLZ-UHFFFAOYSA-N 2 2 353.474 1.906 20 10 FDCDLP Cc1nc(N)nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH+]1 ZINC000865653737 974406685 /nfs/dbraw/zinc/40/66/85/974406685.db2.gz XNGDMRYJNSDKLZ-UHFFFAOYSA-N 2 2 353.474 1.906 20 10 FDCDLP CCOCCCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000849067000 977301007 /nfs/dbraw/zinc/30/10/07/977301007.db2.gz WLHSWHHZSSGKJM-UHFFFAOYSA-N 2 2 363.506 1.358 20 10 FDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000883371927 982101108 /nfs/dbraw/zinc/10/11/08/982101108.db2.gz FNDYPMMQDNEDHT-GOSISDBHSA-N 2 2 364.509 1.778 20 10 FDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778712 995764244 /nfs/dbraw/zinc/76/42/44/995764244.db2.gz WTOXYWMEHHRXPC-QAPCUYQASA-N 2 2 360.502 1.245 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2F)CC1 ZINC000287541440 999958461 /nfs/dbraw/zinc/95/84/61/999958461.db2.gz JVLTXAXJKIOKBB-UHFFFAOYSA-N 2 2 359.449 1.940 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)NCc3[nH+]ccn3C)cc2F)CC1 ZINC000264386717 537143433 /nfs/dbraw/zinc/14/34/33/537143433.db2.gz VVHZIWQPPGYKAL-UHFFFAOYSA-N 2 2 374.464 1.701 20 10 FDCDLP COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437269 537980932 /nfs/dbraw/zinc/98/09/32/537980932.db2.gz DRZKNKSDUSKJJB-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437269 537980938 /nfs/dbraw/zinc/98/09/38/537980938.db2.gz DRZKNKSDUSKJJB-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP C[N@@H+]1CCN(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C(=O)C1 ZINC000365256380 568375635 /nfs/dbraw/zinc/37/56/35/568375635.db2.gz NFRMCHOVHAOJQX-UHFFFAOYSA-N 2 2 355.841 1.923 20 10 FDCDLP C[N@H+]1CCN(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C(=O)C1 ZINC000365256380 568375636 /nfs/dbraw/zinc/37/56/36/568375636.db2.gz NFRMCHOVHAOJQX-UHFFFAOYSA-N 2 2 355.841 1.923 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000891249430 774107519 /nfs/dbraw/zinc/10/75/19/774107519.db2.gz QVSBGGNUAHHDDZ-SJLPKXTDSA-N 2 2 355.486 1.931 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370445 982098537 /nfs/dbraw/zinc/09/85/37/982098537.db2.gz LMIMNWDSBXKWHN-DLBZAZTESA-N 2 2 363.502 1.848 20 10 FDCDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372243 982101151 /nfs/dbraw/zinc/10/11/51/982101151.db2.gz STBFKDWEQXYJMW-OAHLLOKOSA-N 2 2 353.894 1.932 20 10 FDCDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372242 982101418 /nfs/dbraw/zinc/10/14/18/982101418.db2.gz STBFKDWEQXYJMW-HNNXBMFYSA-N 2 2 353.894 1.932 20 10 FDCDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cn1cccn1 ZINC000873141428 988599068 /nfs/dbraw/zinc/59/90/68/988599068.db2.gz FGNCJJXVCQPBDS-SFHVURJKSA-N 2 2 371.485 1.369 20 10 FDCDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cn1cccn1 ZINC000873141428 988599073 /nfs/dbraw/zinc/59/90/73/988599073.db2.gz FGNCJJXVCQPBDS-SFHVURJKSA-N 2 2 371.485 1.369 20 10 FDCDLP COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369852618 989240946 /nfs/dbraw/zinc/24/09/46/989240946.db2.gz RQOHBUZTNOZLHJ-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369852618 989240959 /nfs/dbraw/zinc/24/09/59/989240959.db2.gz RQOHBUZTNOZLHJ-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)NCCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000891428902 777069019 /nfs/dbraw/zinc/06/90/19/777069019.db2.gz GTACGDOTCXDRGT-SFHVURJKSA-N 2 2 358.490 1.941 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)cc2=O ZINC000277243407 781177384 /nfs/dbraw/zinc/17/73/84/781177384.db2.gz PQCDBEFRVOUJCO-CQSZACIVSA-N 2 2 361.446 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)cc2=O ZINC000277243407 781177392 /nfs/dbraw/zinc/17/73/92/781177392.db2.gz PQCDBEFRVOUJCO-CQSZACIVSA-N 2 2 361.446 1.528 20 10 FDCDLP CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911665149 858877381 /nfs/dbraw/zinc/87/73/81/858877381.db2.gz AJLUUONARWZEMJ-QRVBRYPASA-N 2 2 362.518 1.758 20 10 FDCDLP CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911665149 858877388 /nfs/dbraw/zinc/87/73/88/858877388.db2.gz AJLUUONARWZEMJ-QRVBRYPASA-N 2 2 362.518 1.758 20 10 FDCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765417914 907031179 /nfs/dbraw/zinc/03/11/79/907031179.db2.gz YGGIVWHRGITNFI-HNNXBMFYSA-N 2 2 364.465 1.087 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169495585 928681713 /nfs/dbraw/zinc/68/17/13/928681713.db2.gz GCTJKVANANFQSA-SFHVURJKSA-N 2 2 360.502 1.418 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061544 943393900 /nfs/dbraw/zinc/39/39/00/943393900.db2.gz WHVWOPCCQVQQFY-HKUYNNGSSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061544 943393907 /nfs/dbraw/zinc/39/39/07/943393907.db2.gz WHVWOPCCQVQQFY-HKUYNNGSSA-N 2 2 364.534 1.108 20 10 FDCDLP CCN1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC001172023034 961412320 /nfs/dbraw/zinc/41/23/20/961412320.db2.gz JVGSZAITQPJOEQ-SFHVURJKSA-N 2 2 374.529 1.808 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256300 966983100 /nfs/dbraw/zinc/98/31/00/966983100.db2.gz WJLLRZPZBQOQNB-ROUUACIJSA-N 2 2 374.529 1.726 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000775368770 967637666 /nfs/dbraw/zinc/63/76/66/967637666.db2.gz FDNYNNVSKLCUQZ-AWEZNQCLSA-N 2 2 365.474 1.278 20 10 FDCDLP CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642617 973078723 /nfs/dbraw/zinc/07/87/23/973078723.db2.gz SXCUMXQBKICTEC-ARJAWSKDSA-N 2 2 357.502 1.409 20 10 FDCDLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(O)c1OC ZINC000892174432 781966024 /nfs/dbraw/zinc/96/60/24/781966024.db2.gz ADXXVVJAQRINCK-OAHLLOKOSA-N 2 2 363.458 1.148 20 10 FDCDLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(O)c1OC ZINC000892174432 781966033 /nfs/dbraw/zinc/96/60/33/781966033.db2.gz ADXXVVJAQRINCK-OAHLLOKOSA-N 2 2 363.458 1.148 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281606 /nfs/dbraw/zinc/28/16/06/524281606.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281612 /nfs/dbraw/zinc/28/16/12/524281612.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281617 /nfs/dbraw/zinc/28/16/17/524281617.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281623 /nfs/dbraw/zinc/28/16/23/524281623.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 2 374.529 1.758 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)cc2=O ZINC000247295100 537105082 /nfs/dbraw/zinc/10/50/82/537105082.db2.gz UJMKVUCIIMTVRF-BBRMVZONSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)cc2=O ZINC000247295100 537105085 /nfs/dbraw/zinc/10/50/85/537105085.db2.gz UJMKVUCIIMTVRF-BBRMVZONSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)cc2=O ZINC000247295100 537105087 /nfs/dbraw/zinc/10/50/87/537105087.db2.gz UJMKVUCIIMTVRF-BBRMVZONSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)cc2=O ZINC000247295100 537105091 /nfs/dbraw/zinc/10/50/91/537105091.db2.gz UJMKVUCIIMTVRF-BBRMVZONSA-N 2 2 373.457 1.528 20 10 FDCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(O)c1 ZINC000363860020 537346703 /nfs/dbraw/zinc/34/67/03/537346703.db2.gz TXCJAHZLSIDESS-FUHWJXTLSA-N 2 2 361.486 1.674 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3cc4c(c[nH+]3)OCC(=O)N4)cc2)CC1 ZINC001167423323 774570298 /nfs/dbraw/zinc/57/02/98/774570298.db2.gz VQROHEVEOXXJEU-UHFFFAOYSA-N 2 2 353.426 1.776 20 10 FDCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200322 943473165 /nfs/dbraw/zinc/47/31/65/943473165.db2.gz NQCRMUXGHHLWRI-QFIPXVFZSA-N 3 2 372.557 1.763 20 10 FDCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200322 943473167 /nfs/dbraw/zinc/47/31/67/943473167.db2.gz NQCRMUXGHHLWRI-QFIPXVFZSA-N 3 2 372.557 1.763 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2F)CC1 ZINC001329775503 957706680 /nfs/dbraw/zinc/70/66/80/957706680.db2.gz UFAWHWRUAKMEON-UHFFFAOYSA-N 2 2 364.465 1.216 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@@H]3CC[NH+](C)C3)cc12 ZINC001184361688 963542959 /nfs/dbraw/zinc/54/29/59/963542959.db2.gz ZVTMKBDEQPITMA-AWEZNQCLSA-N 2 2 373.453 1.307 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@@H]3CC[NH+](C)C3)cc12 ZINC001184361688 963542968 /nfs/dbraw/zinc/54/29/68/963542968.db2.gz ZVTMKBDEQPITMA-AWEZNQCLSA-N 2 2 373.453 1.307 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[NH+](C)CC(=O)NC[C@@H]3CC[N@H+](C)C3)cc12 ZINC001184361688 963542975 /nfs/dbraw/zinc/54/29/75/963542975.db2.gz ZVTMKBDEQPITMA-AWEZNQCLSA-N 2 2 373.453 1.307 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[NH+](C)CC(=O)NC[C@@H]3CC[N@@H+](C)C3)cc12 ZINC001184361688 963542982 /nfs/dbraw/zinc/54/29/82/963542982.db2.gz ZVTMKBDEQPITMA-AWEZNQCLSA-N 2 2 373.453 1.307 20 10 FDCDLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858126349 981846909 /nfs/dbraw/zinc/84/69/09/981846909.db2.gz YVOVWEMTMZPYDR-UHFFFAOYSA-N 2 2 356.264 1.408 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000883370558 982098157 /nfs/dbraw/zinc/09/81/57/982098157.db2.gz NUXAGTKFDWHWJL-DOTOQJQBSA-N 2 2 351.466 1.979 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000299551378 988589669 /nfs/dbraw/zinc/58/96/69/988589669.db2.gz CYUPLUWBKHDYPK-UHFFFAOYSA-N 2 2 371.485 1.610 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000925762349 995755583 /nfs/dbraw/zinc/75/55/83/995755583.db2.gz JDMDIZNODPFAHC-NJDAHSKKSA-N 3 2 358.530 1.685 20 10 FDCDLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367613241 537967115 /nfs/dbraw/zinc/96/71/15/537967115.db2.gz BZTKRMIXJAHJGE-NVXWUHKLSA-N 2 2 365.449 1.505 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973186 /nfs/dbraw/zinc/97/31/86/537973186.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973191 /nfs/dbraw/zinc/97/31/91/537973191.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973196 /nfs/dbraw/zinc/97/31/96/537973196.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973201 /nfs/dbraw/zinc/97/32/01/537973201.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 2 2 363.502 1.799 20 10 FDCDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000273542941 814796554 /nfs/dbraw/zinc/79/65/54/814796554.db2.gz YSQNECHGTROLKO-IRXDYDNUSA-N 2 2 361.486 1.593 20 10 FDCDLP CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911665150 858877270 /nfs/dbraw/zinc/87/72/70/858877270.db2.gz AJLUUONARWZEMJ-QYZOEREBSA-N 2 2 362.518 1.758 20 10 FDCDLP CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911665150 858877279 /nfs/dbraw/zinc/87/72/79/858877279.db2.gz AJLUUONARWZEMJ-QYZOEREBSA-N 2 2 362.518 1.758 20 10 FDCDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1O ZINC000171937658 865403275 /nfs/dbraw/zinc/40/32/75/865403275.db2.gz ZBKNDMZNSPQHFQ-INIZCTEOSA-N 2 2 354.454 1.956 20 10 FDCDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1O ZINC000171937658 865403280 /nfs/dbraw/zinc/40/32/80/865403280.db2.gz ZBKNDMZNSPQHFQ-INIZCTEOSA-N 2 2 354.454 1.956 20 10 FDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944341 943090679 /nfs/dbraw/zinc/09/06/79/943090679.db2.gz ZLVKJKHRBXKXFC-SCLBCKFNSA-N 2 2 362.499 1.751 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000844223489 947857536 /nfs/dbraw/zinc/85/75/36/947857536.db2.gz BNZVCRWUZBKACU-NRFANRHFSA-N 2 2 372.513 1.419 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000844223489 947857540 /nfs/dbraw/zinc/85/75/40/947857540.db2.gz BNZVCRWUZBKACU-NRFANRHFSA-N 2 2 372.513 1.419 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000775716969 971694242 /nfs/dbraw/zinc/69/42/42/971694242.db2.gz JTGPBMXIBKRUHD-UHFFFAOYSA-N 2 2 351.516 1.447 20 10 FDCDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1O ZINC000854232116 968702072 /nfs/dbraw/zinc/70/20/72/968702072.db2.gz MDPBAGSLBAINLO-MRVPVSSYSA-N 2 2 353.220 1.960 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cn1cccn1 ZINC000873044866 988472206 /nfs/dbraw/zinc/47/22/06/988472206.db2.gz XNUSCZYVMLAFCY-RTBURBONSA-N 2 2 356.470 1.893 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cn1cccn1 ZINC000873044866 988472220 /nfs/dbraw/zinc/47/22/20/988472220.db2.gz XNUSCZYVMLAFCY-RTBURBONSA-N 2 2 356.470 1.893 20 10 FDCDLP NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000925776397 995762800 /nfs/dbraw/zinc/76/28/00/995762800.db2.gz FWDPFKDTPQBUKX-WOJBJXKFSA-N 2 2 372.513 1.245 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)cc2=O ZINC000139934280 524300461 /nfs/dbraw/zinc/30/04/61/524300461.db2.gz UJMKVUCIIMTVRF-CJNGLKHVSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)cc2=O ZINC000139934280 524300468 /nfs/dbraw/zinc/30/04/68/524300468.db2.gz UJMKVUCIIMTVRF-CJNGLKHVSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)cc2=O ZINC000139934280 524300478 /nfs/dbraw/zinc/30/04/78/524300478.db2.gz UJMKVUCIIMTVRF-CJNGLKHVSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C)C1)cc2=O ZINC000139934280 524300487 /nfs/dbraw/zinc/30/04/87/524300487.db2.gz UJMKVUCIIMTVRF-CJNGLKHVSA-N 2 2 373.457 1.528 20 10 FDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129356597 525644738 /nfs/dbraw/zinc/64/47/38/525644738.db2.gz PVBWTGYEDYHVEL-LJQANCHMSA-N 2 2 374.529 1.365 20 10 FDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906704 537016704 /nfs/dbraw/zinc/01/67/04/537016704.db2.gz MAZLBVWPWNOTSW-RDJZCZTQSA-N 2 2 350.482 1.559 20 10 FDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906704 537016708 /nfs/dbraw/zinc/01/67/08/537016708.db2.gz MAZLBVWPWNOTSW-RDJZCZTQSA-N 2 2 350.482 1.559 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2F)CC1 ZINC000193183290 537241997 /nfs/dbraw/zinc/24/19/97/537241997.db2.gz WQZDYMNXWGHDJN-UHFFFAOYSA-N 2 2 373.476 1.950 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH+]2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034570 537973244 /nfs/dbraw/zinc/97/32/44/537973244.db2.gz BQDDFBWOSXRUBW-HIFRSBDPSA-N 2 2 368.499 1.703 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1O ZINC000372616076 537989867 /nfs/dbraw/zinc/98/98/67/537989867.db2.gz DPTSSCVEYVZKKO-KGLIPLIRSA-N 2 2 355.429 1.728 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000891249428 774107355 /nfs/dbraw/zinc/10/73/55/774107355.db2.gz QVSBGGNUAHHDDZ-FUHWJXTLSA-N 2 2 355.486 1.931 20 10 FDCDLP Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC000899211040 845945123 /nfs/dbraw/zinc/94/51/23/845945123.db2.gz HWHOUXWYHWWNBB-UHFFFAOYSA-N 2 2 355.486 1.995 20 10 FDCDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)CC1 ZINC000918906846 885010073 /nfs/dbraw/zinc/01/00/73/885010073.db2.gz ROEUWQNTKLYFFX-ZDUSSCGKSA-N 2 2 350.438 1.499 20 10 FDCDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)CC1 ZINC000918906846 885010089 /nfs/dbraw/zinc/01/00/89/885010089.db2.gz ROEUWQNTKLYFFX-ZDUSSCGKSA-N 2 2 350.438 1.499 20 10 FDCDLP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000817889886 943045322 /nfs/dbraw/zinc/04/53/22/943045322.db2.gz QCGGFQNJRRHKTC-HOJAQTOUSA-N 2 2 372.513 1.245 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000817895361 943069015 /nfs/dbraw/zinc/06/90/15/943069015.db2.gz UECAQIOLJBAMJV-ZWKOTPCHSA-N 2 2 362.518 1.174 20 10 FDCDLP O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C[NH+]1CCCC1 ZINC000863550712 973005719 /nfs/dbraw/zinc/00/57/19/973005719.db2.gz DMIYQKBRMGCZAP-KRWDZBQOSA-N 2 2 351.466 1.333 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000881851976 980214178 /nfs/dbraw/zinc/21/41/78/980214178.db2.gz FIEAYFNGEGBVHL-KRWDZBQOSA-N 2 2 353.470 1.514 20 10 FDCDLP Oc1ccccc1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000179578160 525603209 /nfs/dbraw/zinc/60/32/09/525603209.db2.gz KSLPLJJKVSBBHH-UHFFFAOYSA-N 2 2 355.442 1.341 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1O ZINC000372616078 537989736 /nfs/dbraw/zinc/98/97/36/537989736.db2.gz DPTSSCVEYVZKKO-ZIAGYGMSSA-N 2 2 355.429 1.728 20 10 FDCDLP COc1cc(C)cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000895685675 822705236 /nfs/dbraw/zinc/70/52/36/822705236.db2.gz MVEBURGPFOGFTL-SFHVURJKSA-N 2 2 363.502 1.595 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c[nH+]cn3C)cc2F)CC1 ZINC000806810292 940063352 /nfs/dbraw/zinc/06/33/52/940063352.db2.gz RZCMIVLYMVVSPH-UHFFFAOYSA-N 2 2 359.449 1.560 20 10 FDCDLP COc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000844715183 948322288 /nfs/dbraw/zinc/32/22/88/948322288.db2.gz VKDHFZKPSOPMKI-UHFFFAOYSA-N 2 2 363.502 1.904 20 10 FDCDLP COc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000844715183 948322294 /nfs/dbraw/zinc/32/22/94/948322294.db2.gz VKDHFZKPSOPMKI-UHFFFAOYSA-N 2 2 363.502 1.904 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)c3ccccn3)CC2)cc1 ZINC000853097081 967829625 /nfs/dbraw/zinc/82/96/25/967829625.db2.gz VAAKWVYEODYOTL-NRFANRHFSA-N 2 2 370.497 1.926 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2F)C[C@H](C)O1 ZINC000863550577 973006707 /nfs/dbraw/zinc/00/67/07/973006707.db2.gz AQWOSHRPNYVEPP-JZXOWHBKSA-N 2 2 365.493 1.986 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)CC2)cc1 ZINC000872197413 987508099 /nfs/dbraw/zinc/50/80/99/987508099.db2.gz NFFMAFBTNIWOCA-GOSISDBHSA-N 2 2 365.518 1.319 20 10 FDCDLP C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)nn1 ZINC000779614012 1010391313 /nfs/dbraw/zinc/39/13/13/1010391313.db2.gz NEABBPNRUKZZTC-HNNXBMFYSA-N 2 2 356.474 1.140 20 10 FDCDLP COc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000172242560 865538931 /nfs/dbraw/zinc/53/89/31/865538931.db2.gz BCQGHVRRJMBADQ-UHFFFAOYSA-N 2 2 374.529 1.806 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300381 888788579 /nfs/dbraw/zinc/78/85/79/888788579.db2.gz QSCXMBWBNYBLIK-QUCCMNQESA-N 2 2 364.534 1.141 20 10 FDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895471 943068095 /nfs/dbraw/zinc/06/80/95/943068095.db2.gz VFZFHSKCPFGDHQ-GDBMZVCRSA-N 2 2 351.466 1.643 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)cc2F)CC1 ZINC000817902078 943071782 /nfs/dbraw/zinc/07/17/82/943071782.db2.gz HSZUHTCURAWRQL-WMZOPIPTSA-N 3 2 364.509 1.824 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000844223491 947856977 /nfs/dbraw/zinc/85/69/77/947856977.db2.gz BNZVCRWUZBKACU-OAQYLSRUSA-N 2 2 372.513 1.419 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000844223491 947856984 /nfs/dbraw/zinc/85/69/84/947856984.db2.gz BNZVCRWUZBKACU-OAQYLSRUSA-N 2 2 372.513 1.419 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@H+](CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000775728231 971793100 /nfs/dbraw/zinc/79/31/00/971793100.db2.gz QSTYLUNFUDRLKX-UHFFFAOYSA-N 2 2 351.516 1.447 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@@H+](CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000775728231 971793106 /nfs/dbraw/zinc/79/31/06/971793106.db2.gz QSTYLUNFUDRLKX-UHFFFAOYSA-N 2 2 351.516 1.447 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000863642289 973078433 /nfs/dbraw/zinc/07/84/33/973078433.db2.gz NVTJTFFARCPFJE-CABCVRRESA-N 2 2 351.834 1.803 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000883035509 981904315 /nfs/dbraw/zinc/90/43/15/981904315.db2.gz FOJJOAAJIRVUMV-UHFFFAOYSA-N 2 2 356.474 1.524 20 10 FDCDLP CCOc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883372035 982101455 /nfs/dbraw/zinc/10/14/55/982101455.db2.gz JKXXFXYAFDERSO-SFHVURJKSA-N 2 2 363.502 1.677 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1c(O)cccc1F ZINC000886651344 986453793 /nfs/dbraw/zinc/45/37/93/986453793.db2.gz BZQQTHAIKGJKNJ-HZPDHXFCSA-N 2 2 351.466 1.979 20 10 FDCDLP Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000876989794 992997479 /nfs/dbraw/zinc/99/74/79/992997479.db2.gz GBZSIRMUAVOYGM-UHFFFAOYSA-N 2 2 354.454 1.924 20 10 FDCDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877642151 993400807 /nfs/dbraw/zinc/40/08/07/993400807.db2.gz QLZJJHCPBRYCOB-UHFFFAOYSA-N 2 2 355.486 1.703 20 10 FDCDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821101 525004295 /nfs/dbraw/zinc/00/42/95/525004295.db2.gz XOSRXRWBQLBLAE-FQEVSTJZSA-N 2 2 372.513 1.262 20 10 FDCDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821101 525004307 /nfs/dbraw/zinc/00/43/07/525004307.db2.gz XOSRXRWBQLBLAE-FQEVSTJZSA-N 2 2 372.513 1.262 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000891249427 774107470 /nfs/dbraw/zinc/10/74/70/774107470.db2.gz QVSBGGNUAHHDDZ-AEFFLSMTSA-N 2 2 355.486 1.931 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000918838637 884953657 /nfs/dbraw/zinc/95/36/57/884953657.db2.gz LDKZAZGXEWANDW-UHFFFAOYSA-N 2 2 367.497 1.830 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001169573351 928751875 /nfs/dbraw/zinc/75/18/75/928751875.db2.gz CTMQZOLWDLQMIG-IBGZPJMESA-N 2 2 374.529 1.808 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncccc3S(C)(=O)=O)cc2)CC1 ZINC000785571189 931512763 /nfs/dbraw/zinc/51/27/63/931512763.db2.gz GXJVEIYWMIGEBT-UHFFFAOYSA-N 2 2 374.510 1.527 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000818977487 943367229 /nfs/dbraw/zinc/36/72/29/943367229.db2.gz WYSGWYMLRBSPOJ-XLIONFOSSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000818977487 943367233 /nfs/dbraw/zinc/36/72/33/943367233.db2.gz WYSGWYMLRBSPOJ-XLIONFOSSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](CCN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925509599 995634733 /nfs/dbraw/zinc/63/47/33/995634733.db2.gz YJNXGLLFQYYMIB-WYZBVHOTSA-N 2 2 356.514 1.403 20 10 FDCDLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144104 1007436839 /nfs/dbraw/zinc/43/68/39/1007436839.db2.gz MJAJZJJYSXTGKS-RBUKOAKNSA-N 2 2 361.486 1.591 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034147 525793702 /nfs/dbraw/zinc/79/37/02/525793702.db2.gz UEPFDFATXYFITC-AEFFLSMTSA-N 2 2 360.502 1.336 20 10 FDCDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181043421 525796171 /nfs/dbraw/zinc/79/61/71/525796171.db2.gz JASJWUHEGWAJDM-IEBWSBKVSA-N 2 2 374.529 1.726 20 10 FDCDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367617989 537966638 /nfs/dbraw/zinc/96/66/38/537966638.db2.gz OCMRMYDPJWIXMN-WMZOPIPTSA-N 2 2 351.466 1.979 20 10 FDCDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572853 677452189 /nfs/dbraw/zinc/45/21/89/677452189.db2.gz JAWLPHASPCBPAF-RDJZCZTQSA-N 2 2 367.877 1.457 20 10 FDCDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572853 677452190 /nfs/dbraw/zinc/45/21/90/677452190.db2.gz JAWLPHASPCBPAF-RDJZCZTQSA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572853 677452192 /nfs/dbraw/zinc/45/21/92/677452192.db2.gz JAWLPHASPCBPAF-RDJZCZTQSA-N 2 2 367.877 1.457 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C)cc12 ZINC001184362319 963543070 /nfs/dbraw/zinc/54/30/70/963543070.db2.gz PNWWZGCBXTUDHM-CYBMUJFWSA-N 2 2 361.442 1.305 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)C)cc12 ZINC001184362319 963543073 /nfs/dbraw/zinc/54/30/73/963543073.db2.gz PNWWZGCBXTUDHM-CYBMUJFWSA-N 2 2 361.442 1.305 20 10 FDCDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883143228 981978217 /nfs/dbraw/zinc/97/82/17/981978217.db2.gz FCTCYVQBJDQNFJ-INIZCTEOSA-N 2 2 356.474 1.523 20 10 FDCDLP CCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1O ZINC000264958814 537150625 /nfs/dbraw/zinc/15/06/25/537150625.db2.gz YSWHTQNTLAYEQP-UHFFFAOYSA-N 2 2 363.502 1.831 20 10 FDCDLP CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1O ZINC000264958814 537150627 /nfs/dbraw/zinc/15/06/27/537150627.db2.gz YSWHTQNTLAYEQP-UHFFFAOYSA-N 2 2 363.502 1.831 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)cc1 ZINC000292167621 537712823 /nfs/dbraw/zinc/71/28/23/537712823.db2.gz PFLWKWQADQJOCN-OAQYLSRUSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)cc1 ZINC000292167621 537712825 /nfs/dbraw/zinc/71/28/25/537712825.db2.gz PFLWKWQADQJOCN-OAQYLSRUSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)cc1 ZINC000292167621 537712828 /nfs/dbraw/zinc/71/28/28/537712828.db2.gz PFLWKWQADQJOCN-OAQYLSRUSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)cc1 ZINC000292167621 537712829 /nfs/dbraw/zinc/71/28/29/537712829.db2.gz PFLWKWQADQJOCN-OAQYLSRUSA-N 2 2 372.513 1.371 20 10 FDCDLP Cc1cc(O)c(C[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000372814568 538038078 /nfs/dbraw/zinc/03/80/78/538038078.db2.gz ZROXQDOHWYWGQZ-QGZVFWFLSA-N 2 2 352.500 1.750 20 10 FDCDLP C/C(=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000891245590 774080766 /nfs/dbraw/zinc/08/07/66/774080766.db2.gz HHWVHIJZBYVWNI-NMIWIPSGSA-N 2 2 374.529 1.750 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]ccc4c3OCC(=O)N4)cc2)CC1 ZINC001167427073 774586410 /nfs/dbraw/zinc/58/64/10/774586410.db2.gz WKYFAUJMGHLISQ-UHFFFAOYSA-N 2 2 353.426 1.776 20 10 FDCDLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108792 811721854 /nfs/dbraw/zinc/72/18/54/811721854.db2.gz NNYUZCQPLFQLFC-WMZOPIPTSA-N 2 2 361.486 1.674 20 10 FDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685392 822704968 /nfs/dbraw/zinc/70/49/68/822704968.db2.gz LIHUYPDQPIXWSM-HXUWFJFHSA-N 2 2 360.546 1.947 20 10 FDCDLP CS(=O)(=O)N1CC[NH+](CCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001169348680 928440375 /nfs/dbraw/zinc/44/03/75/928440375.db2.gz QIQCOIXAVZVBKE-QGZVFWFLSA-N 2 2 366.531 1.143 20 10 FDCDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000883370560 982098097 /nfs/dbraw/zinc/09/80/97/982098097.db2.gz NUXAGTKFDWHWJL-RDJZCZTQSA-N 2 2 351.466 1.979 20 10 FDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cn1cccn1 ZINC000873044863 988471914 /nfs/dbraw/zinc/47/19/14/988471914.db2.gz XNUSCZYVMLAFCY-MOPGFXCFSA-N 2 2 356.470 1.893 20 10 FDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cn1cccn1 ZINC000873044863 988471923 /nfs/dbraw/zinc/47/19/23/988471923.db2.gz XNUSCZYVMLAFCY-MOPGFXCFSA-N 2 2 356.470 1.893 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)c3oc(C[NH3+])cc3C)CC2)cc1 ZINC000876783055 992911286 /nfs/dbraw/zinc/91/12/86/992911286.db2.gz YPRLLUYAEAGYON-UHFFFAOYSA-N 2 2 372.469 1.607 20 10 FDCDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000181346964 525842301 /nfs/dbraw/zinc/84/23/01/525842301.db2.gz SDCFZPIUYIPFBZ-MRXNPFEDSA-N 2 2 367.877 1.377 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000746174110 927648903 /nfs/dbraw/zinc/64/89/03/927648903.db2.gz KMFHVTDBMANVSC-ROUUACIJSA-N 2 2 374.529 1.806 20 10 FDCDLP COCC[NH+](CCOC)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000809706583 940889188 /nfs/dbraw/zinc/88/91/88/940889188.db2.gz DLIQCKYWGUDTKJ-UHFFFAOYSA-N 2 2 352.475 1.960 20 10 FDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934621 943084456 /nfs/dbraw/zinc/08/44/56/943084456.db2.gz JHXIJMUBCJTCLQ-DZGCQCFKSA-N 2 2 355.429 1.658 20 10 FDCDLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939172 943088793 /nfs/dbraw/zinc/08/87/93/943088793.db2.gz ACOWWIIBAMKDQL-QAPCUYQASA-N 3 2 362.518 1.663 20 10 FDCDLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000819358297 943540384 /nfs/dbraw/zinc/54/03/84/943540384.db2.gz CJXATFBZBKYTHQ-OAHLLOKOSA-N 2 2 355.429 1.346 20 10 FDCDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000819358297 943540386 /nfs/dbraw/zinc/54/03/86/943540386.db2.gz CJXATFBZBKYTHQ-OAHLLOKOSA-N 2 2 355.429 1.346 20 10 FDCDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631103 989686731 /nfs/dbraw/zinc/68/67/31/989686731.db2.gz ONOKGCYKIDEURV-SJLPKXTDSA-N 2 2 363.502 1.800 20 10 FDCDLP COc1c(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910273 992515197 /nfs/dbraw/zinc/51/51/97/992515197.db2.gz IEAJJUOAAPSYPN-OAHLLOKOSA-N 2 2 364.446 1.521 20 10 FDCDLP COc1c(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910273 992515208 /nfs/dbraw/zinc/51/52/08/992515208.db2.gz IEAJJUOAAPSYPN-OAHLLOKOSA-N 2 2 364.446 1.521 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2F)CC1 ZINC000264439745 997511446 /nfs/dbraw/zinc/51/14/46/997511446.db2.gz PWCQKCVRLYPVHM-UHFFFAOYSA-N 2 2 359.449 1.871 20 10 FDCDLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665927 998516503 /nfs/dbraw/zinc/51/65/03/998516503.db2.gz BCGRAVHALVGDBO-UHFFFAOYSA-N 2 2 370.501 1.867 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)cc2=O ZINC000123892464 524854826 /nfs/dbraw/zinc/85/48/26/524854826.db2.gz KCCGKWGNGGOCDG-TZMCWYRMSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)cc2=O ZINC000123892464 524854835 /nfs/dbraw/zinc/85/48/35/524854835.db2.gz KCCGKWGNGGOCDG-TZMCWYRMSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)cc2=O ZINC000123892464 524854844 /nfs/dbraw/zinc/85/48/44/524854844.db2.gz KCCGKWGNGGOCDG-TZMCWYRMSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)cc2=O ZINC000123892464 524854857 /nfs/dbraw/zinc/85/48/57/524854857.db2.gz KCCGKWGNGGOCDG-TZMCWYRMSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)cc2=O ZINC000247295107 537104410 /nfs/dbraw/zinc/10/44/10/537104410.db2.gz UJMKVUCIIMTVRF-XJKSGUPXSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)cc2=O ZINC000247295107 537104412 /nfs/dbraw/zinc/10/44/12/537104412.db2.gz UJMKVUCIIMTVRF-XJKSGUPXSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)cc2=O ZINC000247295107 537104416 /nfs/dbraw/zinc/10/44/16/537104416.db2.gz UJMKVUCIIMTVRF-XJKSGUPXSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)cc2=O ZINC000247295107 537104417 /nfs/dbraw/zinc/10/44/17/537104417.db2.gz UJMKVUCIIMTVRF-XJKSGUPXSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1O ZINC000285433854 537710538 /nfs/dbraw/zinc/71/05/38/537710538.db2.gz HUNAVOUAMSVJMZ-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1O ZINC000285433854 537710540 /nfs/dbraw/zinc/71/05/40/537710540.db2.gz HUNAVOUAMSVJMZ-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572851 677452119 /nfs/dbraw/zinc/45/21/19/677452119.db2.gz JAWLPHASPCBPAF-DOTOQJQBSA-N 2 2 367.877 1.457 20 10 FDCDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572851 677452121 /nfs/dbraw/zinc/45/21/21/677452121.db2.gz JAWLPHASPCBPAF-DOTOQJQBSA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572851 677452122 /nfs/dbraw/zinc/45/21/22/677452122.db2.gz JAWLPHASPCBPAF-DOTOQJQBSA-N 2 2 367.877 1.457 20 10 FDCDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000273542939 814796507 /nfs/dbraw/zinc/79/65/07/814796507.db2.gz YSQNECHGTROLKO-IAGOWNOFSA-N 2 2 361.486 1.593 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000746174107 927648972 /nfs/dbraw/zinc/64/89/72/927648972.db2.gz KMFHVTDBMANVSC-QZTJIDSGSA-N 2 2 374.529 1.806 20 10 FDCDLP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000817889888 943045229 /nfs/dbraw/zinc/04/52/29/943045229.db2.gz QCGGFQNJRRHKTC-RLLQIKCJSA-N 2 2 372.513 1.245 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000817895369 943069276 /nfs/dbraw/zinc/06/92/76/943069276.db2.gz UGXVXPIPVSVGIA-WOJBJXKFSA-N 2 2 363.477 1.643 20 10 FDCDLP O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000863557466 973014801 /nfs/dbraw/zinc/01/48/01/973014801.db2.gz NZRIDQAXCHNYAN-HNNXBMFYSA-N 2 2 355.429 1.348 20 10 FDCDLP COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883371441 982099354 /nfs/dbraw/zinc/09/93/54/982099354.db2.gz KCMGGFDDAWVCFR-SJORKVTESA-N 2 2 363.502 1.848 20 10 FDCDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372220 982101194 /nfs/dbraw/zinc/10/11/94/982101194.db2.gz REVRCGGVYSXHPX-QGZVFWFLSA-N 2 2 353.894 1.932 20 10 FDCDLP CCOc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883372034 982101298 /nfs/dbraw/zinc/10/12/98/982101298.db2.gz JKXXFXYAFDERSO-GOSISDBHSA-N 2 2 363.502 1.677 20 10 FDCDLP COc1c(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760362 989774965 /nfs/dbraw/zinc/77/49/65/989774965.db2.gz PTVXLBMAGCMAAX-IIAWOOMASA-N 2 2 365.430 1.993 20 10 FDCDLP COc1c(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760362 989774970 /nfs/dbraw/zinc/77/49/70/989774970.db2.gz PTVXLBMAGCMAAX-IIAWOOMASA-N 2 2 365.430 1.993 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)cc1 ZINC000172197379 524155102 /nfs/dbraw/zinc/15/51/02/524155102.db2.gz GNBWUTVVDISQFI-KRWDZBQOSA-N 2 2 360.502 1.227 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)cc1 ZINC000172197379 524155111 /nfs/dbraw/zinc/15/51/11/524155111.db2.gz GNBWUTVVDISQFI-KRWDZBQOSA-N 2 2 360.502 1.227 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282020 /nfs/dbraw/zinc/28/20/20/524282020.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282031 /nfs/dbraw/zinc/28/20/31/524282031.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282038 /nfs/dbraw/zinc/28/20/38/524282038.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282051 /nfs/dbraw/zinc/28/20/51/524282051.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 2 374.529 1.758 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2F)CC1 ZINC000178882696 525498131 /nfs/dbraw/zinc/49/81/31/525498131.db2.gz ZHJXVZKBAZEVOB-HNNXBMFYSA-N 2 2 352.479 1.246 20 10 FDCDLP O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CN1CC[NH+]1CCOCC1 ZINC000178905043 525501878 /nfs/dbraw/zinc/50/18/78/525501878.db2.gz MKASYWRYZBRSBP-OAHLLOKOSA-N 2 2 353.850 1.068 20 10 FDCDLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185341765 536206060 /nfs/dbraw/zinc/20/60/60/536206060.db2.gz FXAHSPWYZWROOC-LBPRGKRZSA-N 2 2 370.291 1.969 20 10 FDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888135 943043719 /nfs/dbraw/zinc/04/37/19/943043719.db2.gz BPOWDDRHGIWNNO-KBAYOESNSA-N 2 2 360.502 1.245 20 10 FDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888136 943043822 /nfs/dbraw/zinc/04/38/22/943043822.db2.gz BPOWDDRHGIWNNO-NJAFHUGGSA-N 2 2 360.502 1.245 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000818942695 943353878 /nfs/dbraw/zinc/35/38/78/943353878.db2.gz IIKBKDRFMHUKNY-LJQANCHMSA-N 2 2 373.501 1.055 20 10 FDCDLP COc1cc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc(OC)c1OC ZINC000298291229 990017880 /nfs/dbraw/zinc/01/78/80/990017880.db2.gz HGDJBAMVVURDOG-UHFFFAOYSA-N 2 2 360.458 1.811 20 10 FDCDLP COc1c(O)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000877746610 993495857 /nfs/dbraw/zinc/49/58/57/993495857.db2.gz TWMJEFSQKYFCKN-UHFFFAOYSA-N 2 2 364.446 1.521 20 10 FDCDLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144105 1007437121 /nfs/dbraw/zinc/43/71/21/1007437121.db2.gz MJAJZJJYSXTGKS-RTBURBONSA-N 2 2 361.486 1.591 20 10 FDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160184597 524826257 /nfs/dbraw/zinc/82/62/57/524826257.db2.gz QTUXDOABLMFXLP-HNNXBMFYSA-N 2 2 350.459 1.954 20 10 FDCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160184597 524826267 /nfs/dbraw/zinc/82/62/67/524826267.db2.gz QTUXDOABLMFXLP-HNNXBMFYSA-N 2 2 350.459 1.954 20 10 FDCDLP COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1O ZINC000184701065 536176756 /nfs/dbraw/zinc/17/67/56/536176756.db2.gz OUIOFIDLEUDVOG-HNNXBMFYSA-N 2 2 367.877 1.793 20 10 FDCDLP COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1O ZINC000184701065 536176757 /nfs/dbraw/zinc/17/67/57/536176757.db2.gz OUIOFIDLEUDVOG-HNNXBMFYSA-N 2 2 367.877 1.793 20 10 FDCDLP CCOc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285413028 537705975 /nfs/dbraw/zinc/70/59/75/537705975.db2.gz GCAXFZWSDMLYEM-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP CCOc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285413028 537705976 /nfs/dbraw/zinc/70/59/76/537705976.db2.gz GCAXFZWSDMLYEM-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034572 537973153 /nfs/dbraw/zinc/97/31/53/537973153.db2.gz BQDDFBWOSXRUBW-ZFWWWQNUSA-N 2 2 368.499 1.703 20 10 FDCDLP O=C(Cn1cc[nH+]c1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092643626 780196091 /nfs/dbraw/zinc/19/60/91/780196091.db2.gz JSLOKEPLOVTYMZ-UHFFFAOYSA-N 2 2 353.470 1.732 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)cc1 ZINC000277272322 781271619 /nfs/dbraw/zinc/27/16/19/781271619.db2.gz RSKMNVUVCBEHLP-SFHVURJKSA-N 2 2 374.529 1.760 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)cc1 ZINC000277272322 781271625 /nfs/dbraw/zinc/27/16/25/781271625.db2.gz RSKMNVUVCBEHLP-SFHVURJKSA-N 2 2 374.529 1.760 20 10 FDCDLP OCC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817892501 943067214 /nfs/dbraw/zinc/06/72/14/943067214.db2.gz ANVWVTZRSSUHPL-SFTDATJTSA-N 2 2 359.514 1.752 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000844221841 947852174 /nfs/dbraw/zinc/85/21/74/947852174.db2.gz VSAHVJBRSKQYIU-JJTKIYQPSA-N 2 2 372.513 1.559 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000844221841 947852178 /nfs/dbraw/zinc/85/21/78/947852178.db2.gz VSAHVJBRSKQYIU-JJTKIYQPSA-N 2 2 372.513 1.559 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844224527 947859017 /nfs/dbraw/zinc/85/90/17/947859017.db2.gz GTVFAEXJOJYWAA-OAQYLSRUSA-N 2 2 372.513 1.419 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844224527 947859030 /nfs/dbraw/zinc/85/90/30/947859030.db2.gz GTVFAEXJOJYWAA-OAQYLSRUSA-N 2 2 372.513 1.419 20 10 FDCDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509484 949786454 /nfs/dbraw/zinc/78/64/54/949786454.db2.gz BWQHKQPSPJDCTO-IBGZPJMESA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509484 949786465 /nfs/dbraw/zinc/78/64/65/949786465.db2.gz BWQHKQPSPJDCTO-IBGZPJMESA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509484 949786479 /nfs/dbraw/zinc/78/64/79/949786479.db2.gz BWQHKQPSPJDCTO-IBGZPJMESA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509484 949786489 /nfs/dbraw/zinc/78/64/89/949786489.db2.gz BWQHKQPSPJDCTO-IBGZPJMESA-N 2 2 366.458 1.364 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2F)C[C@H](C)O1 ZINC000863550579 973006284 /nfs/dbraw/zinc/00/62/84/973006284.db2.gz AQWOSHRPNYVEPP-SOLBZPMBSA-N 2 2 365.493 1.986 20 10 FDCDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000007354704 978288591 /nfs/dbraw/zinc/28/85/91/978288591.db2.gz IPPXQCDWZVZYCX-UHFFFAOYSA-N 2 2 360.502 1.418 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000924581055 994850245 /nfs/dbraw/zinc/85/02/45/994850245.db2.gz ZFBCFLBSRJKOGB-MSOLQXFVSA-N 2 2 374.529 1.854 20 10 FDCDLP COc1ccc(N2CC[NH+](CCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925509597 995634567 /nfs/dbraw/zinc/63/45/67/995634567.db2.gz YJNXGLLFQYYMIB-ILACCBGSSA-N 2 2 356.514 1.403 20 10 FDCDLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144103 1007436969 /nfs/dbraw/zinc/43/69/69/1007436969.db2.gz MJAJZJJYSXTGKS-OALUTQOASA-N 2 2 361.486 1.591 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)cc2=O ZINC000150759809 524484414 /nfs/dbraw/zinc/48/44/14/524484414.db2.gz HGMVPTUEZWOQCZ-CQSZACIVSA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)cc2=O ZINC000150759809 524484420 /nfs/dbraw/zinc/48/44/20/524484420.db2.gz HGMVPTUEZWOQCZ-CQSZACIVSA-N 2 2 373.457 1.529 20 10 FDCDLP CN(C)c1ccc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000179281391 525552712 /nfs/dbraw/zinc/55/27/12/525552712.db2.gz DSANXBGPYPYFLD-UHFFFAOYSA-N 2 2 361.534 1.920 20 10 FDCDLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034047 525793199 /nfs/dbraw/zinc/79/31/99/525793199.db2.gz OGLUWFLDCBQYHV-ICSRJNTNSA-N 2 2 374.529 1.726 20 10 FDCDLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034064 525794179 /nfs/dbraw/zinc/79/41/79/525794179.db2.gz OGLUWFLDCBQYHV-AZUAARDMSA-N 2 2 374.529 1.726 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000775643830 970764053 /nfs/dbraw/zinc/76/40/53/970764053.db2.gz VFOOIINVQREQQB-FQEVSTJZSA-N 2 2 372.513 1.262 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[NH+](C)C)cc1 ZINC000891248374 774097030 /nfs/dbraw/zinc/09/70/30/774097030.db2.gz LZFWEYXGABUIQE-AEFFLSMTSA-N 2 2 355.486 1.931 20 10 FDCDLP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000788507570 932718462 /nfs/dbraw/zinc/71/84/62/932718462.db2.gz ROKPRJSJIKOOQF-GOSISDBHSA-N 2 2 372.517 1.867 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000818967623 943384913 /nfs/dbraw/zinc/38/49/13/943384913.db2.gz XCTIUPSSGJPDKU-RVKKMQEKSA-N 2 2 365.493 1.984 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000818967623 943384919 /nfs/dbraw/zinc/38/49/19/943384919.db2.gz XCTIUPSSGJPDKU-RVKKMQEKSA-N 2 2 365.493 1.984 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2F)CC1 ZINC000846673588 951437528 /nfs/dbraw/zinc/43/75/28/951437528.db2.gz CRLUFUVKYCCPPD-UHFFFAOYSA-N 2 2 358.408 1.568 20 10 FDCDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844878 951648053 /nfs/dbraw/zinc/64/80/53/951648053.db2.gz IWJLUDARYWYKNW-APWZRJJASA-N 2 2 351.491 1.113 20 10 FDCDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844878 951648055 /nfs/dbraw/zinc/64/80/55/951648055.db2.gz IWJLUDARYWYKNW-APWZRJJASA-N 2 2 351.491 1.113 20 10 FDCDLP O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925488390 969051972 /nfs/dbraw/zinc/05/19/72/969051972.db2.gz SVWDUDLUTVCLQE-SFHVURJKSA-N 2 2 363.527 1.686 20 10 FDCDLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127240 981846535 /nfs/dbraw/zinc/84/65/35/981846535.db2.gz VMIGGXLDZXKXIX-LBPRGKRZSA-N 2 2 370.291 1.832 20 10 FDCDLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127240 981846545 /nfs/dbraw/zinc/84/65/45/981846545.db2.gz VMIGGXLDZXKXIX-LBPRGKRZSA-N 2 2 370.291 1.832 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858225764 981927483 /nfs/dbraw/zinc/92/74/83/981927483.db2.gz JAYGCVMHFAPDGV-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858225764 981927486 /nfs/dbraw/zinc/92/74/86/981927486.db2.gz JAYGCVMHFAPDGV-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000285057195 999898931 /nfs/dbraw/zinc/89/89/31/999898931.db2.gz ISSUFVFFEJFEJF-DLBZAZTESA-N 2 2 361.486 1.593 20 10 FDCDLP Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000779019496 1007145596 /nfs/dbraw/zinc/14/55/96/1007145596.db2.gz XQUOTSAUDOSBKR-LBPRGKRZSA-N 2 2 370.291 1.888 20 10 FDCDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1O ZINC000372616075 537989809 /nfs/dbraw/zinc/98/98/09/537989809.db2.gz DPTSSCVEYVZKKO-KBPBESRZSA-N 2 2 355.429 1.728 20 10 FDCDLP COC(=O)c1c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cc(F)ccc2n1C ZINC000894200963 810883860 /nfs/dbraw/zinc/88/38/60/810883860.db2.gz TWQULVXLMBHWOP-CQSZACIVSA-N 2 2 363.433 1.650 20 10 FDCDLP OCC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817892499 943066990 /nfs/dbraw/zinc/06/69/90/943066990.db2.gz ANVWVTZRSSUHPL-NHCUHLMSSA-N 2 2 359.514 1.752 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2)CC1 ZINC000775685326 971375100 /nfs/dbraw/zinc/37/51/00/971375100.db2.gz HERZYTWPUORAPY-JOCHJYFZSA-N 3 2 371.573 1.650 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1 ZINC000775685326 971375108 /nfs/dbraw/zinc/37/51/08/971375108.db2.gz HERZYTWPUORAPY-JOCHJYFZSA-N 3 2 371.573 1.650 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370447 982098612 /nfs/dbraw/zinc/09/86/12/982098612.db2.gz LMIMNWDSBXKWHN-IRXDYDNUSA-N 2 2 363.502 1.848 20 10 FDCDLP COc1c(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760364 989775261 /nfs/dbraw/zinc/77/52/61/989775261.db2.gz PTVXLBMAGCMAAX-OFQRWUPVSA-N 2 2 365.430 1.993 20 10 FDCDLP COc1c(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760364 989775262 /nfs/dbraw/zinc/77/52/62/989775262.db2.gz PTVXLBMAGCMAAX-OFQRWUPVSA-N 2 2 365.430 1.993 20 10 FDCDLP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(O)c1 ZINC000796501384 1016927934 /nfs/dbraw/zinc/92/79/34/1016927934.db2.gz CZVVRWYFGAAHOR-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(O)c1 ZINC000796501384 1016927936 /nfs/dbraw/zinc/92/79/36/1016927936.db2.gz CZVVRWYFGAAHOR-ALOPSCKCSA-N 2 2 361.486 1.964 20 10 FDCDLP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144100 1007437036 /nfs/dbraw/zinc/43/70/36/1007437036.db2.gz MJAJZJJYSXTGKS-MOPGFXCFSA-N 2 2 361.486 1.591 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)NCCn3cc[nH+]c3)cc2F)CC1 ZINC000106512244 525733984 /nfs/dbraw/zinc/73/39/84/525733984.db2.gz VXNSPKXFPCQIND-UHFFFAOYSA-N 2 2 374.464 1.664 20 10 FDCDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367617988 537966362 /nfs/dbraw/zinc/96/63/62/537966362.db2.gz OCMRMYDPJWIXMN-SJLPKXTDSA-N 2 2 351.466 1.979 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[NH+](C)C)cc1 ZINC000891247508 774094140 /nfs/dbraw/zinc/09/41/40/774094140.db2.gz HVTVKGFRTGPPNT-VQIMIIECSA-N 2 2 355.486 1.931 20 10 FDCDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729346721 811168352 /nfs/dbraw/zinc/16/83/52/811168352.db2.gz CIEUNYZGBXTKRK-FQEVSTJZSA-N 2 2 374.529 1.808 20 10 FDCDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729346721 811168359 /nfs/dbraw/zinc/16/83/59/811168359.db2.gz CIEUNYZGBXTKRK-FQEVSTJZSA-N 2 2 374.529 1.808 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)cc2F)CC1 ZINC000817902077 943071685 /nfs/dbraw/zinc/07/16/85/943071685.db2.gz HSZUHTCURAWRQL-SJLPKXTDSA-N 3 2 364.509 1.824 20 10 FDCDLP CC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844190388 947829697 /nfs/dbraw/zinc/82/96/97/947829697.db2.gz LQOLGEHWRVYNBZ-FQEVSTJZSA-N 2 2 360.502 1.466 20 10 FDCDLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217760 947844248 /nfs/dbraw/zinc/84/42/48/947844248.db2.gz MFIYZQQEOOEYKE-KRWDZBQOSA-N 2 2 360.502 1.275 20 10 FDCDLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217760 947844257 /nfs/dbraw/zinc/84/42/57/947844257.db2.gz MFIYZQQEOOEYKE-KRWDZBQOSA-N 2 2 360.502 1.275 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1F ZINC000844221303 947853774 /nfs/dbraw/zinc/85/37/74/947853774.db2.gz MMTOHGMHDQPOQI-PMACEKPBSA-N 2 2 373.472 1.887 20 10 FDCDLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775834982 972956603 /nfs/dbraw/zinc/95/66/03/972956603.db2.gz XNVNPIGXQGFEJR-INIZCTEOSA-N 2 2 362.518 1.630 20 10 FDCDLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC000880262975 995766613 /nfs/dbraw/zinc/76/66/13/995766613.db2.gz UVOXNOCAKSTNDU-QGZVFWFLSA-N 2 2 367.497 1.975 20 10 FDCDLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC000880262975 995766619 /nfs/dbraw/zinc/76/66/19/995766619.db2.gz UVOXNOCAKSTNDU-QGZVFWFLSA-N 2 2 367.497 1.975 20 10 FDCDLP Cc1cccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1O ZINC000180356085 525695731 /nfs/dbraw/zinc/69/57/31/525695731.db2.gz OEDPZVONZGNUGX-UHFFFAOYSA-N 2 2 369.469 1.649 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000186063555 536224764 /nfs/dbraw/zinc/22/47/64/536224764.db2.gz OIYKQYDPGHQLAX-DZGCQCFKSA-N 2 2 351.422 1.115 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)cc1 ZINC000292167617 537712746 /nfs/dbraw/zinc/71/27/46/537712746.db2.gz PFLWKWQADQJOCN-NRFANRHFSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)cc1 ZINC000292167617 537712747 /nfs/dbraw/zinc/71/27/47/537712747.db2.gz PFLWKWQADQJOCN-NRFANRHFSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)CC2)cc1 ZINC000292167617 537712750 /nfs/dbraw/zinc/71/27/50/537712750.db2.gz PFLWKWQADQJOCN-NRFANRHFSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)cc1 ZINC000292167617 537712752 /nfs/dbraw/zinc/71/27/52/537712752.db2.gz PFLWKWQADQJOCN-NRFANRHFSA-N 2 2 372.513 1.371 20 10 FDCDLP COc1cc(C)cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000895685673 822705085 /nfs/dbraw/zinc/70/50/85/822705085.db2.gz MVEBURGPFOGFTL-GOSISDBHSA-N 2 2 363.502 1.595 20 10 FDCDLP OCC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817892500 943066788 /nfs/dbraw/zinc/06/67/88/943066788.db2.gz ANVWVTZRSSUHPL-RTWAWAEBSA-N 2 2 359.514 1.752 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)cc2F)CC1 ZINC000817902076 943071910 /nfs/dbraw/zinc/07/19/10/943071910.db2.gz HSZUHTCURAWRQL-FUHWJXTLSA-N 3 2 364.509 1.824 20 10 FDCDLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169034 943457828 /nfs/dbraw/zinc/45/78/28/943457828.db2.gz XUKBZXZMRMOQHB-QGZVFWFLSA-N 2 2 372.469 1.325 20 10 FDCDLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169034 943457831 /nfs/dbraw/zinc/45/78/31/943457831.db2.gz XUKBZXZMRMOQHB-QGZVFWFLSA-N 2 2 372.469 1.325 20 10 FDCDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200321 943473075 /nfs/dbraw/zinc/47/30/75/943473075.db2.gz NQCRMUXGHHLWRI-JOCHJYFZSA-N 3 2 372.557 1.763 20 10 FDCDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200321 943473079 /nfs/dbraw/zinc/47/30/79/943473079.db2.gz NQCRMUXGHHLWRI-JOCHJYFZSA-N 3 2 372.557 1.763 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000844190378 947826574 /nfs/dbraw/zinc/82/65/74/947826574.db2.gz LBONFOYCXQGSFJ-LPHOPBHVSA-N 2 2 360.502 1.322 20 10 FDCDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)ccc1O ZINC000854232397 968703651 /nfs/dbraw/zinc/70/36/51/968703651.db2.gz OKLAHQBAIXORMW-QMMMGPOBSA-N 2 2 353.220 1.960 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)C[NH+]3CC(C)(C)C3)CC2)cc1 ZINC000847300478 975436264 /nfs/dbraw/zinc/43/62/64/975436264.db2.gz AVNUEPAVJVKRDC-UHFFFAOYSA-N 2 2 374.529 1.665 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000924581058 994850107 /nfs/dbraw/zinc/85/01/07/994850107.db2.gz ZFBCFLBSRJKOGB-ROUUACIJSA-N 2 2 374.529 1.854 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)cc2=O ZINC000139934140 524299983 /nfs/dbraw/zinc/29/99/83/524299983.db2.gz UJMKVUCIIMTVRF-CZUORRHYSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)cc2=O ZINC000139934140 524299992 /nfs/dbraw/zinc/29/99/92/524299992.db2.gz UJMKVUCIIMTVRF-CZUORRHYSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)cc2=O ZINC000139934140 524300004 /nfs/dbraw/zinc/30/00/04/524300004.db2.gz UJMKVUCIIMTVRF-CZUORRHYSA-N 2 2 373.457 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)cc2=O ZINC000139934140 524300016 /nfs/dbraw/zinc/30/00/16/524300016.db2.gz UJMKVUCIIMTVRF-CZUORRHYSA-N 2 2 373.457 1.528 20 10 FDCDLP Oc1ccccc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506138 524495843 /nfs/dbraw/zinc/49/58/43/524495843.db2.gz MBUOBGDRXYECFD-QGZVFWFLSA-N 2 2 369.469 1.777 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034091 525794099 /nfs/dbraw/zinc/79/40/99/525794099.db2.gz UEPFDFATXYFITC-FUHWJXTLSA-N 2 2 360.502 1.336 20 10 FDCDLP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000246368408 536937332 /nfs/dbraw/zinc/93/73/32/536937332.db2.gz JASJWUHEGWAJDM-HKUYNNGSSA-N 2 2 374.529 1.726 20 10 FDCDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)CC1 ZINC000278207418 537281075 /nfs/dbraw/zinc/28/10/75/537281075.db2.gz JTFKJALPYGTMTH-HNNXBMFYSA-N 2 2 364.446 1.521 20 10 FDCDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)CC1 ZINC000278207418 537281082 /nfs/dbraw/zinc/28/10/82/537281082.db2.gz JTFKJALPYGTMTH-HNNXBMFYSA-N 2 2 364.446 1.521 20 10 FDCDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(O)c1 ZINC000363860023 537346548 /nfs/dbraw/zinc/34/65/48/537346548.db2.gz TXCJAHZLSIDESS-SJLPKXTDSA-N 2 2 361.486 1.674 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000283543016 537381480 /nfs/dbraw/zinc/38/14/80/537381480.db2.gz SJPKBCOUSXMPLA-FARCUNLSSA-N 2 2 355.442 1.370 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000891247081 774091084 /nfs/dbraw/zinc/09/10/84/774091084.db2.gz HEMUERWSRYLXFA-APWZRJJASA-N 2 2 355.486 1.931 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000279156502 808525460 /nfs/dbraw/zinc/52/54/60/808525460.db2.gz FUMBXRPBALZMHH-UHFFFAOYSA-N 2 2 371.485 1.679 20 10 FDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817892371 943066840 /nfs/dbraw/zinc/06/68/40/943066840.db2.gz MVXJMHBQEFKYPV-CRAIPNDOSA-N 2 2 351.516 1.542 20 10 FDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Br)c(F)cc1O ZINC001144306654 948613896 /nfs/dbraw/zinc/61/38/96/948613896.db2.gz KXATXLJWXOFIEG-UHFFFAOYSA-N 2 2 360.271 1.973 20 10 FDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Br)c(F)cc1O ZINC001144306654 948613902 /nfs/dbraw/zinc/61/39/02/948613902.db2.gz KXATXLJWXOFIEG-UHFFFAOYSA-N 2 2 360.271 1.973 20 10 FDCDLP C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775696475 971546443 /nfs/dbraw/zinc/54/64/43/971546443.db2.gz MHMRDRUTBLDJFC-INIZCTEOSA-N 2 2 365.543 1.836 20 10 FDCDLP C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775696475 971546452 /nfs/dbraw/zinc/54/64/52/971546452.db2.gz MHMRDRUTBLDJFC-INIZCTEOSA-N 2 2 365.543 1.836 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674630 951438704 /nfs/dbraw/zinc/43/87/04/951438704.db2.gz QYIGCXLSFUFYTQ-VQTJNVASSA-N 2 2 372.513 1.464 20 10 FDCDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844881 951648013 /nfs/dbraw/zinc/64/80/13/951648013.db2.gz IWJLUDARYWYKNW-VQIMIIECSA-N 2 2 351.491 1.113 20 10 FDCDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844881 951648016 /nfs/dbraw/zinc/64/80/16/951648016.db2.gz IWJLUDARYWYKNW-VQIMIIECSA-N 2 2 351.491 1.113 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)N4CCCC4)CC3)cc2)CC1 ZINC000775645819 970755366 /nfs/dbraw/zinc/75/53/66/970755366.db2.gz QVAFYXBJGKBKNO-UHFFFAOYSA-N 2 2 371.529 1.772 20 10 FDCDLP Cc1cc(Br)c(O)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000863647722 973088363 /nfs/dbraw/zinc/08/83/63/973088363.db2.gz CYQMWFSOMWFIRK-UHFFFAOYSA-N 2 2 353.220 1.707 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000881851567 980214156 /nfs/dbraw/zinc/21/41/56/980214156.db2.gz MVGUWRYZIZXCJL-QGZVFWFLSA-N 2 2 353.470 1.514 20 10 FDCDLP Oc1cc2c(cc1C[NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)OCO2 ZINC000883371864 982100705 /nfs/dbraw/zinc/10/07/05/982100705.db2.gz CBSWJUYPOCVCLR-INIZCTEOSA-N 2 2 363.458 1.007 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)CC2)cc1 ZINC000872197414 987508131 /nfs/dbraw/zinc/50/81/31/987508131.db2.gz NFFMAFBTNIWOCA-SFHVURJKSA-N 2 2 365.518 1.319 20 10 FDCDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631097 989686754 /nfs/dbraw/zinc/68/67/54/989686754.db2.gz ONOKGCYKIDEURV-FUHWJXTLSA-N 2 2 363.502 1.800 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@]3(C1)CCC[NH+](C)C3)cc2=O ZINC000293022747 537297137 /nfs/dbraw/zinc/29/71/37/537297137.db2.gz QVOHEOZBVRFILZ-LJQANCHMSA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@]3(C1)CCC[NH+](C)C3)cc2=O ZINC000293022747 537297143 /nfs/dbraw/zinc/29/71/43/537297143.db2.gz QVOHEOZBVRFILZ-LJQANCHMSA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@]3(C1)CCC[N@H+](C)C3)cc2=O ZINC000293022747 537297148 /nfs/dbraw/zinc/29/71/48/537297148.db2.gz QVOHEOZBVRFILZ-LJQANCHMSA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@]3(C1)CCC[N@@H+](C)C3)cc2=O ZINC000293022747 537297151 /nfs/dbraw/zinc/29/71/51/537297151.db2.gz QVOHEOZBVRFILZ-LJQANCHMSA-N 2 2 373.457 1.529 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000299326430 537549891 /nfs/dbraw/zinc/54/98/91/537549891.db2.gz GAYUDMAPLQYXJN-UHFFFAOYSA-N 2 2 372.473 1.013 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)cc2=O ZINC000277243404 781177290 /nfs/dbraw/zinc/17/72/90/781177290.db2.gz PQCDBEFRVOUJCO-AWEZNQCLSA-N 2 2 361.446 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)cc2=O ZINC000277243404 781177293 /nfs/dbraw/zinc/17/72/93/781177293.db2.gz PQCDBEFRVOUJCO-AWEZNQCLSA-N 2 2 361.446 1.528 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000899099152 845793724 /nfs/dbraw/zinc/79/37/24/845793724.db2.gz WELLVSNOXXWDMY-MAUKXSAKSA-N 2 2 356.474 1.476 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732820041 920177365 /nfs/dbraw/zinc/17/73/65/920177365.db2.gz XYLYLEXNWLXGGI-QGZVFWFLSA-N 2 2 359.518 1.720 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732820041 920177370 /nfs/dbraw/zinc/17/73/70/920177370.db2.gz XYLYLEXNWLXGGI-QGZVFWFLSA-N 2 2 359.518 1.720 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNc3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000740867874 925477852 /nfs/dbraw/zinc/47/78/52/925477852.db2.gz FKMSLGOZYWOAFQ-UHFFFAOYSA-N 2 2 356.474 1.785 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061546 943400983 /nfs/dbraw/zinc/40/09/83/943400983.db2.gz WHVWOPCCQVQQFY-MJGOQNOKSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061546 943400991 /nfs/dbraw/zinc/40/09/91/943400991.db2.gz WHVWOPCCQVQQFY-MJGOQNOKSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NC[C@H]3CCCO3)CC2)cc1 ZINC000849016321 977291785 /nfs/dbraw/zinc/29/17/85/977291785.db2.gz BYCNZPDYLFDNFU-GOSISDBHSA-N 2 2 361.490 1.110 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000858126655 981846820 /nfs/dbraw/zinc/84/68/20/981846820.db2.gz FKHQAKPJSHEEHN-CYBMUJFWSA-N 2 2 354.445 1.708 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000858126655 981846823 /nfs/dbraw/zinc/84/68/23/981846823.db2.gz FKHQAKPJSHEEHN-CYBMUJFWSA-N 2 2 354.445 1.708 20 10 FDCDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372219 982101361 /nfs/dbraw/zinc/10/13/61/982101361.db2.gz REVRCGGVYSXHPX-KRWDZBQOSA-N 2 2 353.894 1.932 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCNC(=O)CC3)CC2)cc1 ZINC000873009111 988405135 /nfs/dbraw/zinc/40/51/35/988405135.db2.gz HMRVASSENZTZNX-KRWDZBQOSA-N 2 2 360.502 1.466 20 10 FDCDLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c(F)ccc(O)c1O ZINC000295366985 988674935 /nfs/dbraw/zinc/67/49/35/988674935.db2.gz WKJDGOQXSAXEMX-UHFFFAOYSA-N 2 2 374.416 1.574 20 10 FDCDLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000285057202 999898969 /nfs/dbraw/zinc/89/89/69/999898969.db2.gz ISSUFVFFEJFEJF-IRXDYDNUSA-N 2 2 361.486 1.593 20 10 FDCDLP COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1O ZINC000184701046 536177127 /nfs/dbraw/zinc/17/71/27/536177127.db2.gz OUIOFIDLEUDVOG-OAHLLOKOSA-N 2 2 367.877 1.793 20 10 FDCDLP COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1O ZINC000184701046 536177132 /nfs/dbraw/zinc/17/71/32/536177132.db2.gz OUIOFIDLEUDVOG-OAHLLOKOSA-N 2 2 367.877 1.793 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)cc2=O ZINC000293022743 537297684 /nfs/dbraw/zinc/29/76/84/537297684.db2.gz QVOHEOZBVRFILZ-IBGZPJMESA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)cc2=O ZINC000293022743 537297691 /nfs/dbraw/zinc/29/76/91/537297691.db2.gz QVOHEOZBVRFILZ-IBGZPJMESA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@]3(C1)CCC[N@H+](C)C3)cc2=O ZINC000293022743 537297699 /nfs/dbraw/zinc/29/76/99/537297699.db2.gz QVOHEOZBVRFILZ-IBGZPJMESA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@]3(C1)CCC[N@@H+](C)C3)cc2=O ZINC000293022743 537297705 /nfs/dbraw/zinc/29/77/05/537297705.db2.gz QVOHEOZBVRFILZ-IBGZPJMESA-N 2 2 373.457 1.529 20 10 FDCDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(O)c1 ZINC000363860026 537346113 /nfs/dbraw/zinc/34/61/13/537346113.db2.gz TXCJAHZLSIDESS-WMZOPIPTSA-N 2 2 361.486 1.674 20 10 FDCDLP C/C(=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000891245592 774080382 /nfs/dbraw/zinc/08/03/82/774080382.db2.gz HHWVHIJZBYVWNI-QMEWPPBRSA-N 2 2 374.529 1.750 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[NH+](C)C)cc1 ZINC000891248376 774097584 /nfs/dbraw/zinc/09/75/84/774097584.db2.gz LZFWEYXGABUIQE-FUHWJXTLSA-N 2 2 355.486 1.931 20 10 FDCDLP CN(C)c1ccc([C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000908460670 855446350 /nfs/dbraw/zinc/44/63/50/855446350.db2.gz XDODYBQZRIHWJE-QGZVFWFLSA-N 2 2 365.503 1.171 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000732923571 920311405 /nfs/dbraw/zinc/31/14/05/920311405.db2.gz DPMFEGFAVPNFBN-IBGZPJMESA-N 2 2 360.502 1.418 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000732923571 920311420 /nfs/dbraw/zinc/31/14/20/920311420.db2.gz DPMFEGFAVPNFBN-IBGZPJMESA-N 2 2 360.502 1.418 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817895134 943069166 /nfs/dbraw/zinc/06/91/66/943069166.db2.gz RCLOXUQZSQLNRK-NHCUHLMSSA-N 2 2 374.529 1.174 20 10 FDCDLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939171 943088700 /nfs/dbraw/zinc/08/87/00/943088700.db2.gz ACOWWIIBAMKDQL-MAUKXSAKSA-N 3 2 362.518 1.663 20 10 FDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944342 943090486 /nfs/dbraw/zinc/09/04/86/943090486.db2.gz ZLVKJKHRBXKXFC-UGSOOPFHSA-N 2 2 362.499 1.751 20 10 FDCDLP C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775696477 971546103 /nfs/dbraw/zinc/54/61/03/971546103.db2.gz MHMRDRUTBLDJFC-MRXNPFEDSA-N 2 2 365.543 1.836 20 10 FDCDLP C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775696477 971546109 /nfs/dbraw/zinc/54/61/09/971546109.db2.gz MHMRDRUTBLDJFC-MRXNPFEDSA-N 2 2 365.543 1.836 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2F)CC1 ZINC000863553318 973009900 /nfs/dbraw/zinc/00/99/00/973009900.db2.gz ZFKDIZSFTZTCQM-GOSISDBHSA-N 3 2 364.509 1.514 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3cc(N4CCOCC4)nc[nH+]3)cc2)CC1 ZINC000882880579 981770236 /nfs/dbraw/zinc/77/02/36/981770236.db2.gz ZBRBNBWIXSYMGZ-UHFFFAOYSA-N 2 2 368.485 1.677 20 10 FDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cn1cccn1 ZINC000873044864 988471715 /nfs/dbraw/zinc/47/17/15/988471715.db2.gz XNUSCZYVMLAFCY-OALUTQOASA-N 2 2 356.470 1.893 20 10 FDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cn1cccn1 ZINC000873044864 988471725 /nfs/dbraw/zinc/47/17/25/988471725.db2.gz XNUSCZYVMLAFCY-OALUTQOASA-N 2 2 356.470 1.893 20 10 FDCDLP COc1c(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760365 989775118 /nfs/dbraw/zinc/77/51/18/989775118.db2.gz PTVXLBMAGCMAAX-SQWLQELKSA-N 2 2 365.430 1.993 20 10 FDCDLP COc1c(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760365 989775121 /nfs/dbraw/zinc/77/51/21/989775121.db2.gz PTVXLBMAGCMAAX-SQWLQELKSA-N 2 2 365.430 1.993 20 10 FDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778707 995763975 /nfs/dbraw/zinc/76/39/75/995763975.db2.gz WTOXYWMEHHRXPC-CRAIPNDOSA-N 2 2 360.502 1.245 20 10 FDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093045590 1007510730 /nfs/dbraw/zinc/51/07/30/1007510730.db2.gz KSGXOWHTCKFBDB-UHFFFAOYSA-N 2 2 374.529 1.509 20 10 FDCDLP O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1CC[NH+]1CCOCC1 ZINC000178905055 525502131 /nfs/dbraw/zinc/50/21/31/525502131.db2.gz MKASYWRYZBRSBP-HNNXBMFYSA-N 2 2 353.850 1.068 20 10 FDCDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)CC1 ZINC000294778073 676397118 /nfs/dbraw/zinc/39/71/18/676397118.db2.gz CIGCRBONWNDXSP-UHFFFAOYSA-N 2 2 351.422 1.525 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000895291503 822411706 /nfs/dbraw/zinc/41/17/06/822411706.db2.gz MJRPYMQONQSLFE-SFHVURJKSA-N 2 2 358.490 1.631 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)C3(O)CCC3)CC2)cc1 ZINC000905029123 851625930 /nfs/dbraw/zinc/62/59/30/851625930.db2.gz YVBQDEQQIPLGIB-LJQANCHMSA-N 2 2 363.502 1.073 20 10 FDCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817946471 943090391 /nfs/dbraw/zinc/09/03/91/943090391.db2.gz XXRPTVXDYYNYSZ-SECBINFHSA-N 2 2 360.227 1.376 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000818960084 943343122 /nfs/dbraw/zinc/34/31/22/943343122.db2.gz XKWQSYGGDQBJFS-HKUYNNGSSA-N 2 2 373.501 1.053 20 10 FDCDLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1 ZINC001144516445 949807952 /nfs/dbraw/zinc/80/79/52/949807952.db2.gz YKSGOTIUVTUVDH-ZDUSSCGKSA-N 2 2 364.442 1.653 20 10 FDCDLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1 ZINC001144516445 949807968 /nfs/dbraw/zinc/80/79/68/949807968.db2.gz YKSGOTIUVTUVDH-ZDUSSCGKSA-N 2 2 364.442 1.653 20 10 FDCDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000775497486 968918916 /nfs/dbraw/zinc/91/89/16/968918916.db2.gz SLZZRCFBBCYZCL-AWEZNQCLSA-N 2 2 370.291 1.969 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000858839430 982324301 /nfs/dbraw/zinc/32/43/01/982324301.db2.gz DSCSXXACEDLUDJ-UHFFFAOYSA-N 2 2 357.458 1.139 20 10 FDCDLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC000880262974 995765821 /nfs/dbraw/zinc/76/58/21/995765821.db2.gz UVOXNOCAKSTNDU-KRWDZBQOSA-N 2 2 367.497 1.975 20 10 FDCDLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC000880262974 995765830 /nfs/dbraw/zinc/76/58/30/995765830.db2.gz UVOXNOCAKSTNDU-KRWDZBQOSA-N 2 2 367.497 1.975 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)cc2=O ZINC000265479233 997800969 /nfs/dbraw/zinc/80/09/69/997800969.db2.gz KMQCBTAPYHIKET-UHFFFAOYSA-N 2 2 370.413 1.714 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)Cc3c[nH+]cn3C)CC2)cc1 ZINC000188082010 1007683959 /nfs/dbraw/zinc/68/39/59/1007683959.db2.gz SPRAZHQBNKBZJP-UHFFFAOYSA-N 2 2 371.485 1.300 20 10 FDCDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821100 525004114 /nfs/dbraw/zinc/00/41/14/525004114.db2.gz XOSRXRWBQLBLAE-HXUWFJFHSA-N 2 2 372.513 1.262 20 10 FDCDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821100 525004128 /nfs/dbraw/zinc/00/41/28/525004128.db2.gz XOSRXRWBQLBLAE-HXUWFJFHSA-N 2 2 372.513 1.262 20 10 FDCDLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367613242 537966938 /nfs/dbraw/zinc/96/69/38/537966938.db2.gz BZTKRMIXJAHJGE-RDJZCZTQSA-N 2 2 365.449 1.505 20 10 FDCDLP COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437268 537981011 /nfs/dbraw/zinc/98/10/11/537981011.db2.gz DRZKNKSDUSKJJB-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437268 537981017 /nfs/dbraw/zinc/98/10/17/537981017.db2.gz DRZKNKSDUSKJJB-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000289260129 676112292 /nfs/dbraw/zinc/11/22/92/676112292.db2.gz FPHQKULVOATKOF-UHFFFAOYSA-N 2 2 352.475 1.960 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)C3(O)CCC3)CC2)cc1 ZINC000905029091 851625828 /nfs/dbraw/zinc/62/58/28/851625828.db2.gz YVBQDEQQIPLGIB-IBGZPJMESA-N 2 2 363.502 1.073 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000813332081 941366536 /nfs/dbraw/zinc/36/65/36/941366536.db2.gz ZTAQHYXBYUQYIV-MRXNPFEDSA-N 2 2 363.502 1.848 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000818967622 943385213 /nfs/dbraw/zinc/38/52/13/943385213.db2.gz XCTIUPSSGJPDKU-RKVPGOIHSA-N 2 2 365.493 1.984 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000818967622 943385221 /nfs/dbraw/zinc/38/52/21/943385221.db2.gz XCTIUPSSGJPDKU-RKVPGOIHSA-N 2 2 365.493 1.984 20 10 FDCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775695846 971546413 /nfs/dbraw/zinc/54/64/13/971546413.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 3 2 360.546 1.717 20 10 FDCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775695846 971546421 /nfs/dbraw/zinc/54/64/21/971546421.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 3 2 360.546 1.717 20 10 FDCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853777009 968306390 /nfs/dbraw/zinc/30/63/90/968306390.db2.gz YDMCCPBHKDRSAK-UHFFFAOYSA-N 2 2 359.518 1.746 20 10 FDCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853777009 968306404 /nfs/dbraw/zinc/30/64/04/968306404.db2.gz YDMCCPBHKDRSAK-UHFFFAOYSA-N 2 2 359.518 1.746 20 10 FDCDLP COC1CCN(c2ccc(C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)cc2)CC1 ZINC000294776285 988536525 /nfs/dbraw/zinc/53/65/25/988536525.db2.gz ACKOFXZNKYFOCW-UHFFFAOYSA-N 2 2 374.529 1.508 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCNC(=O)C3)CC2)cc1 ZINC000876899981 992959020 /nfs/dbraw/zinc/95/90/20/992959020.db2.gz COJPMVAPCKARIY-KRWDZBQOSA-N 2 2 360.502 1.466 20 10 FDCDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000887133395 996959600 /nfs/dbraw/zinc/95/96/00/996959600.db2.gz ZWLCOJXRNNMITI-QGZVFWFLSA-N 2 2 367.497 1.975 20 10 FDCDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000887133395 996959602 /nfs/dbraw/zinc/95/96/02/996959602.db2.gz ZWLCOJXRNNMITI-QGZVFWFLSA-N 2 2 367.497 1.975 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC000172197382 524154059 /nfs/dbraw/zinc/15/40/59/524154059.db2.gz GNBWUTVVDISQFI-QGZVFWFLSA-N 2 2 360.502 1.227 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC000172197382 524154066 /nfs/dbraw/zinc/15/40/66/524154066.db2.gz GNBWUTVVDISQFI-QGZVFWFLSA-N 2 2 360.502 1.227 20 10 FDCDLP O=C1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CN1CC[NH+]1CCOCC1 ZINC000191135534 537198359 /nfs/dbraw/zinc/19/83/59/537198359.db2.gz MNSZVVYNGUFLHL-GFCCVEGCSA-N 2 2 371.840 1.207 20 10 FDCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441593 537328476 /nfs/dbraw/zinc/32/84/76/537328476.db2.gz WBTPMUIOYCPDBB-ZDUSSCGKSA-N 2 2 353.419 1.900 20 10 FDCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441593 537328482 /nfs/dbraw/zinc/32/84/82/537328482.db2.gz WBTPMUIOYCPDBB-ZDUSSCGKSA-N 2 2 353.419 1.900 20 10 FDCDLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377585611 537983713 /nfs/dbraw/zinc/98/37/13/537983713.db2.gz VBDCEXQFCCJNMF-QGZVFWFLSA-N 2 2 363.458 1.403 20 10 FDCDLP COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1O ZINC000894751890 818405548 /nfs/dbraw/zinc/40/55/48/818405548.db2.gz BFNOCASOJZCYOP-ALOPSCKCSA-N 2 2 361.486 1.882 20 10 FDCDLP COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1O ZINC000894751890 818405553 /nfs/dbraw/zinc/40/55/53/818405553.db2.gz BFNOCASOJZCYOP-ALOPSCKCSA-N 2 2 361.486 1.882 20 10 FDCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898669832 845008504 /nfs/dbraw/zinc/00/85/04/845008504.db2.gz SKEZNEQDSWUJCU-UHFFFAOYSA-N 2 2 351.472 1.926 20 10 FDCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898669832 845008510 /nfs/dbraw/zinc/00/85/10/845008510.db2.gz SKEZNEQDSWUJCU-UHFFFAOYSA-N 2 2 351.472 1.926 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649666 970906333 /nfs/dbraw/zinc/90/63/33/970906333.db2.gz MRLORPIVLJTFPB-LJQANCHMSA-N 2 2 363.527 1.590 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649666 970906336 /nfs/dbraw/zinc/90/63/36/970906336.db2.gz MRLORPIVLJTFPB-LJQANCHMSA-N 2 2 363.527 1.590 20 10 FDCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943835 943090180 /nfs/dbraw/zinc/09/01/80/943090180.db2.gz VVARFSHVWDMLCW-FZKQIMNGSA-N 2 2 362.499 1.751 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000881853533 980217301 /nfs/dbraw/zinc/21/73/01/980217301.db2.gz ZCSRBJHSQOKSNH-KRWDZBQOSA-N 2 2 353.470 1.514 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127239 981846799 /nfs/dbraw/zinc/84/67/99/981846799.db2.gz VMIGGXLDZXKXIX-GFCCVEGCSA-N 2 2 370.291 1.832 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127239 981846801 /nfs/dbraw/zinc/84/68/01/981846801.db2.gz VMIGGXLDZXKXIX-GFCCVEGCSA-N 2 2 370.291 1.832 20 10 FDCDLP COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883371438 982099680 /nfs/dbraw/zinc/09/96/80/982099680.db2.gz KCMGGFDDAWVCFR-DLBZAZTESA-N 2 2 363.502 1.848 20 10 FDCDLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1O ZINC000109771958 526182785 /nfs/dbraw/zinc/18/27/85/526182785.db2.gz XRJSPRFWJZTFTF-UHFFFAOYSA-N 2 2 354.454 1.958 20 10 FDCDLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1O ZINC000109771958 526182797 /nfs/dbraw/zinc/18/27/97/526182797.db2.gz XRJSPRFWJZTFTF-UHFFFAOYSA-N 2 2 354.454 1.958 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000186063447 536224616 /nfs/dbraw/zinc/22/46/16/536224616.db2.gz FXHPQVVMHQEKDY-HIFRSBDPSA-N 2 2 367.877 1.629 20 10 FDCDLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c1OC ZINC000891926063 780215462 /nfs/dbraw/zinc/21/54/62/780215462.db2.gz KFHRIEQWWACKQL-UHFFFAOYSA-N 2 2 363.458 1.149 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000818967620 943385090 /nfs/dbraw/zinc/38/50/90/943385090.db2.gz XCTIUPSSGJPDKU-DAYGRLMNSA-N 2 2 365.493 1.984 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000818967620 943385095 /nfs/dbraw/zinc/38/50/95/943385095.db2.gz XCTIUPSSGJPDKU-DAYGRLMNSA-N 2 2 365.493 1.984 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2)CC1 ZINC000775685327 971375626 /nfs/dbraw/zinc/37/56/26/971375626.db2.gz HERZYTWPUORAPY-QFIPXVFZSA-N 3 2 371.573 1.650 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1 ZINC000775685327 971375631 /nfs/dbraw/zinc/37/56/31/971375631.db2.gz HERZYTWPUORAPY-QFIPXVFZSA-N 3 2 371.573 1.650 20 10 FDCDLP Oc1cc(O)c(C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001144509704 949786101 /nfs/dbraw/zinc/78/61/01/949786101.db2.gz JCDKJNCJENJCLC-UHFFFAOYSA-N 2 2 356.386 1.046 20 10 FDCDLP Oc1cc(O)c(C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001144509704 949786113 /nfs/dbraw/zinc/78/61/13/949786113.db2.gz JCDKJNCJENJCLC-UHFFFAOYSA-N 2 2 356.386 1.046 20 10 FDCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649823 964844876 /nfs/dbraw/zinc/84/48/76/964844876.db2.gz HRODJSLKWHWRSB-CQSZACIVSA-N 2 2 370.291 1.797 20 10 FDCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649823 964844891 /nfs/dbraw/zinc/84/48/91/964844891.db2.gz HRODJSLKWHWRSB-CQSZACIVSA-N 2 2 370.291 1.797 20 10 FDCDLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883371439 982099991 /nfs/dbraw/zinc/09/99/91/982099991.db2.gz KCMGGFDDAWVCFR-IAGOWNOFSA-N 2 2 363.502 1.848 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C(=O)NCC3(C)C)CC2)cc1 ZINC000924579278 994849074 /nfs/dbraw/zinc/84/90/74/994849074.db2.gz IYLHOYUWFGPEQW-GOSISDBHSA-N 2 2 360.502 1.322 20 10 FDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160184470 524827752 /nfs/dbraw/zinc/82/77/52/524827752.db2.gz QTUXDOABLMFXLP-OAHLLOKOSA-N 2 2 350.459 1.954 20 10 FDCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160184470 524827763 /nfs/dbraw/zinc/82/77/63/524827763.db2.gz QTUXDOABLMFXLP-OAHLLOKOSA-N 2 2 350.459 1.954 20 10 FDCDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034127 525793473 /nfs/dbraw/zinc/79/34/73/525793473.db2.gz UEPFDFATXYFITC-WMZOPIPTSA-N 2 2 360.502 1.336 20 10 FDCDLP COC(=O)c1c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c2cc(F)ccc2n1C ZINC000894200961 810883290 /nfs/dbraw/zinc/88/32/90/810883290.db2.gz TWQULVXLMBHWOP-AWEZNQCLSA-N 2 2 363.433 1.650 20 10 FDCDLP OCC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817892498 943067126 /nfs/dbraw/zinc/06/71/26/943067126.db2.gz ANVWVTZRSSUHPL-LEWJYISDSA-N 2 2 359.514 1.752 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000818942496 943353914 /nfs/dbraw/zinc/35/39/14/943353914.db2.gz FDZXDLYJELFRJX-MRXNPFEDSA-N 2 2 361.408 1.720 20 10 FDCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000819358296 943540517 /nfs/dbraw/zinc/54/05/17/943540517.db2.gz CJXATFBZBKYTHQ-HNNXBMFYSA-N 2 2 355.429 1.346 20 10 FDCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000819358296 943540523 /nfs/dbraw/zinc/54/05/23/943540523.db2.gz CJXATFBZBKYTHQ-HNNXBMFYSA-N 2 2 355.429 1.346 20 10 FDCDLP Cc1cc(O)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000825267519 947100851 /nfs/dbraw/zinc/10/08/51/947100851.db2.gz VELKHVIBXHUPBJ-INIZCTEOSA-N 2 2 353.894 1.850 20 10 FDCDLP Oc1cc(O)c(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001144508721 949781195 /nfs/dbraw/zinc/78/11/95/949781195.db2.gz WFBBAQOBPZMKQV-UHFFFAOYSA-N 2 2 373.457 1.439 20 10 FDCDLP Oc1cc(O)c(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001144508721 949781213 /nfs/dbraw/zinc/78/12/13/949781213.db2.gz WFBBAQOBPZMKQV-UHFFFAOYSA-N 2 2 373.457 1.439 20 10 FDCDLP COCCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774988136 964368267 /nfs/dbraw/zinc/36/82/67/964368267.db2.gz BKCWGSOEUMNIJC-UHFFFAOYSA-N 2 2 353.419 1.900 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256303 966983344 /nfs/dbraw/zinc/98/33/44/966983344.db2.gz WJLLRZPZBQOQNB-ZWKOTPCHSA-N 2 2 374.529 1.726 20 10 FDCDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000863648526 973090871 /nfs/dbraw/zinc/09/08/71/973090871.db2.gz ZLGXZGBAIGJHNN-UHFFFAOYSA-N 2 2 372.429 1.829 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1c(O)cccc1F ZINC000886651345 986453877 /nfs/dbraw/zinc/45/38/77/986453877.db2.gz BZQQTHAIKGJKNJ-JKSUJKDBSA-N 2 2 351.466 1.979 20 10 FDCDLP COc1c(O)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000373206087 992003625 /nfs/dbraw/zinc/00/36/25/992003625.db2.gz MTFVMIAZGXWLSZ-ZDUSSCGKSA-N 2 2 365.430 1.900 20 10 FDCDLP CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779518671 1009657519 /nfs/dbraw/zinc/65/75/19/1009657519.db2.gz ZGWYQXJQVORTIJ-XQDHMALISA-N 2 2 359.470 1.738 20 10 FDCDLP CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779518671 1009657538 /nfs/dbraw/zinc/65/75/38/1009657538.db2.gz ZGWYQXJQVORTIJ-XQDHMALISA-N 2 2 359.470 1.738 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000186064202 536224710 /nfs/dbraw/zinc/22/47/10/536224710.db2.gz VYTZOTFMQXDDGO-UKRRQHHQSA-N 2 2 351.422 1.115 20 10 FDCDLP Cc1cc(O)c(C[NH+]2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000372814567 538038252 /nfs/dbraw/zinc/03/82/52/538038252.db2.gz ZROXQDOHWYWGQZ-KRWDZBQOSA-N 2 2 352.500 1.750 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)cc1 ZINC000277272316 781271347 /nfs/dbraw/zinc/27/13/47/781271347.db2.gz RSKMNVUVCBEHLP-GOSISDBHSA-N 2 2 374.529 1.760 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)cc1 ZINC000277272316 781271353 /nfs/dbraw/zinc/27/13/53/781271353.db2.gz RSKMNVUVCBEHLP-GOSISDBHSA-N 2 2 374.529 1.760 20 10 FDCDLP COc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000271780216 814477334 /nfs/dbraw/zinc/47/73/34/814477334.db2.gz HNTGNDQAKCHALR-HNNXBMFYSA-N 2 2 363.458 1.148 20 10 FDCDLP COc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000271780216 814477338 /nfs/dbraw/zinc/47/73/38/814477338.db2.gz HNTGNDQAKCHALR-HNNXBMFYSA-N 2 2 363.458 1.148 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000775646844 970797634 /nfs/dbraw/zinc/79/76/34/970797634.db2.gz OYNOQTVEKPMFPX-OAQYLSRUSA-N 2 2 358.530 1.735 20 10 FDCDLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169032 943457969 /nfs/dbraw/zinc/45/79/69/943457969.db2.gz XUKBZXZMRMOQHB-KRWDZBQOSA-N 2 2 372.469 1.325 20 10 FDCDLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169032 943457971 /nfs/dbraw/zinc/45/79/71/943457971.db2.gz XUKBZXZMRMOQHB-KRWDZBQOSA-N 2 2 372.469 1.325 20 10 FDCDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778150 951560671 /nfs/dbraw/zinc/56/06/71/951560671.db2.gz RFIFURLACRKNIX-GOSISDBHSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778150 951560682 /nfs/dbraw/zinc/56/06/82/951560682.db2.gz RFIFURLACRKNIX-GOSISDBHSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778150 951560695 /nfs/dbraw/zinc/56/06/95/951560695.db2.gz RFIFURLACRKNIX-GOSISDBHSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778150 951560705 /nfs/dbraw/zinc/56/07/05/951560705.db2.gz RFIFURLACRKNIX-GOSISDBHSA-N 2 2 351.491 1.146 20 10 FDCDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000883161078 981990281 /nfs/dbraw/zinc/99/02/81/981990281.db2.gz JDWZCIGCAODZDC-KRWDZBQOSA-N 2 2 353.482 1.845 20 10 FDCDLP COC1CCN(c2ccc(C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000879355965 994812515 /nfs/dbraw/zinc/81/25/15/994812515.db2.gz SOBGZTSUTLVSNE-UHFFFAOYSA-N 2 2 374.529 1.508 20 10 FDCDLP COC1CCN(c2ccc(C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000879355965 994812529 /nfs/dbraw/zinc/81/25/29/994812529.db2.gz SOBGZTSUTLVSNE-UHFFFAOYSA-N 2 2 374.529 1.508 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879592874 995062567 /nfs/dbraw/zinc/06/25/67/995062567.db2.gz ROALTITVCAVOAV-UHFFFAOYSA-N 2 2 373.545 1.081 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000889659292 998508624 /nfs/dbraw/zinc/50/86/24/998508624.db2.gz UKQDTSYBQPHYCP-INIZCTEOSA-N 2 2 354.458 1.059 20 10 FDCDLP COc1c(O)c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278929776 537342249 /nfs/dbraw/zinc/34/22/49/537342249.db2.gz VZPZUMYLVPJYOQ-CYBMUJFWSA-N 2 2 352.435 1.282 20 10 FDCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000273542937 814796532 /nfs/dbraw/zinc/79/65/32/814796532.db2.gz YSQNECHGTROLKO-DLBZAZTESA-N 2 2 361.486 1.593 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000895291502 822412010 /nfs/dbraw/zinc/41/20/10/822412010.db2.gz MJRPYMQONQSLFE-GOSISDBHSA-N 2 2 358.490 1.631 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCN(C(C)=O)CC3)CC2)cc1 ZINC000237270559 825273971 /nfs/dbraw/zinc/27/39/71/825273971.db2.gz UHLAVSYBGDECGC-UHFFFAOYSA-N 2 2 374.529 1.808 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001169573352 928751609 /nfs/dbraw/zinc/75/16/09/928751609.db2.gz CTMQZOLWDLQMIG-LJQANCHMSA-N 2 2 374.529 1.808 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000844227116 947862750 /nfs/dbraw/zinc/86/27/50/947862750.db2.gz SZQOHOZYMFZEMX-FQEVSTJZSA-N 2 2 374.529 1.841 20 10 FDCDLP O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925488389 969047894 /nfs/dbraw/zinc/04/78/94/969047894.db2.gz SVWDUDLUTVCLQE-GOSISDBHSA-N 2 2 363.527 1.686 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2F)CC1 ZINC000863553319 973010426 /nfs/dbraw/zinc/01/04/26/973010426.db2.gz ZFKDIZSFTZTCQM-SFHVURJKSA-N 3 2 364.509 1.514 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715557 975951974 /nfs/dbraw/zinc/95/19/74/975951974.db2.gz CUIIAXBBYIQXLT-FXAWDEMLSA-N 2 2 372.513 1.418 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715557 975951976 /nfs/dbraw/zinc/95/19/76/975951976.db2.gz CUIIAXBBYIQXLT-FXAWDEMLSA-N 2 2 372.513 1.418 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000881853534 980218603 /nfs/dbraw/zinc/21/86/03/980218603.db2.gz ZCSRBJHSQOKSNH-QGZVFWFLSA-N 2 2 353.470 1.514 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930071741 1002785874 /nfs/dbraw/zinc/78/58/74/1002785874.db2.gz KXKYVZBSMWLHNS-FQEVSTJZSA-N 2 2 372.513 1.437 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930071741 1002785883 /nfs/dbraw/zinc/78/58/83/1002785883.db2.gz KXKYVZBSMWLHNS-FQEVSTJZSA-N 2 2 372.513 1.437 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)CC1 ZINC000775643831 970764487 /nfs/dbraw/zinc/76/44/87/970764487.db2.gz VFOOIINVQREQQB-HXUWFJFHSA-N 2 2 372.513 1.262 20 10 FDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895480 943068435 /nfs/dbraw/zinc/06/84/35/943068435.db2.gz VFZFHSKCPFGDHQ-ZBFHGGJFSA-N 2 2 351.466 1.643 20 10 FDCDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844879 951647938 /nfs/dbraw/zinc/64/79/38/951647938.db2.gz IWJLUDARYWYKNW-LPHOPBHVSA-N 2 2 351.491 1.113 20 10 FDCDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844879 951647941 /nfs/dbraw/zinc/64/79/41/951647941.db2.gz IWJLUDARYWYKNW-LPHOPBHVSA-N 2 2 351.491 1.113 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C)cc12 ZINC001184362320 963543871 /nfs/dbraw/zinc/54/38/71/963543871.db2.gz PNWWZGCBXTUDHM-ZDUSSCGKSA-N 2 2 361.442 1.305 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C)cc12 ZINC001184362320 963543880 /nfs/dbraw/zinc/54/38/80/963543880.db2.gz PNWWZGCBXTUDHM-ZDUSSCGKSA-N 2 2 361.442 1.305 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3[NH2+]CCC3(C)C)CC2)cc1 ZINC000852872160 967679007 /nfs/dbraw/zinc/67/90/07/967679007.db2.gz BUSSLTJVIFCANT-GOSISDBHSA-N 2 2 360.502 1.322 20 10 FDCDLP Cc1cc(C(=O)C[N@H+](C)CCOCC[NH3+])c(C)n1-c1ccc2c(c1)OCO2 ZINC000863555136 973012322 /nfs/dbraw/zinc/01/23/22/973012322.db2.gz OALAFGNYEUTWBE-UHFFFAOYSA-N 2 2 373.453 1.913 20 10 FDCDLP Cc1cc(C(=O)C[N@@H+](C)CCOCC[NH3+])c(C)n1-c1ccc2c(c1)OCO2 ZINC000863555136 973012335 /nfs/dbraw/zinc/01/23/35/973012335.db2.gz OALAFGNYEUTWBE-UHFFFAOYSA-N 2 2 373.453 1.913 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370448 982098308 /nfs/dbraw/zinc/09/83/08/982098308.db2.gz LMIMNWDSBXKWHN-SJORKVTESA-N 2 2 363.502 1.848 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000872256201 987549814 /nfs/dbraw/zinc/54/98/14/987549814.db2.gz QLZKFYVNJVMNLJ-BNOWGMLFSA-N 2 2 355.797 1.552 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000872256201 987549817 /nfs/dbraw/zinc/54/98/17/987549817.db2.gz QLZKFYVNJVMNLJ-BNOWGMLFSA-N 2 2 355.797 1.552 20 10 FDCDLP Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1O ZINC000530243441 539919940 /nfs/dbraw/zinc/91/99/40/539919940.db2.gz QZOTXSSXHLBRKL-UHFFFAOYSA-N 2 2 352.866 1.497 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2F)CC1 ZINC000178882706 525497769 /nfs/dbraw/zinc/49/77/69/525497769.db2.gz ZHJXVZKBAZEVOB-OAHLLOKOSA-N 2 2 352.479 1.246 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC3(OC)OC)CC2)cc1 ZINC000924579911 787819083 /nfs/dbraw/zinc/81/90/83/787819083.db2.gz NJQLTEWUECQMHJ-LJQANCHMSA-N 2 2 363.502 1.948 20 10 FDCDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000273542943 814796517 /nfs/dbraw/zinc/79/65/17/814796517.db2.gz YSQNECHGTROLKO-SJORKVTESA-N 2 2 361.486 1.593 20 10 FDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685390 822704669 /nfs/dbraw/zinc/70/46/69/822704669.db2.gz LIHUYPDQPIXWSM-FQEVSTJZSA-N 2 2 360.546 1.947 20 10 FDCDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509486 949786556 /nfs/dbraw/zinc/78/65/56/949786556.db2.gz BWQHKQPSPJDCTO-LJQANCHMSA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509486 949786560 /nfs/dbraw/zinc/78/65/60/949786560.db2.gz BWQHKQPSPJDCTO-LJQANCHMSA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509486 949786568 /nfs/dbraw/zinc/78/65/68/949786568.db2.gz BWQHKQPSPJDCTO-LJQANCHMSA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509486 949786581 /nfs/dbraw/zinc/78/65/81/949786581.db2.gz BWQHKQPSPJDCTO-LJQANCHMSA-N 2 2 366.458 1.364 20 10 FDCDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778151 951560153 /nfs/dbraw/zinc/56/01/53/951560153.db2.gz RFIFURLACRKNIX-SFHVURJKSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778151 951560156 /nfs/dbraw/zinc/56/01/56/951560156.db2.gz RFIFURLACRKNIX-SFHVURJKSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778151 951560166 /nfs/dbraw/zinc/56/01/66/951560166.db2.gz RFIFURLACRKNIX-SFHVURJKSA-N 2 2 351.491 1.146 20 10 FDCDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778151 951560169 /nfs/dbraw/zinc/56/01/69/951560169.db2.gz RFIFURLACRKNIX-SFHVURJKSA-N 2 2 351.491 1.146 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256292 966984727 /nfs/dbraw/zinc/98/47/27/966984727.db2.gz WJLLRZPZBQOQNB-MSOLQXFVSA-N 2 2 374.529 1.726 20 10 FDCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876736378 992853049 /nfs/dbraw/zinc/85/30/49/992853049.db2.gz KJNZVVMLKIMCFR-UHFFFAOYSA-N 2 2 361.530 1.926 20 10 FDCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876736378 992853059 /nfs/dbraw/zinc/85/30/59/992853059.db2.gz KJNZVVMLKIMCFR-UHFFFAOYSA-N 2 2 361.530 1.926 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2F)CC1 ZINC000264322771 997460853 /nfs/dbraw/zinc/46/08/53/997460853.db2.gz AYYISPGJFXIORE-UHFFFAOYSA-N 2 2 363.481 1.425 20 10 FDCDLP COc1c(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000289717735 1000115129 /nfs/dbraw/zinc/11/51/29/1000115129.db2.gz GZKDIEYFRQPIEF-UHFFFAOYSA-N 2 2 366.462 1.767 20 10 FDCDLP COc1c(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000289717735 1000115130 /nfs/dbraw/zinc/11/51/30/1000115130.db2.gz GZKDIEYFRQPIEF-UHFFFAOYSA-N 2 2 366.462 1.767 20 10 FDCDLP Cc1ccc(O)c(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000093562109 524993784 /nfs/dbraw/zinc/99/37/84/524993784.db2.gz QSHXAITYCRKGPD-UHFFFAOYSA-N 2 2 369.469 1.649 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034112 525793156 /nfs/dbraw/zinc/79/31/56/525793156.db2.gz UEPFDFATXYFITC-SJLPKXTDSA-N 2 2 360.502 1.336 20 10 FDCDLP COc1c(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000278143730 537263041 /nfs/dbraw/zinc/26/30/41/537263041.db2.gz BJNLKQFPNFMJGQ-UHFFFAOYSA-N 2 2 353.419 1.588 20 10 FDCDLP COc1c(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000278143730 537263046 /nfs/dbraw/zinc/26/30/46/537263046.db2.gz BJNLKQFPNFMJGQ-UHFFFAOYSA-N 2 2 353.419 1.588 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH+](C)C)CCC3)CC2)cc1 ZINC000763031090 877599042 /nfs/dbraw/zinc/59/90/42/877599042.db2.gz RXIXJYHGHJPUQC-UHFFFAOYSA-N 2 2 360.502 1.418 20 10 FDCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944339 943090816 /nfs/dbraw/zinc/09/08/16/943090816.db2.gz ZLVKJKHRBXKXFC-ACJLOTCBSA-N 2 2 362.499 1.751 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000818967621 943385383 /nfs/dbraw/zinc/38/53/83/943385383.db2.gz XCTIUPSSGJPDKU-IIDMSEBBSA-N 2 2 365.493 1.984 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000818967621 943385389 /nfs/dbraw/zinc/38/53/89/943385389.db2.gz XCTIUPSSGJPDKU-IIDMSEBBSA-N 2 2 365.493 1.984 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000844191572 947830497 /nfs/dbraw/zinc/83/04/97/947830497.db2.gz XPMNUVISTOZKLH-LJQANCHMSA-N 2 2 374.529 1.712 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000844220229 947852504 /nfs/dbraw/zinc/85/25/04/947852504.db2.gz BKJXQMBWIFYGCI-IBGZPJMESA-N 2 2 362.518 1.649 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000844220229 947852510 /nfs/dbraw/zinc/85/25/10/947852510.db2.gz BKJXQMBWIFYGCI-IBGZPJMESA-N 2 2 362.518 1.649 20 10 FDCDLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1 ZINC001144516444 949807453 /nfs/dbraw/zinc/80/74/53/949807453.db2.gz YKSGOTIUVTUVDH-CYBMUJFWSA-N 2 2 364.442 1.653 20 10 FDCDLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1 ZINC001144516444 949807475 /nfs/dbraw/zinc/80/74/75/949807475.db2.gz YKSGOTIUVTUVDH-CYBMUJFWSA-N 2 2 364.442 1.653 20 10 FDCDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844880 951647561 /nfs/dbraw/zinc/64/75/61/951647561.db2.gz IWJLUDARYWYKNW-QFBILLFUSA-N 2 2 351.491 1.113 20 10 FDCDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844880 951647568 /nfs/dbraw/zinc/64/75/68/951647568.db2.gz IWJLUDARYWYKNW-QFBILLFUSA-N 2 2 351.491 1.113 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2F)C[C@@H](C)O1 ZINC000863550578 973005794 /nfs/dbraw/zinc/00/57/94/973005794.db2.gz AQWOSHRPNYVEPP-NUJGCVRESA-N 2 2 365.493 1.986 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000863642699 973078946 /nfs/dbraw/zinc/07/89/46/973078946.db2.gz VQXJAOORSHIZDV-CABCVRRESA-N 2 2 369.824 1.942 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000858224686 981926103 /nfs/dbraw/zinc/92/61/03/981926103.db2.gz ORLVQXACCSYDEG-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000858224686 981926111 /nfs/dbraw/zinc/92/61/11/981926111.db2.gz ORLVQXACCSYDEG-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631104 989686687 /nfs/dbraw/zinc/68/66/87/989686687.db2.gz ONOKGCYKIDEURV-WMZOPIPTSA-N 2 2 363.502 1.800 20 10 FDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271092756 999660198 /nfs/dbraw/zinc/66/01/98/999660198.db2.gz LMGSVKKSMIFZED-UHFFFAOYSA-N 2 2 365.474 1.395 20 10 FDCDLP COc1cc(Cl)cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1O ZINC000530241683 539918236 /nfs/dbraw/zinc/91/82/36/539918236.db2.gz HFWRVMWIYWATIB-UHFFFAOYSA-N 2 2 368.865 1.197 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)cc2=O ZINC000072860478 522412483 /nfs/dbraw/zinc/41/24/83/522412483.db2.gz JUNRNEMRHAPNNC-ZDUSSCGKSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)cc2=O ZINC000072860478 522412493 /nfs/dbraw/zinc/41/24/93/522412493.db2.gz JUNRNEMRHAPNNC-ZDUSSCGKSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)cc2=O ZINC000072860478 522412501 /nfs/dbraw/zinc/41/25/01/522412501.db2.gz JUNRNEMRHAPNNC-ZDUSSCGKSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)cc2=O ZINC000072860478 522412507 /nfs/dbraw/zinc/41/25/07/522412507.db2.gz JUNRNEMRHAPNNC-ZDUSSCGKSA-N 2 2 361.446 1.385 20 10 FDCDLP CN1CCCc2cc(CNC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc21 ZINC000175695939 524991709 /nfs/dbraw/zinc/99/17/09/524991709.db2.gz ADBCBLLSHMQCSP-UHFFFAOYSA-N 2 2 373.545 1.894 20 10 FDCDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000155504880 671942340 /nfs/dbraw/zinc/94/23/40/671942340.db2.gz FWFLPXMJOVSECQ-UHFFFAOYSA-N 2 2 351.466 1.551 20 10 FDCDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000155504880 671942343 /nfs/dbraw/zinc/94/23/43/671942343.db2.gz FWFLPXMJOVSECQ-UHFFFAOYSA-N 2 2 351.466 1.551 20 10 FDCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178908033 816441240 /nfs/dbraw/zinc/44/12/40/816441240.db2.gz IFDNWKDKZNZLHA-IBGZPJMESA-N 2 2 374.529 1.556 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000899099154 845793869 /nfs/dbraw/zinc/79/38/69/845793869.db2.gz WELLVSNOXXWDMY-YJBOKZPZSA-N 2 2 356.474 1.476 20 10 FDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789465 876534787 /nfs/dbraw/zinc/53/47/87/876534787.db2.gz WAOZTSIXCQUQHO-RDTXWAMCSA-N 2 2 353.894 1.894 20 10 FDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789465 876534799 /nfs/dbraw/zinc/53/47/99/876534799.db2.gz WAOZTSIXCQUQHO-RDTXWAMCSA-N 2 2 353.894 1.894 20 10 FDCDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3c(O)cccc3F)CC2)CC1 ZINC000915501049 876982698 /nfs/dbraw/zinc/98/26/98/876982698.db2.gz YHTYCNGGMSYYGW-UHFFFAOYSA-N 2 2 364.465 1.889 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000732923573 920309524 /nfs/dbraw/zinc/30/95/24/920309524.db2.gz DPMFEGFAVPNFBN-LJQANCHMSA-N 2 2 360.502 1.418 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000732923573 920309539 /nfs/dbraw/zinc/30/95/39/920309539.db2.gz DPMFEGFAVPNFBN-LJQANCHMSA-N 2 2 360.502 1.418 20 10 FDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888134 943044025 /nfs/dbraw/zinc/04/40/25/943044025.db2.gz BPOWDDRHGIWNNO-BPQIPLTHSA-N 2 2 360.502 1.245 20 10 FDCDLP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000817889887 943045057 /nfs/dbraw/zinc/04/50/57/943045057.db2.gz QCGGFQNJRRHKTC-MISYRCLQSA-N 2 2 372.513 1.245 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)cc2F)CC1 ZINC000817902075 943071796 /nfs/dbraw/zinc/07/17/96/943071796.db2.gz HSZUHTCURAWRQL-AEFFLSMTSA-N 3 2 364.509 1.824 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)Cn3cncn3)CC2)cc1 ZINC000850422068 978366198 /nfs/dbraw/zinc/36/61/98/978366198.db2.gz DPXGUISJSSVLOO-QGZVFWFLSA-N 2 2 358.490 1.477 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc[nH+]c3C3CC3)CC2)cc1 ZINC000871983328 987407057 /nfs/dbraw/zinc/40/70/57/987407057.db2.gz BHOQUUPGNXBXBO-SFHVURJKSA-N 2 2 356.470 1.952 20 10 FDCDLP CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779518668 1009694768 /nfs/dbraw/zinc/69/47/68/1009694768.db2.gz ZGWYQXJQVORTIJ-AATOQMJSSA-N 2 2 359.470 1.738 20 10 FDCDLP CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779518668 1009694775 /nfs/dbraw/zinc/69/47/75/1009694775.db2.gz ZGWYQXJQVORTIJ-AATOQMJSSA-N 2 2 359.470 1.738 20 10 FDCDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000175801204 525010657 /nfs/dbraw/zinc/01/06/57/525010657.db2.gz HFUXLVKBLZBHQI-UHFFFAOYSA-N 2 2 371.529 1.888 20 10 FDCDLP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181043589 525796480 /nfs/dbraw/zinc/79/64/80/525796480.db2.gz JASJWUHEGWAJDM-PKOBYXMFSA-N 2 2 374.529 1.726 20 10 FDCDLP COc1c(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282847394 537339236 /nfs/dbraw/zinc/33/92/36/537339236.db2.gz DEMDXWQKJPMVSX-CQSZACIVSA-N 2 2 365.430 1.853 20 10 FDCDLP COc1c(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282847394 537339238 /nfs/dbraw/zinc/33/92/38/537339238.db2.gz DEMDXWQKJPMVSX-CQSZACIVSA-N 2 2 365.430 1.853 20 10 FDCDLP COc1ccc(N2CCC([N@H+](C)CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000378372823 794030733 /nfs/dbraw/zinc/03/07/33/794030733.db2.gz AVLRQGRVHXJYGB-UHFFFAOYSA-N 2 2 360.502 1.370 20 10 FDCDLP COc1ccc(N2CCC([N@@H+](C)CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000378372823 794030743 /nfs/dbraw/zinc/03/07/43/794030743.db2.gz AVLRQGRVHXJYGB-UHFFFAOYSA-N 2 2 360.502 1.370 20 10 FDCDLP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817892374 943067014 /nfs/dbraw/zinc/06/70/14/943067014.db2.gz MVXJMHBQEFKYPV-YJBOKZPZSA-N 2 2 351.516 1.542 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000817895360 943069421 /nfs/dbraw/zinc/06/94/21/943069421.db2.gz UECAQIOLJBAMJV-ROUUACIJSA-N 2 2 362.518 1.174 20 10 FDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943838 943090022 /nfs/dbraw/zinc/09/00/22/943090022.db2.gz VVARFSHVWDMLCW-UGSOOPFHSA-N 2 2 362.499 1.751 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000818942495 943353713 /nfs/dbraw/zinc/35/37/13/943353713.db2.gz FDZXDLYJELFRJX-INIZCTEOSA-N 2 2 361.408 1.720 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000818977488 943366652 /nfs/dbraw/zinc/36/66/52/943366652.db2.gz WYSGWYMLRBSPOJ-YLJYHZDGSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000818977488 943366658 /nfs/dbraw/zinc/36/66/58/943366658.db2.gz WYSGWYMLRBSPOJ-YLJYHZDGSA-N 2 2 374.529 1.004 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398870 948027541 /nfs/dbraw/zinc/02/75/41/948027541.db2.gz DHWSPDKNUZWTOL-QGZVFWFLSA-N 2 2 362.518 1.616 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398870 948027548 /nfs/dbraw/zinc/02/75/48/948027548.db2.gz DHWSPDKNUZWTOL-QGZVFWFLSA-N 2 2 362.518 1.616 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619065 537559525 /nfs/dbraw/zinc/55/95/25/537559525.db2.gz BEPBXGXHCIPLCO-QGZVFWFLSA-N 2 2 355.486 1.982 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619065 537559532 /nfs/dbraw/zinc/55/95/32/537559532.db2.gz BEPBXGXHCIPLCO-QGZVFWFLSA-N 2 2 355.486 1.982 20 10 FDCDLP COc1c(O)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000289422009 676133164 /nfs/dbraw/zinc/13/31/64/676133164.db2.gz JGZSNARBEALQRG-UHFFFAOYSA-N 2 2 352.435 1.378 20 10 FDCDLP COc1c(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000289422009 676133166 /nfs/dbraw/zinc/13/31/66/676133166.db2.gz JGZSNARBEALQRG-UHFFFAOYSA-N 2 2 352.435 1.378 20 10 FDCDLP COc1cc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000271780221 814477511 /nfs/dbraw/zinc/47/75/11/814477511.db2.gz HNTGNDQAKCHALR-OAHLLOKOSA-N 2 2 363.458 1.148 20 10 FDCDLP COc1cc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000271780221 814477514 /nfs/dbraw/zinc/47/75/14/814477514.db2.gz HNTGNDQAKCHALR-OAHLLOKOSA-N 2 2 363.458 1.148 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000899099153 845793842 /nfs/dbraw/zinc/79/38/42/845793842.db2.gz WELLVSNOXXWDMY-QAPCUYQASA-N 2 2 356.474 1.476 20 10 FDCDLP CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2([NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000908460729 855446786 /nfs/dbraw/zinc/44/67/86/855446786.db2.gz YLOPYZIHAPAMCG-QGZVFWFLSA-N 2 2 368.547 1.369 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300383 888789820 /nfs/dbraw/zinc/78/98/20/888789820.db2.gz QSCXMBWBNYBLIK-UYAOXDASSA-N 2 2 364.534 1.141 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000817895359 943068988 /nfs/dbraw/zinc/06/89/88/943068988.db2.gz UECAQIOLJBAMJV-QZTJIDSGSA-N 2 2 362.518 1.174 20 10 FDCDLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939173 943088477 /nfs/dbraw/zinc/08/84/77/943088477.db2.gz ACOWWIIBAMKDQL-YJBOKZPZSA-N 3 2 362.518 1.663 20 10 FDCDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)ccc1O ZINC000854232396 968703408 /nfs/dbraw/zinc/70/34/08/968703408.db2.gz OKLAHQBAIXORMW-MRVPVSSYSA-N 2 2 353.220 1.960 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715563 975951757 /nfs/dbraw/zinc/95/17/57/975951757.db2.gz CUIIAXBBYIQXLT-YLJYHZDGSA-N 2 2 372.513 1.418 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715563 975951758 /nfs/dbraw/zinc/95/17/58/975951758.db2.gz CUIIAXBBYIQXLT-YLJYHZDGSA-N 2 2 372.513 1.418 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000858126656 981846579 /nfs/dbraw/zinc/84/65/79/981846579.db2.gz FKHQAKPJSHEEHN-ZDUSSCGKSA-N 2 2 354.445 1.708 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000858126656 981846588 /nfs/dbraw/zinc/84/65/88/981846588.db2.gz FKHQAKPJSHEEHN-ZDUSSCGKSA-N 2 2 354.445 1.708 20 10 FDCDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000870667158 986213108 /nfs/dbraw/zinc/21/31/08/986213108.db2.gz UBEVSDULSCHYBC-HWKANZROSA-N 2 2 354.410 1.897 20 10 FDCDLP COc1ccc(N2CC[NH+](CCN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925509598 995634411 /nfs/dbraw/zinc/63/44/11/995634411.db2.gz YJNXGLLFQYYMIB-WPCMGHOJSA-N 2 2 356.514 1.403 20 10 FDCDLP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000925776395 995763371 /nfs/dbraw/zinc/76/33/71/995763371.db2.gz FWDPFKDTPQBUKX-UXHICEINSA-N 2 2 372.513 1.245 20 10 FDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906708 537016824 /nfs/dbraw/zinc/01/68/24/537016824.db2.gz MAZLBVWPWNOTSW-WBVHZDCISA-N 2 2 350.482 1.559 20 10 FDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906708 537016830 /nfs/dbraw/zinc/01/68/30/537016830.db2.gz MAZLBVWPWNOTSW-WBVHZDCISA-N 2 2 350.482 1.559 20 10 FDCDLP Cc1nnc(CN2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)[nH]1 ZINC000895264750 822334158 /nfs/dbraw/zinc/33/41/58/822334158.db2.gz FNZMCAXOIDEBQX-UHFFFAOYSA-N 2 2 369.517 1.183 20 10 FDCDLP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000788507571 932718340 /nfs/dbraw/zinc/71/83/40/932718340.db2.gz ROKPRJSJIKOOQF-SFHVURJKSA-N 2 2 372.517 1.867 20 10 FDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934821 943084808 /nfs/dbraw/zinc/08/48/08/943084808.db2.gz JHXIJMUBCJTCLQ-UKRRQHHQSA-N 2 2 355.429 1.658 20 10 FDCDLP Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(F)c1N1CCOCC1 ZINC000817934358 943085323 /nfs/dbraw/zinc/08/53/23/943085323.db2.gz DPAYYCAFLMXJEQ-MSOLQXFVSA-N 2 2 367.440 1.658 20 10 FDCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943834 943089754 /nfs/dbraw/zinc/08/97/54/943089754.db2.gz VVARFSHVWDMLCW-ACJLOTCBSA-N 2 2 362.499 1.751 20 10 FDCDLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817946472 943090552 /nfs/dbraw/zinc/09/05/52/943090552.db2.gz XXRPTVXDYYNYSZ-VIFPVBQESA-N 2 2 360.227 1.376 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000844191571 947830258 /nfs/dbraw/zinc/83/02/58/947830258.db2.gz XPMNUVISTOZKLH-IBGZPJMESA-N 2 2 374.529 1.712 20 10 FDCDLP O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cc2)CC1 ZINC000925487315 995626337 /nfs/dbraw/zinc/62/63/37/995626337.db2.gz MSSUHDCPAIZCLC-JAQSECSASA-N 2 2 361.511 1.007 20 10 FDCDLP NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000925776396 995763234 /nfs/dbraw/zinc/76/32/34/995763234.db2.gz FWDPFKDTPQBUKX-VQTJNVASSA-N 2 2 372.513 1.245 20 10 FDCDLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930674611 1003384646 /nfs/dbraw/zinc/38/46/46/1003384646.db2.gz NLCPLSJAKRVTKP-UHFFFAOYSA-N 2 2 359.514 1.850 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)cc2=O ZINC000080973883 523923574 /nfs/dbraw/zinc/92/35/74/523923574.db2.gz GFCSIAUJNKRRQF-LBPRGKRZSA-N 2 2 370.413 1.714 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)cc2=O ZINC000080973883 523923578 /nfs/dbraw/zinc/92/35/78/523923578.db2.gz GFCSIAUJNKRRQF-LBPRGKRZSA-N 2 2 370.413 1.714 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCn1cc[nH+]c1)cc2=O ZINC000124269275 524944970 /nfs/dbraw/zinc/94/49/70/524944970.db2.gz IKLLQRXCTXSFTB-UHFFFAOYSA-N 2 2 358.402 1.330 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCCn1cc[nH+]c1)cc2=O ZINC000124269275 524944982 /nfs/dbraw/zinc/94/49/82/524944982.db2.gz IKLLQRXCTXSFTB-UHFFFAOYSA-N 2 2 358.402 1.330 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000178060712 525377542 /nfs/dbraw/zinc/37/75/42/525377542.db2.gz HESOSVHMLZQRRI-SFHVURJKSA-N 2 2 374.529 1.508 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000178060712 525377548 /nfs/dbraw/zinc/37/75/48/525377548.db2.gz HESOSVHMLZQRRI-SFHVURJKSA-N 2 2 374.529 1.508 20 10 FDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906701 537016267 /nfs/dbraw/zinc/01/62/67/537016267.db2.gz MAZLBVWPWNOTSW-NVXWUHKLSA-N 2 2 350.482 1.559 20 10 FDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906701 537016272 /nfs/dbraw/zinc/01/62/72/537016272.db2.gz MAZLBVWPWNOTSW-NVXWUHKLSA-N 2 2 350.482 1.559 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000894310033 816196111 /nfs/dbraw/zinc/19/61/11/816196111.db2.gz RRYYQQFZCBWNQB-FUHWJXTLSA-N 2 2 370.501 1.866 20 10 FDCDLP O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CN1CC[NH+]1CCOCC1 ZINC000921759089 897723595 /nfs/dbraw/zinc/72/35/95/897723595.db2.gz PYMWIBYSAMQQIG-SFHVURJKSA-N 2 2 359.470 1.034 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC(C)([NH+](C)C)C3)cc12 ZINC001184360388 963541783 /nfs/dbraw/zinc/54/17/83/963541783.db2.gz YPMTWDJRQDPOJF-UHFFFAOYSA-N 2 2 373.453 1.401 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC(C)([NH+](C)C)C3)cc12 ZINC001184360388 963541793 /nfs/dbraw/zinc/54/17/93/963541793.db2.gz YPMTWDJRQDPOJF-UHFFFAOYSA-N 2 2 373.453 1.401 20 10 FDCDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901173 973632297 /nfs/dbraw/zinc/63/22/97/973632297.db2.gz PZINEZKGNHGDIJ-OAQYLSRUSA-N 3 2 360.546 1.885 20 10 FDCDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901173 973632302 /nfs/dbraw/zinc/63/23/02/973632302.db2.gz PZINEZKGNHGDIJ-OAQYLSRUSA-N 3 2 360.546 1.885 20 10 FDCDLP CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883372226 982101428 /nfs/dbraw/zinc/10/14/28/982101428.db2.gz RSPYFSUFURVZMK-SFHVURJKSA-N 2 2 363.502 1.677 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)c3ncoc3C[NH3+])cc2F)CC1 ZINC000884236526 983014396 /nfs/dbraw/zinc/01/43/96/983014396.db2.gz XOHNTHMDDBJCAT-UHFFFAOYSA-N 2 2 361.421 1.344 20 10 FDCDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)CC1 ZINC000870667159 986214056 /nfs/dbraw/zinc/21/40/56/986214056.db2.gz UBEVSDULSCHYBC-HYXAFXHYSA-N 2 2 354.410 1.897 20 10 FDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1O ZINC000373112946 991928465 /nfs/dbraw/zinc/92/84/65/991928465.db2.gz OLCCNLVFCUAPRM-UHFFFAOYSA-N 2 2 366.433 1.393 20 10 FDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000876506165 992672363 /nfs/dbraw/zinc/67/23/63/992672363.db2.gz GJRZBBGKHHXXBS-UXHICEINSA-N 2 2 369.513 1.328 20 10 FDCDLP Cc1cc(O)c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000530242719 539919355 /nfs/dbraw/zinc/91/93/55/539919355.db2.gz OVXFMWIUVFJXFV-UHFFFAOYSA-N 2 2 352.866 1.497 20 10 FDCDLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1OC ZINC000892174431 781966108 /nfs/dbraw/zinc/96/61/08/781966108.db2.gz ADXXVVJAQRINCK-HNNXBMFYSA-N 2 2 363.458 1.148 20 10 FDCDLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(O)c1OC ZINC000892174431 781966110 /nfs/dbraw/zinc/96/61/10/781966110.db2.gz ADXXVVJAQRINCK-HNNXBMFYSA-N 2 2 363.458 1.148 20 10 FDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129356855 525644815 /nfs/dbraw/zinc/64/48/15/525644815.db2.gz PVBWTGYEDYHVEL-IBGZPJMESA-N 2 2 374.529 1.365 20 10 FDCDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)CC1 ZINC000278207420 537280946 /nfs/dbraw/zinc/28/09/46/537280946.db2.gz JTFKJALPYGTMTH-OAHLLOKOSA-N 2 2 364.446 1.521 20 10 FDCDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)CC1 ZINC000278207420 537280957 /nfs/dbraw/zinc/28/09/57/537280957.db2.gz JTFKJALPYGTMTH-OAHLLOKOSA-N 2 2 364.446 1.521 20 10 FDCDLP Cn1c[nH+]cc1CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000807184135 940274737 /nfs/dbraw/zinc/27/47/37/940274737.db2.gz MFAPYIIRAADNJU-UHFFFAOYSA-N 2 2 367.497 1.811 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CS(C)(=O)=O)CC3)cc2)CC1 ZINC000814178402 941569047 /nfs/dbraw/zinc/56/90/47/941569047.db2.gz ORGZXSNSUKAJCP-UHFFFAOYSA-N 2 2 365.543 1.695 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000844227117 947862413 /nfs/dbraw/zinc/86/24/13/947862413.db2.gz SZQOHOZYMFZEMX-HXUWFJFHSA-N 2 2 374.529 1.841 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000847400664 975575265 /nfs/dbraw/zinc/57/52/65/975575265.db2.gz SHSJCSJVOMIICR-QGZVFWFLSA-N 2 2 360.502 1.275 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000847400664 975575278 /nfs/dbraw/zinc/57/52/78/975575278.db2.gz SHSJCSJVOMIICR-QGZVFWFLSA-N 2 2 360.502 1.275 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000858139172 981856542 /nfs/dbraw/zinc/85/65/42/981856542.db2.gz QCEBBIGHCMCDCJ-MRXNPFEDSA-N 2 2 368.472 1.527 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cn1cccn1 ZINC000873044865 988472381 /nfs/dbraw/zinc/47/23/81/988472381.db2.gz XNUSCZYVMLAFCY-RBUKOAKNSA-N 2 2 356.470 1.893 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cn1cccn1 ZINC000873044865 988472390 /nfs/dbraw/zinc/47/23/90/988472390.db2.gz XNUSCZYVMLAFCY-RBUKOAKNSA-N 2 2 356.470 1.893 20 10 FDCDLP CCCOc1ccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(O)c1 ZINC000369444987 989051648 /nfs/dbraw/zinc/05/16/48/989051648.db2.gz VIULMGFLPMPPPG-IBGZPJMESA-N 2 2 363.502 1.629 20 10 FDCDLP CCCOc1ccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(O)c1 ZINC000369444987 989051659 /nfs/dbraw/zinc/05/16/59/989051659.db2.gz VIULMGFLPMPPPG-IBGZPJMESA-N 2 2 363.502 1.629 20 10 FDCDLP COc1c(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760363 989775351 /nfs/dbraw/zinc/77/53/51/989775351.db2.gz PTVXLBMAGCMAAX-IJEWVQPXSA-N 2 2 365.430 1.993 20 10 FDCDLP COc1c(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760363 989775356 /nfs/dbraw/zinc/77/53/56/989775356.db2.gz PTVXLBMAGCMAAX-IJEWVQPXSA-N 2 2 365.430 1.993 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000925762351 995755312 /nfs/dbraw/zinc/75/53/12/995755312.db2.gz JDMDIZNODPFAHC-NJYVYQBISA-N 3 2 358.530 1.685 20 10 FDCDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000887133394 996960100 /nfs/dbraw/zinc/96/01/00/996960100.db2.gz ZWLCOJXRNNMITI-KRWDZBQOSA-N 2 2 367.497 1.975 20 10 FDCDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000887133394 996960102 /nfs/dbraw/zinc/96/01/02/996960102.db2.gz ZWLCOJXRNNMITI-KRWDZBQOSA-N 2 2 367.497 1.975 20 10 FDCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000779019475 1007147036 /nfs/dbraw/zinc/14/70/36/1007147036.db2.gz XQUOTSAUDOSBKR-GFCCVEGCSA-N 2 2 370.291 1.888 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C[NH+](C)CC)C1)cc2=O ZINC000072860480 522412180 /nfs/dbraw/zinc/41/21/80/522412180.db2.gz JUNRNEMRHAPNNC-CYBMUJFWSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C[NH+](C)CC)C1)cc2=O ZINC000072860480 522412193 /nfs/dbraw/zinc/41/21/93/522412193.db2.gz JUNRNEMRHAPNNC-CYBMUJFWSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H](C[N@H+](C)CC)C1)cc2=O ZINC000072860480 522412210 /nfs/dbraw/zinc/41/22/10/522412210.db2.gz JUNRNEMRHAPNNC-CYBMUJFWSA-N 2 2 361.446 1.385 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)cc2=O ZINC000072860480 522412214 /nfs/dbraw/zinc/41/22/14/522412214.db2.gz JUNRNEMRHAPNNC-CYBMUJFWSA-N 2 2 361.446 1.385 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000186064185 536224681 /nfs/dbraw/zinc/22/46/81/536224681.db2.gz VYTZOTFMQXDDGO-DZGCQCFKSA-N 2 2 351.422 1.115 20 10 FDCDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000186064218 536224766 /nfs/dbraw/zinc/22/47/66/536224766.db2.gz VYTZOTFMQXDDGO-ZFWWWQNUSA-N 2 2 351.422 1.115 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619064 537559782 /nfs/dbraw/zinc/55/97/82/537559782.db2.gz BEPBXGXHCIPLCO-KRWDZBQOSA-N 2 2 355.486 1.982 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619064 537559786 /nfs/dbraw/zinc/55/97/86/537559786.db2.gz BEPBXGXHCIPLCO-KRWDZBQOSA-N 2 2 355.486 1.982 20 10 FDCDLP C[NH2+]CCN(C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001204727862 810975513 /nfs/dbraw/zinc/97/55/13/810975513.db2.gz SLSMSHPBAFSQLM-UHFFFAOYSA-N 2 2 355.324 1.852 20 10 FDCDLP C[NH+]1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2Br)CC1 ZINC001204685216 828058318 /nfs/dbraw/zinc/05/83/18/828058318.db2.gz XOXMMAKDGOWETP-UHFFFAOYSA-N 2 2 367.335 1.996 20 10 FDCDLP CN(C)c1ccc([C@H](CNS(=O)(=O)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000908460669 855446375 /nfs/dbraw/zinc/44/63/75/855446375.db2.gz XDODYBQZRIHWJE-KRWDZBQOSA-N 2 2 365.503 1.171 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000813855152 941481813 /nfs/dbraw/zinc/48/18/13/941481813.db2.gz MAJTUVCUVLQOTP-LJQANCHMSA-N 2 2 374.529 1.854 20 10 FDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895474 943068617 /nfs/dbraw/zinc/06/86/17/943068617.db2.gz VFZFHSKCPFGDHQ-GOEBONIOSA-N 2 2 351.466 1.643 20 10 FDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934820 943084591 /nfs/dbraw/zinc/08/45/91/943084591.db2.gz JHXIJMUBCJTCLQ-HIFRSBDPSA-N 2 2 355.429 1.658 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CCC(=O)N(C)OC)CC2)cc1 ZINC000818942236 943353892 /nfs/dbraw/zinc/35/38/92/943353892.db2.gz BFACBLPBUWTRCC-UHFFFAOYSA-N 2 2 364.490 1.207 20 10 FDCDLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825240721 947087683 /nfs/dbraw/zinc/08/76/83/947087683.db2.gz INNVSZRXJCFMLD-UHFFFAOYSA-N 2 2 356.264 1.408 20 10 FDCDLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217762 947844371 /nfs/dbraw/zinc/84/43/71/947844371.db2.gz MFIYZQQEOOEYKE-QGZVFWFLSA-N 2 2 360.502 1.275 20 10 FDCDLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217762 947844380 /nfs/dbraw/zinc/84/43/80/947844380.db2.gz MFIYZQQEOOEYKE-QGZVFWFLSA-N 2 2 360.502 1.275 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674631 951439008 /nfs/dbraw/zinc/43/90/08/951439008.db2.gz QYIGCXLSFUFYTQ-WOJBJXKFSA-N 2 2 372.513 1.464 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)cc2)CC1 ZINC000848563663 976903686 /nfs/dbraw/zinc/90/36/86/976903686.db2.gz XZXXPHMCBJBBOM-QGZVFWFLSA-N 2 2 356.474 1.698 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NC[C@@H]3CCCO3)CC2)cc1 ZINC000849016322 977291848 /nfs/dbraw/zinc/29/18/48/977291848.db2.gz BYCNZPDYLFDNFU-SFHVURJKSA-N 2 2 361.490 1.110 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877652218 993408960 /nfs/dbraw/zinc/40/89/60/993408960.db2.gz SKWYEGPRGDZOHB-IBGZPJMESA-N 2 2 360.502 1.077 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877652218 993408963 /nfs/dbraw/zinc/40/89/63/993408963.db2.gz SKWYEGPRGDZOHB-IBGZPJMESA-N 2 2 360.502 1.077 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C[C@H]3CCC(=O)N3)CC2)cc1 ZINC000924581056 994850405 /nfs/dbraw/zinc/85/04/05/994850405.db2.gz ZFBCFLBSRJKOGB-QZTJIDSGSA-N 2 2 374.529 1.854 20 10 FDCDLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](CC)CCO3)CC2)c1O ZINC000371378636 537827103 /nfs/dbraw/zinc/82/71/03/537827103.db2.gz JSAICGIFAOKGAD-GOSISDBHSA-N 2 2 363.502 1.629 20 10 FDCDLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](CC)CCO3)CC2)c1O ZINC000371378636 537827122 /nfs/dbraw/zinc/82/71/22/537827122.db2.gz JSAICGIFAOKGAD-GOSISDBHSA-N 2 2 363.502 1.629 20 10 FDCDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372461857 537957077 /nfs/dbraw/zinc/95/70/77/537957077.db2.gz AUOGSJXKWXDZPF-UHFFFAOYSA-N 2 2 373.545 1.846 20 10 FDCDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372461857 537957086 /nfs/dbraw/zinc/95/70/86/537957086.db2.gz AUOGSJXKWXDZPF-UHFFFAOYSA-N 2 2 373.545 1.846 20 10 FDCDLP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(F)c1N1CCOCC1 ZINC000817934359 943085479 /nfs/dbraw/zinc/08/54/79/943085479.db2.gz DPAYYCAFLMXJEQ-QZTJIDSGSA-N 2 2 367.440 1.658 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000818960085 943342901 /nfs/dbraw/zinc/34/29/01/943342901.db2.gz XKWQSYGGDQBJFS-IEBWSBKVSA-N 2 2 373.501 1.053 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223174 947853928 /nfs/dbraw/zinc/85/39/28/947853928.db2.gz UKUMZIAVUJCBHG-FQEVSTJZSA-N 2 2 358.486 1.029 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223174 947853931 /nfs/dbraw/zinc/85/39/31/947853931.db2.gz UKUMZIAVUJCBHG-FQEVSTJZSA-N 2 2 358.486 1.029 20 10 FDCDLP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177896441 964013969 /nfs/dbraw/zinc/01/39/69/964013969.db2.gz CFDYVCXTMULUIP-KRWDZBQOSA-N 2 2 370.497 1.509 20 10 FDCDLP COc1c(O)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000774960775 964227500 /nfs/dbraw/zinc/22/75/00/964227500.db2.gz IFEAXHOHUBBKOP-UHFFFAOYSA-N 2 2 352.435 1.426 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)cc2F)CC1 ZINC000847454642 975648492 /nfs/dbraw/zinc/64/84/92/975648492.db2.gz LURSSAYWRFZELJ-UHFFFAOYSA-N 2 2 362.493 1.926 20 10 FDCDLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185341783 536205899 /nfs/dbraw/zinc/20/58/99/536205899.db2.gz FXAHSPWYZWROOC-GFCCVEGCSA-N 2 2 370.291 1.969 20 10 FDCDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000246368423 536937357 /nfs/dbraw/zinc/93/73/57/536937357.db2.gz JASJWUHEGWAJDM-MJGOQNOKSA-N 2 2 374.529 1.726 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000368028681 537972928 /nfs/dbraw/zinc/97/29/28/537972928.db2.gz FMTZGGWKXWMNPL-SOLBZPMBSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000368028681 537972933 /nfs/dbraw/zinc/97/29/33/537972933.db2.gz FMTZGGWKXWMNPL-SOLBZPMBSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000368028681 537972942 /nfs/dbraw/zinc/97/29/42/537972942.db2.gz FMTZGGWKXWMNPL-SOLBZPMBSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000368028681 537972951 /nfs/dbraw/zinc/97/29/51/537972951.db2.gz FMTZGGWKXWMNPL-SOLBZPMBSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCN(OC)CC3)CC2)cc1 ZINC000924579283 787743711 /nfs/dbraw/zinc/74/37/11/787743711.db2.gz JBAKLMYPSKBQFS-UHFFFAOYSA-N 2 2 362.518 1.823 20 10 FDCDLP COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000895415509 822590161 /nfs/dbraw/zinc/59/01/61/822590161.db2.gz PFPJNYABQGEAMS-UHFFFAOYSA-N 2 2 367.497 1.933 20 10 FDCDLP COCc1ncc2c(n1)CC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000895415509 822590162 /nfs/dbraw/zinc/59/01/62/822590162.db2.gz PFPJNYABQGEAMS-UHFFFAOYSA-N 2 2 367.497 1.933 20 10 FDCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765417916 907031274 /nfs/dbraw/zinc/03/12/74/907031274.db2.gz YGGIVWHRGITNFI-OAHLLOKOSA-N 2 2 364.465 1.087 20 10 FDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943836 943089933 /nfs/dbraw/zinc/08/99/33/943089933.db2.gz VVARFSHVWDMLCW-SCLBCKFNSA-N 2 2 362.499 1.751 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)CSC)CC2)cc1 ZINC000818942503 943354156 /nfs/dbraw/zinc/35/41/56/943354156.db2.gz FGAATACCADPGJJ-KRWDZBQOSA-N 2 2 353.532 1.521 20 10 FDCDLP CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700928 971563019 /nfs/dbraw/zinc/56/30/19/971563019.db2.gz SLNSWLXKOVDENV-INIZCTEOSA-N 2 2 353.532 1.693 20 10 FDCDLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700928 971563031 /nfs/dbraw/zinc/56/30/31/971563031.db2.gz SLNSWLXKOVDENV-INIZCTEOSA-N 2 2 353.532 1.693 20 10 FDCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853412352 968005881 /nfs/dbraw/zinc/00/58/81/968005881.db2.gz YSHBUSMIWAAARJ-UHFFFAOYSA-N 2 2 361.534 1.970 20 10 FDCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853412352 968005895 /nfs/dbraw/zinc/00/58/95/968005895.db2.gz YSHBUSMIWAAARJ-UHFFFAOYSA-N 2 2 361.534 1.970 20 10 FDCDLP O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000863557472 973014878 /nfs/dbraw/zinc/01/48/78/973014878.db2.gz NZRIDQAXCHNYAN-OAHLLOKOSA-N 2 2 355.429 1.348 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000881851184 980212862 /nfs/dbraw/zinc/21/28/62/980212862.db2.gz PJNVDZZXSCUJTM-KRWDZBQOSA-N 2 2 353.470 1.514 20 10 FDCDLP CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000858139171 981856196 /nfs/dbraw/zinc/85/61/96/981856196.db2.gz QCEBBIGHCMCDCJ-INIZCTEOSA-N 2 2 368.472 1.527 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000862464888 984396663 /nfs/dbraw/zinc/39/66/63/984396663.db2.gz LFYYZYUMBIFUKS-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000862464888 984396673 /nfs/dbraw/zinc/39/66/73/984396673.db2.gz LFYYZYUMBIFUKS-ZDUSSCGKSA-N 2 2 356.264 1.584 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@]3(OC)CCOC3)CC2)cc1 ZINC000876900775 992959082 /nfs/dbraw/zinc/95/90/82/992959082.db2.gz QSDLCUBRFLRDSE-FQEVSTJZSA-N 2 2 363.502 1.602 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000178060702 525377883 /nfs/dbraw/zinc/37/78/83/525377883.db2.gz HESOSVHMLZQRRI-GOSISDBHSA-N 2 2 374.529 1.508 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000178060702 525377891 /nfs/dbraw/zinc/37/78/91/525377891.db2.gz HESOSVHMLZQRRI-GOSISDBHSA-N 2 2 374.529 1.508 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000186063416 536224637 /nfs/dbraw/zinc/22/46/37/536224637.db2.gz FXHPQVVMHQEKDY-UKRRQHHQSA-N 2 2 367.877 1.629 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1O ZINC000372616077 537990111 /nfs/dbraw/zinc/99/01/11/537990111.db2.gz DPTSSCVEYVZKKO-UONOGXRCSA-N 2 2 355.429 1.728 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000891248368 774096352 /nfs/dbraw/zinc/09/63/52/774096352.db2.gz LTPABYCFQJUUAR-ZMBJWTFHSA-N 2 2 360.502 1.360 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4[nH]cc(C(N)=O)c43)cc2)CC1 ZINC001167431390 774657467 /nfs/dbraw/zinc/65/74/67/774657467.db2.gz XIHWYEROAQNREN-UHFFFAOYSA-N 2 2 365.441 1.372 20 10 FDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789464 876535360 /nfs/dbraw/zinc/53/53/60/876535360.db2.gz WAOZTSIXCQUQHO-KSSFIOAISA-N 2 2 353.894 1.894 20 10 FDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789464 876535365 /nfs/dbraw/zinc/53/53/65/876535365.db2.gz WAOZTSIXCQUQHO-KSSFIOAISA-N 2 2 353.894 1.894 20 10 FDCDLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738155703 925125141 /nfs/dbraw/zinc/12/51/41/925125141.db2.gz GRUGLVTYCDINPA-UHFFFAOYSA-N 2 2 354.454 1.680 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061545 943393657 /nfs/dbraw/zinc/39/36/57/943393657.db2.gz WHVWOPCCQVQQFY-IEBWSBKVSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061545 943393666 /nfs/dbraw/zinc/39/36/66/943393666.db2.gz WHVWOPCCQVQQFY-IEBWSBKVSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061547 943401155 /nfs/dbraw/zinc/40/11/55/943401155.db2.gz WHVWOPCCQVQQFY-PKOBYXMFSA-N 2 2 364.534 1.108 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061547 943401158 /nfs/dbraw/zinc/40/11/58/943401158.db2.gz WHVWOPCCQVQQFY-PKOBYXMFSA-N 2 2 364.534 1.108 20 10 FDCDLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246495 947089208 /nfs/dbraw/zinc/08/92/08/947089208.db2.gz BDAQKAPTSGAKEO-ZDUSSCGKSA-N 2 2 370.291 1.832 20 10 FDCDLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246495 947089222 /nfs/dbraw/zinc/08/92/22/947089222.db2.gz BDAQKAPTSGAKEO-ZDUSSCGKSA-N 2 2 370.291 1.832 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398866 948028111 /nfs/dbraw/zinc/02/81/11/948028111.db2.gz DHWSPDKNUZWTOL-KRWDZBQOSA-N 2 2 362.518 1.616 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398866 948028121 /nfs/dbraw/zinc/02/81/21/948028121.db2.gz DHWSPDKNUZWTOL-KRWDZBQOSA-N 2 2 362.518 1.616 20 10 FDCDLP Oc1cc(O)c(C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c(O)c1 ZINC001144515457 949806321 /nfs/dbraw/zinc/80/63/21/949806321.db2.gz PEJGCSCCHREWAO-UHFFFAOYSA-N 2 2 371.441 1.516 20 10 FDCDLP O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C[NH+]1CCCC1 ZINC000863550713 973006436 /nfs/dbraw/zinc/00/64/36/973006436.db2.gz DMIYQKBRMGCZAP-QGZVFWFLSA-N 2 2 351.466 1.333 20 10 FDCDLP COCC[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001199769659 974496149 /nfs/dbraw/zinc/49/61/49/974496149.db2.gz QIOGZNUKBQXWGZ-UHFFFAOYSA-N 3 2 364.509 1.778 20 10 FDCDLP COc1cccc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000883371440 982099795 /nfs/dbraw/zinc/09/97/95/982099795.db2.gz KCMGGFDDAWVCFR-IRXDYDNUSA-N 2 2 363.502 1.848 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cc[nH+]c3C)cc2F)CC1 ZINC000297789253 989692395 /nfs/dbraw/zinc/69/23/95/989692395.db2.gz MBGCBGJHJPHSQD-UHFFFAOYSA-N 2 2 359.449 1.789 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([S@](C)(=N)=O)CC3)cc2)CC1 ZINC000877792612 993517581 /nfs/dbraw/zinc/51/75/81/993517581.db2.gz NVAVFXWYNIJBRI-DEOSSOPVSA-N 2 2 351.520 1.148 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([S@@](C)(=N)=O)CC3)cc2)CC1 ZINC000877792613 993517876 /nfs/dbraw/zinc/51/78/76/993517876.db2.gz NVAVFXWYNIJBRI-XMMPIXPASA-N 2 2 351.520 1.148 20 10 FDCDLP O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cc2)CC1 ZINC000925487312 995626303 /nfs/dbraw/zinc/62/63/03/995626303.db2.gz MSSUHDCPAIZCLC-BSWVEEBUSA-N 2 2 361.511 1.007 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000925762353 995755390 /nfs/dbraw/zinc/75/53/90/995755390.db2.gz JDMDIZNODPFAHC-PWRODBHTSA-N 3 2 358.530 1.685 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)CCCn3cc[nH+]c3)CC2)cc1 ZINC000124443139 524989683 /nfs/dbraw/zinc/98/96/83/524989683.db2.gz QBGKGUMPERZLCC-UHFFFAOYSA-N 2 2 371.485 1.562 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCCn3cc[nH+]c3)CC2)cc1 ZINC000124443139 524989692 /nfs/dbraw/zinc/98/96/92/524989692.db2.gz QBGKGUMPERZLCC-UHFFFAOYSA-N 2 2 371.485 1.562 20 10 FDCDLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034026 525793643 /nfs/dbraw/zinc/79/36/43/525793643.db2.gz OGLUWFLDCBQYHV-UYAOXDASSA-N 2 2 374.529 1.726 20 10 FDCDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367617987 537967202 /nfs/dbraw/zinc/96/72/02/537967202.db2.gz OCMRMYDPJWIXMN-FUHWJXTLSA-N 2 2 351.466 1.979 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000891247083 774091438 /nfs/dbraw/zinc/09/14/38/774091438.db2.gz HEMUERWSRYLXFA-QFBILLFUSA-N 2 2 355.486 1.931 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000894310034 816196202 /nfs/dbraw/zinc/19/62/02/816196202.db2.gz RRYYQQFZCBWNQB-SJLPKXTDSA-N 2 2 370.501 1.866 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000844190377 947826327 /nfs/dbraw/zinc/82/63/27/947826327.db2.gz LBONFOYCXQGSFJ-APWZRJJASA-N 2 2 360.502 1.322 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223175 947853510 /nfs/dbraw/zinc/85/35/10/947853510.db2.gz UKUMZIAVUJCBHG-HXUWFJFHSA-N 2 2 358.486 1.029 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223175 947853516 /nfs/dbraw/zinc/85/35/16/947853516.db2.gz UKUMZIAVUJCBHG-HXUWFJFHSA-N 2 2 358.486 1.029 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)cc2)CC1 ZINC000848563662 976903335 /nfs/dbraw/zinc/90/33/35/976903335.db2.gz XZXXPHMCBJBBOM-KRWDZBQOSA-N 2 2 356.474 1.698 20 10 FDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2F)CC1 ZINC000859261734 982655769 /nfs/dbraw/zinc/65/57/69/982655769.db2.gz RJGVFZHSUKQPQO-UHFFFAOYSA-N 2 2 359.449 1.789 20 10 FDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778713 995763851 /nfs/dbraw/zinc/76/38/51/995763851.db2.gz WTOXYWMEHHRXPC-YJBOKZPZSA-N 2 2 360.502 1.245 20 10 FDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000779630770 1010472744 /nfs/dbraw/zinc/47/27/44/1010472744.db2.gz DYYIPJZDUGFSDW-UHFFFAOYSA-N 2 2 367.497 1.928 20 10 FDCDLP Oc1cc2c(cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)OCO2 ZINC000237957982 809532043 /nfs/dbraw/zinc/53/20/43/809532043.db2.gz ZCPATECACOYGEZ-QGZVFWFLSA-N 2 2 356.422 1.630 20 10 FDCDLP Oc1cc2c(cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)OCO2 ZINC000237957982 809532047 /nfs/dbraw/zinc/53/20/47/809532047.db2.gz ZCPATECACOYGEZ-QGZVFWFLSA-N 2 2 356.422 1.630 20 10 FDCDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1O ZINC000171937659 865403576 /nfs/dbraw/zinc/40/35/76/865403576.db2.gz ZBKNDMZNSPQHFQ-MRXNPFEDSA-N 2 2 354.454 1.956 20 10 FDCDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1O ZINC000171937659 865403582 /nfs/dbraw/zinc/40/35/82/865403582.db2.gz ZBKNDMZNSPQHFQ-MRXNPFEDSA-N 2 2 354.454 1.956 20 10 FDCDLP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817892372 943066645 /nfs/dbraw/zinc/06/66/45/943066645.db2.gz MVXJMHBQEFKYPV-MAUKXSAKSA-N 2 2 351.516 1.542 20 10 FDCDLP CCO[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C[NH3+] ZINC000844905745 948490299 /nfs/dbraw/zinc/49/02/99/948490299.db2.gz NARNRFQPPGVBIS-BXUZGUMPSA-N 2 2 359.264 1.959 20 10 FDCDLP CCO[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C[NH3+] ZINC000844905745 948490304 /nfs/dbraw/zinc/49/03/04/948490304.db2.gz NARNRFQPPGVBIS-BXUZGUMPSA-N 2 2 359.264 1.959 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC([NH+](C)C)C3)cc12 ZINC001184354195 963559113 /nfs/dbraw/zinc/55/91/13/963559113.db2.gz BTDJCENCMZSWTM-UHFFFAOYSA-N 2 2 359.426 1.011 20 10 FDCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC([NH+](C)C)C3)cc12 ZINC001184354195 963559118 /nfs/dbraw/zinc/55/91/18/963559118.db2.gz BTDJCENCMZSWTM-UHFFFAOYSA-N 2 2 359.426 1.011 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)cc1 ZINC000852872162 967678807 /nfs/dbraw/zinc/67/88/07/967678807.db2.gz BUSSLTJVIFCANT-SFHVURJKSA-N 2 2 360.502 1.322 20 10 FDCDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883372225 982101529 /nfs/dbraw/zinc/10/15/29/982101529.db2.gz RSPYFSUFURVZMK-GOSISDBHSA-N 2 2 363.502 1.677 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CC(=O)N(C)C)CC2)cc1 ZINC000102560441 525293597 /nfs/dbraw/zinc/29/35/97/525293597.db2.gz VKPDOWNCUOWHGF-QGZVFWFLSA-N 2 2 362.518 1.664 20 10 FDCDLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377585610 537984057 /nfs/dbraw/zinc/98/40/57/537984057.db2.gz VBDCEXQFCCJNMF-KRWDZBQOSA-N 2 2 363.458 1.403 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000891247082 774090883 /nfs/dbraw/zinc/09/08/83/774090883.db2.gz HEMUERWSRYLXFA-LPHOPBHVSA-N 2 2 355.486 1.931 20 10 FDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895476 943068031 /nfs/dbraw/zinc/06/80/31/943068031.db2.gz VFZFHSKCPFGDHQ-HOCLYGCPSA-N 2 2 351.466 1.643 20 10 FDCDLP CC(C)OCCN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775713404 971650001 /nfs/dbraw/zinc/65/00/01/971650001.db2.gz MMSIVHJPYFHVCL-UHFFFAOYSA-N 2 2 360.546 1.981 20 10 FDCDLP CCS(=O)(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775204704 966617532 /nfs/dbraw/zinc/61/75/32/966617532.db2.gz DBQJJTGWZOOXOS-UHFFFAOYSA-N 2 2 365.543 1.838 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866715558 975951856 /nfs/dbraw/zinc/95/18/56/975951856.db2.gz CUIIAXBBYIQXLT-PXNSSMCTSA-N 2 2 372.513 1.418 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866715558 975951859 /nfs/dbraw/zinc/95/18/59/975951859.db2.gz CUIIAXBBYIQXLT-PXNSSMCTSA-N 2 2 372.513 1.418 20 10 FDCDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852870 980216069 /nfs/dbraw/zinc/21/60/69/980216069.db2.gz DLIAFGNXWQFMIS-QZTJIDSGSA-N 2 2 353.470 1.592 20 10 FDCDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000883161079 981990189 /nfs/dbraw/zinc/99/01/89/981990189.db2.gz JDWZCIGCAODZDC-QGZVFWFLSA-N 2 2 353.482 1.845 20 10 FDCDLP COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369852619 989242015 /nfs/dbraw/zinc/24/20/15/989242015.db2.gz RQOHBUZTNOZLHJ-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369852619 989242022 /nfs/dbraw/zinc/24/20/22/989242022.db2.gz RQOHBUZTNOZLHJ-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3C(=O)NCC3(C)C)CC2)cc1 ZINC000924579279 994849343 /nfs/dbraw/zinc/84/93/43/994849343.db2.gz IYLHOYUWFGPEQW-SFHVURJKSA-N 2 2 360.502 1.322 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000075768166 522965332 /nfs/dbraw/zinc/96/53/32/522965332.db2.gz ZOEGVYNRJNGCGS-UHFFFAOYSA-N 2 2 361.534 1.920 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000075768166 522965344 /nfs/dbraw/zinc/96/53/44/522965344.db2.gz ZOEGVYNRJNGCGS-UHFFFAOYSA-N 2 2 361.534 1.920 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[NH+](C)C)cc1 ZINC000891248378 774097402 /nfs/dbraw/zinc/09/74/02/774097402.db2.gz LZFWEYXGABUIQE-SJLPKXTDSA-N 2 2 355.486 1.931 20 10 FDCDLP C[NH+](C)C1(C(=O)NCc2cc(NC(=O)C3([NH+](C)C)CC3)ccc2O)CC1 ZINC000923116961 888075283 /nfs/dbraw/zinc/07/52/83/888075283.db2.gz KSSRSCFFJVZXRD-UHFFFAOYSA-N 2 2 360.458 1.135 20 10 FDCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817946022 943090519 /nfs/dbraw/zinc/09/05/19/943090519.db2.gz QJLUNONITVWOIM-SECBINFHSA-N 2 2 360.227 1.376 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000818977485 943366536 /nfs/dbraw/zinc/36/65/36/943366536.db2.gz WYSGWYMLRBSPOJ-FXAWDEMLSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000818977485 943366544 /nfs/dbraw/zinc/36/65/44/943366544.db2.gz WYSGWYMLRBSPOJ-FXAWDEMLSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000844190379 947826295 /nfs/dbraw/zinc/82/62/95/947826295.db2.gz LBONFOYCXQGSFJ-QFBILLFUSA-N 2 2 360.502 1.322 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000850397272 978357359 /nfs/dbraw/zinc/35/73/59/978357359.db2.gz UYNOSGWVPAQGLA-OAQYLSRUSA-N 3 2 358.530 1.781 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000186063569 536224697 /nfs/dbraw/zinc/22/46/97/536224697.db2.gz OIYKQYDPGHQLAX-UKRRQHHQSA-N 2 2 351.422 1.115 20 10 FDCDLP COc1c(O)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278929777 537343221 /nfs/dbraw/zinc/34/32/21/537343221.db2.gz VZPZUMYLVPJYOQ-ZDUSSCGKSA-N 2 2 352.435 1.282 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@](C)(O)C(F)F)CC2)cc1 ZINC000905027067 851624228 /nfs/dbraw/zinc/62/42/28/851624228.db2.gz PJBUWNOCKAWXIT-GOSISDBHSA-N 2 2 357.445 1.813 20 10 FDCDLP COc1cc(O)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000816656234 942289243 /nfs/dbraw/zinc/28/92/43/942289243.db2.gz KPSWGDRFTMHXPX-GOSISDBHSA-N 2 2 372.465 1.918 20 10 FDCDLP COc1cc(O)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000816656234 942289247 /nfs/dbraw/zinc/28/92/47/942289247.db2.gz KPSWGDRFTMHXPX-GOSISDBHSA-N 2 2 372.465 1.918 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000818977486 943366743 /nfs/dbraw/zinc/36/67/43/943366743.db2.gz WYSGWYMLRBSPOJ-PXNSSMCTSA-N 2 2 374.529 1.004 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000818977486 943366752 /nfs/dbraw/zinc/36/67/52/943366752.db2.gz WYSGWYMLRBSPOJ-PXNSSMCTSA-N 2 2 374.529 1.004 20 10 FDCDLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000775497488 968919068 /nfs/dbraw/zinc/91/90/68/968919068.db2.gz SLZZRCFBBCYZCL-CQSZACIVSA-N 2 2 370.291 1.969 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000850397271 978357582 /nfs/dbraw/zinc/35/75/82/978357582.db2.gz UYNOSGWVPAQGLA-NRFANRHFSA-N 3 2 358.530 1.781 20 10 FDCDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000883370559 982098698 /nfs/dbraw/zinc/09/86/98/982098698.db2.gz NUXAGTKFDWHWJL-NVXWUHKLSA-N 2 2 351.466 1.979 20 10 FDCDLP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862466486 984396012 /nfs/dbraw/zinc/39/60/12/984396012.db2.gz ZFNUXGGFYHTVEK-AWEZNQCLSA-N 2 2 370.291 1.893 20 10 FDCDLP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862466486 984396017 /nfs/dbraw/zinc/39/60/17/984396017.db2.gz ZFNUXGGFYHTVEK-AWEZNQCLSA-N 2 2 370.291 1.893 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1CC[NH+](CC)CC1)cc2=O ZINC000157425828 1006911200 /nfs/dbraw/zinc/91/12/00/1006911200.db2.gz SACGORPUWYVSMO-UHFFFAOYSA-N 2 2 361.446 1.528 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1CC[NH+](CC)CC1)cc2=O ZINC000157425828 1006911207 /nfs/dbraw/zinc/91/12/07/1006911207.db2.gz SACGORPUWYVSMO-UHFFFAOYSA-N 2 2 361.446 1.528 20 10 FDCDLP CN(C)c1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000155195141 525777735 /nfs/dbraw/zinc/77/77/35/525777735.db2.gz FXHYUUAFAWEXRX-UHFFFAOYSA-N 2 2 354.502 1.926 20 10 FDCDLP CN(C)c1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000155195141 525777742 /nfs/dbraw/zinc/77/77/42/525777742.db2.gz FXHYUUAFAWEXRX-UHFFFAOYSA-N 2 2 354.502 1.926 20 10 FDCDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267008 526142646 /nfs/dbraw/zinc/14/26/46/526142646.db2.gz JAWLPHASPCBPAF-WBVHZDCISA-N 2 2 367.877 1.457 20 10 FDCDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267008 526142658 /nfs/dbraw/zinc/14/26/58/526142658.db2.gz JAWLPHASPCBPAF-WBVHZDCISA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267008 526142668 /nfs/dbraw/zinc/14/26/68/526142668.db2.gz JAWLPHASPCBPAF-WBVHZDCISA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267008 526142676 /nfs/dbraw/zinc/14/26/76/526142676.db2.gz JAWLPHASPCBPAF-WBVHZDCISA-N 2 2 367.877 1.457 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000891249432 774108169 /nfs/dbraw/zinc/10/81/69/774108169.db2.gz QVSBGGNUAHHDDZ-WMZOPIPTSA-N 2 2 355.486 1.931 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3ncnc4c3C[N@H+](C)CC4)cc2)CC1 ZINC001167431085 774646181 /nfs/dbraw/zinc/64/61/81/774646181.db2.gz GIHMVCWUJXPLHM-UHFFFAOYSA-N 2 2 352.486 1.828 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNc3ncnc4c3C[N@@H+](C)CC4)cc2)CC1 ZINC001167431085 774646184 /nfs/dbraw/zinc/64/61/84/774646184.db2.gz GIHMVCWUJXPLHM-UHFFFAOYSA-N 2 2 352.486 1.828 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCC[NH+]1CCCC1)cc2=O ZINC000281507611 825968415 /nfs/dbraw/zinc/96/84/15/825968415.db2.gz YNLVGBOMEYJGKD-UHFFFAOYSA-N 2 2 361.446 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCC[NH+]1CCCC1)cc2=O ZINC000281507611 825968420 /nfs/dbraw/zinc/96/84/20/825968420.db2.gz YNLVGBOMEYJGKD-UHFFFAOYSA-N 2 2 361.446 1.529 20 10 FDCDLP CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911665147 858877483 /nfs/dbraw/zinc/87/74/83/858877483.db2.gz AJLUUONARWZEMJ-CEXWTWQISA-N 2 2 362.518 1.758 20 10 FDCDLP CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911665147 858877493 /nfs/dbraw/zinc/87/74/93/858877493.db2.gz AJLUUONARWZEMJ-CEXWTWQISA-N 2 2 362.518 1.758 20 10 FDCDLP c1cc2c(cc1C[NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CCCO2 ZINC000922336870 877726404 /nfs/dbraw/zinc/72/64/04/877726404.db2.gz FFZMZTRXPFFXCW-HXUWFJFHSA-N 2 2 359.514 1.898 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000732064376 918978138 /nfs/dbraw/zinc/97/81/38/918978138.db2.gz KABYNWFGQJJZEW-LJQANCHMSA-N 2 2 362.518 1.520 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817895135 943069303 /nfs/dbraw/zinc/06/93/03/943069303.db2.gz RCLOXUQZSQLNRK-RTWAWAEBSA-N 2 2 374.529 1.174 20 10 FDCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000818960087 943343250 /nfs/dbraw/zinc/34/32/50/943343250.db2.gz XKWQSYGGDQBJFS-PKOBYXMFSA-N 2 2 373.501 1.053 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)CC1 ZINC000883174300 981995873 /nfs/dbraw/zinc/99/58/73/981995873.db2.gz HRDQXSWVEYIZGM-UHFFFAOYSA-N 2 2 370.501 1.915 20 10 FDCDLP CN(C)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000883371928 982101440 /nfs/dbraw/zinc/10/14/40/982101440.db2.gz FNDYPMMQDNEDHT-SFHVURJKSA-N 2 2 364.509 1.778 20 10 FDCDLP COc1c(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910272 992515583 /nfs/dbraw/zinc/51/55/83/992515583.db2.gz IEAJJUOAAPSYPN-HNNXBMFYSA-N 2 2 364.446 1.521 20 10 FDCDLP COc1c(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910272 992515592 /nfs/dbraw/zinc/51/55/92/992515592.db2.gz IEAJJUOAAPSYPN-HNNXBMFYSA-N 2 2 364.446 1.521 20 10 FDCDLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000285057198 999898955 /nfs/dbraw/zinc/89/89/55/999898955.db2.gz ISSUFVFFEJFEJF-IAGOWNOFSA-N 2 2 361.486 1.593 20 10 FDCDLP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278916083 537343094 /nfs/dbraw/zinc/34/30/94/537343094.db2.gz UBTJHKQSQVHEDR-UHFFFAOYSA-N 2 2 366.462 1.816 20 10 FDCDLP CCN1CC[NH+](CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278916083 537343106 /nfs/dbraw/zinc/34/31/06/537343106.db2.gz UBTJHKQSQVHEDR-UHFFFAOYSA-N 2 2 366.462 1.816 20 10 FDCDLP C/C(=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000891245591 774080214 /nfs/dbraw/zinc/08/02/14/774080214.db2.gz HHWVHIJZBYVWNI-PZSQYBTKSA-N 2 2 374.529 1.750 20 10 FDCDLP CN(C)c1ccc([C@H](CNS(=O)(=O)CC2([NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000908460728 855446524 /nfs/dbraw/zinc/44/65/24/855446524.db2.gz YLOPYZIHAPAMCG-KRWDZBQOSA-N 2 2 368.547 1.369 20 10 FDCDLP C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000918838629 884953578 /nfs/dbraw/zinc/95/35/78/884953578.db2.gz KSIYGGOSUSGPOT-SDXDJHTJSA-N 2 2 372.513 1.333 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000813332080 941366354 /nfs/dbraw/zinc/36/63/54/941366354.db2.gz ZTAQHYXBYUQYIV-INIZCTEOSA-N 2 2 363.502 1.848 20 10 FDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817892373 943067094 /nfs/dbraw/zinc/06/70/94/943067094.db2.gz MVXJMHBQEFKYPV-QAPCUYQASA-N 2 2 351.516 1.542 20 10 FDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000825267523 947100975 /nfs/dbraw/zinc/10/09/75/947100975.db2.gz VELKHVIBXHUPBJ-MRXNPFEDSA-N 2 2 353.894 1.850 20 10 FDCDLP CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844190389 947828767 /nfs/dbraw/zinc/82/87/67/947828767.db2.gz LQOLGEHWRVYNBZ-HXUWFJFHSA-N 2 2 360.502 1.466 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674628 951439029 /nfs/dbraw/zinc/43/90/29/951439029.db2.gz QYIGCXLSFUFYTQ-PMACEKPBSA-N 2 2 372.513 1.464 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858224878 981926546 /nfs/dbraw/zinc/92/65/46/981926546.db2.gz VPKBDVAQGLWKEA-SFHVURJKSA-N 2 2 364.465 1.092 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858224878 981926551 /nfs/dbraw/zinc/92/65/51/981926551.db2.gz VPKBDVAQGLWKEA-SFHVURJKSA-N 2 2 364.465 1.092 20 10 FDCDLP CCOc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883372402 982101873 /nfs/dbraw/zinc/10/18/73/982101873.db2.gz ZJLOLNVHFKRVSS-GOSISDBHSA-N 2 2 363.502 1.677 20 10 FDCDLP Cn1c[nH+]c(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883739436 982428340 /nfs/dbraw/zinc/42/83/40/982428340.db2.gz YMZXQUWDDOSYFQ-UHFFFAOYSA-N 2 2 356.474 1.214 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1c(O)cccc1F ZINC000886651342 986453959 /nfs/dbraw/zinc/45/39/59/986453959.db2.gz BZQQTHAIKGJKNJ-CVEARBPZSA-N 2 2 351.466 1.979 20 10 FDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000876506164 992672653 /nfs/dbraw/zinc/67/26/53/992672653.db2.gz GJRZBBGKHHXXBS-PMACEKPBSA-N 2 2 369.513 1.328 20 10 FDCDLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000285057205 999898916 /nfs/dbraw/zinc/89/89/16/999898916.db2.gz ISSUFVFFEJFEJF-SJORKVTESA-N 2 2 361.486 1.593 20 10 FDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000089926382 524545207 /nfs/dbraw/zinc/54/52/07/524545207.db2.gz OBPQIOKJVYMFQQ-UHFFFAOYSA-N 2 2 370.501 1.267 20 10 FDCDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000186063394 536224537 /nfs/dbraw/zinc/22/45/37/536224537.db2.gz FXHPQVVMHQEKDY-DZGCQCFKSA-N 2 2 367.877 1.629 20 10 FDCDLP COc1c(O)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278255289 537285700 /nfs/dbraw/zinc/28/57/00/537285700.db2.gz PSVXWHBFTQBBOQ-UHFFFAOYSA-N 2 2 365.430 1.853 20 10 FDCDLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367613240 537966876 /nfs/dbraw/zinc/96/68/76/537966876.db2.gz BZTKRMIXJAHJGE-DOTOQJQBSA-N 2 2 365.449 1.505 20 10 FDCDLP CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368024594 537973474 /nfs/dbraw/zinc/97/34/74/537973474.db2.gz ZGWYQXJQVORTIJ-YXMMZVCTSA-N 2 2 359.470 1.738 20 10 FDCDLP CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368024594 537973481 /nfs/dbraw/zinc/97/34/81/537973481.db2.gz ZGWYQXJQVORTIJ-YXMMZVCTSA-N 2 2 359.470 1.738 20 10 FDCDLP COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369364512 538016411 /nfs/dbraw/zinc/01/64/11/538016411.db2.gz SIEPVKOEPTWBNZ-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369364512 538016420 /nfs/dbraw/zinc/01/64/20/538016420.db2.gz SIEPVKOEPTWBNZ-HNNXBMFYSA-N 2 2 362.474 1.369 20 10 FDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891927968 780227222 /nfs/dbraw/zinc/22/72/22/780227222.db2.gz ZXQZNOMRESIGKS-UHFFFAOYSA-N 2 2 365.474 1.395 20 10 FDCDLP O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CN1CC[NH+]1CCOCC1 ZINC000921759088 897723764 /nfs/dbraw/zinc/72/37/64/897723764.db2.gz PYMWIBYSAMQQIG-GOSISDBHSA-N 2 2 359.470 1.034 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000813855151 941481929 /nfs/dbraw/zinc/48/19/29/941481929.db2.gz MAJTUVCUVLQOTP-IBGZPJMESA-N 2 2 374.529 1.854 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649665 970906190 /nfs/dbraw/zinc/90/61/90/970906190.db2.gz MRLORPIVLJTFPB-IBGZPJMESA-N 2 2 363.527 1.590 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649665 970906193 /nfs/dbraw/zinc/90/61/93/970906193.db2.gz MRLORPIVLJTFPB-IBGZPJMESA-N 2 2 363.527 1.590 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH2+]C4CC4)CCC3)CC2)cc1 ZINC000852873494 967680246 /nfs/dbraw/zinc/68/02/46/967680246.db2.gz WRFXMYKERLKNRT-UHFFFAOYSA-N 2 2 372.513 1.608 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNc3nc[nH+]c(N)c3OC)CC2)cc1 ZINC000848643375 976974568 /nfs/dbraw/zinc/97/45/68/976974568.db2.gz LJYCICJLOCBAJZ-UHFFFAOYSA-N 2 2 372.473 1.700 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000883370561 982098625 /nfs/dbraw/zinc/09/86/25/982098625.db2.gz NUXAGTKFDWHWJL-WBVHZDCISA-N 2 2 351.466 1.979 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000872255340 987547421 /nfs/dbraw/zinc/54/74/21/987547421.db2.gz CDEZAZNEBCPSHY-IUPBHXKESA-N 2 2 355.797 1.552 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000872255340 987547425 /nfs/dbraw/zinc/54/74/25/987547425.db2.gz CDEZAZNEBCPSHY-IUPBHXKESA-N 2 2 355.797 1.552 20 10 FDCDLP CCCOc1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(O)c1 ZINC000369444988 989051533 /nfs/dbraw/zinc/05/15/33/989051533.db2.gz VIULMGFLPMPPPG-LJQANCHMSA-N 2 2 363.502 1.629 20 10 FDCDLP CCCOc1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(O)c1 ZINC000369444988 989051544 /nfs/dbraw/zinc/05/15/44/989051544.db2.gz VIULMGFLPMPPPG-LJQANCHMSA-N 2 2 363.502 1.629 20 10 FDCDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874467955 990309168 /nfs/dbraw/zinc/30/91/68/990309168.db2.gz CFFRIGVHKDMUKK-UHFFFAOYSA-N 2 2 360.462 1.947 20 10 FDCDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874467955 990309176 /nfs/dbraw/zinc/30/91/76/990309176.db2.gz CFFRIGVHKDMUKK-UHFFFAOYSA-N 2 2 360.462 1.947 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[NH+](C)C)cc1 ZINC000891247506 774094214 /nfs/dbraw/zinc/09/42/14/774094214.db2.gz HVTVKGFRTGPPNT-QFBILLFUSA-N 2 2 355.486 1.931 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300380 888786625 /nfs/dbraw/zinc/78/66/25/888786625.db2.gz QSCXMBWBNYBLIK-ICSRJNTNSA-N 2 2 364.534 1.141 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000746174105 927648405 /nfs/dbraw/zinc/64/84/05/927648405.db2.gz KMFHVTDBMANVSC-HDICACEKSA-N 2 2 374.529 1.806 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000746174105 927648414 /nfs/dbraw/zinc/64/84/14/927648414.db2.gz KMFHVTDBMANVSC-HDICACEKSA-N 2 2 374.529 1.806 20 10 FDCDLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817946023 943090743 /nfs/dbraw/zinc/09/07/43/943090743.db2.gz QJLUNONITVWOIM-VIFPVBQESA-N 2 2 360.227 1.376 20 10 FDCDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121864 943448485 /nfs/dbraw/zinc/44/84/85/943448485.db2.gz PDQUIMMRINJQEX-QGZVFWFLSA-N 2 2 351.466 1.332 20 10 FDCDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121864 943448489 /nfs/dbraw/zinc/44/84/89/943448489.db2.gz PDQUIMMRINJQEX-QGZVFWFLSA-N 2 2 351.466 1.332 20 10 FDCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121862 943448621 /nfs/dbraw/zinc/44/86/21/943448621.db2.gz PDQUIMMRINJQEX-KRWDZBQOSA-N 2 2 351.466 1.332 20 10 FDCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121862 943448623 /nfs/dbraw/zinc/44/86/23/943448623.db2.gz PDQUIMMRINJQEX-KRWDZBQOSA-N 2 2 351.466 1.332 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cc1 ZINC001136455083 944514889 /nfs/dbraw/zinc/51/48/89/944514889.db2.gz UQYJEGUNLPHPNH-HXUWFJFHSA-N 2 2 374.529 1.806 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cc1 ZINC001136455083 944514893 /nfs/dbraw/zinc/51/48/93/944514893.db2.gz UQYJEGUNLPHPNH-HXUWFJFHSA-N 2 2 374.529 1.806 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674629 951438609 /nfs/dbraw/zinc/43/86/09/951438609.db2.gz QYIGCXLSFUFYTQ-UXHICEINSA-N 2 2 372.513 1.464 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000881851565 980214564 /nfs/dbraw/zinc/21/45/64/980214564.db2.gz MVGUWRYZIZXCJL-KRWDZBQOSA-N 2 2 353.470 1.514 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000925762346 995755051 /nfs/dbraw/zinc/75/50/51/995755051.db2.gz JDMDIZNODPFAHC-HBMCJLEFSA-N 3 2 358.530 1.685 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC(=O)N(C)C)CC2)cc1 ZINC000102560436 525293107 /nfs/dbraw/zinc/29/31/07/525293107.db2.gz VKPDOWNCUOWHGF-KRWDZBQOSA-N 2 2 362.518 1.664 20 10 FDCDLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034004 525793401 /nfs/dbraw/zinc/79/34/01/525793401.db2.gz OGLUWFLDCBQYHV-QUCCMNQESA-N 2 2 374.529 1.726 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034569 537973839 /nfs/dbraw/zinc/97/38/39/537973839.db2.gz BQDDFBWOSXRUBW-DZGCQCFKSA-N 2 2 368.499 1.703 20 10 FDCDLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1O ZINC000093177641 671520928 /nfs/dbraw/zinc/52/09/28/671520928.db2.gz JJDVPLJPKZDPAM-UHFFFAOYSA-N 2 2 370.291 1.751 20 10 FDCDLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1O ZINC000093177641 671520932 /nfs/dbraw/zinc/52/09/32/671520932.db2.gz JJDVPLJPKZDPAM-UHFFFAOYSA-N 2 2 370.291 1.751 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000891247084 774091345 /nfs/dbraw/zinc/09/13/45/774091345.db2.gz HEMUERWSRYLXFA-VQIMIIECSA-N 2 2 355.486 1.931 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[NH+](C)C)cc1 ZINC000891248381 774097444 /nfs/dbraw/zinc/09/74/44/774097444.db2.gz LZFWEYXGABUIQE-WMZOPIPTSA-N 2 2 355.486 1.931 20 10 FDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789462 876534848 /nfs/dbraw/zinc/53/48/48/876534848.db2.gz WAOZTSIXCQUQHO-KDOFPFPSSA-N 2 2 353.894 1.894 20 10 FDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789462 876534860 /nfs/dbraw/zinc/53/48/60/876534860.db2.gz WAOZTSIXCQUQHO-KDOFPFPSSA-N 2 2 353.894 1.894 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000922956531 887583414 /nfs/dbraw/zinc/58/34/14/887583414.db2.gz VVGMMLNXYAIBFH-FQEVSTJZSA-N 2 2 359.514 1.991 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)cc2)CC1 ZINC000922956531 887583423 /nfs/dbraw/zinc/58/34/23/887583423.db2.gz VVGMMLNXYAIBFH-FQEVSTJZSA-N 2 2 359.514 1.991 20 10 FDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934822 943084673 /nfs/dbraw/zinc/08/46/73/943084673.db2.gz JHXIJMUBCJTCLQ-ZFWWWQNUSA-N 2 2 355.429 1.658 20 10 FDCDLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939170 943088342 /nfs/dbraw/zinc/08/83/42/943088342.db2.gz ACOWWIIBAMKDQL-CRAIPNDOSA-N 3 2 362.518 1.663 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000844220230 947852475 /nfs/dbraw/zinc/85/24/75/947852475.db2.gz BKJXQMBWIFYGCI-LJQANCHMSA-N 2 2 362.518 1.649 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000844220230 947852479 /nfs/dbraw/zinc/85/24/79/947852479.db2.gz BKJXQMBWIFYGCI-LJQANCHMSA-N 2 2 362.518 1.649 20 10 FDCDLP COC1CCN(c2ccc(C[N@@H+]3CCN(CC[NH+](C)C)C(=O)C3)cc2)CC1 ZINC000844381473 948041655 /nfs/dbraw/zinc/04/16/55/948041655.db2.gz MTYUESQONSLXRU-UHFFFAOYSA-N 2 2 374.529 1.508 20 10 FDCDLP COC1CCN(c2ccc(C[N@H+]3CCN(CC[NH+](C)C)C(=O)C3)cc2)CC1 ZINC000844381473 948041661 /nfs/dbraw/zinc/04/16/61/948041661.db2.gz MTYUESQONSLXRU-UHFFFAOYSA-N 2 2 374.529 1.508 20 10 FDCDLP CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642619 973079023 /nfs/dbraw/zinc/07/90/23/973079023.db2.gz SXCUMXQBKICTEC-ONEGZZNKSA-N 2 2 357.502 1.409 20 10 FDCDLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883143229 981978066 /nfs/dbraw/zinc/97/80/66/981978066.db2.gz FCTCYVQBJDQNFJ-MRXNPFEDSA-N 2 2 356.474 1.523 20 10 FDCDLP CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1F ZINC000175695444 524992465 /nfs/dbraw/zinc/99/24/65/524992465.db2.gz DPYLQCLAUUJIQP-UHFFFAOYSA-N 2 2 365.497 1.717 20 10 FDCDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(O)c1 ZINC000363860017 537346494 /nfs/dbraw/zinc/34/64/94/537346494.db2.gz TXCJAHZLSIDESS-AEFFLSMTSA-N 2 2 361.486 1.674 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000899099151 845793643 /nfs/dbraw/zinc/79/36/43/845793643.db2.gz WELLVSNOXXWDMY-CRAIPNDOSA-N 2 2 356.474 1.476 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000817895367 943069329 /nfs/dbraw/zinc/06/93/29/943069329.db2.gz UGXVXPIPVSVGIA-UXHICEINSA-N 2 2 363.477 1.643 20 10 FDCDLP Fc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(F)c1N1CCOCC1 ZINC000817934361 943085515 /nfs/dbraw/zinc/08/55/15/943085515.db2.gz DPAYYCAFLMXJEQ-ZWKOTPCHSA-N 2 2 367.440 1.658 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cc1 ZINC001136455082 944514524 /nfs/dbraw/zinc/51/45/24/944514524.db2.gz UQYJEGUNLPHPNH-FQEVSTJZSA-N 2 2 374.529 1.806 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cc1 ZINC001136455082 944514530 /nfs/dbraw/zinc/51/45/30/944514530.db2.gz UQYJEGUNLPHPNH-FQEVSTJZSA-N 2 2 374.529 1.806 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)c4ccco4)CC3)cc2)CC1 ZINC000775638973 970704717 /nfs/dbraw/zinc/70/47/17/970704717.db2.gz QZPODQYHGFIADD-UHFFFAOYSA-N 2 2 368.481 1.989 20 10 FDCDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356851 978333588 /nfs/dbraw/zinc/33/35/88/978333588.db2.gz ZGDDPJXHNANVOS-UHFFFAOYSA-N 2 2 374.510 1.672 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000872255339 987547061 /nfs/dbraw/zinc/54/70/61/987547061.db2.gz CDEZAZNEBCPSHY-BHYNMZESSA-N 2 2 355.797 1.552 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000872255339 987547066 /nfs/dbraw/zinc/54/70/66/987547066.db2.gz CDEZAZNEBCPSHY-BHYNMZESSA-N 2 2 355.797 1.552 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000872256202 987549695 /nfs/dbraw/zinc/54/96/95/987549695.db2.gz QLZKFYVNJVMNLJ-YUTCNCBUSA-N 2 2 355.797 1.552 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000872256202 987549701 /nfs/dbraw/zinc/54/97/01/987549701.db2.gz QLZKFYVNJVMNLJ-YUTCNCBUSA-N 2 2 355.797 1.552 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCNC(=O)C3)CC2)cc1 ZINC000876899982 992959139 /nfs/dbraw/zinc/95/91/39/992959139.db2.gz COJPMVAPCKARIY-QGZVFWFLSA-N 2 2 360.502 1.466 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@]3(OC)CCOC3)CC2)cc1 ZINC000876900776 992959191 /nfs/dbraw/zinc/95/91/91/992959191.db2.gz QSDLCUBRFLRDSE-HXUWFJFHSA-N 2 2 363.502 1.602 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C[C@H]3CCC(=O)N3)CC2)cc1 ZINC000924581060 994850154 /nfs/dbraw/zinc/85/01/54/994850154.db2.gz ZFBCFLBSRJKOGB-ZWKOTPCHSA-N 2 2 374.529 1.854 20 10 FDCDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930071786 1002786290 /nfs/dbraw/zinc/78/62/90/1002786290.db2.gz KXKYVZBSMWLHNS-HXUWFJFHSA-N 2 2 372.513 1.437 20 10 FDCDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930071786 1002786302 /nfs/dbraw/zinc/78/63/02/1002786302.db2.gz KXKYVZBSMWLHNS-HXUWFJFHSA-N 2 2 372.513 1.437 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000186064233 536224667 /nfs/dbraw/zinc/22/46/67/536224667.db2.gz VYTZOTFMQXDDGO-HIFRSBDPSA-N 2 2 351.422 1.115 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000276456358 537525172 /nfs/dbraw/zinc/52/51/72/537525172.db2.gz BKFOBJBKJNCJQO-FPYGCLRLSA-N 2 2 369.469 1.760 20 10 FDCDLP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000289623817 676159794 /nfs/dbraw/zinc/15/97/94/676159794.db2.gz LSFOIJKQFMCFTI-UHFFFAOYSA-N 2 2 352.475 1.960 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[NH+](C)C)cc1 ZINC000891247502 774094172 /nfs/dbraw/zinc/09/41/72/774094172.db2.gz HVTVKGFRTGPPNT-APWZRJJASA-N 2 2 355.486 1.931 20 10 FDCDLP COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000895608422 822670560 /nfs/dbraw/zinc/67/05/60/822670560.db2.gz MEVAVYPTVKJABY-UHFFFAOYSA-N 2 2 360.483 1.971 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000922956532 887583748 /nfs/dbraw/zinc/58/37/48/887583748.db2.gz VVGMMLNXYAIBFH-HXUWFJFHSA-N 2 2 359.514 1.991 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)cc2)CC1 ZINC000922956532 887583753 /nfs/dbraw/zinc/58/37/53/887583753.db2.gz VVGMMLNXYAIBFH-HXUWFJFHSA-N 2 2 359.514 1.991 20 10 FDCDLP OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000817895366 943069051 /nfs/dbraw/zinc/06/90/51/943069051.db2.gz UGXVXPIPVSVGIA-PMACEKPBSA-N 2 2 363.477 1.643 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000818960086 943343054 /nfs/dbraw/zinc/34/30/54/943343054.db2.gz XKWQSYGGDQBJFS-MJGOQNOKSA-N 2 2 373.501 1.053 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C3CC3)C3CC[NH2+]CC3)CC2)cc1 ZINC000844218100 947843581 /nfs/dbraw/zinc/84/35/81/947843581.db2.gz QVJPLMJKWMDGLG-UHFFFAOYSA-N 2 2 372.513 1.560 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C3CC3)C3CC[NH2+]CC3)CC2)cc1 ZINC000844218100 947843591 /nfs/dbraw/zinc/84/35/91/947843591.db2.gz QVJPLMJKWMDGLG-UHFFFAOYSA-N 2 2 372.513 1.560 20 10 FDCDLP Cc1cc(Br)c(O)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC001200192736 974711870 /nfs/dbraw/zinc/71/18/70/974711870.db2.gz DYDRLWYOLDQALM-UHFFFAOYSA-N 2 2 370.291 1.717 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)Cn3cncn3)CC2)cc1 ZINC000850422067 978366035 /nfs/dbraw/zinc/36/60/35/978366035.db2.gz DPXGUISJSSVLOO-KRWDZBQOSA-N 2 2 358.490 1.477 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000881851978 980214138 /nfs/dbraw/zinc/21/41/38/980214138.db2.gz FIEAYFNGEGBVHL-QGZVFWFLSA-N 2 2 353.470 1.514 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000297963797 989799680 /nfs/dbraw/zinc/79/96/80/989799680.db2.gz WYHMMAWMWVYSRC-UHFFFAOYSA-N 2 2 357.458 1.139 20 10 FDCDLP O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2)CC1 ZINC000925487316 995626208 /nfs/dbraw/zinc/62/62/08/995626208.db2.gz MSSUHDCPAIZCLC-WAARBJQMSA-N 2 2 361.511 1.007 20 10 FDCDLP Oc1ccc2ccc(O)c(C[NH+]3CCOCC3)c2c1C[NH+]1CCOCC1 ZINC000047219554 1007003161 /nfs/dbraw/zinc/00/31/61/1007003161.db2.gz OZHBQRYGYXNTOZ-UHFFFAOYSA-N 2 2 358.438 1.915 20 10 FDCDLP C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)nn1 ZINC000779614015 1010391343 /nfs/dbraw/zinc/39/13/43/1010391343.db2.gz NEABBPNRUKZZTC-OAHLLOKOSA-N 2 2 356.474 1.140 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000894310044 816196101 /nfs/dbraw/zinc/19/61/01/816196101.db2.gz RRYYQQFZCBWNQB-WMZOPIPTSA-N 2 2 370.501 1.866 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732820040 920176679 /nfs/dbraw/zinc/17/66/79/920176679.db2.gz XYLYLEXNWLXGGI-KRWDZBQOSA-N 2 2 359.518 1.720 20 10 FDCDLP CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732820040 920176686 /nfs/dbraw/zinc/17/66/86/920176686.db2.gz XYLYLEXNWLXGGI-KRWDZBQOSA-N 2 2 359.518 1.720 20 10 FDCDLP COC1C[NH+](Cc2c(O)ccc3ccc(O)c(C[NH+]4CC(OC)C4)c32)C1 ZINC000738225105 925139746 /nfs/dbraw/zinc/13/97/46/925139746.db2.gz JYSZRXWQQPNUTD-UHFFFAOYSA-N 2 2 358.438 1.912 20 10 FDCDLP CCN1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC001172023033 961412159 /nfs/dbraw/zinc/41/21/59/961412159.db2.gz JVGSZAITQPJOEQ-GOSISDBHSA-N 2 2 374.529 1.808 20 10 FDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001176978827 963628889 /nfs/dbraw/zinc/62/88/89/963628889.db2.gz VSDJPNPJDYBMLD-UHFFFAOYSA-N 2 2 355.486 1.982 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)c3ccccn3)CC2)cc1 ZINC000853097082 967829250 /nfs/dbraw/zinc/82/92/50/967829250.db2.gz VAAKWVYEODYOTL-OAQYLSRUSA-N 2 2 370.497 1.926 20 10 FDCDLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000863642265 973078601 /nfs/dbraw/zinc/07/86/01/973078601.db2.gz MNLVCQGLWFMZHD-UHFFFAOYSA-N 2 2 371.529 1.820 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866715561 975952025 /nfs/dbraw/zinc/95/20/25/975952025.db2.gz CUIIAXBBYIQXLT-XLIONFOSSA-N 2 2 372.513 1.418 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866715561 975952028 /nfs/dbraw/zinc/95/20/28/975952028.db2.gz CUIIAXBBYIQXLT-XLIONFOSSA-N 2 2 372.513 1.418 20 10 FDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000876506167 992672532 /nfs/dbraw/zinc/67/25/32/992672532.db2.gz GJRZBBGKHHXXBS-WOJBJXKFSA-N 2 2 369.513 1.328 20 10 FDCDLP CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000877703961 993456198 /nfs/dbraw/zinc/45/61/98/993456198.db2.gz GWAJQIULYJFLQD-FQEVSTJZSA-N 2 2 361.486 1.592 20 10 FDCDLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](CC)CCO3)CC2)c1O ZINC000371378637 537828865 /nfs/dbraw/zinc/82/88/65/537828865.db2.gz JSAICGIFAOKGAD-SFHVURJKSA-N 2 2 363.502 1.629 20 10 FDCDLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](CC)CCO3)CC2)c1O ZINC000371378637 537828875 /nfs/dbraw/zinc/82/88/75/537828875.db2.gz JSAICGIFAOKGAD-SFHVURJKSA-N 2 2 363.502 1.629 20 10 FDCDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367617986 537966411 /nfs/dbraw/zinc/96/64/11/537966411.db2.gz OCMRMYDPJWIXMN-AEFFLSMTSA-N 2 2 351.466 1.979 20 10 FDCDLP c1cc2c(cc1C[NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CCCO2 ZINC000922336869 877726369 /nfs/dbraw/zinc/72/63/69/877726369.db2.gz FFZMZTRXPFFXCW-FQEVSTJZSA-N 2 2 359.514 1.898 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169495584 928681303 /nfs/dbraw/zinc/68/13/03/928681303.db2.gz GCTJKVANANFQSA-GOSISDBHSA-N 2 2 360.502 1.418 20 10 FDCDLP Oc1ccccc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506139 524496173 /nfs/dbraw/zinc/49/61/73/524496173.db2.gz MBUOBGDRXYECFD-KRWDZBQOSA-N 2 2 369.469 1.777 20 10 FDCDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834837 525556290 /nfs/dbraw/zinc/55/62/90/525556290.db2.gz WUDVHRQXXIBSJH-HXUWFJFHSA-N 2 2 373.545 1.081 20 10 FDCDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834837 525556300 /nfs/dbraw/zinc/55/63/00/525556300.db2.gz WUDVHRQXXIBSJH-HXUWFJFHSA-N 2 2 373.545 1.081 20 10 FDCDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267034 526142965 /nfs/dbraw/zinc/14/29/65/526142965.db2.gz JAWLPHASPCBPAF-NVXWUHKLSA-N 2 2 367.877 1.457 20 10 FDCDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267034 526142974 /nfs/dbraw/zinc/14/29/74/526142974.db2.gz JAWLPHASPCBPAF-NVXWUHKLSA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267034 526142982 /nfs/dbraw/zinc/14/29/82/526142982.db2.gz JAWLPHASPCBPAF-NVXWUHKLSA-N 2 2 367.877 1.457 20 10 FDCDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267034 526142995 /nfs/dbraw/zinc/14/29/95/526142995.db2.gz JAWLPHASPCBPAF-NVXWUHKLSA-N 2 2 367.877 1.457 20 10 FDCDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000186063431 536224609 /nfs/dbraw/zinc/22/46/09/536224609.db2.gz FXHPQVVMHQEKDY-ZFWWWQNUSA-N 2 2 367.877 1.629 20 10 FDCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441592 537328517 /nfs/dbraw/zinc/32/85/17/537328517.db2.gz WBTPMUIOYCPDBB-CYBMUJFWSA-N 2 2 353.419 1.900 20 10 FDCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441592 537328525 /nfs/dbraw/zinc/32/85/25/537328525.db2.gz WBTPMUIOYCPDBB-CYBMUJFWSA-N 2 2 353.419 1.900 20 10 FDCDLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000367613243 537966541 /nfs/dbraw/zinc/96/65/41/537966541.db2.gz BZTKRMIXJAHJGE-WBVHZDCISA-N 2 2 365.449 1.505 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000368028679 537972837 /nfs/dbraw/zinc/97/28/37/537972837.db2.gz FMTZGGWKXWMNPL-BQFCYCMXSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000368028679 537972846 /nfs/dbraw/zinc/97/28/46/537972846.db2.gz FMTZGGWKXWMNPL-BQFCYCMXSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000368028679 537972853 /nfs/dbraw/zinc/97/28/53/537972853.db2.gz FMTZGGWKXWMNPL-BQFCYCMXSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000368028679 537972860 /nfs/dbraw/zinc/97/28/60/537972860.db2.gz FMTZGGWKXWMNPL-BQFCYCMXSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369364514 538015635 /nfs/dbraw/zinc/01/56/35/538015635.db2.gz SIEPVKOEPTWBNZ-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369364514 538015645 /nfs/dbraw/zinc/01/56/45/538015645.db2.gz SIEPVKOEPTWBNZ-OAHLLOKOSA-N 2 2 362.474 1.369 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000891248363 774096141 /nfs/dbraw/zinc/09/61/41/774096141.db2.gz LTPABYCFQJUUAR-SFFCAUCYSA-N 2 2 360.502 1.360 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)cc1 ZINC000894310029 816195188 /nfs/dbraw/zinc/19/51/88/816195188.db2.gz RRYYQQFZCBWNQB-AEFFLSMTSA-N 2 2 370.501 1.866 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@](C)(O)C(F)F)CC2)cc1 ZINC000905027070 851624148 /nfs/dbraw/zinc/62/41/48/851624148.db2.gz PJBUWNOCKAWXIT-SFHVURJKSA-N 2 2 357.445 1.813 20 10 FDCDLP CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911665148 858876833 /nfs/dbraw/zinc/87/68/33/858876833.db2.gz AJLUUONARWZEMJ-GUDVDZBRSA-N 2 2 362.518 1.758 20 10 FDCDLP CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911665148 858876843 /nfs/dbraw/zinc/87/68/43/858876843.db2.gz AJLUUONARWZEMJ-GUDVDZBRSA-N 2 2 362.518 1.758 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000775646842 970797253 /nfs/dbraw/zinc/79/72/53/970797253.db2.gz OYNOQTVEKPMFPX-NRFANRHFSA-N 2 2 358.530 1.735 20 10 FDCDLP CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894427 943068156 /nfs/dbraw/zinc/06/81/56/943068156.db2.gz YSVWUYRENHSZLV-ROUUACIJSA-N 2 2 351.516 1.542 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)CSC)CC2)cc1 ZINC000818942504 943354187 /nfs/dbraw/zinc/35/41/87/943354187.db2.gz FGAATACCADPGJJ-QGZVFWFLSA-N 2 2 353.532 1.521 20 10 FDCDLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2F)C[C@@H](C)O1 ZINC000863550576 973005864 /nfs/dbraw/zinc/00/58/64/973005864.db2.gz AQWOSHRPNYVEPP-JFIYKMOQSA-N 2 2 365.493 1.986 20 10 FDCDLP CCOc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883372403 982101970 /nfs/dbraw/zinc/10/19/70/982101970.db2.gz ZJLOLNVHFKRVSS-SFHVURJKSA-N 2 2 363.502 1.677 20 10 FDCDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631094 989686572 /nfs/dbraw/zinc/68/65/72/989686572.db2.gz ONOKGCYKIDEURV-AEFFLSMTSA-N 2 2 363.502 1.800 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281884 /nfs/dbraw/zinc/28/18/84/524281884.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281891 /nfs/dbraw/zinc/28/18/91/524281891.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281898 /nfs/dbraw/zinc/28/18/98/524281898.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281906 /nfs/dbraw/zinc/28/19/06/524281906.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 2 374.529 1.758 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)cc2=O ZINC000123892706 524855834 /nfs/dbraw/zinc/85/58/34/524855834.db2.gz KCCGKWGNGGOCDG-OCCSQVGLSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)cc2=O ZINC000123892706 524855842 /nfs/dbraw/zinc/85/58/42/524855842.db2.gz KCCGKWGNGGOCDG-OCCSQVGLSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)cc2=O ZINC000123892706 524855851 /nfs/dbraw/zinc/85/58/51/524855851.db2.gz KCCGKWGNGGOCDG-OCCSQVGLSA-N 2 2 361.446 1.526 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)cc2=O ZINC000123892706 524855861 /nfs/dbraw/zinc/85/58/61/524855861.db2.gz KCCGKWGNGGOCDG-OCCSQVGLSA-N 2 2 361.446 1.526 20 10 FDCDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729346722 811168188 /nfs/dbraw/zinc/16/81/88/811168188.db2.gz CIEUNYZGBXTKRK-HXUWFJFHSA-N 2 2 374.529 1.808 20 10 FDCDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729346722 811168199 /nfs/dbraw/zinc/16/81/99/811168199.db2.gz CIEUNYZGBXTKRK-HXUWFJFHSA-N 2 2 374.529 1.808 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679718 905360353 /nfs/dbraw/zinc/36/03/53/905360353.db2.gz UULOIMLUZLWAGR-SFHVURJKSA-N 2 2 351.516 1.447 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679718 905360376 /nfs/dbraw/zinc/36/03/76/905360376.db2.gz UULOIMLUZLWAGR-SFHVURJKSA-N 2 2 351.516 1.447 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817895133 943068964 /nfs/dbraw/zinc/06/89/64/943068964.db2.gz RCLOXUQZSQLNRK-LEWJYISDSA-N 2 2 374.529 1.174 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246494 947089819 /nfs/dbraw/zinc/08/98/19/947089819.db2.gz BDAQKAPTSGAKEO-CYBMUJFWSA-N 2 2 370.291 1.832 20 10 FDCDLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246494 947089829 /nfs/dbraw/zinc/08/98/29/947089829.db2.gz BDAQKAPTSGAKEO-CYBMUJFWSA-N 2 2 370.291 1.832 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000847400663 975575033 /nfs/dbraw/zinc/57/50/33/975575033.db2.gz SHSJCSJVOMIICR-KRWDZBQOSA-N 2 2 360.502 1.275 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000847400663 975575046 /nfs/dbraw/zinc/57/50/46/975575046.db2.gz SHSJCSJVOMIICR-KRWDZBQOSA-N 2 2 360.502 1.275 20 10 FDCDLP C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2O)(N2CCOCC2)CC1 ZINC000883145627 981979351 /nfs/dbraw/zinc/97/93/51/981979351.db2.gz IGDYBPKHJHGCFQ-UHFFFAOYSA-N 2 2 355.429 1.557 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000873009112 988404818 /nfs/dbraw/zinc/40/48/18/988404818.db2.gz HMRVASSENZTZNX-QGZVFWFLSA-N 2 2 360.502 1.466 20 10 FDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778710 995763768 /nfs/dbraw/zinc/76/37/68/995763768.db2.gz WTOXYWMEHHRXPC-MAUKXSAKSA-N 2 2 360.502 1.245 20 10 FDCDLP COc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000179304987 525554614 /nfs/dbraw/zinc/55/46/14/525554614.db2.gz SLHQYDSMFIUBNE-UHFFFAOYSA-N 2 2 350.463 1.226 20 10 FDCDLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000181346976 525843308 /nfs/dbraw/zinc/84/33/08/525843308.db2.gz SDCFZPIUYIPFBZ-INIZCTEOSA-N 2 2 367.877 1.377 20 10 FDCDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272557802 537299566 /nfs/dbraw/zinc/29/95/66/537299566.db2.gz ZPISQCMCWNPCLZ-HWKANZROSA-N 2 2 359.470 1.786 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034571 537973789 /nfs/dbraw/zinc/97/37/89/537973789.db2.gz BQDDFBWOSXRUBW-UKRRQHHQSA-N 2 2 368.499 1.703 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[NH+](C)C)cc1 ZINC000891247504 774093786 /nfs/dbraw/zinc/09/37/86/774093786.db2.gz HVTVKGFRTGPPNT-LPHOPBHVSA-N 2 2 355.486 1.931 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000891248365 774096303 /nfs/dbraw/zinc/09/63/03/774096303.db2.gz LTPABYCFQJUUAR-UEKDZROGSA-N 2 2 360.502 1.360 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC3(OC)OC)CC2)cc1 ZINC000924579909 787818669 /nfs/dbraw/zinc/81/86/69/787818669.db2.gz NJQLTEWUECQMHJ-IBGZPJMESA-N 2 2 363.502 1.948 20 10 FDCDLP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000925776394 807119954 /nfs/dbraw/zinc/11/99/54/807119954.db2.gz FWDPFKDTPQBUKX-PMACEKPBSA-N 2 2 372.513 1.245 20 10 FDCDLP C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000918838628 884953334 /nfs/dbraw/zinc/95/33/34/884953334.db2.gz KSIYGGOSUSGPOT-OBGWFSINSA-N 2 2 372.513 1.333 20 10 FDCDLP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000817889889 943044934 /nfs/dbraw/zinc/04/49/34/943044934.db2.gz QCGGFQNJRRHKTC-YZGWKJHDSA-N 2 2 372.513 1.245 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000818942693 943354143 /nfs/dbraw/zinc/35/41/43/943354143.db2.gz IIKBKDRFMHUKNY-IBGZPJMESA-N 2 2 373.501 1.055 20 10 FDCDLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700929 971563256 /nfs/dbraw/zinc/56/32/56/971563256.db2.gz SLNSWLXKOVDENV-MRXNPFEDSA-N 2 2 353.532 1.693 20 10 FDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256297 966985378 /nfs/dbraw/zinc/98/53/78/966985378.db2.gz WJLLRZPZBQOQNB-QZTJIDSGSA-N 2 2 374.529 1.726 20 10 FDCDLP CCN(CC)c1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642256 973078185 /nfs/dbraw/zinc/07/81/85/973078185.db2.gz MIYXPAYXTTUXOK-UHFFFAOYSA-N 2 2 359.518 1.676 20 10 FDCDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901171 973632874 /nfs/dbraw/zinc/63/28/74/973632874.db2.gz PZINEZKGNHGDIJ-NRFANRHFSA-N 3 2 360.546 1.885 20 10 FDCDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901171 973632881 /nfs/dbraw/zinc/63/28/81/973632881.db2.gz PZINEZKGNHGDIJ-NRFANRHFSA-N 3 2 360.546 1.885 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNc3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000865414809 974285014 /nfs/dbraw/zinc/28/50/14/974285014.db2.gz DBVKEKHBTRSDGC-UHFFFAOYSA-N 2 2 357.462 1.395 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282273 /nfs/dbraw/zinc/28/22/73/524282273.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282274 /nfs/dbraw/zinc/28/22/74/524282274.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282277 /nfs/dbraw/zinc/28/22/77/524282277.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 2 374.529 1.758 20 10 FDCDLP COc1ccc(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282279 /nfs/dbraw/zinc/28/22/79/524282279.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 2 374.529 1.758 20 10 FDCDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000186063611 536224601 /nfs/dbraw/zinc/22/46/01/536224601.db2.gz OIYKQYDPGHQLAX-HIFRSBDPSA-N 2 2 351.422 1.115 20 10 FDCDLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108783 811721989 /nfs/dbraw/zinc/72/19/89/811721989.db2.gz NNYUZCQPLFQLFC-FUHWJXTLSA-N 2 2 361.486 1.674 20 10 FDCDLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108787 811722232 /nfs/dbraw/zinc/72/22/32/811722232.db2.gz NNYUZCQPLFQLFC-SJLPKXTDSA-N 2 2 361.486 1.674 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000844190380 947826418 /nfs/dbraw/zinc/82/64/18/947826418.db2.gz LBONFOYCXQGSFJ-VQIMIIECSA-N 2 2 360.502 1.322 20 10 FDCDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1O ZINC000854232117 968701761 /nfs/dbraw/zinc/70/17/61/968701761.db2.gz MDPBAGSLBAINLO-QMMMGPOBSA-N 2 2 353.220 1.960 20 10 FDCDLP COc1ccc(N2CC[NH+](CCCNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000854309991 968763490 /nfs/dbraw/zinc/76/34/90/968763490.db2.gz PEGAFUPTQVYWLQ-UHFFFAOYSA-N 2 2 357.458 1.289 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000881851185 980213219 /nfs/dbraw/zinc/21/32/19/980213219.db2.gz PJNVDZZXSCUJTM-QGZVFWFLSA-N 2 2 353.470 1.514 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)CC1 ZINC000883074523 981924713 /nfs/dbraw/zinc/92/47/13/981924713.db2.gz AVXRWTZKNZTTAU-UHFFFAOYSA-N 2 2 368.485 1.745 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370446 982098267 /nfs/dbraw/zinc/09/82/67/982098267.db2.gz LMIMNWDSBXKWHN-IAGOWNOFSA-N 2 2 363.502 1.848 20 10 FDCDLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000889659293 998508029 /nfs/dbraw/zinc/50/80/29/998508029.db2.gz UKQDTSYBQPHYCP-MRXNPFEDSA-N 2 2 354.458 1.059 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)cc2=O ZINC000080973899 523923448 /nfs/dbraw/zinc/92/34/48/523923448.db2.gz GFCSIAUJNKRRQF-GFCCVEGCSA-N 2 2 370.413 1.714 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)cc2=O ZINC000080973899 523923453 /nfs/dbraw/zinc/92/34/53/523923453.db2.gz GFCSIAUJNKRRQF-GFCCVEGCSA-N 2 2 370.413 1.714 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(n3cc[nH+]c3)CC1)cc2=O ZINC000109794642 526186891 /nfs/dbraw/zinc/18/68/91/526186891.db2.gz JBOHXNJQSHNSFP-UHFFFAOYSA-N 2 2 370.413 1.645 20 10 FDCDLP CN(C)c1ccc([C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000891248367 774096024 /nfs/dbraw/zinc/09/60/24/774096024.db2.gz LTPABYCFQJUUAR-VOFKWLDRSA-N 2 2 360.502 1.360 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1OC ZINC000892553317 787238543 /nfs/dbraw/zinc/23/85/43/787238543.db2.gz KVFIXGIQLBKWES-GOSISDBHSA-N 2 2 372.465 1.918 20 10 FDCDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1OC ZINC000892553317 787238545 /nfs/dbraw/zinc/23/85/45/787238545.db2.gz KVFIXGIQLBKWES-GOSISDBHSA-N 2 2 372.465 1.918 20 10 FDCDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)CC1 ZINC000918906845 885011171 /nfs/dbraw/zinc/01/11/71/885011171.db2.gz ROEUWQNTKLYFFX-CYBMUJFWSA-N 2 2 350.438 1.499 20 10 FDCDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)CC1 ZINC000918906845 885011184 /nfs/dbraw/zinc/01/11/84/885011184.db2.gz ROEUWQNTKLYFFX-CYBMUJFWSA-N 2 2 350.438 1.499 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679715 905360502 /nfs/dbraw/zinc/36/05/02/905360502.db2.gz UULOIMLUZLWAGR-GOSISDBHSA-N 2 2 351.516 1.447 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679715 905360520 /nfs/dbraw/zinc/36/05/20/905360520.db2.gz UULOIMLUZLWAGR-GOSISDBHSA-N 2 2 351.516 1.447 20 10 FDCDLP COc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Br ZINC001205690960 970806798 /nfs/dbraw/zinc/80/67/98/970806798.db2.gz ZJPLHAYAKPQDMI-OAHLLOKOSA-N 2 2 359.264 1.839 20 10 FDCDLP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177896445 964014166 /nfs/dbraw/zinc/01/41/66/964014166.db2.gz CFDYVCXTMULUIP-QGZVFWFLSA-N 2 2 370.497 1.509 20 10 FDCDLP COc1c(O)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000373206086 992003133 /nfs/dbraw/zinc/00/31/33/992003133.db2.gz MTFVMIAZGXWLSZ-CYBMUJFWSA-N 2 2 365.430 1.900 20 10 FDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000876506166 992672205 /nfs/dbraw/zinc/67/22/05/992672205.db2.gz GJRZBBGKHHXXBS-VQTJNVASSA-N 2 2 369.513 1.328 20 10 FDCDLP COc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000042289747 1006547853 /nfs/dbraw/zinc/54/78/53/1006547853.db2.gz FZMIHVGIKISYLX-UHFFFAOYSA-N 2 2 372.513 1.560 20 10 FDCDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000186063590 536224703 /nfs/dbraw/zinc/22/47/03/536224703.db2.gz OIYKQYDPGHQLAX-ZFWWWQNUSA-N 2 2 351.422 1.115 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000275610503 772787345 /nfs/dbraw/zinc/78/73/45/772787345.db2.gz HFPHPTKSDYRUNK-UHFFFAOYSA-N 2 2 355.442 1.224 20 10 FDCDLP CN(C)c1ccc([C@@H](CNC(=O)NCCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000891428901 777068936 /nfs/dbraw/zinc/06/89/36/777068936.db2.gz GTACGDOTCXDRGT-GOSISDBHSA-N 2 2 358.490 1.941 20 10 FDCDLP COc1c(O)c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278880436 806931367 /nfs/dbraw/zinc/93/13/67/806931367.db2.gz OAZRTUUZVJAKQC-UHFFFAOYSA-N 2 2 366.462 1.672 20 10 FDCDLP COc1c(O)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278880436 806931369 /nfs/dbraw/zinc/93/13/69/806931369.db2.gz OAZRTUUZVJAKQC-UHFFFAOYSA-N 2 2 366.462 1.672 20 10 FDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789461 876535113 /nfs/dbraw/zinc/53/51/13/876535113.db2.gz WAOZTSIXCQUQHO-KBXCAEBGSA-N 2 2 353.894 1.894 20 10 FDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789461 876535122 /nfs/dbraw/zinc/53/51/22/876535122.db2.gz WAOZTSIXCQUQHO-KBXCAEBGSA-N 2 2 353.894 1.894 20 10 FDCDLP CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894426 943068381 /nfs/dbraw/zinc/06/83/81/943068381.db2.gz YSVWUYRENHSZLV-MSOLQXFVSA-N 2 2 351.516 1.542 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc(C4CCOCC4)[nH]3)cc2)CC1 ZINC000865687745 974422618 /nfs/dbraw/zinc/42/26/18/974422618.db2.gz UVDXIWFIZOAOJB-UHFFFAOYSA-N 2 2 370.501 1.740 20 10 FDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc[nH+]c3C3CC3)CC2)cc1 ZINC000871983327 987406881 /nfs/dbraw/zinc/40/68/81/987406881.db2.gz BHOQUUPGNXBXBO-GOSISDBHSA-N 2 2 356.470 1.952 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)cc2=O ZINC000150759844 524485395 /nfs/dbraw/zinc/48/53/95/524485395.db2.gz HGMVPTUEZWOQCZ-AWEZNQCLSA-N 2 2 373.457 1.529 20 10 FDCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)cc2=O ZINC000150759844 524485400 /nfs/dbraw/zinc/48/54/00/524485400.db2.gz HGMVPTUEZWOQCZ-AWEZNQCLSA-N 2 2 373.457 1.529 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817895136 943069207 /nfs/dbraw/zinc/06/92/07/943069207.db2.gz RCLOXUQZSQLNRK-SFTDATJTSA-N 2 2 374.529 1.174 20 10 FDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000817895358 943069381 /nfs/dbraw/zinc/06/93/81/943069381.db2.gz UECAQIOLJBAMJV-MSOLQXFVSA-N 2 2 362.518 1.174 20 10 FDCDLP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(F)c1N1CCOCC1 ZINC000817934360 943085367 /nfs/dbraw/zinc/08/53/67/943085367.db2.gz DPAYYCAFLMXJEQ-ROUUACIJSA-N 2 2 367.440 1.658 20 10 FDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000775368771 967638039 /nfs/dbraw/zinc/63/80/39/967638039.db2.gz FDNYNNVSKLCUQZ-CQSZACIVSA-N 2 2 365.474 1.278 20 10 FDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccncc3N)CC2)cc1 ZINC000882880733 981770668 /nfs/dbraw/zinc/77/06/68/981770668.db2.gz GKMWGHUDVSCOCI-UHFFFAOYSA-N 2 2 355.486 1.974 20 10 FDCDLP COc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000858224864 981926422 /nfs/dbraw/zinc/92/64/22/981926422.db2.gz VDAZIUKHUSZVGE-IBGZPJMESA-N 2 2 360.502 1.593 20 10 FDCDLP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000858224864 981926424 /nfs/dbraw/zinc/92/64/24/981926424.db2.gz VDAZIUKHUSZVGE-IBGZPJMESA-N 2 2 360.502 1.593 20 10 FDCDLP Oc1cc2c(cc1C[NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)OCO2 ZINC000883371865 982100365 /nfs/dbraw/zinc/10/03/65/982100365.db2.gz CBSWJUYPOCVCLR-MRXNPFEDSA-N 2 2 363.458 1.007 20 10 FDCDLP Cc1cccc(O)c1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000876990253 992997121 /nfs/dbraw/zinc/99/71/21/992997121.db2.gz VSTKLADAFDKXIK-UHFFFAOYSA-N 2 2 354.454 1.924 20 10 FDCDLP CCOC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000877703963 993456496 /nfs/dbraw/zinc/45/64/96/993456496.db2.gz GWAJQIULYJFLQD-HXUWFJFHSA-N 2 2 361.486 1.592 20 10 FDCDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834839 525556115 /nfs/dbraw/zinc/55/61/15/525556115.db2.gz WUDVHRQXXIBSJH-FQEVSTJZSA-N 2 2 373.545 1.081 20 10 FDCDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834839 525556122 /nfs/dbraw/zinc/55/61/22/525556122.db2.gz WUDVHRQXXIBSJH-FQEVSTJZSA-N 2 2 373.545 1.081 20 10 FDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906697 537016574 /nfs/dbraw/zinc/01/65/74/537016574.db2.gz MAZLBVWPWNOTSW-DOTOQJQBSA-N 2 2 350.482 1.559 20 10 FDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906697 537016580 /nfs/dbraw/zinc/01/65/80/537016580.db2.gz MAZLBVWPWNOTSW-DOTOQJQBSA-N 2 2 350.482 1.559 20 10 FDCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000762110288 875201662 /nfs/dbraw/zinc/20/16/62/875201662.db2.gz JKJAMDIWMSYYLN-UHFFFAOYSA-N 2 2 374.529 1.665 20 10 FDCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300378 888786812 /nfs/dbraw/zinc/78/68/12/888786812.db2.gz QSCXMBWBNYBLIK-AZUAARDMSA-N 2 2 364.534 1.141 20 10 FDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888137 943044119 /nfs/dbraw/zinc/04/41/19/943044119.db2.gz BPOWDDRHGIWNNO-NXHRZFHOSA-N 2 2 360.502 1.245 20 10 FDCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944340 943091038 /nfs/dbraw/zinc/09/10/38/943091038.db2.gz ZLVKJKHRBXKXFC-FZKQIMNGSA-N 2 2 362.499 1.751 20 10 FDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(-c4ccccn4)n[nH]3)cc2)CC1 ZINC000825188634 947066516 /nfs/dbraw/zinc/06/65/16/947066516.db2.gz LJWRIBJVHGZJGU-UHFFFAOYSA-N 2 2 363.469 1.908 20 10 FDCDLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000863643604 973079843 /nfs/dbraw/zinc/07/98/43/973079843.db2.gz PRMFPPWMXNQWOV-HIFRSBDPSA-N 2 2 369.824 1.942 20 10 FDCDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1c(O)cccc1F ZINC000886651343 986453699 /nfs/dbraw/zinc/45/36/99/986453699.db2.gz BZQQTHAIKGJKNJ-HOTGVXAUSA-N 2 2 351.466 1.979 20 10 FDCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(N)nc3N)cc2F)CC1 ZINC000877011332 993008579 /nfs/dbraw/zinc/00/85/79/993008579.db2.gz AGFVIABTAMHWOP-UHFFFAOYSA-N 2 2 359.453 1.212 20 10 FDCDLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093046774 1007510955 /nfs/dbraw/zinc/51/09/55/1007510955.db2.gz GNCOFPCZDSPZAH-UHFFFAOYSA-N 2 2 372.513 1.263 20 10 FDCDLP O=C1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CN1CC[NH+]1CCOCC1 ZINC000191135553 537198365 /nfs/dbraw/zinc/19/83/65/537198365.db2.gz MNSZVVYNGUFLHL-LBPRGKRZSA-N 2 2 371.840 1.207 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000368028680 537972980 /nfs/dbraw/zinc/97/29/80/537972980.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000368028680 537972987 /nfs/dbraw/zinc/97/29/87/537972987.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000368028680 537972993 /nfs/dbraw/zinc/97/29/93/537972993.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 2 2 363.502 1.799 20 10 FDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000368028680 537973001 /nfs/dbraw/zinc/97/30/01/537973001.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 2 2 363.502 1.799 20 10 FDCDLP CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368024593 537973576 /nfs/dbraw/zinc/97/35/76/537973576.db2.gz ZGWYQXJQVORTIJ-UKINESCASA-N 2 2 359.470 1.738 20 10 FDCDLP CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368024593 537973583 /nfs/dbraw/zinc/97/35/83/537973583.db2.gz ZGWYQXJQVORTIJ-UKINESCASA-N 2 2 359.470 1.738 20 10 FDCDLP