smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCC[N@H+]1CCC[C@H](O)C1)N1CCC[NH+](Cc2cccs2)CC1 ZINC000426522914 231235661 /nfs/dbraw/zinc/23/56/61/231235661.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 2 0 380.558 1.812 50 0 GDAARP Cc1nn(C)cc1C[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011946240 204363673 /nfs/dbraw/zinc/36/36/73/204363673.db2.gz OJAHBLUCERAHKC-IBGZPJMESA-N 2 0 390.553 1.807 50 0 GDAARP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071712181 205287434 /nfs/dbraw/zinc/28/74/34/205287434.db2.gz KRJSIDYZWMMAJL-IBGZPJMESA-N 2 0 385.556 1.626 50 0 GDAARP O=C(NCCCO)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759458 205294114 /nfs/dbraw/zinc/29/41/14/205294114.db2.gz RYBZKDHKUAIISI-FQEVSTJZSA-N 2 0 385.552 1.829 50 0 GDAARP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072151708 205313117 /nfs/dbraw/zinc/31/31/17/205313117.db2.gz KCULEMRXXURNCJ-LJQANCHMSA-N 2 0 375.513 1.939 50 0 GDAARP COc1ccc(C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)cc1OCC[NH3+] ZINC000426503989 533295047 /nfs/dbraw/zinc/29/50/47/533295047.db2.gz LSOYUXBAJWXPIY-UHFFFAOYSA-N 2 0 390.528 1.275 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1 ZINC000019745361 570213609 /nfs/dbraw/zinc/21/36/09/570213609.db2.gz LIVPQHZUAMFFKN-LJQANCHMSA-N 2 0 381.586 1.907 50 0 GDAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000020351391 570252476 /nfs/dbraw/zinc/25/24/76/570252476.db2.gz LGUTUQCLUIAMIV-UHFFFAOYSA-N 2 0 384.524 1.834 50 0 GDAARP COc1cc(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000022241625 570538546 /nfs/dbraw/zinc/53/85/46/570538546.db2.gz CARWONGOTLHNNU-UHFFFAOYSA-N 2 0 393.528 1.992 50 0 GDAARP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCSC)cc2)CC1 ZINC000012458608 570670254 /nfs/dbraw/zinc/67/02/54/570670254.db2.gz CJFBICTXMKBSEH-SFHVURJKSA-N 2 0 396.553 1.764 50 0 GDAARP C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012582749 570684552 /nfs/dbraw/zinc/68/45/52/570684552.db2.gz NRHRTQXQDGYVOV-FQEVSTJZSA-N 2 0 390.572 1.842 50 0 GDAARP COc1cc(C[NH2+]C2CCN(C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012752620 570709628 /nfs/dbraw/zinc/70/96/28/570709628.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 2 0 379.545 1.959 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cc4c(cc3OC)CCC4)C[C@@H]2CO)CC1 ZINC000095377335 571065276 /nfs/dbraw/zinc/06/52/76/571065276.db2.gz CDELORSDIAJUNH-FGZHOGPDSA-N 2 0 387.568 1.862 50 0 GDAARP Cc1nncn1CC[N@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000095509478 571080736 /nfs/dbraw/zinc/08/07/36/571080736.db2.gz WRKYTTLJWHKTNK-SFHVURJKSA-N 2 0 376.549 1.631 50 0 GDAARP OCC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095510983 571082081 /nfs/dbraw/zinc/08/20/81/571082081.db2.gz DHCLTWXKGOEJKV-NRFANRHFSA-N 2 0 391.556 1.412 50 0 GDAARP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479526 205285650 /nfs/dbraw/zinc/28/56/50/205285650.db2.gz FWYVUTVRCAEHDQ-IBGZPJMESA-N 2 0 385.556 1.626 50 0 GDAARP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071551642 205285784 /nfs/dbraw/zinc/28/57/84/205285784.db2.gz ZELJQDKVJKGZPX-OAQYLSRUSA-N 2 0 399.583 1.955 50 0 GDAARP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071748584 205288811 /nfs/dbraw/zinc/28/88/11/205288811.db2.gz IXZFUVQPGHGPSU-IBGZPJMESA-N 2 0 385.556 1.708 50 0 GDAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CC(O)C1 ZINC000082125673 205387857 /nfs/dbraw/zinc/38/78/57/205387857.db2.gz KNEPYCSNBKGEKR-UHFFFAOYSA-N 2 0 385.552 1.999 50 0 GDAARP O[C@H](COc1ccccc1C[NH2+]CCc1cnccn1)C[NH+]1CCSCC1 ZINC000011815747 221128311 /nfs/dbraw/zinc/12/83/11/221128311.db2.gz MAFLOMNWBHZANQ-IBGZPJMESA-N 2 0 388.537 1.597 50 0 GDAARP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020540263 570266635 /nfs/dbraw/zinc/26/66/35/570266635.db2.gz XMWSFJSQNSPPQA-SFHVURJKSA-N 2 0 395.544 1.197 50 0 GDAARP COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000072280924 570465377 /nfs/dbraw/zinc/46/53/77/570465377.db2.gz NJOZNBZZCMJAOR-QGZVFWFLSA-N 2 0 377.529 1.785 50 0 GDAARP Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)c1 ZINC000035422054 570553164 /nfs/dbraw/zinc/55/31/64/570553164.db2.gz RWRGMJVJCOHRKP-UHFFFAOYSA-N 2 0 386.540 1.745 50 0 GDAARP COc1cc(C[NH2+]C2CCN(C)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012752625 570709542 /nfs/dbraw/zinc/70/95/42/570709542.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 2 0 379.545 1.959 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CO)CC1 ZINC000091965923 571038047 /nfs/dbraw/zinc/03/80/47/571038047.db2.gz QWPMJTRAHNRZDP-NHCUHLMSSA-N 2 0 383.540 1.755 50 0 GDAARP CN(C)[C@H](C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000095360492 571055265 /nfs/dbraw/zinc/05/52/65/571055265.db2.gz DBFYBSBPTWRAGY-FQEVSTJZSA-N 2 0 376.520 1.914 50 0 GDAARP COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000095526115 571090831 /nfs/dbraw/zinc/09/08/31/571090831.db2.gz OATCJAKDMNVJSM-FQEVSTJZSA-N 2 0 375.513 1.397 50 0 GDAARP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426503236 231231848 /nfs/dbraw/zinc/23/18/48/231231848.db2.gz GZCNLYCKUZDPJX-JOCHJYFZSA-N 2 0 385.556 1.589 50 0 GDAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011769524 204353237 /nfs/dbraw/zinc/35/32/37/204353237.db2.gz MEHOXFDCRMHURX-GOSISDBHSA-N 2 0 398.569 1.998 50 0 GDAARP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071748585 205290283 /nfs/dbraw/zinc/29/02/83/205290283.db2.gz IXZFUVQPGHGPSU-LJQANCHMSA-N 2 0 385.556 1.708 50 0 GDAARP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775822 205297791 /nfs/dbraw/zinc/29/77/91/205297791.db2.gz RATDREQBQAAOLM-OAQYLSRUSA-N 2 0 399.583 1.970 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](CCCSC)CC3)OC2=O)CC1 ZINC000072432202 205351119 /nfs/dbraw/zinc/35/11/19/205351119.db2.gz JSQKQPXTCRWTJX-UHFFFAOYSA-N 2 0 384.590 1.664 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+]([C@H]4CCCOC4)CC3)OC2=O)CC1 ZINC000072407313 205346129 /nfs/dbraw/zinc/34/61/29/205346129.db2.gz SIZYTKDMYZANQJ-IBGZPJMESA-N 2 0 394.560 1.478 50 0 GDAARP COCCn1c(CN2CCC([NH+]3CCCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240971681 206127436 /nfs/dbraw/zinc/12/74/36/206127436.db2.gz UBAAFMPLSDUCMB-QAQDUYKDSA-N 2 0 376.549 1.580 50 0 GDAARP [NH3+][C@H]1C[C@H](c2nnc(CN3CC[NH+](C4CCSCC4)CC3)n2C2CC2)C1 ZINC000243892534 206128983 /nfs/dbraw/zinc/12/89/83/206128983.db2.gz AIJFNQPUJFBYDT-SHTZXODSSA-N 2 0 376.574 1.831 50 0 GDAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096140754 570213228 /nfs/dbraw/zinc/21/32/28/570213228.db2.gz UVVPROUIPKUZSL-UHFFFAOYSA-N 2 0 394.567 1.909 50 0 GDAARP C[NH+]1CCN(CCNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)CC1 ZINC000021663505 570294273 /nfs/dbraw/zinc/29/42/73/570294273.db2.gz MTJOOEXSHBFRTG-UHFFFAOYSA-N 2 0 391.585 1.637 50 0 GDAARP O=C1NCCN1CC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012057718 570603093 /nfs/dbraw/zinc/60/30/93/570603093.db2.gz ILZVJYCGOYSWCX-GOSISDBHSA-N 2 0 376.501 1.027 50 0 GDAARP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014534746 570848199 /nfs/dbraw/zinc/84/81/99/570848199.db2.gz SJIKAOFNCYZVHC-FGZHOGPDSA-N 3 0 386.584 1.941 50 0 GDAARP NC(=O)C1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000014974346 570867932 /nfs/dbraw/zinc/86/79/32/570867932.db2.gz HBKCFADRIRHAEJ-SFHVURJKSA-N 2 0 393.553 1.172 50 0 GDAARP Cc1cccc2cc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)c(=O)[nH]c12 ZINC000095377783 571065034 /nfs/dbraw/zinc/06/50/34/571065034.db2.gz POQYLESNQPIXEN-WOJBJXKFSA-N 2 0 384.524 1.124 50 0 GDAARP CNC(=O)CC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095517697 571084706 /nfs/dbraw/zinc/08/47/06/571084706.db2.gz QCKKCOUZFGSLLA-LJQANCHMSA-N 2 0 377.529 1.870 50 0 GDAARP COCCOC1CC[NH+](Cc2cc(OC)ccc2OC[C@H](O)C[NH+](C)C)CC1 ZINC000011842823 204357138 /nfs/dbraw/zinc/35/71/38/204357138.db2.gz BQLLDRFHXFATTR-GOSISDBHSA-N 2 0 396.528 1.624 50 0 GDAARP COc1cc(C[NH2+]CCn2cccn2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012049972 204368909 /nfs/dbraw/zinc/36/89/09/204368909.db2.gz IXHJOKXVOWUYOK-SFHVURJKSA-N 2 0 376.501 1.761 50 0 GDAARP COc1ccc(C[NH2+]C(CO)CO)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012209817 204384474 /nfs/dbraw/zinc/38/44/74/204384474.db2.gz VGRLMPWZACFLSV-LJQANCHMSA-N 2 0 396.528 1.144 50 0 GDAARP COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)c1 ZINC000065314921 205229085 /nfs/dbraw/zinc/22/90/85/205229085.db2.gz HRVVHRFCMMPDHO-UHFFFAOYSA-N 2 0 388.512 1.055 50 0 GDAARP C[NH+](C)CCCNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067966506 205269989 /nfs/dbraw/zinc/26/99/89/205269989.db2.gz DLTHIGMCQNMYDM-UHFFFAOYSA-N 2 0 375.517 1.382 50 0 GDAARP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071707871 205286686 /nfs/dbraw/zinc/28/66/86/205286686.db2.gz JVSGMXRMWGINDR-FQEVSTJZSA-N 2 0 385.556 1.580 50 0 GDAARP [NH3+]C1(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CCC1 ZINC000071751900 205290993 /nfs/dbraw/zinc/29/09/93/205290993.db2.gz WWVSYKZKXKGCOJ-QGZVFWFLSA-N 2 0 399.539 1.282 50 0 GDAARP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071758761 205293486 /nfs/dbraw/zinc/29/34/86/205293486.db2.gz WOECXNKMSIPNBM-NRFANRHFSA-N 2 0 399.583 1.874 50 0 GDAARP [NH3+]CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072137254 205309247 /nfs/dbraw/zinc/30/92/47/205309247.db2.gz IISYNYLLYJAUAU-RTWAWAEBSA-N 2 0 380.492 1.808 50 0 GDAARP C[NH+](C)CCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH2+]CC2)C1=O ZINC000299774363 206187975 /nfs/dbraw/zinc/18/79/75/206187975.db2.gz HJBZXTSWIGAOEV-FQEVSTJZSA-N 2 0 376.476 1.610 50 0 GDAARP C[C@@H]1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)[C@@H](C)C[NH2+]1 ZINC000067673447 136164764 /nfs/dbraw/zinc/16/47/64/136164764.db2.gz VUCXKRQJNBSCSI-SJORKVTESA-N 2 0 387.528 1.205 50 0 GDAARP Cc1sc2nc(CC[NH3+])nc(N(C)CC3CC[NH+](CCO)CC3)c2c1C ZINC000065462757 222129680 /nfs/dbraw/zinc/12/96/80/222129680.db2.gz YNZNJAQXVHFBEW-UHFFFAOYSA-N 2 0 377.558 1.950 50 0 GDAARP Cc1cccc(C[NH+]2CCC(c3nnc(CN4CC[NH+](C)CC4)n3C)CC2)n1 ZINC000096151422 570215435 /nfs/dbraw/zinc/21/54/35/570215435.db2.gz VNTDVINDTDTZHY-UHFFFAOYSA-N 2 0 383.544 1.646 50 0 GDAARP O=C(C[C@H]1C[NH2+]CCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000215680552 570290797 /nfs/dbraw/zinc/29/07/97/570290797.db2.gz ALTVQXPCGFSUBM-NRFANRHFSA-N 2 0 386.540 1.174 50 0 GDAARP COc1cc(C[NH2+]C(C)(C)CO)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012592408 570884151 /nfs/dbraw/zinc/88/41/51/570884151.db2.gz GMNXJWQDTRMHRT-INIZCTEOSA-N 2 0 384.542 1.344 50 0 GDAARP Cc1ncc(CO)c(C[N@H+]2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000091998151 571040008 /nfs/dbraw/zinc/04/00/08/571040008.db2.gz CFRCNXREBRVDDD-NRFANRHFSA-N 2 0 390.528 1.354 50 0 GDAARP CN(CC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000095375375 571064150 /nfs/dbraw/zinc/06/41/50/571064150.db2.gz RJBODKMHDMOIDY-SFHVURJKSA-N 2 0 390.576 1.177 50 0 GDAARP CC(C)OCCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000012301525 204390383 /nfs/dbraw/zinc/39/03/83/204390383.db2.gz ZURCDZNFBAJTMT-HXUWFJFHSA-N 2 0 380.529 1.788 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1nonc1C ZINC000012315184 204396023 /nfs/dbraw/zinc/39/60/23/204396023.db2.gz XQJFAJODEOGKNQ-SFHVURJKSA-N 2 0 393.532 1.663 50 0 GDAARP COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC(C[NH3+])CC3)C2=O)c1 ZINC000067967681 205270889 /nfs/dbraw/zinc/27/08/89/205270889.db2.gz UAFRKCJTDQJZSN-FQEVSTJZSA-N 2 0 379.476 1.359 50 0 GDAARP [NH3+]C1(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000071439514 205283913 /nfs/dbraw/zinc/28/39/13/205283913.db2.gz GGNKRMRJJXKTFF-LJQANCHMSA-N 2 0 398.551 1.540 50 0 GDAARP Cc1c[nH+]ccc1NCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000072171643 205315115 /nfs/dbraw/zinc/31/51/15/205315115.db2.gz SAPYQOCKLUUQMA-IBGZPJMESA-N 2 0 387.528 1.689 50 0 GDAARP O=C(CCc1cc2n(n1)CC[NH2+]C2)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000072435049 205350966 /nfs/dbraw/zinc/35/09/66/205350966.db2.gz HOHREWKTSZACIL-HXUWFJFHSA-N 2 0 382.512 1.657 50 0 GDAARP CCCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CC[NH+](C)CC4)n3n2)CC1 ZINC000065311632 136163141 /nfs/dbraw/zinc/16/31/41/136163141.db2.gz GVEIWRZCBFFHCG-UHFFFAOYSA-N 2 0 386.548 1.102 50 0 GDAARP C[C@@H]1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC[N@@H+]1C ZINC000067674311 136164868 /nfs/dbraw/zinc/16/48/68/136164868.db2.gz JAWHQYKZZYYTSY-QGZVFWFLSA-N 2 0 387.528 1.159 50 0 GDAARP CC(=O)NCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012091617 570607795 /nfs/dbraw/zinc/60/77/95/570607795.db2.gz IWPLDTNKYLKQEB-SFHVURJKSA-N 2 0 392.519 1.564 50 0 GDAARP C[N@H+](Cc1ccccc1)C1CCN(C(=O)NCC[NH+]2CCC[C@H](CO)C2)CC1 ZINC000426477137 529998571 /nfs/dbraw/zinc/99/85/71/529998571.db2.gz ALRMOTYALVXULW-FQEVSTJZSA-N 2 0 388.556 1.997 50 0 GDAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCSC)c2)CC1 ZINC000011817450 204354079 /nfs/dbraw/zinc/35/40/79/204354079.db2.gz GHQRMAOMUCOJMN-SFHVURJKSA-N 2 0 396.553 1.764 50 0 GDAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012025236 204367667 /nfs/dbraw/zinc/36/76/67/204367667.db2.gz CXOHYYOEJLSMDI-KRWDZBQOSA-N 2 0 398.569 1.998 50 0 GDAARP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749771 205288673 /nfs/dbraw/zinc/28/86/73/205288673.db2.gz BERLCMOZZYIYQV-NRFANRHFSA-N 2 0 399.583 1.922 50 0 GDAARP CCc1cc(N2CCC([NH2+][C@H]3CCSC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095528540 136181714 /nfs/dbraw/zinc/18/17/14/136181714.db2.gz DEFUUFHNMAMKOY-KRWDZBQOSA-N 2 0 377.558 1.940 50 0 GDAARP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019745107 570213186 /nfs/dbraw/zinc/21/31/86/570213186.db2.gz QWNPSKGUWQBZPY-LJQANCHMSA-N 2 0 377.529 1.715 50 0 GDAARP Cn1cncc1C[NH+]1CCC2(CCN(Cc3cscn3)C[C@H]2CO)CC1 ZINC000097819445 570257649 /nfs/dbraw/zinc/25/76/49/570257649.db2.gz DFMLSAXMKAMWSK-INIZCTEOSA-N 2 0 375.542 1.973 50 0 GDAARP [NH3+]Cc1cn(C[C@@H]2CCC[N@H+](Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1 ZINC000023581252 570365894 /nfs/dbraw/zinc/36/58/94/570365894.db2.gz YKHUXDFNEHPBGV-MRXNPFEDSA-N 2 0 392.507 1.910 50 0 GDAARP CCOC(=O)N1CCC([N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)CC1 ZINC000221293489 570392745 /nfs/dbraw/zinc/39/27/45/570392745.db2.gz GNHIUELLBODEHC-SFHVURJKSA-N 2 0 379.505 1.305 50 0 GDAARP O=C1NCCN1CC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012057721 570603026 /nfs/dbraw/zinc/60/30/26/570603026.db2.gz ILZVJYCGOYSWCX-SFHVURJKSA-N 2 0 376.501 1.027 50 0 GDAARP Cn1nc(C(=O)NCC[NH+]2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000019143579 570959040 /nfs/dbraw/zinc/95/90/40/570959040.db2.gz MSPNZYKILWMDKK-INIZCTEOSA-N 2 0 385.512 1.876 50 0 GDAARP COc1c(C)cc(C)cc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091665090 571024826 /nfs/dbraw/zinc/02/48/26/571024826.db2.gz XXJCYPGURFXYKY-NHCUHLMSSA-N 2 0 375.557 1.990 50 0 GDAARP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000084610243 571026874 /nfs/dbraw/zinc/02/68/74/571026874.db2.gz KJHKPPIMRRBXGB-TZIWHRDSSA-N 2 0 397.567 1.784 50 0 GDAARP CC[N@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000095508152 571079912 /nfs/dbraw/zinc/07/99/12/571079912.db2.gz JQKPCRBZEOCMOU-LJQANCHMSA-N 2 0 378.513 1.876 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCSC)c1 ZINC000012049955 204369295 /nfs/dbraw/zinc/36/92/95/204369295.db2.gz DIBJGOMUOUAEHT-KRWDZBQOSA-N 2 0 384.542 1.344 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+]([C@@H]4CCCOC4)CC3)OC2=O)CC1 ZINC000072424109 205348117 /nfs/dbraw/zinc/34/81/17/205348117.db2.gz KZGYQACMMLYSEA-GOSISDBHSA-N 2 0 380.533 1.090 50 0 GDAARP Cc1cnc(C)c(N2CC[NH+](C3CCN(c4cc(C)[nH+]c(N)n4)CC3)CC2)n1 ZINC000095388736 136178958 /nfs/dbraw/zinc/17/89/58/136178958.db2.gz KLPUVJUDDQWIPA-UHFFFAOYSA-N 2 0 382.516 1.565 50 0 GDAARP C[NH+]1CCN(C[C@@H]2C[N@@H+](C3CCN(c4ccc(F)cc4)CC3)C[C@@H]2CO)CC1 ZINC000095379468 536414320 /nfs/dbraw/zinc/41/43/20/536414320.db2.gz FYKMIKTXYZVXDZ-RTBURBONSA-N 2 0 390.547 1.582 50 0 GDAARP O[C@@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)COCc1ccccc1 ZINC000022040753 570319649 /nfs/dbraw/zinc/31/96/49/570319649.db2.gz IBCNZEKXJOROFO-QHCPKHFHSA-N 2 0 383.536 1.972 50 0 GDAARP NC(=O)C1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000014974349 570867955 /nfs/dbraw/zinc/86/79/55/570867955.db2.gz HBKCFADRIRHAEJ-GOSISDBHSA-N 2 0 393.553 1.172 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCOC(C)C)c1 ZINC000015074900 570878363 /nfs/dbraw/zinc/87/83/63/570878363.db2.gz MMHZRTHNSRJSQT-LJQANCHMSA-N 2 0 396.528 1.406 50 0 GDAARP CN(CC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000095375376 571064132 /nfs/dbraw/zinc/06/41/32/571064132.db2.gz RJBODKMHDMOIDY-GOSISDBHSA-N 2 0 390.576 1.177 50 0 GDAARP C[NH2+]CC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095497872 571074878 /nfs/dbraw/zinc/07/48/78/571074878.db2.gz RSJOPWVBQDEOSO-UHFFFAOYSA-N 2 0 396.919 1.221 50 0 GDAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095506965 571079338 /nfs/dbraw/zinc/07/93/38/571079338.db2.gz XUAWZUIOXICIAL-LJQANCHMSA-N 2 0 396.503 1.826 50 0 GDAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095516844 571084380 /nfs/dbraw/zinc/08/43/80/571084380.db2.gz ACYZMUZJSDLOIV-LJQANCHMSA-N 2 0 394.512 1.114 50 0 GDAARP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)C1 ZINC000426641294 231248496 /nfs/dbraw/zinc/24/84/96/231248496.db2.gz AHJXAVBSNPKEIM-QGZVFWFLSA-N 2 0 381.480 1.478 50 0 GDAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012025241 204367100 /nfs/dbraw/zinc/36/71/00/204367100.db2.gz CXOHYYOEJLSMDI-QGZVFWFLSA-N 2 0 398.569 1.998 50 0 GDAARP CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCN3CC[NH2+]CC3)C2=O)cc1 ZINC000067856559 205264153 /nfs/dbraw/zinc/26/41/53/205264153.db2.gz CKFVIPOJAANTFC-QFIPXVFZSA-N 2 0 388.556 1.158 50 0 GDAARP Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000071753713 205291903 /nfs/dbraw/zinc/29/19/03/205291903.db2.gz RBZXRVXCPGUHAR-INIZCTEOSA-N 2 0 386.544 1.810 50 0 GDAARP [NH3+]CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071760217 205293295 /nfs/dbraw/zinc/29/32/95/205293295.db2.gz BTUCUONFCRETNP-GOSISDBHSA-N 2 0 387.528 1.140 50 0 GDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000072165297 205316139 /nfs/dbraw/zinc/31/61/39/205316139.db2.gz NSRCFGXQCBOAPJ-GOSISDBHSA-N 2 0 383.471 1.644 50 0 GDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC[NH2+]CC2 ZINC000072425145 205348585 /nfs/dbraw/zinc/34/85/85/205348585.db2.gz QSEOYUOADNKBPT-LJQANCHMSA-N 2 0 384.524 1.613 50 0 GDAARP COc1ccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cc1OCC[NH3+] ZINC000426419778 533303131 /nfs/dbraw/zinc/30/31/31/533303131.db2.gz OFLHYUAJZSDFIQ-UHFFFAOYSA-N 2 0 379.526 1.686 50 0 GDAARP [NH3+]C[C@H]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067783837 136164924 /nfs/dbraw/zinc/16/49/24/136164924.db2.gz QJDAXCBUWXFODN-QGZVFWFLSA-N 2 0 387.528 1.194 50 0 GDAARP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)CC2)nc(N)[nH+]1 ZINC000095528462 136181630 /nfs/dbraw/zinc/18/16/30/136181630.db2.gz ZDHVBNUWGQJRGL-INIZCTEOSA-N 2 0 384.484 1.521 50 0 GDAARP C[NH+]1CCC(Oc2ccc(NC(=O)NC[C@H]3COCC[N@H+](C)C3)cc2)CC1 ZINC000096130970 570210654 /nfs/dbraw/zinc/21/06/54/570210654.db2.gz WBYUEZDECVHNHP-MRXNPFEDSA-N 2 0 376.501 1.859 50 0 GDAARP O[C@H](COc1ccccc1C[NH2+]CCN1CCOCC1)C[NH+]1CCCCC1 ZINC000020206303 570248113 /nfs/dbraw/zinc/24/81/13/570248113.db2.gz OJOWZSRCUIWLDN-FQEVSTJZSA-N 2 0 377.529 1.334 50 0 GDAARP Cc1c(C(=O)NCC[NH+]2CCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048229 570698913 /nfs/dbraw/zinc/69/89/13/570698913.db2.gz BBOVXYJZPMLGNC-UHFFFAOYSA-N 2 0 388.541 1.577 50 0 GDAARP C[N@H+](CCNC(=O)CCc1nc(C2=CC[NH+](C)CC2)no1)Cc1ccccc1 ZINC000033069163 570776603 /nfs/dbraw/zinc/77/66/03/570776603.db2.gz LZBGRIJXNTWQLO-UHFFFAOYSA-N 2 0 383.496 1.969 50 0 GDAARP COc1ccc(C[N@H+](C)CC2CCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095516800 571084347 /nfs/dbraw/zinc/08/43/47/571084347.db2.gz HEMZRMJWKPABDE-HXUWFJFHSA-N 2 0 391.556 1.914 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH+]2CCC(F)CC2)c1 ZINC000095517568 571084646 /nfs/dbraw/zinc/08/46/46/571084646.db2.gz LZSMWMLMCVABNZ-LJQANCHMSA-N 2 0 396.503 1.826 50 0 GDAARP COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011839806 204354994 /nfs/dbraw/zinc/35/49/94/204354994.db2.gz GLINAASDEPVORN-GOSISDBHSA-N 2 0 379.501 1.147 50 0 GDAARP Cn1cc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)cn1 ZINC000011998041 204366374 /nfs/dbraw/zinc/36/63/74/204366374.db2.gz CTMQYVRCDSKEEQ-SFHVURJKSA-N 2 0 376.526 1.498 50 0 GDAARP [NH3+]CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751815 205292199 /nfs/dbraw/zinc/29/21/99/205292199.db2.gz JHJCYYGGWVFAHC-INIZCTEOSA-N 2 0 385.512 1.974 50 0 GDAARP [NH3+]C1CN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760761 205292776 /nfs/dbraw/zinc/29/27/76/205292776.db2.gz JHOXOLCIKSNORG-IBGZPJMESA-N 3 0 382.552 1.500 50 0 GDAARP Cc1c[nH+]ccc1NCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000072171642 205314657 /nfs/dbraw/zinc/31/46/57/205314657.db2.gz SAPYQOCKLUUQMA-LJQANCHMSA-N 2 0 387.528 1.689 50 0 GDAARP O=C(C1CC1)N1CCC(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000072172681 205317569 /nfs/dbraw/zinc/31/75/69/205317569.db2.gz AORGKGHYBWWFLE-RTWAWAEBSA-N 2 0 383.536 1.962 50 0 GDAARP O=C(c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000072419867 205347989 /nfs/dbraw/zinc/34/79/89/205347989.db2.gz CALMEYKNNQVEOI-FXAWDEMLSA-N 2 0 382.508 1.562 50 0 GDAARP Cc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000097164713 205587741 /nfs/dbraw/zinc/58/77/41/205587741.db2.gz FBAQAZBZIHBWJU-UHFFFAOYSA-N 3 0 379.549 1.893 50 0 GDAARP CCc1cc(N2CCC([NH2+][C@@H]3CCSC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095528539 136181704 /nfs/dbraw/zinc/18/17/04/136181704.db2.gz DEFUUFHNMAMKOY-QGZVFWFLSA-N 2 0 377.558 1.940 50 0 GDAARP CCc1cc(N2CCC([NH2+]Cc3[nH]cnc3C)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095530123 136182036 /nfs/dbraw/zinc/18/20/36/136182036.db2.gz VMAWKQGYWVNLEE-UHFFFAOYSA-N 2 0 385.516 1.666 50 0 GDAARP CCOC(=O)N1CCC([N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)CC1 ZINC000221293433 570392766 /nfs/dbraw/zinc/39/27/66/570392766.db2.gz GNHIUELLBODEHC-GOSISDBHSA-N 2 0 379.505 1.305 50 0 GDAARP COCC[NH2+]Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3 ZINC000012212608 570626934 /nfs/dbraw/zinc/62/69/34/570626934.db2.gz XDUSTAMTAIPUIZ-UHFFFAOYSA-N 2 0 387.480 1.952 50 0 GDAARP CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000011839087 204355983 /nfs/dbraw/zinc/35/59/83/204355983.db2.gz XOWOIGDZFKPCKD-LJQANCHMSA-N 2 0 378.561 1.698 50 0 GDAARP Cc1cccnc1CC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000012308369 204392695 /nfs/dbraw/zinc/39/26/95/204392695.db2.gz UWVHQMMDWFTVHK-OAQYLSRUSA-N 2 0 399.535 1.919 50 0 GDAARP C[NH+]1CCC(N2C(=O)N[C@](Cc3ccc(F)cc3)(C3CC[NH2+]CC3)C2=O)CC1 ZINC000067542009 205248374 /nfs/dbraw/zinc/24/83/74/205248374.db2.gz CIBWJKJYIGHMJT-OAQYLSRUSA-N 2 0 388.487 1.753 50 0 GDAARP O=C(NCc1ccccn1)C1CC[NH+](C2CCN([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000071754594 205291842 /nfs/dbraw/zinc/29/18/42/205291842.db2.gz LAOMBGFSCTUMLI-NRFANRHFSA-N 2 0 385.556 1.626 50 0 GDAARP C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762699 205294918 /nfs/dbraw/zinc/29/49/18/205294918.db2.gz HLNMZRFUCHNTFN-FQEVSTJZSA-N 2 0 399.583 1.968 50 0 GDAARP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000426504459 534607484 /nfs/dbraw/zinc/60/74/84/534607484.db2.gz HHPGRHYXYPQINQ-IBGZPJMESA-N 2 0 380.492 1.985 50 0 GDAARP COc1cccc(OC)c1C[N@@H+]1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091526851 571012804 /nfs/dbraw/zinc/01/28/04/571012804.db2.gz LNXLFLNVNVCWQB-OAQYLSRUSA-N 2 0 378.513 1.999 50 0 GDAARP C[N@H+](Cc1cccnc1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011937881 204364141 /nfs/dbraw/zinc/36/41/41/204364141.db2.gz MTXIXASYYKKCLW-OAQYLSRUSA-N 2 0 385.508 1.910 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC(C)(C)OC)c1 ZINC000012475750 204415893 /nfs/dbraw/zinc/41/58/93/204415893.db2.gz ZTBWPYPYBOGNBI-GOSISDBHSA-N 2 0 396.528 1.406 50 0 GDAARP Cc1n[nH]c(CC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)n1 ZINC000012313796 204395162 /nfs/dbraw/zinc/39/51/62/204395162.db2.gz BOSFATXOCHTDSH-QGZVFWFLSA-N 2 0 391.541 1.234 50 0 GDAARP O[C@@H](COc1ccccc1C[NH2+]CCSc1nc[nH]n1)C[NH+]1CCCCC1 ZINC000039394208 205043024 /nfs/dbraw/zinc/04/30/24/205043024.db2.gz VRIMMRCKTVBKRN-QGZVFWFLSA-N 2 0 391.541 1.912 50 0 GDAARP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063857432 205187385 /nfs/dbraw/zinc/18/73/85/205187385.db2.gz AQIQQJAVCWGTMB-WIYYLYMNSA-N 2 0 378.561 1.172 50 0 GDAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCOCC1 ZINC000071738633 205288030 /nfs/dbraw/zinc/28/80/30/205288030.db2.gz GPMVGMDTQWVGBK-IBGZPJMESA-N 2 0 389.544 1.308 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072480181 205355728 /nfs/dbraw/zinc/35/57/28/205355728.db2.gz UVFIXYWDSBGQSD-GOSISDBHSA-N 2 0 380.533 1.090 50 0 GDAARP C[C@H]1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC[N@@H+]1C ZINC000067674312 136164749 /nfs/dbraw/zinc/16/47/49/136164749.db2.gz JAWHQYKZZYYTSY-KRWDZBQOSA-N 2 0 387.528 1.159 50 0 GDAARP Cc1cc(N2CCC([NH2+]CC(=O)N3CCCC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095519423 136180931 /nfs/dbraw/zinc/18/09/31/136180931.db2.gz UTCLQCHDXBFBDU-UHFFFAOYSA-N 2 0 386.544 1.956 50 0 GDAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1 ZINC000023581254 570365913 /nfs/dbraw/zinc/36/59/13/570365913.db2.gz YKHUXDFNEHPBGV-INIZCTEOSA-N 2 0 392.507 1.910 50 0 GDAARP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012582740 570684459 /nfs/dbraw/zinc/68/44/59/570684459.db2.gz NRHRTQXQDGYVOV-HXUWFJFHSA-N 2 0 390.572 1.842 50 0 GDAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014538098 570848631 /nfs/dbraw/zinc/84/86/31/570848631.db2.gz VKVUTSCVGUAOKE-UHFFFAOYSA-N 2 0 388.512 1.876 50 0 GDAARP COc1cccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1OC ZINC000091906747 571035746 /nfs/dbraw/zinc/03/57/46/571035746.db2.gz VJRRUTPRIGJGRL-OAQYLSRUSA-N 2 0 378.513 1.999 50 0 GDAARP COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095516626 571084278 /nfs/dbraw/zinc/08/42/78/571084278.db2.gz AKTOPHSXLPZGDL-SFHVURJKSA-N 2 0 391.512 1.228 50 0 GDAARP C[N@@H+]1CC[C@H](CNc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067743132 205257963 /nfs/dbraw/zinc/25/79/63/205257963.db2.gz KLCJSKRDCXVFSP-QGZVFWFLSA-N 2 0 387.528 1.382 50 0 GDAARP CC[C@@H](C[NH+](C)C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067856059 205263782 /nfs/dbraw/zinc/26/37/82/205263782.db2.gz LCMJSEYHHPKZCI-SFHVURJKSA-N 2 0 389.544 1.771 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CCN([C@H]4CCC[NH2+]C4)CC3)OC2=O)CC1 ZINC000072426814 205349912 /nfs/dbraw/zinc/34/99/12/205349912.db2.gz ZGSZYCFYWDNSLX-IBGZPJMESA-N 2 0 393.576 1.053 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+]([C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072410063 205347545 /nfs/dbraw/zinc/34/75/45/205347545.db2.gz UTIOFBLPELIBID-SFHVURJKSA-N 2 0 380.533 1.088 50 0 GDAARP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](CO)N(C)C3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095520468 136181104 /nfs/dbraw/zinc/18/11/04/136181104.db2.gz PIJKNFLBAFIXHL-MOPGFXCFSA-N 2 0 388.560 1.399 50 0 GDAARP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019741649 570212908 /nfs/dbraw/zinc/21/29/08/570212908.db2.gz XMZYFCNQJAIIOX-IBGZPJMESA-N 2 0 379.545 1.914 50 0 GDAARP Cn1ccnc1SCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096165512 570217562 /nfs/dbraw/zinc/21/75/62/570217562.db2.gz HXKWUOAAVZFINN-YLJYHZDGSA-N 2 0 385.537 1.350 50 0 GDAARP CC[NH+]1CCN(Cc2cc(C)cc(C[N@@H+]3CC[C@](C)(O)[C@@H](O)C3)c2C)CC1 ZINC000096166284 570218246 /nfs/dbraw/zinc/21/82/46/570218246.db2.gz UATTUWUIFHPSEJ-VXKWHMMOSA-N 2 0 375.557 1.759 50 0 GDAARP C[NH+](C)CCOC(=O)/C=C(/Oc1ccc(Cl)cc1)C(=O)OCC[NH+](C)C ZINC000096557038 570759291 /nfs/dbraw/zinc/75/92/91/570759291.db2.gz LOZLYWCASVCDPD-DTQAZKPQSA-N 2 0 384.860 1.812 50 0 GDAARP CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1 ZINC000100824363 570775835 /nfs/dbraw/zinc/77/58/35/570775835.db2.gz QTRMYKXDVSJZQH-LJQANCHMSA-N 2 0 388.512 1.334 50 0 GDAARP C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095511354 571082097 /nfs/dbraw/zinc/08/20/97/571082097.db2.gz YIVXHWMJASAXCG-CYBMUJFWSA-N 2 0 396.919 1.348 50 0 GDAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095528424 571091997 /nfs/dbraw/zinc/09/19/97/571091997.db2.gz YSUOPLTYOGYSCF-LJQANCHMSA-N 2 0 378.513 1.878 50 0 GDAARP O[C@@H](COc1cccc(C[NH+]2CCC3(CCO3)CC2)c1)C[NH+]1CCC(O)CC1 ZINC000095528864 571092013 /nfs/dbraw/zinc/09/20/13/571092013.db2.gz ZTLVSHUFDQNQNA-HXUWFJFHSA-N 2 0 390.524 1.638 50 0 GDAARP COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CC3CC[NH2+]CC3)C2=O)c1 ZINC000067894718 205266976 /nfs/dbraw/zinc/26/69/76/205266976.db2.gz NSFHBXCQYJQIQX-HXUWFJFHSA-N 2 0 379.476 1.277 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](C[C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072422007 205349599 /nfs/dbraw/zinc/34/95/99/205349599.db2.gz DPRJUHKNBCQJKZ-IBGZPJMESA-N 2 0 394.560 1.336 50 0 GDAARP COc1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1OCC[NH3+] ZINC000426548715 533291261 /nfs/dbraw/zinc/29/12/61/533291261.db2.gz BFHXOKYWWWCCOY-UHFFFAOYSA-N 2 0 379.526 1.686 50 0 GDAARP CS(=O)(=O)c1cnc(N2CCC([NH+]3CCCC3)CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072429824 136170100 /nfs/dbraw/zinc/17/01/00/136170100.db2.gz RGLANQOSMFQHTQ-OAHLLOKOSA-N 2 0 393.557 1.412 50 0 GDAARP Cc1cc(N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095382836 136178774 /nfs/dbraw/zinc/17/87/74/136178774.db2.gz FFNQOBFXAIKBDP-INIZCTEOSA-N 2 0 380.496 1.463 50 0 GDAARP CN(C)[C@H](C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000091664960 571024781 /nfs/dbraw/zinc/02/47/81/571024781.db2.gz DQCMZCDXNHUZPM-FQEVSTJZSA-N 2 0 376.520 1.914 50 0 GDAARP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2CCCO)CC1 ZINC000095376792 571064723 /nfs/dbraw/zinc/06/47/23/571064723.db2.gz KOGCQQDHEOOLKX-UXHICEINSA-N 2 0 399.543 1.077 50 0 GDAARP CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000011839086 204356176 /nfs/dbraw/zinc/35/61/76/204356176.db2.gz XOWOIGDZFKPCKD-IBGZPJMESA-N 2 0 378.561 1.698 50 0 GDAARP Cc1ccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045966909 205100504 /nfs/dbraw/zinc/10/05/04/205100504.db2.gz DIILEFFSAYBZRC-UHFFFAOYSA-N 2 0 386.540 1.745 50 0 GDAARP Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)cc1=O ZINC000067434641 205246753 /nfs/dbraw/zinc/24/67/53/205246753.db2.gz AQJNVRPHMAUGCW-IBGZPJMESA-N 2 0 389.544 1.278 50 0 GDAARP CS(=O)(=O)c1cnc(N2CCC([NH+]3CCCC3)CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072429825 136170053 /nfs/dbraw/zinc/17/00/53/136170053.db2.gz RGLANQOSMFQHTQ-HNNXBMFYSA-N 2 0 393.557 1.412 50 0 GDAARP CC[NH+]1CCN(c2cc(C)nc3nc(CN4CC[NH+](C(C)C)CC4)nn32)CC1 ZINC000065311652 535742878 /nfs/dbraw/zinc/74/28/78/535742878.db2.gz KKFBGRNNNYYTPJ-UHFFFAOYSA-N 2 0 386.548 1.101 50 0 GDAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1CCOCC1)CC2 ZINC000014754700 570859454 /nfs/dbraw/zinc/85/94/54/570859454.db2.gz QMIDASLTGIFVKE-UHFFFAOYSA-N 2 0 394.560 1.872 50 0 GDAARP [NH3+]CCSc1nn2c(nc3c(c2=O)C[N@H+](CCc2ccccc2)CC3)s1 ZINC000015414176 570893570 /nfs/dbraw/zinc/89/35/70/570893570.db2.gz KAFRBMOQFBEJOQ-UHFFFAOYSA-N 2 0 387.534 1.803 50 0 GDAARP C[N@H+](CCC(N)=O)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095531112 571093314 /nfs/dbraw/zinc/09/33/14/571093314.db2.gz ZGYOFQHCZACFMM-OAQYLSRUSA-N 2 0 397.519 1.792 50 0 GDAARP NC(=O)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071756929 205293599 /nfs/dbraw/zinc/29/35/99/205293599.db2.gz PATMMYLUHJHWSP-IBGZPJMESA-N 2 0 398.551 1.322 50 0 GDAARP CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071767862 205295199 /nfs/dbraw/zinc/29/51/99/205295199.db2.gz RFJPXNCRIVHCCX-KRWDZBQOSA-N 2 0 387.528 1.138 50 0 GDAARP CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167547 205314617 /nfs/dbraw/zinc/31/46/17/205314617.db2.gz GLXBEMBMZLNANJ-INIZCTEOSA-N 2 0 375.904 1.949 50 0 GDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2nnc(-c3ccccc3)n2CC1 ZINC000072166001 205316334 /nfs/dbraw/zinc/31/63/34/205316334.db2.gz JYASYJYTIBRKSK-QGZVFWFLSA-N 2 0 380.496 1.062 50 0 GDAARP O[C@H](COc1ccccc1C[NH2+]CCN1CCCC1)C[NH+]1CCSCC1 ZINC000023359833 570356886 /nfs/dbraw/zinc/35/68/86/570356886.db2.gz FHUXTPLFSLRESY-IBGZPJMESA-N 2 0 379.570 1.661 50 0 GDAARP COc1cccc2ccc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)nc21 ZINC000092097694 571044823 /nfs/dbraw/zinc/04/48/23/571044823.db2.gz ZNIROQFRSAFTRB-RTBURBONSA-N 2 0 384.524 1.531 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC(F)CC3)c2)CC1 ZINC000095522417 571088159 /nfs/dbraw/zinc/08/81/59/571088159.db2.gz DZANOCVLAGCARU-HXUWFJFHSA-N 2 0 379.520 1.998 50 0 GDAARP COc1ccc(C[NH2+]CC(N)=O)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055182997 205144490 /nfs/dbraw/zinc/14/44/90/205144490.db2.gz OVZDPCYENAGOCU-SFHVURJKSA-N 2 0 387.480 1.142 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+]([C@H]4CCSC4)CC3)OC2=O)CC1 ZINC000072432729 205350731 /nfs/dbraw/zinc/35/07/31/205350731.db2.gz RXYAAELYHTYMQD-KRWDZBQOSA-N 2 0 382.574 1.416 50 0 GDAARP O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000012431183 570659551 /nfs/dbraw/zinc/65/95/51/570659551.db2.gz KVDRHLOHXIVFIZ-HXUWFJFHSA-N 2 0 390.572 1.844 50 0 GDAARP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000095506164 571078981 /nfs/dbraw/zinc/07/89/81/571078981.db2.gz GCIAOFIAOPSEJD-IBGZPJMESA-N 2 0 379.545 1.913 50 0 GDAARP OCC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095510982 571082124 /nfs/dbraw/zinc/08/21/24/571082124.db2.gz DHCLTWXKGOEJKV-OAQYLSRUSA-N 2 0 391.556 1.412 50 0 GDAARP Cn1cc(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)cn1 ZINC000020451672 207193790 /nfs/dbraw/zinc/19/37/90/207193790.db2.gz FCOSMXADVILCBL-IBGZPJMESA-N 2 0 390.553 1.541 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cnc(N4CCCC4)s3)C[C@@H]2CO)CC1 ZINC000091616593 208127064 /nfs/dbraw/zinc/12/70/64/208127064.db2.gz VRVDOTWAEUODPK-QZTJIDSGSA-N 2 0 393.601 1.421 50 0 GDAARP COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000095526116 208226480 /nfs/dbraw/zinc/22/64/80/208226480.db2.gz OATCJAKDMNVJSM-HXUWFJFHSA-N 2 0 375.513 1.397 50 0 GDAARP CNc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)cc(C)[nH+]1 ZINC000071755416 136166227 /nfs/dbraw/zinc/16/62/27/136166227.db2.gz YPTRMQLVYWKGDE-INIZCTEOSA-N 2 0 390.532 1.270 50 0 GDAARP CCc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095529910 136182002 /nfs/dbraw/zinc/18/20/02/136182002.db2.gz YNFPCSRUHUQWSZ-YJBOKZPZSA-N 2 0 376.524 1.898 50 0 GDAARP C[NH+]1CCC(N2C(=O)N[C@@](Cc3ccc(F)cc3)(C3CC[NH2+]CC3)C2=O)CC1 ZINC000067542010 570781563 /nfs/dbraw/zinc/78/15/63/570781563.db2.gz CIBWJKJYIGHMJT-NRFANRHFSA-N 2 0 388.487 1.753 50 0 GDAARP CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071552265 570840273 /nfs/dbraw/zinc/84/02/73/570840273.db2.gz KUSLWECFDCDGTC-FQEVSTJZSA-N 2 0 385.552 1.781 50 0 GDAARP C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762698 570850190 /nfs/dbraw/zinc/85/01/90/570850190.db2.gz HLNMZRFUCHNTFN-HXUWFJFHSA-N 2 0 399.583 1.968 50 0 GDAARP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000084610246 571026886 /nfs/dbraw/zinc/02/68/86/571026886.db2.gz KJHKPPIMRRBXGB-FPOVZHCZSA-N 2 0 397.567 1.784 50 0 GDAARP CC[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(OC)c1)C1CC1 ZINC000095523384 571088769 /nfs/dbraw/zinc/08/87/69/571088769.db2.gz RUCOPOVWGCGLSR-IBGZPJMESA-N 2 0 378.513 1.876 50 0 GDAARP COCC[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000426500046 231230517 /nfs/dbraw/zinc/23/05/17/231230517.db2.gz DUOZVGAEBUIBIS-GOSISDBHSA-N 2 0 375.517 1.580 50 0 GDAARP COCC[N@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000020910059 207220062 /nfs/dbraw/zinc/22/00/62/207220062.db2.gz CEXHGKOAPDEXLL-FQEVSTJZSA-N 2 0 379.545 1.531 50 0 GDAARP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccncc2)C1 ZINC000023354251 207275292 /nfs/dbraw/zinc/27/52/92/207275292.db2.gz XLBNNVFWXDSVMB-NHCUHLMSSA-N 2 0 387.572 1.683 50 0 GDAARP CC[N@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000095508153 208211682 /nfs/dbraw/zinc/21/16/82/208211682.db2.gz JQKPCRBZEOCMOU-IBGZPJMESA-N 2 0 378.513 1.876 50 0 GDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC(F)CC3)c2)CC1 ZINC000095522416 208219031 /nfs/dbraw/zinc/21/90/31/208219031.db2.gz DZANOCVLAGCARU-FQEVSTJZSA-N 2 0 379.520 1.998 50 0 GDAARP CCn1c(CN2CC[NH+](C3Cc4ccccc4C3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244873542 209024200 /nfs/dbraw/zinc/02/42/00/209024200.db2.gz WRXJBJZCPVQQNE-WGSAOQKQSA-N 2 0 380.540 1.788 50 0 GDAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC000091952229 136177446 /nfs/dbraw/zinc/17/74/46/136177446.db2.gz UGGJGXPFAUCTEP-UXHICEINSA-N 2 0 375.513 1.214 50 0 GDAARP O=c1cc(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2o1 ZINC000575413738 570302494 /nfs/dbraw/zinc/30/24/94/570302494.db2.gz HDFXZSUSIQFOSA-KRWDZBQOSA-N 2 0 381.432 1.750 50 0 GDAARP O=C1NCCCC[C@@H]1[NH2+]Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000055168059 570685620 /nfs/dbraw/zinc/68/56/20/570685620.db2.gz NQRUJLKEVMVWIG-IBGZPJMESA-N 2 0 375.513 1.936 50 0 GDAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072146224 570871568 /nfs/dbraw/zinc/87/15/68/570871568.db2.gz WAPMMXPFUWYKFT-QFIPXVFZSA-N 2 0 393.531 1.885 50 0 GDAARP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000072163828 570875511 /nfs/dbraw/zinc/87/55/11/570875511.db2.gz JKSPOKJMCJWOSS-HXUWFJFHSA-N 2 0 399.583 1.968 50 0 GDAARP CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167548 570876813 /nfs/dbraw/zinc/87/68/13/570876813.db2.gz GLXBEMBMZLNANJ-MRXNPFEDSA-N 2 0 375.904 1.949 50 0 GDAARP Cc1nn(C(C)C)c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091643579 208130212 /nfs/dbraw/zinc/13/02/12/208130212.db2.gz DISKYTNBYLNPEL-WOJBJXKFSA-N 2 0 377.577 1.759 50 0 GDAARP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000095499025 208198507 /nfs/dbraw/zinc/19/85/07/208198507.db2.gz MWEYEDJSAOMHFW-FQEVSTJZSA-N 2 0 387.503 1.832 50 0 GDAARP COCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000241081860 209020242 /nfs/dbraw/zinc/02/02/42/209020242.db2.gz YRIDMZRRGNEJOQ-WGSAOQKQSA-N 2 0 384.528 1.447 50 0 GDAARP O[C@@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[NH+]1CCC(O)CC1 ZINC000011999845 570597792 /nfs/dbraw/zinc/59/77/92/570597792.db2.gz ICFLEZZIPCTMNC-HXUWFJFHSA-N 2 0 388.512 1.259 50 0 GDAARP Cn1ncc(N2CCO[C@H](CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)cc1=O ZINC000067434636 570779996 /nfs/dbraw/zinc/77/99/96/570779996.db2.gz AQJNVRPHMAUGCW-LJQANCHMSA-N 2 0 389.544 1.278 50 0 GDAARP C[N@@H+]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067790182 570791075 /nfs/dbraw/zinc/79/10/75/570791075.db2.gz DIEHSFDZIRNOFD-UHFFFAOYSA-N 2 0 387.528 1.160 50 0 GDAARP CNC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071405706 570832755 /nfs/dbraw/zinc/83/27/55/570832755.db2.gz VXXRPNQHWVYFNI-IBGZPJMESA-N 2 0 398.551 1.192 50 0 GDAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072146223 570871626 /nfs/dbraw/zinc/87/16/26/570871626.db2.gz WAPMMXPFUWYKFT-JOCHJYFZSA-N 2 0 393.531 1.885 50 0 GDAARP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000020206440 207182178 /nfs/dbraw/zinc/18/21/78/207182178.db2.gz ZQAWBVUYWLTGRV-LJQANCHMSA-N 2 0 386.540 1.567 50 0 GDAARP O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072147308 207978768 /nfs/dbraw/zinc/97/87/68/207978768.db2.gz CBRRENZIBBIODA-IBGZPJMESA-N 2 0 384.524 1.661 50 0 GDAARP Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000095522004 208219822 /nfs/dbraw/zinc/21/98/22/208219822.db2.gz QIHJUAIATSDMEV-IBGZPJMESA-N 2 0 379.512 1.941 50 0 GDAARP [NH3+]CC1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067884606 570796424 /nfs/dbraw/zinc/79/64/24/570796424.db2.gz BMZBKLADDVBERV-UHFFFAOYSA-N 2 0 387.528 1.194 50 0 GDAARP [NH3+]CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071747888 570845892 /nfs/dbraw/zinc/84/58/92/570845892.db2.gz YCXYKWQYZUFAEF-LJQANCHMSA-N 2 0 386.540 1.397 50 0 GDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072134460 570869530 /nfs/dbraw/zinc/86/95/30/570869530.db2.gz KSVJVCLXVNYAJU-OAQYLSRUSA-N 3 0 384.568 1.885 50 0 GDAARP COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015070526 207044860 /nfs/dbraw/zinc/04/48/60/207044860.db2.gz IAMOWELTDAUFBH-IBGZPJMESA-N 2 0 388.512 1.597 50 0 GDAARP COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015070529 207045399 /nfs/dbraw/zinc/04/53/99/207045399.db2.gz IAMOWELTDAUFBH-LJQANCHMSA-N 2 0 388.512 1.597 50 0 GDAARP O[C@@H](C[NH2+]C1CCCCC1)CN1CCN(C[C@@H](O)C[NH2+]C2CCCCC2)CC1 ZINC000020436792 207191747 /nfs/dbraw/zinc/19/17/47/207191747.db2.gz PLNXOLIDWMZROI-VXKWHMMOSA-N 2 0 396.620 1.170 50 0 GDAARP Cc1cc(C)nc(N2CC[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)n1 ZINC000023478524 207278123 /nfs/dbraw/zinc/27/81/23/207278123.db2.gz QCRODCXWLXXWDU-RTWAWAEBSA-N 2 0 393.535 1.952 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+]([C@@H]4CCCOC4)CC3)OC2=O)CC1 ZINC000072407312 208016603 /nfs/dbraw/zinc/01/66/03/208016603.db2.gz SIZYTKDMYZANQJ-LJQANCHMSA-N 2 0 394.560 1.478 50 0 GDAARP COc1cc2c(cc1CNC(=O)[C@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)OCCO2 ZINC000072422834 208021817 /nfs/dbraw/zinc/02/18/17/208021817.db2.gz RYMCFKYRPZDKGG-OAHLLOKOSA-N 2 0 375.469 1.157 50 0 GDAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C4CC[NH2+]CC4)CC3)OC2=O)C1 ZINC000072440424 208026575 /nfs/dbraw/zinc/02/65/75/208026575.db2.gz HMCKYSMBEHAURD-IBGZPJMESA-N 3 0 393.576 1.051 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2)CC1 ZINC000101701451 208396576 /nfs/dbraw/zinc/39/65/76/208396576.db2.gz AWOXHWUYHSEPFE-SFHVURJKSA-N 2 0 382.508 1.501 50 0 GDAARP CO[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000095529654 136181613 /nfs/dbraw/zinc/18/16/13/136181613.db2.gz IQSKXMAPMVXWIR-OALUTQOASA-N 2 0 388.560 1.663 50 0 GDAARP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[NH+](C4CCSCC4)CC3)nn2)CC1 ZINC000252666578 570444345 /nfs/dbraw/zinc/44/43/45/570444345.db2.gz BZASCDRZZUTSRK-FZNQNYSPSA-N 2 0 378.546 1.374 50 0 GDAARP O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000012744308 570707625 /nfs/dbraw/zinc/70/76/25/570707625.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 2 0 390.572 1.987 50 0 GDAARP [NH3+]CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071747889 570845842 /nfs/dbraw/zinc/84/58/42/570845842.db2.gz YCXYKWQYZUFAEF-IBGZPJMESA-N 2 0 386.540 1.397 50 0 GDAARP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071767858 570852017 /nfs/dbraw/zinc/85/20/17/570852017.db2.gz DFCZKTWSACGNEX-FQEVSTJZSA-N 2 0 385.556 1.580 50 0 GDAARP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071767859 570852044 /nfs/dbraw/zinc/85/20/44/570852044.db2.gz DFCZKTWSACGNEX-HXUWFJFHSA-N 2 0 385.556 1.580 50 0 GDAARP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426388403 231212475 /nfs/dbraw/zinc/21/24/75/231212475.db2.gz LUONYILOBYSZTC-INIZCTEOSA-N 2 0 377.558 1.390 50 0 GDAARP COc1cccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000015864156 207064380 /nfs/dbraw/zinc/06/43/80/207064380.db2.gz NHZZCXHVIBNIJP-UHFFFAOYSA-N 2 0 388.512 1.055 50 0 GDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCOC(C)C)c2)CC1 ZINC000019226986 207108676 /nfs/dbraw/zinc/10/86/76/207108676.db2.gz RJEWYEFUFNNPMS-FQEVSTJZSA-N 2 0 379.545 1.578 50 0 GDAARP O[C@H]1[C@H]([NH+]2CCN(Cc3ccncc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000020540126 207203425 /nfs/dbraw/zinc/20/34/25/207203425.db2.gz PUGVQPRMESZTQC-YADHBBJMSA-N 2 0 378.520 1.936 50 0 GDAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022926041 207266112 /nfs/dbraw/zinc/26/61/12/207266112.db2.gz MQNKUHVHEAGLNN-SFHVURJKSA-N 2 0 397.585 1.525 50 0 GDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000072165296 207984929 /nfs/dbraw/zinc/98/49/29/207984929.db2.gz NSRCFGXQCBOAPJ-SFHVURJKSA-N 2 0 383.471 1.644 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+]([C@H]4CCSC4)CC3)OC2=O)CC1 ZINC000072436534 208023793 /nfs/dbraw/zinc/02/37/93/208023793.db2.gz ZEWQNBNNTQXZDA-SFHVURJKSA-N 2 0 396.601 1.806 50 0 GDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCNC(=O)c1ccccc1Cl)CC[NH2+]CC2 ZINC000072462623 208026614 /nfs/dbraw/zinc/02/66/14/208026614.db2.gz LWYMPDQBBLHXOR-INIZCTEOSA-N 2 0 378.904 1.260 50 0 GDAARP C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091644849 208128230 /nfs/dbraw/zinc/12/82/30/208128230.db2.gz LGCQUNDRLPPDBJ-MOPGFXCFSA-N 2 0 375.513 1.483 50 0 GDAARP COc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1OC ZINC000091713045 208134229 /nfs/dbraw/zinc/13/42/29/208134229.db2.gz FZMXMNZQPXXWDZ-RTBURBONSA-N 2 0 377.529 1.382 50 0 GDAARP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091326997 208114133 /nfs/dbraw/zinc/11/41/33/208114133.db2.gz DNCSEAZLONWGEU-IBGZPJMESA-N 2 0 385.516 1.331 50 0 GDAARP Cc1ncc(CO)c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000091998152 208147382 /nfs/dbraw/zinc/14/73/82/208147382.db2.gz CFRCNXREBRVDDD-OAQYLSRUSA-N 2 0 390.528 1.354 50 0 GDAARP COc1ccc(C[N@H+](C)CC2CCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095516799 208215998 /nfs/dbraw/zinc/21/59/98/208215998.db2.gz HEMZRMJWKPABDE-FQEVSTJZSA-N 2 0 391.556 1.914 50 0 GDAARP Cc1ccc2cc(CN3CCC([NH3+])CC3)c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000097711685 136188551 /nfs/dbraw/zinc/18/85/51/136188551.db2.gz NSYPMMBJUOBPGN-UHFFFAOYSA-N 2 0 383.540 1.581 50 0 GDAARP CC(C)OCCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000012301524 570636676 /nfs/dbraw/zinc/63/66/76/570636676.db2.gz ZURCDZNFBAJTMT-FQEVSTJZSA-N 2 0 380.529 1.788 50 0 GDAARP Cc1n[nH]c(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)n1 ZINC000012313795 570640263 /nfs/dbraw/zinc/64/02/63/570640263.db2.gz BOSFATXOCHTDSH-KRWDZBQOSA-N 2 0 391.541 1.234 50 0 GDAARP O=C(NCc1ccccn1)C1CC[NH+](C2CCN([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000071754593 570847989 /nfs/dbraw/zinc/84/79/89/570847989.db2.gz LAOMBGFSCTUMLI-OAQYLSRUSA-N 2 0 385.556 1.626 50 0 GDAARP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763241 570850442 /nfs/dbraw/zinc/85/04/42/570850442.db2.gz SKAGYQCWLTZDMN-FQEVSTJZSA-N 2 0 387.572 1.778 50 0 GDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000072159213 570874923 /nfs/dbraw/zinc/87/49/23/570874923.db2.gz DIYKABXQCDZIMB-INIZCTEOSA-N 2 0 377.920 1.111 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC(C)(C)OC)c1 ZINC000012475745 206903787 /nfs/dbraw/zinc/90/37/87/206903787.db2.gz ZTBWPYPYBOGNBI-SFHVURJKSA-N 2 0 396.528 1.406 50 0 GDAARP COc1ccc(C[NH+]2CCC(C)CC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020233905 207184422 /nfs/dbraw/zinc/18/44/22/207184422.db2.gz OIVVZLATIZNPNE-HXUWFJFHSA-N 2 0 391.556 1.914 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CC(C)(C)OC)c2)CC1 ZINC000023358419 207275115 /nfs/dbraw/zinc/27/51/15/207275115.db2.gz XNUGHTUQDQOGIQ-LJQANCHMSA-N 2 0 379.545 1.578 50 0 GDAARP COc1cc(C(=O)N2CC([NH+]3CCCCC3)C2)cc(OC)c1OCCC[NH3+] ZINC000426667690 533515000 /nfs/dbraw/zinc/51/50/00/533515000.db2.gz WWDVWRBMDAKTGD-UHFFFAOYSA-N 2 0 377.485 1.742 50 0 GDAARP OC[C@@H]1C[N@@H+](C2CCOCC2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097553323 570246530 /nfs/dbraw/zinc/24/65/30/570246530.db2.gz SNWFUDQCAMQUEB-IBGZPJMESA-N 2 0 376.545 1.849 50 0 GDAARP COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011838675 570586760 /nfs/dbraw/zinc/58/67/60/570586760.db2.gz NRAHQGVILNQZPX-QGZVFWFLSA-N 2 0 398.569 1.592 50 0 GDAARP CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966782 570649900 /nfs/dbraw/zinc/64/99/00/570649900.db2.gz BBDMAGORBOWSMD-LJQANCHMSA-N 2 0 390.503 1.574 50 0 GDAARP C[NH+]1CCC(O)(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067489642 570780328 /nfs/dbraw/zinc/78/03/28/570780328.db2.gz IZCREEYUTYABJC-QFIPXVFZSA-N 2 0 389.540 1.019 50 0 GDAARP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[NH+]4CCCCCC4)cc3)nn2)C[NH2+]1 ZINC000067840841 570793451 /nfs/dbraw/zinc/79/34/51/570793451.db2.gz PIJXCMIPMSIVOP-OALUTQOASA-N 2 0 382.512 1.970 50 0 GDAARP CC[C@H](C[NH+](C)C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067856060 570794517 /nfs/dbraw/zinc/79/45/17/570794517.db2.gz LCMJSEYHHPKZCI-GOSISDBHSA-N 2 0 389.544 1.771 50 0 GDAARP CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071552263 570840193 /nfs/dbraw/zinc/84/01/93/570840193.db2.gz KUSLWECFDCDGTC-HXUWFJFHSA-N 2 0 385.552 1.781 50 0 GDAARP Cn1nc(C(=O)NCC[NH+]2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000019143582 207103721 /nfs/dbraw/zinc/10/37/21/207103721.db2.gz MSPNZYKILWMDKK-MRXNPFEDSA-N 2 0 385.512 1.876 50 0 GDAARP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019745104 207158225 /nfs/dbraw/zinc/15/82/25/207158225.db2.gz QWNPSKGUWQBZPY-IBGZPJMESA-N 2 0 377.529 1.715 50 0 GDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC[NH2+]CC2 ZINC000072425146 208022254 /nfs/dbraw/zinc/02/22/54/208022254.db2.gz QSEOYUOADNKBPT-IBGZPJMESA-N 2 0 384.524 1.613 50 0 GDAARP CCOc1cc(CN2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000092046447 208146106 /nfs/dbraw/zinc/14/61/06/208146106.db2.gz ZLIMKWIPXSESFX-RXVVDRJESA-N 2 0 377.529 1.572 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CC2)c1 ZINC000095498126 208199214 /nfs/dbraw/zinc/19/92/14/208199214.db2.gz OSSXXONODXSKPJ-LJQANCHMSA-N 2 0 378.513 1.733 50 0 GDAARP C[NH2+]CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095513358 208215252 /nfs/dbraw/zinc/21/52/52/208215252.db2.gz ZDTKFQVLKXDOAY-FQEVSTJZSA-N 2 0 386.540 1.615 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC(C)C)c1 ZINC000095518507 208217155 /nfs/dbraw/zinc/21/71/55/208217155.db2.gz UVQIUFMTSKWVDT-IBGZPJMESA-N 2 0 380.529 1.979 50 0 GDAARP CC[NH+](CC)C[C@H](O)Cn1c2ccccc2n(C[C@@H](O)C[NH+](CC)CC)c1=O ZINC000019899236 570232656 /nfs/dbraw/zinc/23/26/56/570232656.db2.gz WVAUVRHVHSODTC-ROUUACIJSA-N 2 0 392.544 1.208 50 0 GDAARP Cc1cccc(C[NH2+]CCNC(=O)C(=O)NCC[NH2+]Cc2cccc(C)c2)c1 ZINC000221642009 570397751 /nfs/dbraw/zinc/39/77/51/570397751.db2.gz YWIGSCZPWXUSMP-UHFFFAOYSA-N 2 0 382.508 1.415 50 0 GDAARP COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012317745 570642366 /nfs/dbraw/zinc/64/23/66/570642366.db2.gz RQHMYKFGSTTYEA-LJQANCHMSA-N 2 0 388.512 1.907 50 0 GDAARP CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071745557 570845011 /nfs/dbraw/zinc/84/50/11/570845011.db2.gz ZOSIXEOVPBUOPO-MRXNPFEDSA-N 2 0 387.528 1.138 50 0 GDAARP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071750396 570846777 /nfs/dbraw/zinc/84/67/77/570846777.db2.gz NTCSUCMGXAUHDD-LJQANCHMSA-N 2 0 385.556 1.708 50 0 GDAARP O[C@@H](COc1ccccc1C[NH2+]CCN1CCOCC1)C[NH+]1CCCCC1 ZINC000020206299 207181958 /nfs/dbraw/zinc/18/19/58/207181958.db2.gz OJOWZSRCUIWLDN-HXUWFJFHSA-N 2 0 377.529 1.334 50 0 GDAARP CC(C)(CNC(=O)CCc1cc2n(n1)CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000072408269 208016266 /nfs/dbraw/zinc/01/62/66/208016266.db2.gz YXGMWHQXLDNQAV-UHFFFAOYSA-N 2 0 381.524 1.872 50 0 GDAARP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c3cc4c(cc32)OCO4)C[C@@H]1CO ZINC000091350565 208117773 /nfs/dbraw/zinc/11/77/73/208117773.db2.gz OLENMDQOJGDGHE-HZPDHXFCSA-N 2 0 387.480 1.895 50 0 GDAARP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(OC)c1C ZINC000095366898 208162863 /nfs/dbraw/zinc/16/28/63/208162863.db2.gz DSJPFDYBYOXOAE-RTBURBONSA-N 2 0 377.529 1.300 50 0 GDAARP C[N@H+](CCC(N)=O)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095531113 208231279 /nfs/dbraw/zinc/23/12/79/208231279.db2.gz ZGYOFQHCZACFMM-NRFANRHFSA-N 2 0 397.519 1.792 50 0 GDAARP Cc1cc(N2CCC([NH2+][C@@H](Cc3ccccc3)C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000095519538 136180990 /nfs/dbraw/zinc/18/09/90/136180990.db2.gz BGVRTEFIUKIJQQ-SFHVURJKSA-N 2 0 382.512 1.506 50 0 GDAARP O=C1CCCN1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012049857 570601147 /nfs/dbraw/zinc/60/11/47/570601147.db2.gz YUNXHIGBYWZALX-SFHVURJKSA-N 2 0 393.553 1.187 50 0 GDAARP CC(=O)NCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012453885 570668679 /nfs/dbraw/zinc/66/86/79/570668679.db2.gz VMNDUGDKANMFMX-QFIPXVFZSA-N 2 0 397.519 1.710 50 0 GDAARP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763240 570850349 /nfs/dbraw/zinc/85/03/49/570850349.db2.gz SKAGYQCWLTZDMN-HXUWFJFHSA-N 2 0 387.572 1.778 50 0 GDAARP COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)cn2)c1 ZINC000072150378 570873159 /nfs/dbraw/zinc/87/31/59/570873159.db2.gz VOHMMHHOWJVSCV-IBGZPJMESA-N 2 0 383.496 1.571 50 0 GDAARP COCCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000014965911 207034842 /nfs/dbraw/zinc/03/48/42/207034842.db2.gz SAZKRJNDINYRIB-QGZVFWFLSA-N 2 0 384.542 1.610 50 0 GDAARP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020540265 207202858 /nfs/dbraw/zinc/20/28/58/207202858.db2.gz XMWSFJSQNSPPQA-GOSISDBHSA-N 2 0 395.544 1.197 50 0 GDAARP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072434844 208026028 /nfs/dbraw/zinc/02/60/28/208026028.db2.gz APFZIFIPVAQIJF-OAQYLSRUSA-N 2 0 381.524 1.824 50 0 GDAARP COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@H]2[C@@H]([NH3+])[C@@H]3C=C[C@H]2O3)cc1 ZINC000095504977 208205837 /nfs/dbraw/zinc/20/58/37/208205837.db2.gz ZYGOTHNOWRYYTG-MBDNFAEBSA-N 2 0 399.535 1.689 50 0 GDAARP COCCn1c(CN2CCN(c3cc[nH+]c(C)c3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244724534 209024839 /nfs/dbraw/zinc/02/48/39/209024839.db2.gz MWACWCISUJTISM-QAQDUYKDSA-N 2 0 385.516 1.155 50 0 GDAARP C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)C[NH+]1CCCCCCC1)C2 ZINC000221190193 570391976 /nfs/dbraw/zinc/39/19/76/570391976.db2.gz GOBNFWIMDWQFPH-IBGZPJMESA-N 2 0 377.533 1.477 50 0 GDAARP O=C1CCCN1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011710268 570580607 /nfs/dbraw/zinc/58/06/07/570580607.db2.gz HUJNGRNJZFKJQH-LJQANCHMSA-N 2 0 375.513 1.624 50 0 GDAARP CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966778 570649932 /nfs/dbraw/zinc/64/99/32/570649932.db2.gz FIWJZEJSOUYBSG-LJQANCHMSA-N 2 0 390.503 1.574 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966784 570649999 /nfs/dbraw/zinc/64/99/99/570649999.db2.gz BBDMAGORBOWSMD-IBGZPJMESA-N 2 0 390.503 1.574 50 0 GDAARP [NH3+]CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071760218 570849618 /nfs/dbraw/zinc/84/96/18/570849618.db2.gz BTUCUONFCRETNP-SFHVURJKSA-N 2 0 387.528 1.140 50 0 GDAARP CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCN3CC[NH2+]CC3)C2=O)cc1 ZINC000067856560 207913366 /nfs/dbraw/zinc/91/33/66/207913366.db2.gz CKFVIPOJAANTFC-JOCHJYFZSA-N 2 0 388.556 1.158 50 0 GDAARP O=C(CCc1cc2n(n1)CC[NH2+]C2)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000072435052 208023860 /nfs/dbraw/zinc/02/38/60/208023860.db2.gz HOHREWKTSZACIL-FQEVSTJZSA-N 2 0 382.512 1.657 50 0 GDAARP Cc1ccc(-n2cccn2)c(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000091677991 208131977 /nfs/dbraw/zinc/13/19/77/208131977.db2.gz YCLIRKPLJGNBCW-NHCUHLMSSA-N 2 0 383.540 1.468 50 0 GDAARP COCC[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000426500047 533343287 /nfs/dbraw/zinc/34/32/87/533343287.db2.gz DUOZVGAEBUIBIS-SFHVURJKSA-N 2 0 375.517 1.580 50 0 GDAARP [NH3+]CCOc1cccc(CC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000426513579 534638051 /nfs/dbraw/zinc/63/80/51/534638051.db2.gz GJIIDAHDOOYTPR-HXUWFJFHSA-N 2 0 375.513 1.670 50 0 GDAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1OC ZINC000012306745 570639222 /nfs/dbraw/zinc/63/92/22/570639222.db2.gz OHZGEYATZLGMSB-GOSISDBHSA-N 2 0 376.501 1.832 50 0 GDAARP COc1cc(C[NH2+]CCc2ccco2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011838760 206225138 /nfs/dbraw/zinc/22/51/38/206225138.db2.gz IZLMJVPDZXWQMT-SFHVURJKSA-N 2 0 390.480 1.692 50 0 GDAARP CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000023053384 207269069 /nfs/dbraw/zinc/26/90/69/207269069.db2.gz WRBCWBGTXBBKCX-WOJBJXKFSA-N 2 0 386.540 1.792 50 0 GDAARP CC(C)[NH+]1CCC(C[N@@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)CC1 ZINC000082167163 208083477 /nfs/dbraw/zinc/08/34/77/208083477.db2.gz GLLOXPNNXWQZAI-UHFFFAOYSA-N 2 0 376.549 1.980 50 0 GDAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(Cn4cccn4)c3)C[C@@H]2CO)CC1 ZINC000095359704 208160543 /nfs/dbraw/zinc/16/05/43/208160543.db2.gz CWBCPIFHZJFOQB-FGZHOGPDSA-N 2 0 383.540 1.219 50 0 GDAARP O=C(NCCC1=CSC2=NCCCN12)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000102777756 570292138 /nfs/dbraw/zinc/29/21/38/570292138.db2.gz ZPFCJPRKVJFVCJ-ZDUSSCGKSA-N 2 0 375.502 1.048 50 0 GDAARP O=C(NCCC1=CSC2=NCCCN12)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000102777752 570292185 /nfs/dbraw/zinc/29/21/85/570292185.db2.gz ZPFCJPRKVJFVCJ-CYBMUJFWSA-N 2 0 375.502 1.048 50 0 GDAARP COc1cccc(C[N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c1OCCC[NH+](C)C ZINC000216529432 570302911 /nfs/dbraw/zinc/30/29/11/570302911.db2.gz NEUWGQQNHRMYMB-SEXKYXSUSA-N 2 0 378.513 1.589 50 0 GDAARP COCCOC1CC[NH+](Cc2cc(OC)ccc2OC[C@@H](O)C[NH+](C)C)CC1 ZINC000011842822 570587279 /nfs/dbraw/zinc/58/72/79/570587279.db2.gz BQLLDRFHXFATTR-SFHVURJKSA-N 2 0 396.528 1.624 50 0 GDAARP C[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000005525271 570624926 /nfs/dbraw/zinc/62/49/26/570624926.db2.gz XWQAKOITLBLGEO-UHFFFAOYSA-N 2 0 382.508 1.483 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000045966805 570649953 /nfs/dbraw/zinc/64/99/53/570649953.db2.gz MMWGBECYXGNTPO-FQEVSTJZSA-N 2 0 386.540 1.743 50 0 GDAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCSC)cc2)CC1 ZINC000012458606 570670194 /nfs/dbraw/zinc/67/01/94/570670194.db2.gz CJFBICTXMKBSEH-GOSISDBHSA-N 2 0 396.553 1.764 50 0 GDAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC(O)C1 ZINC000071440447 570835416 /nfs/dbraw/zinc/83/54/16/570835416.db2.gz FLRAKJVESPQQPE-IBGZPJMESA-N 2 0 383.536 1.533 50 0 GDAARP O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072147309 570872252 /nfs/dbraw/zinc/87/22/52/570872252.db2.gz CBRRENZIBBIODA-LJQANCHMSA-N 2 0 384.524 1.661 50 0 GDAARP COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000020602123 207205795 /nfs/dbraw/zinc/20/57/95/207205795.db2.gz DYBWVYPWHIRIEB-KRWDZBQOSA-N 2 0 382.549 1.728 50 0 GDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1nc(Cc3cccs3)no1)CC[NH2+]CC2 ZINC000072430977 208024708 /nfs/dbraw/zinc/02/47/08/208024708.db2.gz TULNUQLIZREZTR-AWEZNQCLSA-N 2 0 375.498 1.412 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cc4ccccc4n(C)c3=O)C[C@@H]2CO)CC1 ZINC000095385465 208174829 /nfs/dbraw/zinc/17/48/29/208174829.db2.gz HUOYAHLKLAEVLN-NHCUHLMSSA-N 2 0 398.551 1.216 50 0 GDAARP NC(=O)C1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095518582 208218180 /nfs/dbraw/zinc/21/81/80/208218180.db2.gz RUIJNYCNTGJWQT-FQEVSTJZSA-N 2 0 389.540 2.000 50 0 GDAARP C[NH+](C)CCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C1=O ZINC000299760857 209084880 /nfs/dbraw/zinc/08/48/80/209084880.db2.gz RUJLFYZOYQMDDW-FQEVSTJZSA-N 2 0 376.476 1.610 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCNC(C)=O ZINC000011709807 570580615 /nfs/dbraw/zinc/58/06/15/570580615.db2.gz NXESSXPCIBUFKJ-FQEVSTJZSA-N 2 0 396.576 1.184 50 0 GDAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071755233 570848510 /nfs/dbraw/zinc/84/85/10/570848510.db2.gz WRQIEGMCUYPMEY-LJQANCHMSA-N 2 0 386.540 1.268 50 0 GDAARP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071758762 570848994 /nfs/dbraw/zinc/84/89/94/570848994.db2.gz WOECXNKMSIPNBM-OAQYLSRUSA-N 2 0 399.583 1.874 50 0 GDAARP O[C@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)COCc1ccccc1 ZINC000019362621 570925330 /nfs/dbraw/zinc/92/53/30/570925330.db2.gz IBCNZEKXJOROFO-HSZRJFAPSA-N 2 0 383.536 1.972 50 0 GDAARP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccncc2)C1 ZINC000023352415 207275143 /nfs/dbraw/zinc/27/51/43/207275143.db2.gz WLPJJRONEUWCGT-NHCUHLMSSA-N 2 0 387.572 1.539 50 0 GDAARP C[N@H+](CCCN1CC2(CC[NH+](CCC(N)=O)CC2)OC1=O)C1CCCCC1 ZINC000077437664 208043385 /nfs/dbraw/zinc/04/33/85/208043385.db2.gz QYGNAVNXYCJZHX-UHFFFAOYSA-N 2 0 380.533 1.803 50 0 GDAARP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1C ZINC000092046643 208146033 /nfs/dbraw/zinc/14/60/33/208146033.db2.gz XGQPNCNUZABVTG-LTCOOKNTSA-N 2 0 377.533 1.313 50 0 GDAARP O=C1C[C@H](C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)CN1c1ccccc1 ZINC000299789744 209088004 /nfs/dbraw/zinc/08/80/04/209088004.db2.gz AJINPBXHJFWLPD-LJQANCHMSA-N 2 0 386.540 1.114 50 0 GDAARP CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)C[NH+](C)C)CC2)CC1 ZINC000011934869 570593657 /nfs/dbraw/zinc/59/36/57/570593657.db2.gz IGIZHMHIGIZUHK-UHFFFAOYSA-N 2 0 387.572 1.778 50 0 GDAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]C3CCC3)c2)CC1 ZINC000011946600 570595010 /nfs/dbraw/zinc/59/50/10/570595010.db2.gz PIFVYUDPUPCPQR-LJQANCHMSA-N 2 0 376.497 1.953 50 0 GDAARP Cc1nc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257288 570756036 /nfs/dbraw/zinc/75/60/36/570756036.db2.gz WXOAJZFPCADSTH-UHFFFAOYSA-N 2 0 376.549 1.134 50 0 GDAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071589570 570841317 /nfs/dbraw/zinc/84/13/17/570841317.db2.gz PDXYFIJAWCBENM-MRXNPFEDSA-N 2 0 390.532 1.270 50 0 GDAARP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071681443 570842328 /nfs/dbraw/zinc/84/23/28/570842328.db2.gz IIHVJPKRRBXPMH-HXUWFJFHSA-N 2 0 399.583 1.968 50 0 GDAARP O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC[NH2+]CC1 ZINC000071748204 570845745 /nfs/dbraw/zinc/84/57/45/570845745.db2.gz RRZGFTSEKXWXCO-KRWDZBQOSA-N 2 0 397.523 1.940 50 0 GDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072134459 570869332 /nfs/dbraw/zinc/86/93/32/570869332.db2.gz KSVJVCLXVNYAJU-NRFANRHFSA-N 3 0 384.568 1.885 50 0 GDAARP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000072163829 570876252 /nfs/dbraw/zinc/87/62/52/570876252.db2.gz JKSPOKJMCJWOSS-FQEVSTJZSA-N 2 0 399.583 1.968 50 0 GDAARP O[C@@H](COc1ccccc1C[NH2+]CCN1CCCC1)C[NH+]1CCSCC1 ZINC000023359831 207275673 /nfs/dbraw/zinc/27/56/73/207275673.db2.gz FHUXTPLFSLRESY-LJQANCHMSA-N 2 0 379.570 1.661 50 0 GDAARP CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]([NH3+])C3CC3)CC2)OC1=O ZINC000077379325 208040709 /nfs/dbraw/zinc/04/07/09/208040709.db2.gz LPQPWQYKBNMDQD-KRWDZBQOSA-N 2 0 380.533 1.515 50 0 GDAARP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082156677 208081664 /nfs/dbraw/zinc/08/16/64/208081664.db2.gz QUGRCJWDSLCCAQ-OAQYLSRUSA-N 2 0 399.583 1.970 50 0 GDAARP C[C@@H]([NH3+])C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095507593 208206912 /nfs/dbraw/zinc/20/69/12/208206912.db2.gz OPAOQAZRMXDYSU-GOSISDBHSA-N 3 0 386.584 1.993 50 0 GDAARP C[NH+](C)C[C@H](O)COc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC000095528710 208225453 /nfs/dbraw/zinc/22/54/53/208225453.db2.gz UVYDWNRWFLVZLQ-SFHVURJKSA-N 2 0 377.485 1.405 50 0 GDAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095528263 208225482 /nfs/dbraw/zinc/22/54/82/208225482.db2.gz IMPKXQOSMNHTEJ-GOSISDBHSA-N 2 0 396.553 1.706 50 0 GDAARP CCc1cc(N2CCC([NH2+]CCS(C)(=O)=O)CC2)nc(N2CCCC2)[nH+]1 ZINC000095504860 136180163 /nfs/dbraw/zinc/18/01/63/136180163.db2.gz NSENBCVXTKNCTF-UHFFFAOYSA-N 2 0 381.546 1.242 50 0 GDAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1OC ZINC000012306747 570639100 /nfs/dbraw/zinc/63/91/00/570639100.db2.gz OHZGEYATZLGMSB-SFHVURJKSA-N 2 0 376.501 1.832 50 0 GDAARP COCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000012372962 570648304 /nfs/dbraw/zinc/64/83/04/570648304.db2.gz CBIBWOSQEKHZKX-SFHVURJKSA-N 2 0 377.529 1.944 50 0 GDAARP CC(=O)NCC[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012453888 570668630 /nfs/dbraw/zinc/66/86/30/570668630.db2.gz VMNDUGDKANMFMX-JOCHJYFZSA-N 2 0 397.519 1.710 50 0 GDAARP C[NH+]1CCC(O)(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067489640 570780632 /nfs/dbraw/zinc/78/06/32/570780632.db2.gz IZCREEYUTYABJC-JOCHJYFZSA-N 2 0 389.540 1.019 50 0 GDAARP C[NH+]1CCC(Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067713987 570788011 /nfs/dbraw/zinc/78/80/11/570788011.db2.gz LBZLLKROXFBRMI-UHFFFAOYSA-N 2 0 387.528 1.525 50 0 GDAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749770 570846435 /nfs/dbraw/zinc/84/64/35/570846435.db2.gz BERLCMOZZYIYQV-OAQYLSRUSA-N 2 0 399.583 1.922 50 0 GDAARP CC[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(OC)c1)C1CC1 ZINC000095523383 571088880 /nfs/dbraw/zinc/08/88/80/571088880.db2.gz RUCOPOVWGCGLSR-LJQANCHMSA-N 2 0 378.513 1.876 50 0 GDAARP O[C@H](C[NH2+]C1CCCCC1)CN1CCN(C[C@@H](O)C[NH2+]C2CCCCC2)CC1 ZINC000022467913 207255647 /nfs/dbraw/zinc/25/56/47/207255647.db2.gz PLNXOLIDWMZROI-SZPZYZBQSA-N 2 0 396.620 1.170 50 0 GDAARP COc1cc2c(cc1CNC(=O)[C@@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)OCCO2 ZINC000072422835 208021324 /nfs/dbraw/zinc/02/13/24/208021324.db2.gz RYMCFKYRPZDKGG-HNNXBMFYSA-N 2 0 375.469 1.157 50 0 GDAARP COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000091364589 208118280 /nfs/dbraw/zinc/11/82/80/208118280.db2.gz TYPHWSNBWWKNMR-MOPGFXCFSA-N 2 0 386.496 1.776 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CC2)c1 ZINC000095498127 208198016 /nfs/dbraw/zinc/19/80/16/208198016.db2.gz OSSXXONODXSKPJ-IBGZPJMESA-N 2 0 378.513 1.733 50 0 GDAARP COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095516767 208215783 /nfs/dbraw/zinc/21/57/83/208215783.db2.gz UGOCPPXWPHBKQC-IBGZPJMESA-N 2 0 378.513 1.735 50 0 GDAARP CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCCCC3)C2=O)cc1 ZINC000004827073 570295347 /nfs/dbraw/zinc/29/53/47/570295347.db2.gz VUJVKPCOTBDNNB-GOSISDBHSA-N 2 0 387.480 1.961 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811738 570433847 /nfs/dbraw/zinc/43/38/47/570433847.db2.gz SKGJIQBBSMPRRP-NJDAHSKKSA-N 2 0 391.556 1.457 50 0 GDAARP C[NH+](C)[C@H]1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067472628 570780628 /nfs/dbraw/zinc/78/06/28/570780628.db2.gz QLWWCGHPPAOOCZ-IBGZPJMESA-N 2 0 387.528 1.159 50 0 GDAARP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[NH+]4CCCCCC4)cc3)nn2)C[NH2+]1 ZINC000067714410 570788076 /nfs/dbraw/zinc/78/80/76/570788076.db2.gz PIJXCMIPMSIVOP-MOPGFXCFSA-N 2 0 382.512 1.970 50 0 GDAARP CS(=O)(=O)N1CCC([NH2+]CC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000067723689 570788081 /nfs/dbraw/zinc/78/80/81/570788081.db2.gz OTZMOPYVEBKIGF-UHFFFAOYSA-N 2 0 379.570 1.955 50 0 GDAARP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nn2)C[NH2+]1 ZINC000067955066 570798357 /nfs/dbraw/zinc/79/83/57/570798357.db2.gz AZIJYYULYQBLQG-QXGSTGNESA-N 2 0 398.511 1.203 50 0 GDAARP [NH3+]CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071707763 570843386 /nfs/dbraw/zinc/84/33/86/570843386.db2.gz BGKZEVOCTXYINY-FQEVSTJZSA-N 3 0 384.568 1.795 50 0 GDAARP Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)CC2)n1 ZINC000071753174 570847366 /nfs/dbraw/zinc/84/73/66/570847366.db2.gz XAQRBVDIBCHFIK-UHFFFAOYSA-N 2 0 387.572 1.744 50 0 GDAARP [NH3+]CCCC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072157135 570874413 /nfs/dbraw/zinc/87/44/13/570874413.db2.gz QDWOWDWFQXANCX-SFHVURJKSA-N 2 0 388.512 1.263 50 0 GDAARP Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2N1CC[NH+](C)CC1 ZINC000033266219 570883987 /nfs/dbraw/zinc/88/39/87/570883987.db2.gz IDZBDEGLKHFPSQ-UHFFFAOYSA-N 2 0 398.559 1.570 50 0 GDAARP COc1ccc(C[N@H+](C)CC2CC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095496894 211249802 /nfs/dbraw/zinc/24/98/02/211249802.db2.gz QGEOVPCFVNZZDJ-LJQANCHMSA-N 2 0 377.529 1.524 50 0 GDAARP C[NH+](C)Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091616426 211199429 /nfs/dbraw/zinc/19/94/29/211199429.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 3 0 380.602 1.488 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2CO)CC1 ZINC000091768755 211206282 /nfs/dbraw/zinc/20/62/82/211206282.db2.gz UUCVUIONIVUVFV-WOJBJXKFSA-N 2 0 384.524 1.206 50 0 GDAARP C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@H+](C)C1CC1 ZINC000089900552 211185150 /nfs/dbraw/zinc/18/51/50/211185150.db2.gz UTCJPKBEZMAVRT-CYBMUJFWSA-N 2 0 396.919 1.818 50 0 GDAARP CCN1CCC([NH+]2CCC3(CN(CC[N@H+](C)CCOC)C(=O)O3)CC2)CC1 ZINC000072448043 211120256 /nfs/dbraw/zinc/12/02/56/211120256.db2.gz YHBLWLBWNFCJRV-UHFFFAOYSA-N 2 0 382.549 1.336 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)CC1 ZINC000072406772 211114577 /nfs/dbraw/zinc/11/45/77/211114577.db2.gz ALMFXMLUOSPQKB-UHFFFAOYSA-N 2 0 380.533 1.090 50 0 GDAARP COCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1 ZINC000020451184 210335945 /nfs/dbraw/zinc/33/59/45/210335945.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 0 395.544 1.151 50 0 GDAARP [NH3+]CCOc1cccc(CC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000426513577 534637693 /nfs/dbraw/zinc/63/76/93/534637693.db2.gz GJIIDAHDOOYTPR-FQEVSTJZSA-N 2 0 375.513 1.670 50 0 GDAARP Cc1cccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000035422014 570553127 /nfs/dbraw/zinc/55/31/27/570553127.db2.gz YBUVQRLDJCZQNH-UHFFFAOYSA-N 2 0 386.540 1.745 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966780 570650035 /nfs/dbraw/zinc/65/00/35/570650035.db2.gz FIWJZEJSOUYBSG-IBGZPJMESA-N 2 0 390.503 1.574 50 0 GDAARP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426503237 231231055 /nfs/dbraw/zinc/23/10/55/231231055.db2.gz GZCNLYCKUZDPJX-QFIPXVFZSA-N 2 0 385.556 1.589 50 0 GDAARP Cc1nncn1CC[N@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000095509477 211259974 /nfs/dbraw/zinc/25/99/74/211259974.db2.gz WRKYTTLJWHKTNK-GOSISDBHSA-N 2 0 376.549 1.631 50 0 GDAARP COc1ccc(C[N@H+](C)CC2CC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095496893 211250432 /nfs/dbraw/zinc/25/04/32/211250432.db2.gz QGEOVPCFVNZZDJ-IBGZPJMESA-N 2 0 377.529 1.524 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cc(C)c(OC)cc3C)C[C@@H]2CO)CC1 ZINC000091650957 211201690 /nfs/dbraw/zinc/20/16/90/211201690.db2.gz KDOLEUPLEDSJTN-NHCUHLMSSA-N 2 0 375.557 1.990 50 0 GDAARP COc1cccc(OC)c1C[N@@H+]1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091526850 211193769 /nfs/dbraw/zinc/19/37/69/211193769.db2.gz LNXLFLNVNVCWQB-NRFANRHFSA-N 2 0 378.513 1.999 50 0 GDAARP CC[NH+](CC)CC(=O)N(C[C@@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934888 221139269 /nfs/dbraw/zinc/13/92/69/221139269.db2.gz NKKBOEUNWHPOKL-NRFANRHFSA-N 3 0 396.620 2.000 50 0 GDAARP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)CC2)nc(N)[nH+]1 ZINC000095528461 136181729 /nfs/dbraw/zinc/18/17/29/136181729.db2.gz ZDHVBNUWGQJRGL-MRXNPFEDSA-N 2 0 384.484 1.521 50 0 GDAARP CC[NH+](CC)C[C@@H](O)Cn1c2ccccc2n(C[C@H](O)C[NH+](CC)CC)c1=O ZINC000019899238 570232661 /nfs/dbraw/zinc/23/26/61/570232661.db2.gz WVAUVRHVHSODTC-QZTJIDSGSA-N 2 0 392.544 1.208 50 0 GDAARP CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000023053383 570341642 /nfs/dbraw/zinc/34/16/42/570341642.db2.gz WRBCWBGTXBBKCX-BGYRXZFFSA-N 2 0 386.540 1.792 50 0 GDAARP CC(=O)NCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012091614 570607751 /nfs/dbraw/zinc/60/77/51/570607751.db2.gz IWPLDTNKYLKQEB-GOSISDBHSA-N 2 0 392.519 1.564 50 0 GDAARP CCn1c(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252551802 570730152 /nfs/dbraw/zinc/73/01/52/570730152.db2.gz UHHCJMCPGRKUPQ-WNKDZCFJSA-N 2 0 376.549 1.576 50 0 GDAARP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000095506163 211257673 /nfs/dbraw/zinc/25/76/73/211257673.db2.gz GCIAOFIAOPSEJD-LJQANCHMSA-N 2 0 379.545 1.913 50 0 GDAARP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095382649 211231971 /nfs/dbraw/zinc/23/19/71/211231971.db2.gz IFLGKSXPNCJPST-NHCUHLMSSA-N 2 0 383.540 1.468 50 0 GDAARP O=C(C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000092066417 211215071 /nfs/dbraw/zinc/21/50/71/211215071.db2.gz ULHPCOPQCZAPGQ-UHFFFAOYSA-N 2 0 384.524 1.323 50 0 GDAARP C[NH+]1CCN(CCOc2ccccc2C[NH+]2CCC3(CNC(=O)C3)CC2)CC1 ZINC000077505424 211136173 /nfs/dbraw/zinc/13/61/73/211136173.db2.gz NDDVSINLJJDVAF-UHFFFAOYSA-N 2 0 386.540 1.415 50 0 GDAARP C[C@@H]([NH3+])C(=O)N1CCC2(CN(CC[N@H+](C)CCc3ccccc3)C(=O)O2)CC1 ZINC000077437999 211134909 /nfs/dbraw/zinc/13/49/09/211134909.db2.gz WVBDMHNNAHLWRN-QGZVFWFLSA-N 2 0 388.512 1.322 50 0 GDAARP C[N@@H+]1CCC[C@H](Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067934855 211029267 /nfs/dbraw/zinc/02/92/67/211029267.db2.gz LQIPKGZYEDBKEF-SFHVURJKSA-N 2 0 387.528 1.525 50 0 GDAARP Cc1cc(N2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)nc(N)[nH+]1 ZINC000071714632 136165773 /nfs/dbraw/zinc/16/57/73/136165773.db2.gz COHYSBHSDFZPIN-WOJBJXKFSA-N 2 0 396.539 1.167 50 0 GDAARP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019534937 210258179 /nfs/dbraw/zinc/25/81/79/210258179.db2.gz GFDLEUSEOVTFCN-LJQANCHMSA-N 2 0 379.545 1.770 50 0 GDAARP COc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc(OC)c1OCCC[NH3+] ZINC000299795528 212039129 /nfs/dbraw/zinc/03/91/29/212039129.db2.gz LUVKNJGSRVABFW-UHFFFAOYSA-N 2 0 391.512 1.989 50 0 GDAARP COc1cccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1OC ZINC000091906745 211210176 /nfs/dbraw/zinc/21/01/76/211210176.db2.gz VJRRUTPRIGJGRL-NRFANRHFSA-N 2 0 378.513 1.999 50 0 GDAARP COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1C ZINC000091306052 211190075 /nfs/dbraw/zinc/19/00/75/211190075.db2.gz HTLLMSHRXMUBMP-NHCUHLMSSA-N 2 0 375.557 1.990 50 0 GDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1nc(Cc3cccs3)no1)CC[NH2+]CC2 ZINC000072430976 211117952 /nfs/dbraw/zinc/11/79/52/211117952.db2.gz TULNUQLIZREZTR-CQSZACIVSA-N 2 0 375.498 1.412 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CCN([C@@H]4CCC[NH2+]C4)CC3)OC2=O)CC1 ZINC000072426813 211117154 /nfs/dbraw/zinc/11/71/54/211117154.db2.gz ZGSZYCFYWDNSLX-LJQANCHMSA-N 2 0 393.576 1.053 50 0 GDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072170412 211080437 /nfs/dbraw/zinc/08/04/37/211080437.db2.gz QRGINZAMBVTMAQ-KRWDZBQOSA-N 2 0 383.496 1.225 50 0 GDAARP CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1C ZINC000072169614 211079766 /nfs/dbraw/zinc/07/97/66/211079766.db2.gz WBIGKMZBTHFTIH-GOSISDBHSA-N 2 0 377.533 1.227 50 0 GDAARP C[NH2+]C1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067850052 211024687 /nfs/dbraw/zinc/02/46/87/211024687.db2.gz NJKCUVQOKVLSDT-UHFFFAOYSA-N 2 0 387.528 1.207 50 0 GDAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](C1CCN(c3ccccc3F)CC1)CC2 ZINC000091468606 136176504 /nfs/dbraw/zinc/17/65/04/136176504.db2.gz FVKRIVASXGTPNE-UXHICEINSA-N 2 0 377.504 1.985 50 0 GDAARP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000102832853 570292785 /nfs/dbraw/zinc/29/27/85/570292785.db2.gz FHXIIAAXNMBPTF-UYELZLHISA-N 2 0 381.476 1.269 50 0 GDAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCSC)c2)CC1 ZINC000011817449 570436255 /nfs/dbraw/zinc/43/62/55/570436255.db2.gz GHQRMAOMUCOJMN-GOSISDBHSA-N 2 0 396.553 1.764 50 0 GDAARP O[C@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[NH+]1CCC(O)CC1 ZINC000011999848 570597915 /nfs/dbraw/zinc/59/79/15/570597915.db2.gz ICFLEZZIPCTMNC-FQEVSTJZSA-N 2 0 388.512 1.259 50 0 GDAARP COc1cc(C[NH2+]CCn2cccn2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012049974 570600924 /nfs/dbraw/zinc/60/09/24/570600924.db2.gz IXHJOKXVOWUYOK-GOSISDBHSA-N 2 0 376.501 1.761 50 0 GDAARP Cc1[nH+]c(CN2C[C@@H](CO)C[C@H](C[N@H+]3CCCN(C)CC3)C2)c2ccccn12 ZINC000091439970 211191760 /nfs/dbraw/zinc/19/17/60/211191760.db2.gz ZULWZMUCXZHHTA-UXHICEINSA-N 2 0 385.556 1.711 50 0 GDAARP C[NH+](C)CCN1C[C@@]2(CCC[N@H+](Cc3cccc(OCCO)c3)C2)CCC1=O ZINC000091425066 211191416 /nfs/dbraw/zinc/19/14/16/211191416.db2.gz QXWYQAJFPCTOPN-QFIPXVFZSA-N 2 0 389.540 1.824 50 0 GDAARP C[C@@H]([NH3+])C(=O)N1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077519000 211135885 /nfs/dbraw/zinc/13/58/85/211135885.db2.gz PRLJDEDWMWJLRY-MRXNPFEDSA-N 2 0 380.533 1.802 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+]([C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072480182 211124169 /nfs/dbraw/zinc/12/41/69/211124169.db2.gz UVFIXYWDSBGQSD-SFHVURJKSA-N 2 0 380.533 1.090 50 0 GDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2nnc(-c3ccccc3)n2CC1 ZINC000072166000 211080884 /nfs/dbraw/zinc/08/08/84/211080884.db2.gz JYASYJYTIBRKSK-KRWDZBQOSA-N 2 0 380.496 1.062 50 0 GDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000072159214 211077643 /nfs/dbraw/zinc/07/76/43/211077643.db2.gz DIYKABXQCDZIMB-MRXNPFEDSA-N 2 0 377.920 1.111 50 0 GDAARP Cc1cc[nH+]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CC2CCCCC2)c1 ZINC000072152613 211077300 /nfs/dbraw/zinc/07/73/00/211077300.db2.gz QYTZVXOYJNLJLX-GOSISDBHSA-N 2 0 387.528 1.689 50 0 GDAARP CC(C)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776394 211063272 /nfs/dbraw/zinc/06/32/72/211063272.db2.gz YMPMAWMIBCAKHZ-FQEVSTJZSA-N 2 0 376.520 1.790 50 0 GDAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738727 211053859 /nfs/dbraw/zinc/05/38/59/211053859.db2.gz LJKAYCARAQHZGO-OAQYLSRUSA-N 2 0 399.583 1.922 50 0 GDAARP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071750395 211055765 /nfs/dbraw/zinc/05/57/65/211055765.db2.gz NTCSUCMGXAUHDD-IBGZPJMESA-N 2 0 385.556 1.708 50 0 GDAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC(O)C1 ZINC000071440448 211049862 /nfs/dbraw/zinc/04/98/62/211049862.db2.gz FLRAKJVESPQQPE-LJQANCHMSA-N 2 0 383.536 1.533 50 0 GDAARP COCC[N@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000020910062 210368035 /nfs/dbraw/zinc/36/80/35/210368035.db2.gz CEXHGKOAPDEXLL-HXUWFJFHSA-N 2 0 379.545 1.531 50 0 GDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCOC(C)C)c2)CC1 ZINC000019770776 210295966 /nfs/dbraw/zinc/29/59/66/210295966.db2.gz LPFJFGQHYAFSTJ-NRFANRHFSA-N 2 0 393.572 1.969 50 0 GDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1 ZINC000019745363 210291409 /nfs/dbraw/zinc/29/14/09/210291409.db2.gz LIVPQHZUAMFFKN-IBGZPJMESA-N 2 0 381.586 1.907 50 0 GDAARP C[NH+](C)CCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C1=O ZINC000299760862 212032584 /nfs/dbraw/zinc/03/25/84/212032584.db2.gz RUJLFYZOYQMDDW-HXUWFJFHSA-N 2 0 376.476 1.610 50 0 GDAARP C[NH+](C)CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082108203 211161598 /nfs/dbraw/zinc/16/15/98/211161598.db2.gz RNIFYEXDHJSFQV-SFHVURJKSA-N 2 0 378.561 1.654 50 0 GDAARP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)nn2)C[NH2+]1 ZINC000067850834 211025040 /nfs/dbraw/zinc/02/50/40/211025040.db2.gz NDDBCGJJQAFMIK-OALUTQOASA-N 2 0 382.512 1.826 50 0 GDAARP COCCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000014965907 210135843 /nfs/dbraw/zinc/13/58/43/210135843.db2.gz SAZKRJNDINYRIB-KRWDZBQOSA-N 2 0 384.542 1.610 50 0 GDAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095528425 211273014 /nfs/dbraw/zinc/27/30/14/211273014.db2.gz YSUOPLTYOGYSCF-IBGZPJMESA-N 2 0 378.513 1.878 50 0 GDAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454595 211122192 /nfs/dbraw/zinc/12/21/92/211122192.db2.gz OBHGDILKQAFTIL-LJQANCHMSA-N 2 0 394.560 1.478 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CCN(CC(C)(C)[NH3+])CC3)OC2=O)CC1 ZINC000072407107 211114127 /nfs/dbraw/zinc/11/41/27/211114127.db2.gz NNXUJDNRMYUIBW-UHFFFAOYSA-N 2 0 381.565 1.038 50 0 GDAARP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760764 211058132 /nfs/dbraw/zinc/05/81/32/211058132.db2.gz JHOXOLCIKSNORG-LJQANCHMSA-N 3 0 382.552 1.500 50 0 GDAARP C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071759137 211058464 /nfs/dbraw/zinc/05/84/64/211058464.db2.gz HPYHZSBEEUWHPX-MRXNPFEDSA-N 2 0 385.512 1.844 50 0 GDAARP O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CC[NH+]1CCCC1 ZINC000067434434 211009915 /nfs/dbraw/zinc/00/99/15/211009915.db2.gz UOUNDOMRZWLVJL-OAQYLSRUSA-N 2 0 388.487 1.754 50 0 GDAARP COc1ccc(C[NH2+]Cc2ccccc2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019837144 210302515 /nfs/dbraw/zinc/30/25/15/210302515.db2.gz BDLLXYLFDNFSSC-NRFANRHFSA-N 2 0 399.535 1.972 50 0 GDAARP Cc1nn(C)cc1C[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011946248 570594978 /nfs/dbraw/zinc/59/49/78/570594978.db2.gz OJAHBLUCERAHKC-LJQANCHMSA-N 2 0 390.553 1.807 50 0 GDAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000015062830 210146012 /nfs/dbraw/zinc/14/60/12/210146012.db2.gz UQKSLEWYZMAEAR-LJQANCHMSA-N 2 0 396.528 1.406 50 0 GDAARP COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095516625 211265119 /nfs/dbraw/zinc/26/51/19/211265119.db2.gz AKTOPHSXLPZGDL-GOSISDBHSA-N 2 0 391.512 1.228 50 0 GDAARP C[N@@H+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000095506237 211256990 /nfs/dbraw/zinc/25/69/90/211256990.db2.gz WWPBCIMLLVKFDL-HXUWFJFHSA-N 2 0 391.556 1.409 50 0 GDAARP CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077406286 211131904 /nfs/dbraw/zinc/13/19/04/211131904.db2.gz BZOZPKFWMHCKLW-QGZVFWFLSA-N 2 0 380.533 1.530 50 0 GDAARP Cc1ccc([C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072424871 211115731 /nfs/dbraw/zinc/11/57/31/211115731.db2.gz BLYNKSRJBZPPDV-CEWLAPEOSA-N 2 0 394.523 1.638 50 0 GDAARP [NH3+]C1(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2OCc2cccnc2)CC1 ZINC000072142019 211074024 /nfs/dbraw/zinc/07/40/24/211074024.db2.gz FRYGMIVKZVOCNV-UXHICEINSA-N 2 0 392.503 1.950 50 0 GDAARP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767676 211060834 /nfs/dbraw/zinc/06/08/34/211060834.db2.gz OMICTWWDSOBERS-FQEVSTJZSA-N 2 0 387.572 1.826 50 0 GDAARP Cc1cccc(N2CC[NH+](CCC(=O)NCc3cc4n(n3)CC[NH2+]C4)CC2)c1 ZINC000082107272 136173575 /nfs/dbraw/zinc/17/35/75/136173575.db2.gz VFQMFWHZHMRFSS-UHFFFAOYSA-N 2 0 382.512 1.123 50 0 GDAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(F)c3)C[C@H]2C(=O)NC)CC1 ZINC000023361954 570322116 /nfs/dbraw/zinc/32/21/16/570322116.db2.gz OSXHEEQMKZAZHU-QUCCMNQESA-N 2 0 376.520 1.979 50 0 GDAARP CC(C)C[N@@H+]1C[C@@H](CN2CC[NH+](C)CC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000023353966 570355670 /nfs/dbraw/zinc/35/56/70/570355670.db2.gz YSVJCSFRFXGPFP-AQNXPRMDSA-N 2 0 380.577 1.123 50 0 GDAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C[NH+]1CCCCCCC1)C2 ZINC000221190248 570391984 /nfs/dbraw/zinc/39/19/84/570391984.db2.gz GOBNFWIMDWQFPH-LJQANCHMSA-N 2 0 377.533 1.477 50 0 GDAARP C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000045966918 570650021 /nfs/dbraw/zinc/65/00/21/570650021.db2.gz AHMWAOBSCQXFGE-LJQANCHMSA-N 2 0 386.540 1.825 50 0 GDAARP COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014976028 210139588 /nfs/dbraw/zinc/13/95/88/210139588.db2.gz KBSVRAOHJLNRGO-IBGZPJMESA-N 2 0 388.512 1.897 50 0 GDAARP CN(C)[C@@H](C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000091664959 211201252 /nfs/dbraw/zinc/20/12/52/211201252.db2.gz DQCMZCDXNHUZPM-HXUWFJFHSA-N 2 0 376.520 1.914 50 0 GDAARP COc1cc(CNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000072469921 211122182 /nfs/dbraw/zinc/12/21/82/211122182.db2.gz YNPFILIHMFAAIS-HNNXBMFYSA-N 2 0 377.485 1.403 50 0 GDAARP COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC(C[NH3+])CC3)C2=O)c1 ZINC000067967684 211030927 /nfs/dbraw/zinc/03/09/27/211030927.db2.gz UAFRKCJTDQJZSN-HXUWFJFHSA-N 2 0 379.476 1.359 50 0 GDAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC ZINC000011842646 221132022 /nfs/dbraw/zinc/13/20/22/221132022.db2.gz ZOFKLXLGVFWAGV-SFHVURJKSA-N 2 0 376.501 1.800 50 0 GDAARP COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)cc1 ZINC000065314922 570758134 /nfs/dbraw/zinc/75/81/34/570758134.db2.gz AZLXVIJJLZHWMV-UHFFFAOYSA-N 2 0 388.512 1.055 50 0 GDAARP C[NH+](C)CCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH2+]CC2)C1=O ZINC000299774366 212034995 /nfs/dbraw/zinc/03/49/95/212034995.db2.gz HJBZXTSWIGAOEV-HXUWFJFHSA-N 2 0 376.476 1.610 50 0 GDAARP CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000096879113 211349044 /nfs/dbraw/zinc/34/90/44/211349044.db2.gz LYZOPCVCCBBGCW-HXUWFJFHSA-N 2 0 382.512 1.422 50 0 GDAARP CC(=O)N1CCC[N@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000095529607 211276036 /nfs/dbraw/zinc/27/60/36/211276036.db2.gz RWCUTUPNNNXJHO-NRFANRHFSA-N 2 0 389.540 1.966 50 0 GDAARP O=C(C[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000091468384 211191331 /nfs/dbraw/zinc/19/13/31/211191331.db2.gz ANXMHZGQNZPJOY-UHFFFAOYSA-N 2 0 398.551 1.366 50 0 GDAARP O[C@]1(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000077455457 211134814 /nfs/dbraw/zinc/13/48/14/211134814.db2.gz ZOJPLIJZRXZVHX-QHCPKHFHSA-N 2 0 381.520 1.745 50 0 GDAARP O[C@@]1(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000077455455 211134874 /nfs/dbraw/zinc/13/48/74/211134874.db2.gz ZOJPLIJZRXZVHX-HSZRJFAPSA-N 2 0 381.520 1.745 50 0 GDAARP CC1CC[NH+](Cc2ccc(C(=O)N3CCO[C@]4(C3)C[NH2+]CCOC4)o2)CC1 ZINC000072130903 211072335 /nfs/dbraw/zinc/07/23/35/211072335.db2.gz ZJGFKBWCEATXRP-FQEVSTJZSA-N 2 0 377.485 1.343 50 0 GDAARP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071681446 211051718 /nfs/dbraw/zinc/05/17/18/211051718.db2.gz IIHVJPKRRBXPMH-FQEVSTJZSA-N 2 0 399.583 1.968 50 0 GDAARP CCn1cnnc1CC[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095507170 136180473 /nfs/dbraw/zinc/18/04/73/136180473.db2.gz CUKLYIJKYGEADO-UHFFFAOYSA-N 2 0 384.532 1.798 50 0 GDAARP COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000072280923 570465273 /nfs/dbraw/zinc/46/52/73/570465273.db2.gz NJOZNBZZCMJAOR-KRWDZBQOSA-N 2 0 377.529 1.785 50 0 GDAARP COc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1OCCC[NH3+] ZINC000426621858 570502038 /nfs/dbraw/zinc/50/20/38/570502038.db2.gz XIHPVRMSIDQSBG-UHFFFAOYSA-N 2 0 377.485 1.360 50 0 GDAARP O=C1CCCN1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011710279 570580635 /nfs/dbraw/zinc/58/06/35/570580635.db2.gz HUJNGRNJZFKJQH-IBGZPJMESA-N 2 0 375.513 1.624 50 0 GDAARP Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000095522003 211266996 /nfs/dbraw/zinc/26/69/96/211266996.db2.gz QIHJUAIATSDMEV-LJQANCHMSA-N 2 0 379.512 1.941 50 0 GDAARP COc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095517028 211264447 /nfs/dbraw/zinc/26/44/47/211264447.db2.gz TYGDITIDQDCJAF-GOSISDBHSA-N 2 0 396.528 1.094 50 0 GDAARP C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]([NH3+])c1ccccc1)CC2 ZINC000095370533 211227473 /nfs/dbraw/zinc/22/74/73/211227473.db2.gz CTUSEUDULXLSJF-FQEVSTJZSA-N 2 0 386.540 1.869 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(OC)c(C)c3C)C[C@@H]2CO)CC1 ZINC000091985716 211213031 /nfs/dbraw/zinc/21/30/31/211213031.db2.gz XIOMEWKGXXNZQI-NHCUHLMSSA-N 2 0 375.557 1.990 50 0 GDAARP COc1ccc2cc(C[NH+]3CCC4(CC3)[C@H](O)C[C@@H]4OCC[NH3+])c(=O)[nH]c2c1 ZINC000091304198 211189863 /nfs/dbraw/zinc/18/98/63/211189863.db2.gz KJXCKVHRECWYCO-MOPGFXCFSA-N 2 0 387.480 1.227 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cc4c(c(OC)c3)OCO4)C[C@@H]2CO)CC1 ZINC000091426630 211192171 /nfs/dbraw/zinc/19/21/71/211192171.db2.gz ZYEJOJWFAVKYQB-QZTJIDSGSA-N 2 0 391.512 1.102 50 0 GDAARP C[NH+](C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)OC1=O ZINC000072419576 211115682 /nfs/dbraw/zinc/11/56/82/211115682.db2.gz CEICDBWJSWKFLS-UHFFFAOYSA-N 2 0 375.469 1.806 50 0 GDAARP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738728 211054597 /nfs/dbraw/zinc/05/45/97/211054597.db2.gz LJKAYCARAQHZGO-NRFANRHFSA-N 2 0 399.583 1.922 50 0 GDAARP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747623 211053258 /nfs/dbraw/zinc/05/32/58/211053258.db2.gz YVNAMWDHUCCWAE-HXUWFJFHSA-N 2 0 387.572 1.826 50 0 GDAARP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071721584 211052275 /nfs/dbraw/zinc/05/22/75/211052275.db2.gz ZNDXMRDFNJELOF-OAQYLSRUSA-N 2 0 399.583 1.874 50 0 GDAARP O=C(CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000071297209 211043943 /nfs/dbraw/zinc/04/39/43/211043943.db2.gz VSRWQHJKGNUZDG-UHFFFAOYSA-N 2 0 388.512 1.500 50 0 GDAARP Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1 ZINC000045966928 570649983 /nfs/dbraw/zinc/64/99/83/570649983.db2.gz VMPMMBLUWKRVCI-UHFFFAOYSA-N 2 0 386.540 1.745 50 0 GDAARP COCCn1c(CN2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252552156 570730093 /nfs/dbraw/zinc/73/00/93/570730093.db2.gz UPZIHWPJMGQWOA-CALCHBBNSA-N 2 0 376.549 1.580 50 0 GDAARP COc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095517027 211263789 /nfs/dbraw/zinc/26/37/89/211263789.db2.gz TYGDITIDQDCJAF-SFHVURJKSA-N 2 0 396.528 1.094 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000095361058 211224159 /nfs/dbraw/zinc/22/41/59/211224159.db2.gz CRPBQIOHWPXFEP-QZTJIDSGSA-N 2 0 383.483 1.966 50 0 GDAARP Cn1cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000095387558 211233490 /nfs/dbraw/zinc/23/34/90/211233490.db2.gz KTIWNYUULUJHTK-TZIWHRDSSA-N 2 0 383.540 1.375 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000077203767 211129058 /nfs/dbraw/zinc/12/90/58/211129058.db2.gz DFFHSZADUPRZFQ-KRWDZBQOSA-N 2 0 375.517 1.974 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+]([C@@H]4CCSC4)CC3)OC2=O)CC1 ZINC000072432727 211118760 /nfs/dbraw/zinc/11/87/60/211118760.db2.gz RXYAAELYHTYMQD-QGZVFWFLSA-N 2 0 382.574 1.416 50 0 GDAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071589569 211048087 /nfs/dbraw/zinc/04/80/87/211048087.db2.gz PDXYFIJAWCBENM-INIZCTEOSA-N 2 0 390.532 1.270 50 0 GDAARP CC[NH+](CC)CCNCc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000020540711 210345447 /nfs/dbraw/zinc/34/54/47/210345447.db2.gz BCCFHRRNGQELDK-IBGZPJMESA-N 2 0 381.586 1.907 50 0 GDAARP COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011838672 221130451 /nfs/dbraw/zinc/13/04/51/221130451.db2.gz NRAHQGVILNQZPX-KRWDZBQOSA-N 2 0 398.569 1.592 50 0 GDAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012595710 570689334 /nfs/dbraw/zinc/68/93/34/570689334.db2.gz NSIKINZLRARXFT-IBGZPJMESA-N 2 0 378.513 1.924 50 0 GDAARP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC([NH+]3CCSCC3)CC2)n1 ZINC000252553248 570730079 /nfs/dbraw/zinc/73/00/79/570730079.db2.gz VIPPEOQLFDUIBJ-GASCZTMLSA-N 2 0 377.558 1.845 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCOC(C)C)c1 ZINC000015074899 210151415 /nfs/dbraw/zinc/15/14/15/210151415.db2.gz MMHZRTHNSRJSQT-IBGZPJMESA-N 2 0 396.528 1.406 50 0 GDAARP COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014976031 210139356 /nfs/dbraw/zinc/13/93/56/210139356.db2.gz KBSVRAOHJLNRGO-LJQANCHMSA-N 2 0 388.512 1.897 50 0 GDAARP O=C(CC[n+]1ccccc1)NCCCCCCNC(=O)CC[n+]1ccccc1 ZINC000004582465 209137495 /nfs/dbraw/zinc/13/74/95/209137495.db2.gz BAIQPPRIJQTHNV-UHFFFAOYSA-P 2 0 384.524 1.535 50 0 GDAARP C[NH+]1CCC(Oc2ccc(NC(=O)NC[C@@H]3COCC[N@H+](C)C3)cc2)CC1 ZINC000096130972 211304039 /nfs/dbraw/zinc/30/40/39/211304039.db2.gz WBYUEZDECVHNHP-INIZCTEOSA-N 2 0 376.501 1.859 50 0 GDAARP C[NH+](C)CCN1C[C@]2(CCC[N@H+](Cc3cccc(OCCO)c3)C2)CCC1=O ZINC000091425067 211192077 /nfs/dbraw/zinc/19/20/77/211192077.db2.gz QXWYQAJFPCTOPN-JOCHJYFZSA-N 2 0 389.540 1.824 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071751884 211056497 /nfs/dbraw/zinc/05/64/97/211056497.db2.gz YWYJZYAWSYWHNV-INIZCTEOSA-N 2 0 380.496 1.784 50 0 GDAARP CN(C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000248047264 570436114 /nfs/dbraw/zinc/43/61/14/570436114.db2.gz WRBCWBGTXBBKCX-PMACEKPBSA-N 2 0 386.540 1.792 50 0 GDAARP CCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CC[NH+](CC)CC4)n3n2)CC1 ZINC000065311639 534929715 /nfs/dbraw/zinc/92/97/15/534929715.db2.gz QEQADUKUYXAUOM-UHFFFAOYSA-N 2 0 386.548 1.102 50 0 GDAARP COc1ccc(C[NH2+]CC(N)=O)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015065578 210145513 /nfs/dbraw/zinc/14/55/13/210145513.db2.gz KIHZLZHRBWUJHL-KRWDZBQOSA-N 2 0 379.501 1.276 50 0 GDAARP CC(=O)NCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014972798 210136043 /nfs/dbraw/zinc/13/60/43/210136043.db2.gz GPFUSHMFCXWTOK-HXUWFJFHSA-N 2 0 377.529 1.917 50 0 GDAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014745753 210128054 /nfs/dbraw/zinc/12/80/54/210128054.db2.gz MPZOAPOZUWQDMH-UHFFFAOYSA-N 2 0 388.512 1.876 50 0 GDAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000096137359 211306403 /nfs/dbraw/zinc/30/64/03/211306403.db2.gz HQJNZSLKDIIZPZ-UHFFFAOYSA-N 2 0 384.528 1.648 50 0 GDAARP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776395 211063061 /nfs/dbraw/zinc/06/30/61/211063061.db2.gz YMPMAWMIBCAKHZ-HXUWFJFHSA-N 2 0 376.520 1.790 50 0 GDAARP CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071745556 211053076 /nfs/dbraw/zinc/05/30/76/211053076.db2.gz ZOSIXEOVPBUOPO-INIZCTEOSA-N 2 0 387.528 1.138 50 0 GDAARP NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065489048 136164034 /nfs/dbraw/zinc/16/40/34/136164034.db2.gz QFDBYJWNKFNYLA-UHFFFAOYSA-N 2 0 382.512 1.441 50 0 GDAARP O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000035422058 570553221 /nfs/dbraw/zinc/55/32/21/570553221.db2.gz XKUANZODTITFAX-UHFFFAOYSA-N 2 0 390.503 1.576 50 0 GDAARP CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCC[NH+](C)C)c(C)c32)CC1 ZINC000033048383 570699563 /nfs/dbraw/zinc/69/95/63/570699563.db2.gz PLIDKOHGCZJDSS-UHFFFAOYSA-N 2 0 390.557 1.823 50 0 GDAARP COc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1OCC[NH3+] ZINC000426604237 231246749 /nfs/dbraw/zinc/24/67/49/231246749.db2.gz FTVYOEALGQRUNU-UHFFFAOYSA-N 2 0 377.485 1.406 50 0 GDAARP C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC000095528711 211274588 /nfs/dbraw/zinc/27/45/88/211274588.db2.gz UVYDWNRWFLVZLQ-GOSISDBHSA-N 2 0 377.485 1.405 50 0 GDAARP CCn1nc(C)c(C[N@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)c1C ZINC000091380830 211190996 /nfs/dbraw/zinc/19/09/96/211190996.db2.gz RZMLGUGRCSXKQH-UXHICEINSA-N 2 0 377.577 1.588 50 0 GDAARP COc1cc(CNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000072469919 211123061 /nfs/dbraw/zinc/12/30/61/211123061.db2.gz YNPFILIHMFAAIS-OAHLLOKOSA-N 2 0 377.485 1.403 50 0 GDAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCOCC1 ZINC000071738634 211054231 /nfs/dbraw/zinc/05/42/31/211054231.db2.gz GPMVGMDTQWVGBK-LJQANCHMSA-N 2 0 389.544 1.308 50 0 GDAARP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750565 211055809 /nfs/dbraw/zinc/05/58/09/211055809.db2.gz PLAKTPFCKGKUEF-FQEVSTJZSA-N 2 0 387.572 1.778 50 0 GDAARP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000020206436 210321681 /nfs/dbraw/zinc/32/16/81/210321681.db2.gz ZQAWBVUYWLTGRV-IBGZPJMESA-N 2 0 386.540 1.567 50 0 GDAARP COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012317744 570642454 /nfs/dbraw/zinc/64/24/54/570642454.db2.gz RQHMYKFGSTTYEA-IBGZPJMESA-N 2 0 388.512 1.907 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCSC)c1 ZINC000012049958 209901966 /nfs/dbraw/zinc/90/19/66/209901966.db2.gz DIBJGOMUOUAEHT-QGZVFWFLSA-N 2 0 384.542 1.344 50 0 GDAARP C[NH+]1CCC(N2CCN(C(=O)c3cc(F)ccc3OCCC[NH3+])CC2)CC1 ZINC000299783128 212036615 /nfs/dbraw/zinc/03/66/15/212036615.db2.gz UDTPGGSBZRZYLE-UHFFFAOYSA-N 2 0 378.492 1.405 50 0 GDAARP O=C(N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096136284 211306102 /nfs/dbraw/zinc/30/61/02/211306102.db2.gz BGYWPPKOFPJRBB-UHFFFAOYSA-N 2 0 383.323 1.447 50 0 GDAARP COc1cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc(OC)c1 ZINC000091468656 211192190 /nfs/dbraw/zinc/19/21/90/211192190.db2.gz BHEXWVJPMMVOMN-RTBURBONSA-N 2 0 377.529 1.382 50 0 GDAARP O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072410871 211114331 /nfs/dbraw/zinc/11/43/31/211114331.db2.gz RKMZNTDCPPWRMH-UHFFFAOYSA-N 2 0 389.544 1.460 50 0 GDAARP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747624 211054416 /nfs/dbraw/zinc/05/44/16/211054416.db2.gz YVNAMWDHUCCWAE-FQEVSTJZSA-N 2 0 387.572 1.826 50 0 GDAARP O=C(CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000035422017 570553282 /nfs/dbraw/zinc/55/32/82/570553282.db2.gz HNLOHTKMBATOJV-UHFFFAOYSA-N 2 0 390.503 1.576 50 0 GDAARP COCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000012372961 570648095 /nfs/dbraw/zinc/64/80/95/570648095.db2.gz CBIBWOSQEKHZKX-GOSISDBHSA-N 2 0 377.529 1.944 50 0 GDAARP CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966632 570649886 /nfs/dbraw/zinc/64/98/86/570649886.db2.gz LKUNNLZRIMESCA-UHFFFAOYSA-N 2 0 396.482 1.571 50 0 GDAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCNC(C)=O ZINC000011709800 221123265 /nfs/dbraw/zinc/12/32/65/221123265.db2.gz NXESSXPCIBUFKJ-HXUWFJFHSA-N 2 0 396.576 1.184 50 0 GDAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3CCC3)c2)CC1 ZINC000011946607 221140903 /nfs/dbraw/zinc/14/09/03/221140903.db2.gz PIFVYUDPUPCPQR-IBGZPJMESA-N 2 0 376.497 1.953 50 0 GDAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012583853 221209719 /nfs/dbraw/zinc/20/97/19/221209719.db2.gz JNABFPZZICVLLQ-GOSISDBHSA-N 2 0 398.569 1.734 50 0 GDAARP O[C@H](C[NH2+]C1CCCCC1)CN1CCN(C[C@H](O)C[NH2+]C2CCCCC2)CC1 ZINC000020436810 221487946 /nfs/dbraw/zinc/48/79/46/221487946.db2.gz PLNXOLIDWMZROI-FGZHOGPDSA-N 2 0 396.620 1.170 50 0 GDAARP C[C@H](C1CCN(c2nc(CC[NH3+])nc3ccccc32)CC1)[NH+]1CCN(C)CC1 ZINC000065431866 136163860 /nfs/dbraw/zinc/16/38/60/136163860.db2.gz QQCKROGSVAKMHG-QGZVFWFLSA-N 2 0 382.556 1.983 50 0 GDAARP Cc1cc(N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095382835 136178704 /nfs/dbraw/zinc/17/87/04/136178704.db2.gz FFNQOBFXAIKBDP-MRXNPFEDSA-N 2 0 380.496 1.463 50 0 GDAARP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)nn2)C[NH2+]1 ZINC000067586999 222150566 /nfs/dbraw/zinc/15/05/66/222150566.db2.gz NDDBCGJJQAFMIK-MOPGFXCFSA-N 2 0 382.512 1.826 50 0 GDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072170413 222217238 /nfs/dbraw/zinc/21/72/38/222217238.db2.gz QRGINZAMBVTMAQ-QGZVFWFLSA-N 2 0 383.496 1.225 50 0 GDAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+]([C@@H]4CCSC4)CC3)OC2=O)CC1 ZINC000072436531 222261025 /nfs/dbraw/zinc/26/10/25/222261025.db2.gz ZEWQNBNNTQXZDA-GOSISDBHSA-N 2 0 396.601 1.806 50 0 GDAARP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072434846 222261716 /nfs/dbraw/zinc/26/17/16/222261716.db2.gz APFZIFIPVAQIJF-NRFANRHFSA-N 2 0 381.524 1.824 50 0 GDAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC(C)C)c1 ZINC000095518506 222343983 /nfs/dbraw/zinc/34/39/83/222343983.db2.gz UVQIUFMTSKWVDT-LJQANCHMSA-N 2 0 380.529 1.979 50 0 GDAARP NC(=O)C1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095518581 222344349 /nfs/dbraw/zinc/34/43/49/222344349.db2.gz RUIJNYCNTGJWQT-HXUWFJFHSA-N 2 0 389.540 2.000 50 0 GDAARP CC[NH+](CC)CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048208 570698811 /nfs/dbraw/zinc/69/88/11/570698811.db2.gz XRKWFFZKRFLISL-UHFFFAOYSA-N 2 0 390.557 1.823 50 0 GDAARP CCn1c(CN(C)CC2([NH+]3CCOCC3)CCCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252553230 570730122 /nfs/dbraw/zinc/73/01/22/570730122.db2.gz VIIFXPAHPSQPKK-IYARVYRRSA-N 2 0 390.576 1.970 50 0 GDAARP O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000012431182 221191353 /nfs/dbraw/zinc/19/13/53/221191353.db2.gz KVDRHLOHXIVFIZ-FQEVSTJZSA-N 2 0 390.572 1.844 50 0 GDAARP C[N@@H+]1CCCN(c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cn2)CC1 ZINC000058416282 222052184 /nfs/dbraw/zinc/05/21/84/222052184.db2.gz LNMYOUJYXUTQLF-UHFFFAOYSA-N 2 0 381.528 1.904 50 0 GDAARP C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071759138 222193951 /nfs/dbraw/zinc/19/39/51/222193951.db2.gz HPYHZSBEEUWHPX-INIZCTEOSA-N 2 0 385.512 1.844 50 0 GDAARP CNC(=O)C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095503390 222335620 /nfs/dbraw/zinc/33/56/20/222335620.db2.gz BYYLMKQFFSDPRU-FQEVSTJZSA-N 2 0 386.540 1.615 50 0 GDAARP C[NH2+]CC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095513357 222342388 /nfs/dbraw/zinc/34/23/88/222342388.db2.gz ZDTKFQVLKXDOAY-HXUWFJFHSA-N 2 0 386.540 1.615 50 0 GDAARP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082156674 222311285 /nfs/dbraw/zinc/31/12/85/222311285.db2.gz QUGRCJWDSLCCAQ-NRFANRHFSA-N 2 0 399.583 1.970 50 0 GDAARP O[C@H](COc1cccc(C[NH+]2CCC3(CCO3)CC2)c1)C[NH+]1CCC(O)CC1 ZINC000095528865 222352372 /nfs/dbraw/zinc/35/23/72/222352372.db2.gz ZTLVSHUFDQNQNA-FQEVSTJZSA-N 2 0 390.524 1.638 50 0 GDAARP OC[C@H]1C[N@@H+](C2CCOCC2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097553322 570246584 /nfs/dbraw/zinc/24/65/84/570246584.db2.gz SNWFUDQCAMQUEB-LJQANCHMSA-N 2 0 376.545 1.849 50 0 GDAARP O=C1C[C@@H](C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)CN1c1ccccc1 ZINC000299789732 570896144 /nfs/dbraw/zinc/89/61/44/570896144.db2.gz AJINPBXHJFWLPD-IBGZPJMESA-N 2 0 386.540 1.114 50 0 GDAARP CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC000091596123 571017398 /nfs/dbraw/zinc/01/73/98/571017398.db2.gz YXJCCKDTSYDPDU-LJQANCHMSA-N 2 0 379.508 1.820 50 0 GDAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011769530 221124458 /nfs/dbraw/zinc/12/44/58/221124458.db2.gz MEHOXFDCRMHURX-SFHVURJKSA-N 2 0 398.569 1.998 50 0 GDAARP C[N@H+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011937880 221138400 /nfs/dbraw/zinc/13/84/00/221138400.db2.gz MTXIXASYYKKCLW-NRFANRHFSA-N 2 0 385.508 1.910 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cccn1 ZINC000012030485 221143719 /nfs/dbraw/zinc/14/37/19/221143719.db2.gz CAOUOTKSFUNTGE-FQEVSTJZSA-N 2 0 391.560 1.554 50 0 GDAARP O[C@@H](COc1ccccc1C[NH2+]CC1CCOCC1)C[NH+]1CCSCC1 ZINC000012072352 221147140 /nfs/dbraw/zinc/14/71/40/221147140.db2.gz AKASKWSBBSEPAR-LJQANCHMSA-N 2 0 380.554 1.991 50 0 GDAARP CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000015864137 221349892 /nfs/dbraw/zinc/34/98/92/221349892.db2.gz SCNAJTUJHSSFIL-SFHVURJKSA-N 2 0 376.476 1.184 50 0 GDAARP CCc1cc(N2CCC([N@@H+]3C[C@H](O)[C@@H](OC(C)C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095502398 136179899 /nfs/dbraw/zinc/17/98/99/136179899.db2.gz WHDWXKNUJUUIDD-ROUUACIJSA-N 2 0 377.533 1.544 50 0 GDAARP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750564 222189438 /nfs/dbraw/zinc/18/94/38/222189438.db2.gz PLAKTPFCKGKUEF-HXUWFJFHSA-N 2 0 387.572 1.778 50 0 GDAARP COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CC3CC[NH2+]CC3)C2=O)c1 ZINC000067894716 222165034 /nfs/dbraw/zinc/16/50/34/222165034.db2.gz NSFHBXCQYJQIQX-FQEVSTJZSA-N 2 0 379.476 1.277 50 0 GDAARP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071712182 222187166 /nfs/dbraw/zinc/18/71/66/222187166.db2.gz KRJSIDYZWMMAJL-LJQANCHMSA-N 2 0 385.556 1.626 50 0 GDAARP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071721583 222188202 /nfs/dbraw/zinc/18/82/02/222188202.db2.gz ZNDXMRDFNJELOF-NRFANRHFSA-N 2 0 399.583 1.874 50 0 GDAARP O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072151503 222211923 /nfs/dbraw/zinc/21/19/23/222211923.db2.gz LLSXQGWUOCTOOG-GOSISDBHSA-N 2 0 375.488 1.722 50 0 GDAARP C[NH+]1CCC(N2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1 ZINC000104334644 570257478 /nfs/dbraw/zinc/25/74/78/570257478.db2.gz HFGCLNUPSJXXHJ-LJQANCHMSA-N 2 0 375.513 1.421 50 0 GDAARP COCCn1c(CN2CC[NH+](CC3CCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252572177 570730246 /nfs/dbraw/zinc/73/02/46/570730246.db2.gz YWUMHZKMXDYMQH-IYARVYRRSA-N 2 0 376.549 1.437 50 0 GDAARP C[N@H+](Cc1ccccc1)C1CCN(C(=O)NCC[NH+]2CCC[C@@H](CO)C2)CC1 ZINC000426477138 529998590 /nfs/dbraw/zinc/99/85/90/529998590.db2.gz ALRMOTYALVXULW-HXUWFJFHSA-N 2 0 388.556 1.997 50 0 GDAARP COCC[NH+]1CCC(C[N@H+](C[C@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1 ZINC000012314981 221180022 /nfs/dbraw/zinc/18/00/22/221180022.db2.gz XMVZJBRIUJBSKJ-OAQYLSRUSA-N 2 0 381.561 1.837 50 0 GDAARP C[NH+](C)[C@@H]1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067472627 222147239 /nfs/dbraw/zinc/14/72/39/222147239.db2.gz QLWWCGHPPAOOCZ-LJQANCHMSA-N 2 0 387.528 1.159 50 0 GDAARP C[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067934856 222168623 /nfs/dbraw/zinc/16/86/23/222168623.db2.gz LQIPKGZYEDBKEF-GOSISDBHSA-N 2 0 387.528 1.525 50 0 GDAARP Cc1cc[nH+]c(NCCNC(=O)C[C@H]2C(=O)NCC[N@H+]2CC2CCCCC2)c1 ZINC000072152615 222213560 /nfs/dbraw/zinc/21/35/60/222213560.db2.gz QYTZVXOYJNLJLX-SFHVURJKSA-N 2 0 387.528 1.689 50 0 GDAARP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000072468633 222262382 /nfs/dbraw/zinc/26/23/82/222262382.db2.gz GEMVIALNJLCTLH-SFTDATJTSA-N 2 0 379.508 1.794 50 0 GDAARP CCCc1noc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000096164716 222394481 /nfs/dbraw/zinc/39/44/81/222394481.db2.gz PMUVGRIEQYWONJ-DYESRHJHSA-N 2 0 383.496 1.702 50 0 GDAARP C[NH+](C)CCOC(=O)/C=C(\Oc1ccc(Cl)cc1)C(=O)OCC[NH+](C)C ZINC000004128428 570358857 /nfs/dbraw/zinc/35/88/57/570358857.db2.gz LOZLYWCASVCDPD-SSZFMOIBSA-N 2 0 384.860 1.812 50 0 GDAARP O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000035422059 570553209 /nfs/dbraw/zinc/55/32/09/570553209.db2.gz PHJWYBIRKRAOBG-UHFFFAOYSA-N 2 0 390.503 1.576 50 0 GDAARP COc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000033032746 570670123 /nfs/dbraw/zinc/67/01/23/570670123.db2.gz VWVBMNLQZIUHDP-UHFFFAOYSA-N 2 0 388.512 1.055 50 0 GDAARP CCCC[N@@H+]1CCn2nc(CNC(=O)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000299789461 570895940 /nfs/dbraw/zinc/89/59/40/570895940.db2.gz VOUSVKLAQNBOBU-CALCHBBNSA-N 2 0 377.533 1.614 50 0 GDAARP Cc1cc(C)cc(N2CCC([NH+]3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)CC2)c1 ZINC000091380783 136176245 /nfs/dbraw/zinc/17/62/45/136176245.db2.gz DXHPMOAVGCMNFA-WOJBJXKFSA-N 2 0 375.557 1.737 50 0 GDAARP O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072123876 222209341 /nfs/dbraw/zinc/20/93/41/222209341.db2.gz SDTNLLCDFYSORU-IBGZPJMESA-N 2 0 392.494 1.777 50 0 GDAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095506966 222337505 /nfs/dbraw/zinc/33/75/05/222337505.db2.gz XUAWZUIOXICIAL-IBGZPJMESA-N 2 0 396.503 1.826 50 0 GDAARP C[N@H+](CCC(N)=O)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095516550 222344592 /nfs/dbraw/zinc/34/45/92/222344592.db2.gz VKWZDPDBLISQCR-OAQYLSRUSA-N 2 0 397.519 1.792 50 0 GDAARP C[N@H+](CCC(N)=O)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095516551 222344666 /nfs/dbraw/zinc/34/46/66/222344666.db2.gz VKWZDPDBLISQCR-NRFANRHFSA-N 2 0 397.519 1.792 50 0 GDAARP O=C(NCCC[NH+]1CCC(O)CC1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426514642 231232837 /nfs/dbraw/zinc/23/28/37/231232837.db2.gz LETAKZQSNWCVID-UHFFFAOYSA-N 2 0 386.540 1.328 50 0 GDAARP Cc1c[nH+]ccc1N1CCCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426685481 231253517 /nfs/dbraw/zinc/25/35/17/231253517.db2.gz YFAVJDAFZYCWGH-GOSISDBHSA-N 2 0 382.512 1.792 50 0 GDAARP O=C(c1nc2ccccn2c1C[NH2+]CC1CC[NH+](CCO)CC1)N1CCCC1 ZINC000019111409 221396598 /nfs/dbraw/zinc/39/65/98/221396598.db2.gz UUASYMWVKHOIRT-UHFFFAOYSA-N 2 0 385.512 1.364 50 0 GDAARP O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072123877 222208391 /nfs/dbraw/zinc/20/83/91/222208391.db2.gz SDTNLLCDFYSORU-LJQANCHMSA-N 2 0 392.494 1.777 50 0 GDAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1nc[nH]n1 ZINC000095521672 222346894 /nfs/dbraw/zinc/34/68/94/222346894.db2.gz QTPXRXOAYAOMCO-INIZCTEOSA-N 2 0 388.491 1.860 50 0 GDAARP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019741651 570212571 /nfs/dbraw/zinc/21/25/71/570212571.db2.gz XMZYFCNQJAIIOX-LJQANCHMSA-N 2 0 379.545 1.914 50 0 GDAARP O[C@@H]1C[N@H+](CCCn2cccn2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000020363139 570253046 /nfs/dbraw/zinc/25/30/46/570253046.db2.gz CZNPBLPMFRKNAL-DHIUTWEWSA-N 2 0 397.567 1.569 50 0 GDAARP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019534936 570999899 /nfs/dbraw/zinc/99/98/99/570999899.db2.gz GFDLEUSEOVTFCN-IBGZPJMESA-N 2 0 379.545 1.770 50 0 GDAARP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000084610242 571026971 /nfs/dbraw/zinc/02/69/71/571026971.db2.gz KJHKPPIMRRBXGB-PZJWPPBQSA-N 2 0 397.567 1.784 50 0 GDAARP CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1 ZINC000014542158 221312129 /nfs/dbraw/zinc/31/21/29/221312129.db2.gz GVQJQZIGUKIESB-FHWLQOOXSA-N 2 0 386.540 1.671 50 0 GDAARP COc1ccc(C[NH2+]CC(N)=O)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015065579 221329712 /nfs/dbraw/zinc/32/97/12/221329712.db2.gz KIHZLZHRBWUJHL-QGZVFWFLSA-N 2 0 379.501 1.276 50 0 GDAARP Cc1cc(N2CCC([NH2+][C@@H]3C=CS(=O)(=O)C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095507950 136180554 /nfs/dbraw/zinc/18/05/54/136180554.db2.gz RFBOXPBUCGZTNI-MRXNPFEDSA-N 2 0 377.514 1.254 50 0 GDAARP O=C([C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC[NH2+]CC1 ZINC000071748205 222190332 /nfs/dbraw/zinc/19/03/32/222190332.db2.gz RRZGFTSEKXWXCO-QGZVFWFLSA-N 2 0 397.523 1.940 50 0 GDAARP CCOc1ccc(CN(CCOC)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc1 ZINC000072142091 222210546 /nfs/dbraw/zinc/21/05/46/222210546.db2.gz IZJAHIACUXJLLN-IBGZPJMESA-N 2 0 375.513 1.792 50 0 GDAARP CCn1nc(C)c(CN(CCOC)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1C ZINC000072169613 222215277 /nfs/dbraw/zinc/21/52/77/222215277.db2.gz WBIGKMZBTHFTIH-SFHVURJKSA-N 2 0 377.533 1.227 50 0 GDAARP CC(C)C[N@@H+]1C[C@@H](CN2CC[NH+](C)CC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000023353968 570356448 /nfs/dbraw/zinc/35/64/48/570356448.db2.gz YSVJCSFRFXGPFP-VAMGGRTRSA-N 2 0 380.577 1.123 50 0 GDAARP Cc1cc2c(cc1C[N@@H+]1C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C1)OCCO2 ZINC000095382839 571068730 /nfs/dbraw/zinc/06/87/30/571068730.db2.gz CTLHPHFELGBGEP-RTBURBONSA-N 2 0 375.513 1.054 50 0 GDAARP Cn1cc(C[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)cn1 ZINC000011998044 221142300 /nfs/dbraw/zinc/14/23/00/221142300.db2.gz CTMQYVRCDSKEEQ-GOSISDBHSA-N 2 0 376.526 1.498 50 0 GDAARP Cc1cc(N2CCC([NH2+][C@H]3C=CS(=O)(=O)C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095507949 136180396 /nfs/dbraw/zinc/18/03/96/136180396.db2.gz RFBOXPBUCGZTNI-INIZCTEOSA-N 2 0 377.514 1.254 50 0 GDAARP [NH3+]C1(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CCC1 ZINC000071751901 222192769 /nfs/dbraw/zinc/19/27/69/222192769.db2.gz WWVSYKZKXKGCOJ-KRWDZBQOSA-N 2 0 399.539 1.282 50 0 GDAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C4CC[NH2+]CC4)CC3)OC2=O)C1 ZINC000072440421 222261302 /nfs/dbraw/zinc/26/13/02/222261302.db2.gz HMCKYSMBEHAURD-LJQANCHMSA-N 3 0 393.576 1.051 50 0 GDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCNC(=O)c1ccccc1Cl)CC[NH2+]CC2 ZINC000072462622 222263853 /nfs/dbraw/zinc/26/38/53/222263853.db2.gz LWYMPDQBBLHXOR-MRXNPFEDSA-N 2 0 378.904 1.260 50 0 GDAARP COCC[NH+]1CCC(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)CC1 ZINC000082107362 222308231 /nfs/dbraw/zinc/30/82/31/222308231.db2.gz JCZWUUHGOXOAQO-UHFFFAOYSA-N 2 0 377.533 1.329 50 0 GDAARP C[NH+](C)CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082108204 222308727 /nfs/dbraw/zinc/30/87/27/222308727.db2.gz RNIFYEXDHJSFQV-GOSISDBHSA-N 2 0 378.561 1.654 50 0 GDAARP CC(=O)N1CCC[N@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095529606 222352484 /nfs/dbraw/zinc/35/24/84/222352484.db2.gz RWCUTUPNNNXJHO-OAQYLSRUSA-N 2 0 389.540 1.966 50 0 GDAARP CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000096879114 570232932 /nfs/dbraw/zinc/23/29/32/570232932.db2.gz LYZOPCVCCBBGCW-FQEVSTJZSA-N 2 0 382.512 1.422 50 0 GDAARP C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000045966920 570649945 /nfs/dbraw/zinc/64/99/45/570649945.db2.gz AHMWAOBSCQXFGE-IBGZPJMESA-N 2 0 386.540 1.825 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2CO)CC1 ZINC000091434248 571007598 /nfs/dbraw/zinc/00/75/98/571007598.db2.gz XDJPQDQRIXQQPX-FGZHOGPDSA-N 2 0 395.551 1.821 50 0 GDAARP Cc1[nH+]c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c2ccccn12 ZINC000091575270 571015583 /nfs/dbraw/zinc/01/55/83/571015583.db2.gz YIPLKILKNZWKLA-CTNGQTDRSA-N 2 0 385.556 1.853 50 0 GDAARP Cc1c[nH+]ccc1N1CCCN(C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000426685482 231253134 /nfs/dbraw/zinc/25/31/34/231253134.db2.gz YFAVJDAFZYCWGH-SFHVURJKSA-N 2 0 382.512 1.792 50 0 GDAARP O[C@H](COc1ccccc1C[NH2+]CC1CCOCC1)C[NH+]1CCSCC1 ZINC000012072353 221147101 /nfs/dbraw/zinc/14/71/01/221147101.db2.gz AKASKWSBBSEPAR-IBGZPJMESA-N 2 0 380.554 1.991 50 0 GDAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012583842 221209969 /nfs/dbraw/zinc/20/99/69/221209969.db2.gz JNABFPZZICVLLQ-SFHVURJKSA-N 2 0 398.569 1.734 50 0 GDAARP CNc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cc(C)[nH+]1 ZINC000071755417 136166254 /nfs/dbraw/zinc/16/62/54/136166254.db2.gz YPTRMQLVYWKGDE-MRXNPFEDSA-N 2 0 390.532 1.270 50 0 GDAARP [NH3+]C1(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000071439521 222186233 /nfs/dbraw/zinc/18/62/33/222186233.db2.gz GGNKRMRJJXKTFF-IBGZPJMESA-N 2 0 398.551 1.540 50 0 GDAARP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071707872 222187258 /nfs/dbraw/zinc/18/72/58/222187258.db2.gz JVSGMXRMWGINDR-HXUWFJFHSA-N 2 0 385.556 1.580 50 0 GDAARP CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]1 ZINC000072128810 222209161 /nfs/dbraw/zinc/20/91/61/222209161.db2.gz XLMVYGZBKFZFRT-OALUTQOASA-N 2 0 396.539 1.591 50 0 GDAARP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072151707 222212669 /nfs/dbraw/zinc/21/26/69/222212669.db2.gz KCULEMRXXURNCJ-IBGZPJMESA-N 2 0 375.513 1.939 50 0 GDAARP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020203376 570247330 /nfs/dbraw/zinc/24/73/30/570247330.db2.gz KQGSPFPGHNRPSI-LJQANCHMSA-N 2 0 399.535 1.619 50 0 GDAARP C[N@@H+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000108261312 570312133 /nfs/dbraw/zinc/31/21/33/570312133.db2.gz WWPBCIMLLVKFDL-FQEVSTJZSA-N 2 0 391.556 1.409 50 0 GDAARP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000084610248 571027108 /nfs/dbraw/zinc/02/71/08/571027108.db2.gz KJHKPPIMRRBXGB-CTNGQTDRSA-N 2 0 397.567 1.784 50 0 GDAARP COCc1cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)ccc1OC ZINC000095356144 571052479 /nfs/dbraw/zinc/05/24/79/571052479.db2.gz MLWHDXSIPYZOEQ-WOJBJXKFSA-N 2 0 377.529 1.129 50 0 GDAARP C[N@H+](CCO)C[C@@H]1C[NH+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091416878 136176252 /nfs/dbraw/zinc/17/62/52/136176252.db2.gz RXEPGNNIILSHFY-IAGOWNOFSA-N 2 0 381.948 1.773 50 0 GDAARP CN(C)c1nc(C2CC([NH3+])C2)cc(N2CC[NH+](C3CCSCC3)CC2)n1 ZINC000223225045 136205695 /nfs/dbraw/zinc/20/56/95/136205695.db2.gz OVVTUCMUUWVMAW-UHFFFAOYSA-N 2 0 376.574 1.765 50 0 GDAARP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479527 222185503 /nfs/dbraw/zinc/18/55/03/222185503.db2.gz FWYVUTVRCAEHDQ-LJQANCHMSA-N 2 0 385.556 1.626 50 0 GDAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071755232 222192243 /nfs/dbraw/zinc/19/22/43/222192243.db2.gz WRQIEGMCUYPMEY-IBGZPJMESA-N 2 0 386.540 1.268 50 0 GDAARP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775821 222197579 /nfs/dbraw/zinc/19/75/79/222197579.db2.gz RATDREQBQAAOLM-NRFANRHFSA-N 2 0 399.583 1.970 50 0 GDAARP O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072151502 222213011 /nfs/dbraw/zinc/21/30/11/222213011.db2.gz LLSXQGWUOCTOOG-SFHVURJKSA-N 2 0 375.488 1.722 50 0 GDAARP CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072436202 222260406 /nfs/dbraw/zinc/26/04/06/222260406.db2.gz KOUAIACEWLHKFG-LJQANCHMSA-N 2 0 394.560 1.478 50 0 GDAARP O[C@@H](COc1cccc(C[NH+]2CC(c3ccccn3)C2)c1)C[NH+]1CCC(O)CC1 ZINC000095499974 222334036 /nfs/dbraw/zinc/33/40/36/222334036.db2.gz COVRBTLDGLKASC-OAQYLSRUSA-N 2 0 397.519 1.877 50 0 GDAARP CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077425583 222281762 /nfs/dbraw/zinc/28/17/62/222281762.db2.gz BZOZPKFWMHCKLW-KRWDZBQOSA-N 2 0 380.533 1.530 50 0 GDAARP COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000020602122 570270265 /nfs/dbraw/zinc/27/02/65/570270265.db2.gz DYBWVYPWHIRIEB-QGZVFWFLSA-N 2 0 382.549 1.728 50 0 GDAARP [NH3+][C@H]1CC[C@@H](Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000244602035 570436033 /nfs/dbraw/zinc/43/60/33/570436033.db2.gz DWMXYLZQUUTBSS-HDICACEKSA-N 2 0 387.528 1.700 50 0 GDAARP O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000035422008 570553287 /nfs/dbraw/zinc/55/32/87/570553287.db2.gz ZRZSQCGKJLWUDK-UHFFFAOYSA-N 2 0 386.540 1.827 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091475553 571010346 /nfs/dbraw/zinc/01/03/46/571010346.db2.gz NGPYDMLPFLUFFA-RTBURBONSA-N 2 0 375.513 1.136 50 0 GDAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC ZINC000011842647 212078516 /nfs/dbraw/zinc/07/85/16/212078516.db2.gz ZOFKLXLGVFWAGV-GOSISDBHSA-N 2 0 376.501 1.800 50 0 GDAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2cnccn2)cc1OC ZINC000014956854 221320050 /nfs/dbraw/zinc/32/00/50/221320050.db2.gz JCXOTPUHYVBXAR-LJQANCHMSA-N 2 0 388.512 1.899 50 0 GDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCN(c3ncccc3Cl)CC1)CC[NH2+]CC2 ZINC000072428306 136170080 /nfs/dbraw/zinc/17/00/80/136170080.db2.gz ONERTXFGUZOECI-MRXNPFEDSA-N 2 0 377.920 1.458 50 0 GDAARP CC(C)[NH+]1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)CC1 ZINC000065373812 222126857 /nfs/dbraw/zinc/12/68/57/222126857.db2.gz LQRLVQKQHYIQMX-UHFFFAOYSA-N 2 0 389.525 1.046 50 0 GDAARP CC[NH+]1CCN(CCN2CC3(CC[NH+]([C@H]4CCCOC4)CC3)OC2=O)CC1 ZINC000072424111 222259856 /nfs/dbraw/zinc/25/98/56/222259856.db2.gz KZGYQACMMLYSEA-SFHVURJKSA-N 2 0 380.533 1.090 50 0 GDAARP CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+]([C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072436204 222260208 /nfs/dbraw/zinc/26/02/08/222260208.db2.gz KOUAIACEWLHKFG-IBGZPJMESA-N 2 0 394.560 1.478 50 0 GDAARP CNC(=O)C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095503389 222335277 /nfs/dbraw/zinc/33/52/77/222335277.db2.gz BYYLMKQFFSDPRU-HXUWFJFHSA-N 2 0 386.540 1.615 50 0 GDAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095516845 222343636 /nfs/dbraw/zinc/34/36/36/222343636.db2.gz ACYZMUZJSDLOIV-IBGZPJMESA-N 2 0 394.512 1.114 50 0 GDAARP O=c1cc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2o1 ZINC000575413739 570302432 /nfs/dbraw/zinc/30/24/32/570302432.db2.gz HDFXZSUSIQFOSA-QGZVFWFLSA-N 2 0 381.432 1.750 50 0 GDAARP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c(OC)c1 ZINC000091663947 571024314 /nfs/dbraw/zinc/02/43/14/571024314.db2.gz XTDKZBGCXQLTHM-RTBURBONSA-N 2 0 377.529 1.382 50 0 GDAARP O=C1CCCN1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012049854 221144548 /nfs/dbraw/zinc/14/45/48/221144548.db2.gz YUNXHIGBYWZALX-GOSISDBHSA-N 2 0 393.553 1.187 50 0 GDAARP COCC[NH+]1CCC(C[N@H+](C[C@@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1 ZINC000012314980 221179602 /nfs/dbraw/zinc/17/96/02/221179602.db2.gz XMVZJBRIUJBSKJ-NRFANRHFSA-N 2 0 381.561 1.837 50 0 GDAARP C[N@@H+]1CC[C@@H](CNc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067743135 222157636 /nfs/dbraw/zinc/15/76/36/222157636.db2.gz KLCJSKRDCXVFSP-KRWDZBQOSA-N 2 0 387.528 1.382 50 0 GDAARP COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(CC[NH3+])c1)CC2 ZINC000095527648 222350347 /nfs/dbraw/zinc/35/03/47/222350347.db2.gz FITARNAVWLGTKM-UHFFFAOYSA-N 2 0 397.523 1.433 50 0 GDAARP CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000035421568 570552807 /nfs/dbraw/zinc/55/28/07/570552807.db2.gz OUJYYNWGHRTSTF-UHFFFAOYSA-N 2 0 394.947 1.946 50 0 GDAARP Cn1ncc2c1nc(N1CC[NH+](C3CCCCC3)CC1)nc2N1CC[NH+](C)CC1 ZINC000033266218 570884112 /nfs/dbraw/zinc/88/41/12/570884112.db2.gz GKSGASFEKPUBLC-UHFFFAOYSA-N 2 0 398.559 1.570 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCOC(C)C)c2)CC1 ZINC000019226983 570963842 /nfs/dbraw/zinc/96/38/42/570963842.db2.gz RJEWYEFUFNNPMS-HXUWFJFHSA-N 2 0 379.545 1.578 50 0 GDAARP COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)cn2)c1 ZINC000072150379 230950812 /nfs/dbraw/zinc/95/08/12/230950812.db2.gz VOHMMHHOWJVSCV-LJQANCHMSA-N 2 0 383.496 1.571 50 0 GDAARP COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](C)CC3)cc1 ZINC000014749831 221315987 /nfs/dbraw/zinc/31/59/87/221315987.db2.gz RNKOSYGEWAIEDJ-UHFFFAOYSA-N 2 0 388.512 1.528 50 0 GDAARP CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1 ZINC000020035103 221467904 /nfs/dbraw/zinc/46/79/04/221467904.db2.gz QTRMYKXDVSJZQH-IBGZPJMESA-N 2 0 388.512 1.334 50 0 GDAARP CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071405705 222184255 /nfs/dbraw/zinc/18/42/55/222184255.db2.gz VXXRPNQHWVYFNI-LJQANCHMSA-N 2 0 398.551 1.192 50 0 GDAARP [NH3+]CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071707764 222188012 /nfs/dbraw/zinc/18/80/12/222188012.db2.gz BGKZEVOCTXYINY-HXUWFJFHSA-N 3 0 384.568 1.795 50 0 GDAARP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767675 222196512 /nfs/dbraw/zinc/19/65/12/222196512.db2.gz OMICTWWDSOBERS-HXUWFJFHSA-N 2 0 387.572 1.826 50 0 GDAARP CC1CC[NH+](Cc2ccc(C(=O)N3CCO[C@@]4(C3)C[NH2+]CCOC4)o2)CC1 ZINC000072130902 222208868 /nfs/dbraw/zinc/20/88/68/222208868.db2.gz ZJGFKBWCEATXRP-HXUWFJFHSA-N 2 0 377.485 1.343 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072410062 222255292 /nfs/dbraw/zinc/25/52/92/222255292.db2.gz UTIOFBLPELIBID-GOSISDBHSA-N 2 0 380.533 1.088 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](C[C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072422008 222257107 /nfs/dbraw/zinc/25/71/07/222257107.db2.gz DPRJUHKNBCQJKZ-LJQANCHMSA-N 2 0 394.560 1.336 50 0 GDAARP O[C@H](COc1cccc(C[NH+]2CC(c3ccccn3)C2)c1)C[NH+]1CCC(O)CC1 ZINC000095499975 222334391 /nfs/dbraw/zinc/33/43/91/222334391.db2.gz COVRBTLDGLKASC-NRFANRHFSA-N 2 0 397.519 1.877 50 0 GDAARP CNC(=O)CC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095517698 222343923 /nfs/dbraw/zinc/34/39/23/222343923.db2.gz QCKKCOUZFGSLLA-IBGZPJMESA-N 2 0 377.529 1.870 50 0 GDAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095528264 222350554 /nfs/dbraw/zinc/35/05/54/222350554.db2.gz IMPKXQOSMNHTEJ-SFHVURJKSA-N 2 0 396.553 1.706 50 0 GDAARP COc1ccc(C[NH2+]Cc2ccccc2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019837146 570224137 /nfs/dbraw/zinc/22/41/37/570224137.db2.gz BDLLXYLFDNFSSC-OAQYLSRUSA-N 2 0 399.535 1.972 50 0 GDAARP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@H+](Cc3ccccn3)CC2)n1 ZINC000244899425 570698342 /nfs/dbraw/zinc/69/83/42/570698342.db2.gz ZJSGWAXGAPKPAA-CALCHBBNSA-N 2 0 382.512 1.935 50 0 GDAARP COc1ccc(S(=O)(=O)N2CCC([N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000097165828 570901559 /nfs/dbraw/zinc/90/15/59/570901559.db2.gz JKXBXHSPRKPFRZ-KYNGSXCRSA-N 2 0 379.526 1.517 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000091678427 571025635 /nfs/dbraw/zinc/02/56/35/571025635.db2.gz WOOBRFYRZIBAIG-QZTJIDSGSA-N 2 0 383.483 1.966 50 0 GDAARP CC[NH+](CC)CC(=O)N(C[C@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934889 221138510 /nfs/dbraw/zinc/13/85/10/221138510.db2.gz NKKBOEUNWHPOKL-OAQYLSRUSA-N 3 0 396.620 2.000 50 0 GDAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012595716 221213412 /nfs/dbraw/zinc/21/34/12/221213412.db2.gz NSIKINZLRARXFT-LJQANCHMSA-N 2 0 378.513 1.924 50 0 GDAARP [NH3+]C[C@@H]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067783838 136164998 /nfs/dbraw/zinc/16/49/98/136164998.db2.gz QJDAXCBUWXFODN-KRWDZBQOSA-N 2 0 387.528 1.194 50 0 GDAARP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000071753714 222190744 /nfs/dbraw/zinc/19/07/44/222190744.db2.gz RBZXRVXCPGUHAR-MRXNPFEDSA-N 2 0 386.544 1.810 50 0 GDAARP O=C(c1ccc(NCC[NH+]2CCCC2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067947244 222169528 /nfs/dbraw/zinc/16/95/28/222169528.db2.gz BXRHGFYZMBZNGH-UHFFFAOYSA-N 2 0 387.528 1.526 50 0 GDAARP Cc1ccc([C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072166004 222214364 /nfs/dbraw/zinc/21/43/64/222214364.db2.gz KIFVBPDIADODGO-DFQSSKMNSA-N 2 0 380.496 1.248 50 0 GDAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454596 222262922 /nfs/dbraw/zinc/26/29/22/222262922.db2.gz OBHGDILKQAFTIL-IBGZPJMESA-N 2 0 394.560 1.478 50 0 GDAARP COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095516766 222343740 /nfs/dbraw/zinc/34/37/40/222343740.db2.gz UGOCPPXWPHBKQC-LJQANCHMSA-N 2 0 378.513 1.735 50 0 GDAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH+]2CCC(F)CC2)c1 ZINC000095517569 222344108 /nfs/dbraw/zinc/34/41/08/222344108.db2.gz LZSMWMLMCVABNZ-IBGZPJMESA-N 2 0 396.503 1.826 50 0 GDAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1nc[nH]n1 ZINC000095521671 222346112 /nfs/dbraw/zinc/34/61/12/222346112.db2.gz QTPXRXOAYAOMCO-MRXNPFEDSA-N 2 0 388.491 1.860 50 0 GDAARP COc1ccc(S(=O)(=O)N2CCC([N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000221910718 570403384 /nfs/dbraw/zinc/40/33/84/570403384.db2.gz JKXBXHSPRKPFRZ-GDIGMMSISA-N 2 0 379.526 1.517 50 0 GDAARP CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1 ZINC000035421563 570552753 /nfs/dbraw/zinc/55/27/53/570552753.db2.gz IWSIQYWRMRJQKF-UHFFFAOYSA-N 2 0 388.556 1.909 50 0 GDAARP CC[NH+](CC)CCNC(=O)CC[C@H]1C[N@H+](CC(C)C)CC[C@H]1N1CCOCC1 ZINC000299779523 570895212 /nfs/dbraw/zinc/89/52/12/570895212.db2.gz GAKVXTAIBMZHPL-LEWJYISDSA-N 2 0 396.620 1.903 50 0 GDAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 ZINC000091270511 571002343 /nfs/dbraw/zinc/00/23/43/571002343.db2.gz SWLIWXPRYICFJW-IAGOWNOFSA-N 2 0 375.542 1.369 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091636632 571020773 /nfs/dbraw/zinc/02/07/73/571020773.db2.gz XNCWEXKWWRKEIJ-RTBURBONSA-N 2 0 375.513 1.136 50 0 GDAARP O=C(NCCC[N@H+]1CCC[C@@H](O)C1)N1CCC[NH+](Cc2cccs2)CC1 ZINC000426522915 231235592 /nfs/dbraw/zinc/23/55/92/231235592.db2.gz NOLOZMCWJGOFOV-QGZVFWFLSA-N 2 0 380.558 1.812 50 0 GDAARP COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011839804 221131065 /nfs/dbraw/zinc/13/10/65/221131065.db2.gz GLINAASDEPVORN-SFHVURJKSA-N 2 0 379.501 1.147 50 0 GDAARP O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000012744306 221223785 /nfs/dbraw/zinc/22/37/85/221223785.db2.gz QXHQYTORRFLHQR-FQEVSTJZSA-N 2 0 390.572 1.987 50 0 GDAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2cnccn2)cc1OC ZINC000014956858 221320895 /nfs/dbraw/zinc/32/08/95/221320895.db2.gz JCXOTPUHYVBXAR-IBGZPJMESA-N 2 0 388.512 1.899 50 0 GDAARP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nn2)C[NH2+]1 ZINC000067817680 222161734 /nfs/dbraw/zinc/16/17/34/222161734.db2.gz AZIJYYULYQBLQG-OHQAAIJDSA-N 2 0 398.511 1.203 50 0 GDAARP NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071756930 222194786 /nfs/dbraw/zinc/19/47/86/222194786.db2.gz PATMMYLUHJHWSP-LJQANCHMSA-N 2 0 398.551 1.322 50 0 GDAARP CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071767863 222195893 /nfs/dbraw/zinc/19/58/93/222195893.db2.gz RFJPXNCRIVHCCX-QGZVFWFLSA-N 2 0 387.528 1.138 50 0 GDAARP CCOc1ccc(CN(CCOC)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc1 ZINC000072142092 222210211 /nfs/dbraw/zinc/21/02/11/222210211.db2.gz IZJAHIACUXJLLN-LJQANCHMSA-N 2 0 375.513 1.792 50 0 GDAARP COC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020203379 570247738 /nfs/dbraw/zinc/24/77/38/570247738.db2.gz KQGSPFPGHNRPSI-IBGZPJMESA-N 2 0 399.535 1.619 50 0 GDAARP Cn1cc(CC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)cn1 ZINC000020451674 570257239 /nfs/dbraw/zinc/25/72/39/570257239.db2.gz FCOSMXADVILCBL-LJQANCHMSA-N 2 0 390.553 1.541 50 0 GDAARP CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000045966802 570649844 /nfs/dbraw/zinc/64/98/44/570649844.db2.gz MMWGBECYXGNTPO-HXUWFJFHSA-N 2 0 386.540 1.743 50 0 GDAARP C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@H+](C)C1CC1 ZINC000089900550 570918721 /nfs/dbraw/zinc/91/87/21/570918721.db2.gz UTCJPKBEZMAVRT-ZDUSSCGKSA-N 2 0 396.919 1.818 50 0 GDAARP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426388404 231212256 /nfs/dbraw/zinc/21/22/56/231212256.db2.gz LUONYILOBYSZTC-MRXNPFEDSA-N 2 0 377.558 1.390 50 0 GDAARP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)C1 ZINC000426641293 231248632 /nfs/dbraw/zinc/24/86/32/231248632.db2.gz AHJXAVBSNPKEIM-KRWDZBQOSA-N 2 0 381.480 1.478 50 0 GDAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1nonc1C ZINC000012315183 221178915 /nfs/dbraw/zinc/17/89/15/221178915.db2.gz XQJFAJODEOGKNQ-GOSISDBHSA-N 2 0 393.532 1.663 50 0 GDAARP COc1cc(C[NH2+]C(C)(C)CO)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012592411 221211898 /nfs/dbraw/zinc/21/18/98/221211898.db2.gz GMNXJWQDTRMHRT-MRXNPFEDSA-N 2 0 384.542 1.344 50 0 GDAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000015062828 221327734 /nfs/dbraw/zinc/32/77/34/221327734.db2.gz UQKSLEWYZMAEAR-IBGZPJMESA-N 2 0 396.528 1.406 50 0 GDAARP C[C@@H](C1CCN(c2nc(CC[NH3+])nc3ccccc32)CC1)[NH+]1CCN(C)CC1 ZINC000065431860 136163925 /nfs/dbraw/zinc/16/39/25/136163925.db2.gz QQCKROGSVAKMHG-KRWDZBQOSA-N 2 0 382.556 1.983 50 0 GDAARP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCN(c3ncccc3Cl)CC1)CC[NH2+]CC2 ZINC000072428307 136170075 /nfs/dbraw/zinc/17/00/75/136170075.db2.gz ONERTXFGUZOECI-INIZCTEOSA-N 2 0 377.920 1.458 50 0 GDAARP O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CC[NH+]1CCCC1 ZINC000067434428 222146010 /nfs/dbraw/zinc/14/60/10/222146010.db2.gz UOUNDOMRZWLVJL-NRFANRHFSA-N 2 0 388.487 1.754 50 0 GDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067514800 222148481 /nfs/dbraw/zinc/14/84/81/222148481.db2.gz ZJZMNSMUIFJDCN-UHFFFAOYSA-N 2 0 387.528 1.160 50 0 GDAARP [NH3+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071551641 222185280 /nfs/dbraw/zinc/18/52/80/222185280.db2.gz ZELJQDKVJKGZPX-NRFANRHFSA-N 2 0 399.583 1.955 50 0 GDAARP O=C(NCCCO)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759459 222194061 /nfs/dbraw/zinc/19/40/61/222194061.db2.gz RYBZKDHKUAIISI-HXUWFJFHSA-N 2 0 385.552 1.829 50 0 GDAARP C[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000071764349 222196633 /nfs/dbraw/zinc/19/66/33/222196633.db2.gz ODMQKKQFPHZOLM-QGZVFWFLSA-N 2 0 386.540 1.396 50 0 GDAARP [NH3+]CCCC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072157134 222213347 /nfs/dbraw/zinc/21/33/47/222213347.db2.gz QDWOWDWFQXANCX-GOSISDBHSA-N 2 0 388.512 1.263 50 0 GDAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)CC1 ZINC000072421722 222258185 /nfs/dbraw/zinc/25/81/85/222258185.db2.gz JFSJTMQKISSVQR-UHFFFAOYSA-N 2 0 394.560 1.478 50 0 GDAARP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000095525632 222350752 /nfs/dbraw/zinc/35/07/52/222350752.db2.gz BBYADUPFRFZCSC-QUCCMNQESA-N 2 0 375.513 1.131 50 0 GDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCOC(C)C)c2)CC1 ZINC000019770775 570218230 /nfs/dbraw/zinc/21/82/30/570218230.db2.gz LPFJFGQHYAFSTJ-OAQYLSRUSA-N 2 0 393.572 1.969 50 0 GDAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000215680503 570290804 /nfs/dbraw/zinc/29/08/04/570290804.db2.gz ALTVQXPCGFSUBM-OAQYLSRUSA-N 2 0 386.540 1.174 50 0 GDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811737 570433570 /nfs/dbraw/zinc/43/35/70/570433570.db2.gz SKGJIQBBSMPRRP-ACRUOGEOSA-N 2 0 391.556 1.457 50 0 GDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2CO)CC1 ZINC000095355102 571051296 /nfs/dbraw/zinc/05/12/96/571051296.db2.gz ZCRMVJIBNNZCEZ-NHCUHLMSSA-N 2 0 383.540 1.550 50 0 GDAARP CN(C)[C@@H](C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000095360491 571055282 /nfs/dbraw/zinc/05/52/82/571055282.db2.gz DBFYBSBPTWRAGY-HXUWFJFHSA-N 2 0 376.520 1.914 50 0 GDAARP