smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cccnc2n([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)c1=O ZINC000257176532 793822142 /nfs/dbraw/zinc/82/21/42/793822142.db2.gz ALRFEPJPGQWRRB-INIZCTEOSA-N 1 0 371.485 1.775 50 0 FDAARO O=C(CCO)N1CC[C@H](c2nnc3n2CC[N@@H+](Cc2ccccc2)CC3)C1 ZINC000257188095 793967240 /nfs/dbraw/zinc/96/72/40/793967240.db2.gz DMXYFOHPMHTQNI-KRWDZBQOSA-N 1 0 369.469 1.035 50 0 FDAARO Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257193824 794041493 /nfs/dbraw/zinc/04/14/93/794041493.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 1 0 356.470 1.836 50 0 FDAARO CN1CC2(C[C@@H]1C(=O)Nc1ccccc1)CCN(S(C)(=O)=O)CC2 ZINC000675011446 795221145 /nfs/dbraw/zinc/22/11/45/795221145.db2.gz UBKNBSZSHMRPMM-OAHLLOKOSA-N 1 0 351.472 1.371 50 0 FDAARO CCCNC(=O)N1CCC2(C[C@H](C(=O)NCc3ccccn3)[N@H+](C)C2)CC1 ZINC000675011426 795221231 /nfs/dbraw/zinc/22/12/31/795221231.db2.gz TUMCCOKZVAAWSZ-QGZVFWFLSA-N 1 0 373.501 1.604 50 0 FDAARO CCC[NH+]1CCC(NC(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)CC1 ZINC000426484814 810641375 /nfs/dbraw/zinc/64/13/75/810641375.db2.gz OUHLRFORSUOVAO-SFHVURJKSA-N 1 0 373.501 1.746 50 0 FDAARO C[NH+](C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000169790797 864528590 /nfs/dbraw/zinc/52/85/90/864528590.db2.gz VMLMGQIEACYCDW-SJLPKXTDSA-N 1 0 356.445 1.946 50 0 FDAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+][C@H](C)Cn1cncn1 ZINC000012445371 882011590 /nfs/dbraw/zinc/01/15/90/882011590.db2.gz PQEIVPONLNZITJ-OAHLLOKOSA-N 1 0 369.473 1.976 50 0 FDAARO COC[C@H](O)C[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000011663320 892163022 /nfs/dbraw/zinc/16/30/22/892163022.db2.gz CZDNBVLIOPLMMI-MRXNPFEDSA-N 1 0 374.485 1.756 50 0 FDAARO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc2ncccc21 ZINC000449727298 910476351 /nfs/dbraw/zinc/47/63/51/910476351.db2.gz PFAVCJONDRBBHY-KBPBESRZSA-N 1 0 350.426 1.981 50 0 FDAARO c1nc2ncnc(N3CCOC4(CC[NH+](C[C@H]5CCOC5)CC4)C3)c2[nH]1 ZINC000820430482 918893655 /nfs/dbraw/zinc/89/36/55/918893655.db2.gz IPPNXAGENYJMHY-CQSZACIVSA-N 1 0 358.446 1.061 50 0 FDAARO C[N@@H+]1CCOC[C@H](CNC(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000823801139 922100130 /nfs/dbraw/zinc/10/01/30/922100130.db2.gz KRZFPHLRHGEIHW-LJQANCHMSA-N 1 0 369.469 1.767 50 0 FDAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000824412435 922985895 /nfs/dbraw/zinc/98/58/95/922985895.db2.gz RDTPWEOMWHCXOW-ZDUSSCGKSA-N 1 0 369.512 1.851 50 0 FDAARO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C3CCC3)CC2)cc1C(N)=O ZINC000824704460 923163920 /nfs/dbraw/zinc/16/39/20/923163920.db2.gz TXCNDWNQMRTHCV-UHFFFAOYSA-N 1 0 367.471 1.043 50 0 FDAARO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)C[C@H](C)O1 ZINC000828244542 924857169 /nfs/dbraw/zinc/85/71/69/924857169.db2.gz LNUFXNQHSZMBIN-HLLBOEOZSA-N 1 0 364.486 1.963 50 0 FDAARO CNc1nc(N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)[nH+]c2c1CCC2 ZINC000828767774 924934131 /nfs/dbraw/zinc/93/41/31/924934131.db2.gz IPKJQDKBRCJTKI-TXEJJXNPSA-N 1 0 355.446 1.559 50 0 FDAARO CCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065428471 927512722 /nfs/dbraw/zinc/51/27/22/927512722.db2.gz WCXJWBILEIORAY-UHFFFAOYSA-N 1 0 369.473 1.439 50 0 FDAARO COc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)CCc1ccn(C)n1 ZINC000585085894 943925215 /nfs/dbraw/zinc/92/52/15/943925215.db2.gz MNDYEZBNFBZJED-UHFFFAOYSA-N 1 0 371.485 1.747 50 0 FDAARO O=c1ccc(-n2cccn2)nn1CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000585502415 952919034 /nfs/dbraw/zinc/91/90/34/952919034.db2.gz SYAHRBBAISUVFR-UHFFFAOYSA-N 1 0 370.501 1.627 50 0 FDAARO O=C(NC[C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000952852296 960168751 /nfs/dbraw/zinc/16/87/51/960168751.db2.gz JNPAUDLAIROZOD-XHSDSOJGSA-N 1 0 363.483 1.235 50 0 FDAARO CC1(C)CC(CC(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)CC(C)(C)[NH2+]1 ZINC000952872997 960220640 /nfs/dbraw/zinc/22/06/40/960220640.db2.gz STDKJHUWPYBUNW-UHFFFAOYSA-N 1 0 363.502 1.979 50 0 FDAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCN2CCCCCC2=O)C1 ZINC000952965394 960249933 /nfs/dbraw/zinc/24/99/33/960249933.db2.gz HALLLVMTZXVJJK-KRWDZBQOSA-N 1 0 353.507 1.596 50 0 FDAARO COC[C@H]1CCCN1S(=O)(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000952971173 960265264 /nfs/dbraw/zinc/26/52/64/960265264.db2.gz RNFDCEUHPZCVTL-MRXNPFEDSA-N 1 0 368.503 1.258 50 0 FDAARO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952975692 960272819 /nfs/dbraw/zinc/27/28/19/960272819.db2.gz JXQKZJQCPLQVSX-YOEHRIQHSA-N 1 0 369.469 1.434 50 0 FDAARO Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000952985535 960304474 /nfs/dbraw/zinc/30/44/74/960304474.db2.gz CEPOXBXUZDTFOH-UHFFFAOYSA-N 1 0 362.499 1.914 50 0 FDAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](C)[C@]3(C1)CCNC(=O)CC3)CO2 ZINC000095382544 1013838724 /nfs/dbraw/zinc/83/87/24/1013838724.db2.gz IIHUFHAQWKQRIO-NRFANRHFSA-N 1 0 371.481 1.757 50 0 FDAARO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000264809560 179208342 /nfs/dbraw/zinc/20/83/42/179208342.db2.gz SJMOVSQFZDYPNG-MNOVXSKESA-N 1 0 359.352 1.462 50 0 FDAARO CCn1nc(-c2cccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2)nc1N(C)C ZINC000534650474 540394743 /nfs/dbraw/zinc/39/47/43/540394743.db2.gz ZKTPHADCKFTVQJ-QGZVFWFLSA-N 1 0 368.485 1.855 50 0 FDAARO O=C(COc1ccccc1)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000299760495 203755733 /nfs/dbraw/zinc/75/57/33/203755733.db2.gz UKHBZHJFMCGXDX-UXHICEINSA-N 1 0 352.434 1.919 50 0 FDAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687804 204155421 /nfs/dbraw/zinc/15/54/21/204155421.db2.gz GNRAWKAFQIPKTA-CVEARBPZSA-N 1 0 359.536 1.429 50 0 FDAARO COc1noc(COc2ccccc2OC[C@@H](O)C[NH2+]C(C)(C)C)n1 ZINC000005353058 204204638 /nfs/dbraw/zinc/20/46/38/204204638.db2.gz NXTODQHJOKDVFU-LBPRGKRZSA-N 1 0 351.403 1.785 50 0 investigational FDAARO Cn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3CCCC3)c(=O)c21 ZINC000004916276 204175895 /nfs/dbraw/zinc/17/58/95/204175895.db2.gz GQINMICQAHDWQL-UHFFFAOYSA-N 1 0 367.453 1.490 50 0 FDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841303 204276077 /nfs/dbraw/zinc/27/60/77/204276077.db2.gz WWEPDCVNBOEKAD-GFCCVEGCSA-N 1 0 360.483 1.927 50 0 FDAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000007728853 204305036 /nfs/dbraw/zinc/30/50/36/204305036.db2.gz CFBYGHLCMBCYOA-UHFFFAOYSA-N 1 0 365.499 1.972 50 0 FDAARO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000009052682 204352866 /nfs/dbraw/zinc/35/28/66/204352866.db2.gz AVRQBJJCBVYZBJ-UKTHLTGXSA-N 1 0 351.403 1.540 50 0 FDAARO C[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008744024 204342913 /nfs/dbraw/zinc/34/29/13/204342913.db2.gz LEHWZWOVTNARTB-LBPRGKRZSA-N 1 0 373.482 1.253 50 0 FDAARO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1Cl ZINC000010111397 204390784 /nfs/dbraw/zinc/39/07/84/204390784.db2.gz OYBMZGFLTRJTJG-UHFFFAOYSA-N 1 0 361.895 1.482 50 0 FDAARO Cc1ccccc1C[N@@H+](CCN1CCOCC1)C[C@H](O)COC(C)C ZINC000036104367 205004700 /nfs/dbraw/zinc/00/47/00/205004700.db2.gz SUMHXMMZPUEKDB-FQEVSTJZSA-N 1 0 350.503 1.915 50 0 FDAARO COc1cccc(C[NH2+]CCSC)c1OC[C@@H](O)CN1CCOCC1 ZINC000039466392 205046190 /nfs/dbraw/zinc/04/61/90/205046190.db2.gz AIBUQZGIJJLBRW-INIZCTEOSA-N 1 0 370.515 1.220 50 0 FDAARO NC(=O)C1CC[NH+](CCCNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000040118831 205057596 /nfs/dbraw/zinc/05/75/96/205057596.db2.gz NXOQDHMIMWXABU-UHFFFAOYSA-N 1 0 357.410 1.110 50 0 FDAARO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC(=O)N2C)cc1 ZINC000299739432 205115648 /nfs/dbraw/zinc/11/56/48/205115648.db2.gz OGXREICMYMVEAR-ZSFPCNDZSA-N 1 0 359.470 1.800 50 0 FDAARO O=C(CCc1ccccc1)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000048253237 205153611 /nfs/dbraw/zinc/15/36/11/205153611.db2.gz QOOMWUWJJQEUCT-IBGZPJMESA-N 1 0 356.470 1.457 50 0 FDAARO COC[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccnn1C ZINC000055403596 205218573 /nfs/dbraw/zinc/21/85/73/205218573.db2.gz NINNKFBPCUTFBP-INIZCTEOSA-N 1 0 355.442 1.728 50 0 FDAARO Cc1cc(NC(=O)CSCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)no1 ZINC000058168613 205253514 /nfs/dbraw/zinc/25/35/14/205253514.db2.gz QAUANKGFLQMLQB-ZDUSSCGKSA-N 1 0 368.503 1.891 50 0 FDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058268933 205268444 /nfs/dbraw/zinc/26/84/44/205268444.db2.gz BJHSPEHJJIODSJ-UHFFFAOYSA-N 1 0 358.442 1.925 50 0 FDAARO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000061721208 205288203 /nfs/dbraw/zinc/28/82/03/205288203.db2.gz GJUNVTIHRHHSHZ-INIZCTEOSA-N 1 0 358.442 1.437 50 0 FDAARO CC[NH+]1CCN(CCNC(=O)CCc2ccnc(N3CCCC3)c2)CC1 ZINC000065269696 205333012 /nfs/dbraw/zinc/33/30/12/205333012.db2.gz RMGPZKWWMTYJIS-UHFFFAOYSA-N 1 0 359.518 1.368 50 0 FDAARO C[C@@H](C(=O)NCC[NH+](C)C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061763 205316899 /nfs/dbraw/zinc/31/68/99/205316899.db2.gz VPRQOEPGBFLNER-CYBMUJFWSA-N 1 0 373.544 1.463 50 0 FDAARO NS(=O)(=O)c1ccc(C[NH2+]CCC(=O)NC2CCCCCC2)cc1 ZINC000065426352 205350434 /nfs/dbraw/zinc/35/04/34/205350434.db2.gz LJPOEEQGSXYFMY-UHFFFAOYSA-N 1 0 353.488 1.653 50 0 FDAARO Cn1c2ccccc2nc1-c1cc2n(n1)CCCN(C(=O)[C@H]1C=CC[NH2+]1)C2 ZINC000065393848 205344791 /nfs/dbraw/zinc/34/47/91/205344791.db2.gz LFPYHDMXWBRZHX-MRXNPFEDSA-N 1 0 362.437 1.697 50 0 FDAARO O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282723906 182047982 /nfs/dbraw/zinc/04/79/82/182047982.db2.gz KWDIKUZUZVZJNW-QGZVFWFLSA-N 1 0 369.465 1.572 50 0 FDAARO Cc1ncccc1OC1(C(=O)NCc2noc(C(C)C)n2)CC[NH2+]CC1 ZINC000065405811 205346844 /nfs/dbraw/zinc/34/68/44/205346844.db2.gz SLLMJYCRAINOQD-UHFFFAOYSA-N 1 0 359.430 1.714 50 0 FDAARO Cc1sc2nc(CC[NH3+])nc(NCCSc3nnnn3C)c2c1C ZINC000065406463 205349101 /nfs/dbraw/zinc/34/91/01/205349101.db2.gz BVXKMSZGHGNDBT-UHFFFAOYSA-N 1 0 364.504 1.537 50 0 FDAARO O=C(CC1=CC[NH2+]CC1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067515485 205374350 /nfs/dbraw/zinc/37/43/50/205374350.db2.gz QWBKUTKTYHUNDO-UHFFFAOYSA-N 1 0 367.453 1.576 50 0 FDAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000067514223 205374855 /nfs/dbraw/zinc/37/48/55/205374855.db2.gz LCSQZGUBHSINHV-UHFFFAOYSA-N 1 0 353.488 1.446 50 0 FDAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCn3ccnc3C)cnn2c1 ZINC000067515514 205375627 /nfs/dbraw/zinc/37/56/27/205375627.db2.gz IUGQMMVTCQSVFY-UHFFFAOYSA-N 1 0 355.446 1.506 50 0 FDAARO CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC12CC[NH+](C)CC2 ZINC000067605308 205377140 /nfs/dbraw/zinc/37/71/40/205377140.db2.gz MNESQWVMZRGFSS-UHFFFAOYSA-N 1 0 354.458 1.324 50 0 FDAARO Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067630175 205378675 /nfs/dbraw/zinc/37/86/75/205378675.db2.gz LPCOFVDWDMCRLS-UHFFFAOYSA-N 1 0 359.474 1.460 50 0 FDAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)C)C2=O)c1OC ZINC000067673136 205379421 /nfs/dbraw/zinc/37/94/21/205379421.db2.gz YBSAGNAIQCPHTE-LJQANCHMSA-N 1 0 350.459 1.945 50 0 FDAARO COc1cc2[nH]c(=O)c(C[N@@H+]3CCC[C@@H](CO)C3)cc2c(OC)c1OC ZINC000067727103 205387718 /nfs/dbraw/zinc/38/77/18/205387718.db2.gz UYKKJSYQBFPTRM-GFCCVEGCSA-N 1 0 362.426 1.758 50 0 FDAARO COCCN(C)c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067725622 205387815 /nfs/dbraw/zinc/38/78/15/205387815.db2.gz QFGHRUNQGLNZOC-UHFFFAOYSA-N 1 0 362.474 1.101 50 0 FDAARO CN1CCN(C(=O)[C@@]23CC[C@@](C)(OC2=O)C3(C)C)CC12CC[NH+](C)CC2 ZINC000067726577 205388254 /nfs/dbraw/zinc/38/82/54/205388254.db2.gz GPDJGPYNXHAJRX-QUCCMNQESA-N 1 0 363.502 1.347 50 0 FDAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067773929 205390214 /nfs/dbraw/zinc/39/02/14/205390214.db2.gz AOSPSIBYZRVTSQ-HNNXBMFYSA-N 1 0 364.490 1.482 50 0 FDAARO CC(C)C[C@@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CC[NH2+]CC2 ZINC000067771505 205391593 /nfs/dbraw/zinc/39/15/93/205391593.db2.gz DHHNYDDWZVYWAC-OAHLLOKOSA-N 1 0 367.457 1.589 50 0 FDAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)[C@H]2C=CC[NH2+]2)CCO3)n1 ZINC000067842709 205395513 /nfs/dbraw/zinc/39/55/13/205395513.db2.gz KIWCQJKHDWUFKQ-MRXNPFEDSA-N 1 0 366.421 1.715 50 0 FDAARO O=C(NCc1[nH]nc2c1CCCCC2)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067850987 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350.459 1.709 50 0 FDAARO Cc1ncc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccccc2)n1 ZINC000215404241 206345341 /nfs/dbraw/zinc/34/53/41/206345341.db2.gz SWELKKTTXYKINP-INIZCTEOSA-N 1 0 367.453 1.379 50 0 FDAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccc(=O)n(C)n3)O2)CC1 ZINC000215322455 206346476 /nfs/dbraw/zinc/34/64/76/206346476.db2.gz PBAJUFXJXDZRTF-INIZCTEOSA-N 1 0 374.485 1.490 50 0 FDAARO Cc1nc(C)c(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC000218799221 206374463 /nfs/dbraw/zinc/37/44/63/206374463.db2.gz ZVIDSLACUPELNK-SFHVURJKSA-N 1 0 368.481 1.910 50 0 FDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000219530453 206387677 /nfs/dbraw/zinc/38/76/77/206387677.db2.gz IZSLPALMIUOKEI-UHFFFAOYSA-N 1 0 363.421 1.979 50 0 FDAARO COc1ccccc1-n1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cn1 ZINC000219705738 206388217 /nfs/dbraw/zinc/38/82/17/206388217.db2.gz KTHAEYLHHSJCDC-BVPBIZIASA-N 1 0 356.426 1.328 50 0 FDAARO Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C ZINC000219839046 206392738 /nfs/dbraw/zinc/39/27/38/206392738.db2.gz ZRGUDFNFCPGQBQ-WBVHZDCISA-N 1 0 370.877 1.879 50 0 FDAARO Cc1nc2cc(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)ccc2n1C ZINC000219977312 206395970 /nfs/dbraw/zinc/39/59/70/206395970.db2.gz WXDFAVXGFWBGJI-OAHLLOKOSA-N 1 0 357.502 1.914 50 0 FDAARO O=C(C1CCC1)N1CCC([NH2+][C@@H]2CCOC[C@H]2Oc2ccccn2)CC1 ZINC000222275943 206413501 /nfs/dbraw/zinc/41/35/01/206413501.db2.gz KBWGZAMJONWBIO-QZTJIDSGSA-N 1 0 359.470 1.999 50 0 FDAARO Cc1nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc(N(C)C)[nH+]1 ZINC000077134119 132178853 /nfs/dbraw/zinc/17/88/53/132178853.db2.gz DCVGEXVOSJVUTC-HNNXBMFYSA-N 1 0 369.469 1.967 50 0 FDAARO CC(C)([NH3+])C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 ZINC000091893036 132204825 /nfs/dbraw/zinc/20/48/25/132204825.db2.gz IPKBZGPRKTYKJZ-AWEZNQCLSA-N 1 0 361.490 1.305 50 0 FDAARO O=C(c1ccnc(N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1)N1CCCC1 ZINC000095531316 132215305 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O=C(Cn1c(=O)c2cccn2c2cccnc21)NCC[NH+]1CCCCCC1 ZINC000006797281 204271886 /nfs/dbraw/zinc/27/18/86/204271886.db2.gz WJMZTTZOTNJTKR-UHFFFAOYSA-N 1 0 367.453 1.641 50 0 FDAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000007800303 204308220 /nfs/dbraw/zinc/30/82/20/204308220.db2.gz WEIOWKFIXCOMGF-OKZBNKHCSA-N 1 0 371.481 1.971 50 0 FDAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)C)cc1 ZINC000008749038 204343376 /nfs/dbraw/zinc/34/33/76/204343376.db2.gz XVRACHPREJAFQB-AWEZNQCLSA-N 1 0 355.504 1.674 50 0 FDAARO C[NH+](C)CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000010111562 204391017 /nfs/dbraw/zinc/39/10/17/204391017.db2.gz POASJKGCJGMKAI-UHFFFAOYSA-N 1 0 367.393 1.149 50 0 FDAARO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc(S(=O)(=O)N(C)C)c1C ZINC000012948824 204512164 /nfs/dbraw/zinc/51/21/64/204512164.db2.gz IJWCZJYAGJJHJQ-INIZCTEOSA-N 1 0 369.531 1.870 50 0 FDAARO C[N@@H+]1CCCN(C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000075163726 205035576 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O[C@@H]1CCCN(c2ccnc(N3CC[NH+](CCc4ccccc4)CC3)n2)C1 ZINC000065459696 205352449 /nfs/dbraw/zinc/35/24/49/205352449.db2.gz SJDPABMDFCUPLA-LJQANCHMSA-N 1 0 367.497 1.802 50 0 FDAARO CN(c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000065362738 205338317 /nfs/dbraw/zinc/33/83/17/205338317.db2.gz PTVCGZCHNXNMBP-UHFFFAOYSA-N 1 0 353.488 1.544 50 0 FDAARO Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000065363954 205339916 /nfs/dbraw/zinc/33/99/16/205339916.db2.gz SWUJAVSHGUXZDI-UHFFFAOYSA-N 1 0 369.878 1.895 50 0 FDAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(Cc2nc(C)c[nH]2)C1 ZINC000067539985 205374701 /nfs/dbraw/zinc/37/47/01/205374701.db2.gz KPWCSAOYMOPMPC-HNNXBMFYSA-N 1 0 361.494 1.037 50 0 FDAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000067601753 205375797 /nfs/dbraw/zinc/37/57/97/205375797.db2.gz GTSAZXCWKXOBFX-INIZCTEOSA-N 1 0 371.478 1.581 50 0 FDAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C(C)(C)C)C2=O)c1OC ZINC000067673137 205379754 /nfs/dbraw/zinc/37/97/54/205379754.db2.gz YBSAGNAIQCPHTE-IBGZPJMESA-N 1 0 350.459 1.945 50 0 FDAARO O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1Cc1nccs1 ZINC000067654837 205380327 /nfs/dbraw/zinc/38/03/27/205380327.db2.gz HZSAGVNDHLHEOP-KRWDZBQOSA-N 1 0 357.439 1.485 50 0 FDAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000067672890 205380447 /nfs/dbraw/zinc/38/04/47/205380447.db2.gz ZUZNSKWQRKKMEA-QGZVFWFLSA-N 1 0 358.490 1.401 50 0 FDAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]CCc1cnccn1 ZINC000067674742 205381395 /nfs/dbraw/zinc/38/13/95/205381395.db2.gz ILXYFUNCBQTLNI-FQEVSTJZSA-N 1 0 360.502 1.933 50 0 FDAARO CC(C)c1cc(C2CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)[nH]n1 ZINC000067689171 205383801 /nfs/dbraw/zinc/38/38/01/205383801.db2.gz SKNUQOPFSVLPCZ-OAHLLOKOSA-N 1 0 361.490 1.436 50 0 FDAARO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)cc2c1 ZINC000067696968 205386193 /nfs/dbraw/zinc/38/61/93/205386193.db2.gz DTYFMHFFESKRLZ-OALUTQOASA-N 1 0 357.454 1.104 50 0 FDAARO COc1cc2[nH]c(=O)c(CN3CC[C@H]([NH+](C)C)C3)cc2c(OC)c1OC ZINC000067758801 205388921 /nfs/dbraw/zinc/38/89/21/205388921.db2.gz WDXRJCFGCCRNAN-ZDUSSCGKSA-N 1 0 361.442 1.690 50 0 FDAARO O=C(c1cc(COc2ccccc2F)[nH]n1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000067773543 205389948 /nfs/dbraw/zinc/38/99/48/205389948.db2.gz AXDJRWMJBJRFKB-IRXDYDNUSA-N 1 0 374.416 1.409 50 0 FDAARO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)CC1 ZINC000067785637 205391221 /nfs/dbraw/zinc/39/12/21/205391221.db2.gz AGBGQEMRBCSTAB-MRXNPFEDSA-N 1 0 369.469 1.608 50 0 FDAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCN3C)n1-c1cccnc1 ZINC000067786148 205391447 /nfs/dbraw/zinc/39/14/47/205391447.db2.gz HJCWESJRGZNXKV-UHFFFAOYSA-N 1 0 353.470 1.577 50 0 FDAARO CC[NH+]1CCC(C(=O)N2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)CC1 ZINC000072148349 205482219 /nfs/dbraw/zinc/48/22/19/205482219.db2.gz LSYOZIDYSRRIFS-UHFFFAOYSA-N 1 0 367.453 1.449 50 0 FDAARO Cn1ncnc1CCNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072424018 205539491 /nfs/dbraw/zinc/53/94/91/205539491.db2.gz QGUOBPFCDZRXPC-UHFFFAOYSA-N 1 0 350.430 1.010 50 0 FDAARO Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072422484 205539680 /nfs/dbraw/zinc/53/96/80/205539680.db2.gz NYRIAMYTQONTKF-WMLDXEAASA-N 1 0 354.454 1.888 50 0 FDAARO COCc1noc(CNc2nc(C3CCCC3)nc3c2CC[NH2+]CC3)n1 ZINC000072477457 205562973 /nfs/dbraw/zinc/56/29/73/205562973.db2.gz ADNFHFPCMISOEB-UHFFFAOYSA-N 1 0 358.446 1.964 50 0 FDAARO CC[C@H](Nc1nc(NCCOC)nc2c1CC[NH2+]CC2)c1cnn(C)c1 ZINC000072476805 205562486 /nfs/dbraw/zinc/56/24/86/205562486.db2.gz UQDKQMKYECIJNI-HNNXBMFYSA-N 1 0 359.478 1.520 50 0 FDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@H]21 ZINC000072431688 205545740 /nfs/dbraw/zinc/54/57/40/205545740.db2.gz VNINKNCCXRREEQ-FUHWJXTLSA-N 1 0 355.482 1.777 50 0 FDAARO O=C(CCc1cccc(F)c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077505693 205609088 /nfs/dbraw/zinc/60/90/88/205609088.db2.gz IGDMZYPAURBRDY-IBGZPJMESA-N 1 0 350.434 1.444 50 0 FDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C(C)C)nc3C)CC[C@H]21 ZINC000077523927 205609728 /nfs/dbraw/zinc/60/97/28/205609728.db2.gz XYPRUNJPXSBHRY-DOTOQJQBSA-N 1 0 373.501 1.581 50 0 FDAARO COc1cccc(C(=O)N2CCC(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)CC2)c1 ZINC000092037082 205710631 /nfs/dbraw/zinc/71/06/31/205710631.db2.gz YLKMGRIVPNTKNI-MOPGFXCFSA-N 1 0 371.481 1.743 50 0 FDAARO CN(C)[C@H](C(=O)N1CC23CN(C)CC2(C1)C[NH+](C)C3)c1ccccc1F ZINC000095376726 205741322 /nfs/dbraw/zinc/74/13/22/205741322.db2.gz HZGQKCAEWRYQTN-KKXNLOMOSA-N 1 0 360.477 1.134 50 0 FDAARO CC(C)[NH+]1CCC(CC(=O)N2CCc3onc(C(=O)N(C)C)c3C2)CC1 ZINC000095512275 205776800 /nfs/dbraw/zinc/77/68/00/205776800.db2.gz WKKBMZWMRZUFNI-UHFFFAOYSA-N 1 0 362.474 1.772 50 0 FDAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1ccc(-n2cnnc2)nc1 ZINC000097475453 205910493 /nfs/dbraw/zinc/91/04/93/205910493.db2.gz YUOVVWNVOUMUPN-UHFFFAOYSA-N 1 0 352.398 1.650 50 0 FDAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1ccccc1-c1ncc[nH]1 ZINC000097773083 205925947 /nfs/dbraw/zinc/92/59/47/205925947.db2.gz JWONHFRWACLAQB-HNNXBMFYSA-N 1 0 369.469 1.749 50 0 FDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000237957511 206111540 /nfs/dbraw/zinc/11/15/40/206111540.db2.gz MHHJYSPHSDXISC-KBPBESRZSA-N 1 0 366.259 1.752 50 0 FDAARO c1ncn2c1CN(Cc1cc3n(n1)CCC[N@@H+](C[C@H]1CCOC1)C3)CCC2 ZINC000106956454 206243971 /nfs/dbraw/zinc/24/39/71/206243971.db2.gz CJRKXDVIEUIWHZ-QGZVFWFLSA-N 1 0 370.501 1.728 50 0 FDAARO Cc1cc2c(cc1CN1CC[N@H+](C)[C@]3(C1)CCC(=O)N(C)CC3)OCO2 ZINC000107658157 206245545 /nfs/dbraw/zinc/24/55/45/206245545.db2.gz MUMTXFXXUAIPSZ-HXUWFJFHSA-N 1 0 359.470 1.852 50 0 FDAARO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104417132 206230765 /nfs/dbraw/zinc/23/07/65/206230765.db2.gz LTLNSZHEEQQZKC-GOSISDBHSA-N 1 0 364.486 1.751 50 0 FDAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1Br ZINC000104367245 206237387 /nfs/dbraw/zinc/23/73/87/206237387.db2.gz LUOTULGZLRILKT-VIFPVBQESA-N 1 0 351.241 1.866 50 0 FDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000053202873 206239624 /nfs/dbraw/zinc/23/96/24/206239624.db2.gz JWFUGAMKFKDINO-JTQLQIEISA-N 1 0 351.241 1.961 50 0 FDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 ZINC000053203070 206240001 /nfs/dbraw/zinc/24/00/01/206240001.db2.gz CMQUDRIAKCDTTN-NSHDSACASA-N 1 0 363.277 1.830 50 0 FDAARO Cc1cn2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c(=O)[nH]1 ZINC000206635048 206279879 /nfs/dbraw/zinc/27/98/79/206279879.db2.gz MOJQJFYVHCHMPN-UHFFFAOYSA-N 1 0 365.437 1.725 50 0 FDAARO CC[NH+](CC)CCCNC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000011691368 206284925 /nfs/dbraw/zinc/28/49/25/206284925.db2.gz MBZJRTDAYALIBT-UHFFFAOYSA-N 1 0 355.442 1.648 50 0 FDAARO C[NH+](C)CCCNC(=O)CNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012296697 206290576 /nfs/dbraw/zinc/29/05/76/206290576.db2.gz MRMNYYQTTHLSJT-UHFFFAOYSA-N 1 0 357.458 1.304 50 0 biogenic FDAARO CC(C)(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015377235 206316577 /nfs/dbraw/zinc/31/65/77/206316577.db2.gz GKTKJYDHAUUOCH-UHFFFAOYSA-N 1 0 353.488 1.049 50 0 FDAARO CN1N=C(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CCC1=O ZINC000215708989 206349416 /nfs/dbraw/zinc/34/94/16/206349416.db2.gz QYCIHWUEMAVMAC-KRWDZBQOSA-N 1 0 354.454 1.296 50 0 FDAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000216068637 206353084 /nfs/dbraw/zinc/35/30/84/206353084.db2.gz MSLXMTVHOZDWOP-OAHLLOKOSA-N 1 0 365.441 1.539 50 0 FDAARO OCc1ccccc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000216293910 206357259 /nfs/dbraw/zinc/35/72/59/206357259.db2.gz XHYOZBUZLJTCDO-UHFFFAOYSA-N 1 0 364.453 1.677 50 0 FDAARO Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3[C@@H]4OCC[C@@H]4[C@@H]3[NH3+])sc21 ZINC000219460937 206385448 /nfs/dbraw/zinc/38/54/48/206385448.db2.gz MATNJMSTRZEUGG-KNPZVZKISA-N 1 0 360.361 1.498 50 0 FDAARO CC(C)CS(=O)(=O)CCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000216404660 206358606 /nfs/dbraw/zinc/35/86/06/206358606.db2.gz PLVOZBBCVGAIRI-QGZVFWFLSA-N 1 0 352.500 1.954 50 0 FDAARO CCc1nn(C)c(Cl)c1CN1CCC(c2nnc(CO)n2C)CC1 ZINC000216520957 206359269 /nfs/dbraw/zinc/35/92/69/206359269.db2.gz ZKAPBJGQKNQAPN-UHFFFAOYSA-N 1 0 352.870 1.636 50 0 FDAARO O=S(=O)(N1CCCC1)N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000216546880 206359453 /nfs/dbraw/zinc/35/94/53/206359453.db2.gz BYEDKMZYMVLQRD-UHFFFAOYSA-N 1 0 365.459 1.128 50 0 FDAARO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN2CC)c1 ZINC000022927352 206395986 /nfs/dbraw/zinc/39/59/86/206395986.db2.gz OOCZRJFMQMCTMA-IAGOWNOFSA-N 1 0 350.459 1.677 50 0 FDAARO CN(Cc1cc(-c2cccnc2)no1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223071642 206431379 /nfs/dbraw/zinc/43/13/79/206431379.db2.gz HQSCBLGCXZFIFY-UHFFFAOYSA-N 1 0 351.414 1.950 50 0 FDAARO COc1ccc(OC2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)cc1 ZINC000299798727 532996520 /nfs/dbraw/zinc/99/65/20/532996520.db2.gz VPFHUZZCMOQKHR-UHFFFAOYSA-N 1 0 361.486 1.703 50 0 FDAARO CCN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000077537311 132188642 /nfs/dbraw/zinc/18/86/42/132188642.db2.gz 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O=C(CN1C(=O)COc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009867382 518518239 /nfs/dbraw/zinc/51/82/39/518518239.db2.gz SFJHZGIXHDRRBR-INIZCTEOSA-N 1 0 369.421 1.958 50 0 FDAARO O=C(CN1C(=O)COc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009867390 518518813 /nfs/dbraw/zinc/51/88/13/518518813.db2.gz SFJHZGIXHDRRBR-MRXNPFEDSA-N 1 0 369.421 1.958 50 0 FDAARO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000010450069 518536749 /nfs/dbraw/zinc/53/67/49/518536749.db2.gz OCBVLBLRMJFAGZ-UHFFFAOYSA-N 1 0 373.906 1.708 50 0 FDAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)CC2)cc(C)[nH+]1 ZINC000011841939 518575798 /nfs/dbraw/zinc/57/57/98/518575798.db2.gz UZNYUWPUXOFTSU-MRXNPFEDSA-N 1 0 356.470 1.748 50 0 FDAARO Cc1cc(N2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)C3)CC2)cc(C)[nH+]1 ZINC000011841941 518575834 /nfs/dbraw/zinc/57/58/34/518575834.db2.gz UZNYUWPUXOFTSU-INIZCTEOSA-N 1 0 356.470 1.748 50 0 FDAARO C[NH+](C)CCCNC(=O)CCNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012297056 518602630 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C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(O)nc3sccn3c2=O)C1 ZINC000016690023 518767564 /nfs/dbraw/zinc/76/75/64/518767564.db2.gz ATXDHNJTFSETTH-TXEJJXNPSA-N 1 0 364.471 1.559 50 0 FDAARO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1cccs1 ZINC000018249420 518795824 /nfs/dbraw/zinc/79/58/24/518795824.db2.gz ZARCLBVUHOZSRZ-UHFFFAOYSA-N 1 0 358.467 1.888 50 0 FDAARO [NH3+][C@H]1[C@@H](O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H]1OCc1ccccc1 ZINC000019892564 518839864 /nfs/dbraw/zinc/83/98/64/518839864.db2.gz BOSPELTZTUYCQA-AXGBLAMUSA-N 1 0 357.406 1.731 50 0 FDAARO COCCn1c(C)cc(O)c([C@H](c2ccccc2)N2CC[NH+](C)CC2)c1=O ZINC000020604605 518853215 /nfs/dbraw/zinc/85/32/15/518853215.db2.gz PZQUBCWGAJWEDL-FQEVSTJZSA-N 1 0 371.481 1.846 50 0 FDAARO Cn1cccc1[C@H](CNS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000021154827 518867752 /nfs/dbraw/zinc/86/77/52/518867752.db2.gz GSDKMCAILLZJSU-HNNXBMFYSA-N 1 0 368.528 1.354 50 0 FDAARO CC[NH+]1CCN(c2ncc(C(=O)NCCc3cccs3)c(C)n2)CC1 ZINC000021638489 518878958 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CC(=O)c1cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cs1 ZINC000023374060 518948242 /nfs/dbraw/zinc/94/82/42/518948242.db2.gz IMWKMCGCAJCXJH-SFHVURJKSA-N 1 0 365.543 1.914 50 0 FDAARO [NH3+]Cc1cn(C[C@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000023368704 518949412 /nfs/dbraw/zinc/94/94/12/518949412.db2.gz RBJWQMZVYLUTCV-HNNXBMFYSA-N 1 0 360.437 1.540 50 0 FDAARO OCCc1cn(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nn1 ZINC000023479024 518953710 /nfs/dbraw/zinc/95/37/10/518953710.db2.gz FEJCPVSZXGYTQH-UHFFFAOYSA-N 1 0 352.442 1.836 50 0 FDAARO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 ZINC000024747103 519012731 /nfs/dbraw/zinc/01/27/31/519012731.db2.gz AWSFNCBTUPJYKA-CYBMUJFWSA-N 1 0 359.426 1.369 50 0 FDAARO COc1ccc(C[N@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1F ZINC000024958732 519026268 /nfs/dbraw/zinc/02/62/68/519026268.db2.gz VAKGLWXXMPFZAN-AWEZNQCLSA-N 1 0 372.396 1.923 50 0 FDAARO CC(C)(C)NC(=O)CN1CCC[N@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000026908521 519145396 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LDEFACIDGNHNHM-WMLDXEAASA-N 1 0 367.515 1.584 50 0 FDAARO O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238007887 526576675 /nfs/dbraw/zinc/57/66/75/526576675.db2.gz XFWNZXXWNFHFFR-QRQLOZEOSA-N 1 0 356.422 1.138 50 0 FDAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000082100002 526645107 /nfs/dbraw/zinc/64/51/07/526645107.db2.gz NVLCUHWULKEBSC-CQSZACIVSA-N 1 0 354.332 1.355 50 0 FDAARO Cc1onc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c1CO ZINC000082145878 526856208 /nfs/dbraw/zinc/85/62/08/526856208.db2.gz VFSLRZCHDASHNE-UHFFFAOYSA-N 1 0 373.457 1.750 50 0 FDAARO Cc1nc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)nc2c1CCCC2 ZINC000244564023 526886089 /nfs/dbraw/zinc/88/60/89/526886089.db2.gz CLEPSIPZPZEABD-OKILXGFUSA-N 1 0 369.473 1.628 50 0 FDAARO O=C(COc1cccc(C(F)(F)F)c1)N1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000089780687 526974012 /nfs/dbraw/zinc/97/40/12/526974012.db2.gz QQTFNKWFKILMST-LSDHHAIUSA-N 1 0 358.360 1.752 50 0 FDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000244626619 527038130 /nfs/dbraw/zinc/03/81/30/527038130.db2.gz FPHICIHAPDORHX-SPYBWZPUSA-N 1 0 368.424 1.711 50 0 FDAARO OCc1cn(C[C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)nn1 ZINC000020855280 527640299 /nfs/dbraw/zinc/64/02/99/527640299.db2.gz IQMFUDUFIIFPFI-KRWDZBQOSA-N 1 0 352.442 1.868 50 0 FDAARO CCn1c(COc2cccc(N3CCOCC3)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244678453 535986000 /nfs/dbraw/zinc/98/60/00/535986000.db2.gz IDGKYAATIACKFH-GASCZTMLSA-N 1 0 357.458 1.918 50 0 FDAARO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000188260840 536287558 /nfs/dbraw/zinc/28/75/58/536287558.db2.gz NRSKRJSHBHHNCW-UHFFFAOYSA-N 1 0 365.503 1.773 50 0 FDAARO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000193349619 537245788 /nfs/dbraw/zinc/24/57/88/537245788.db2.gz FLXMBTZJLSTTPW-JTQLQIEISA-N 1 0 363.277 1.796 50 0 FDAARO O=C1NCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000193690838 537254262 /nfs/dbraw/zinc/25/42/62/537254262.db2.gz AVOQSYBOPCGBPS-OAHLLOKOSA-N 1 0 353.850 1.569 50 0 FDAARO O=C(NC[C@H](c1ccncc1)N1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000215301805 537436422 /nfs/dbraw/zinc/43/64/22/537436422.db2.gz IIOBXMDLXUXDRD-LJQANCHMSA-N 1 0 372.513 1.980 50 0 FDAARO COc1cc2c(cc1C[NH+]1CCC(c3nnc(CO)n3C)CC1)OCCO2 ZINC000215848758 537441060 /nfs/dbraw/zinc/44/10/60/537441060.db2.gz NJVYNVMWWSOAPT-UHFFFAOYSA-N 1 0 374.441 1.467 50 0 FDAARO COCC[NH+]1CCC(CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)CC1 ZINC000216052954 537443601 /nfs/dbraw/zinc/44/36/01/537443601.db2.gz XRRMHKWYMIDUPO-UHFFFAOYSA-N 1 0 364.490 1.498 50 0 FDAARO Cn1cnc2cc(C(=O)N3CC[NH+](C4CCSCC4)CC3)ccc2c1=O ZINC000215922834 537444644 /nfs/dbraw/zinc/44/46/44/537444644.db2.gz NIQVSYAQTZSVIZ-UHFFFAOYSA-N 1 0 372.494 1.587 50 0 FDAARO O=C(CC[NH+]1Cc2ccccc2C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000219369170 537475272 /nfs/dbraw/zinc/47/52/72/537475272.db2.gz SDZOOVOHVXBXRA-IBGZPJMESA-N 1 0 371.481 1.490 50 0 FDAARO Cc1nc2c(c(N3CCCn4nc([C@@H](O)C[NH+](C)C)cc4C3)n1)CCC2 ZINC000219506643 537476738 /nfs/dbraw/zinc/47/67/38/537476738.db2.gz NASTWCQICAXSAV-SFHVURJKSA-N 1 0 356.474 1.476 50 0 FDAARO Cc1ccc(F)c(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)c1 ZINC000220596956 537491461 /nfs/dbraw/zinc/49/14/61/537491461.db2.gz PEWGCOJFDFXVEI-CABCVRRESA-N 1 0 360.451 1.148 50 0 FDAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2 ZINC000220748521 537493677 /nfs/dbraw/zinc/49/36/77/537493677.db2.gz IZKJKATWQBGICM-LJQANCHMSA-N 1 0 354.454 1.623 50 0 FDAARO COc1cccc([C@H]2CCN(C(=O)CN3CCC[N@H+](C)CC3)C2)c1OC ZINC000221454302 537503028 /nfs/dbraw/zinc/50/30/28/537503028.db2.gz JOKWHTUZYVPEPW-INIZCTEOSA-N 1 0 361.486 1.657 50 0 FDAARO Cc1nc(Cn2nnc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)c2C)no1 ZINC000284744734 537506542 /nfs/dbraw/zinc/50/65/42/537506542.db2.gz CQEJCTCHHNXFIR-NSHDSACASA-N 1 0 362.438 1.322 50 0 FDAARO CN(Cc1nc(-c2ccccn2)no1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222934613 537514583 /nfs/dbraw/zinc/51/45/83/537514583.db2.gz OPIKOJQHCGWLIC-UHFFFAOYSA-N 1 0 352.402 1.345 50 0 FDAARO CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CCc3cc(Cl)no3)C2)n1C ZINC000223903438 537536257 /nfs/dbraw/zinc/53/62/57/537536257.db2.gz FNHQQFDQMRREHK-XYPYZODXSA-N 1 0 366.853 1.513 50 0 FDAARO C[NH+](C)CC[C@@](C)(O)CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000225426208 537547532 /nfs/dbraw/zinc/54/75/32/537547532.db2.gz OPIFDWCWXMBYLF-UYAOXDASSA-N 1 0 363.502 1.096 50 0 FDAARO CCn1c(C)ccc(C(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c1=O ZINC000299777129 537594138 /nfs/dbraw/zinc/59/41/38/537594138.db2.gz OQBICEYKNFQYSN-SFHVURJKSA-N 1 0 358.486 1.029 50 0 FDAARO CS(=O)(=O)Nc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000299774568 537594296 /nfs/dbraw/zinc/59/42/96/537594296.db2.gz HHCUXPNGQQDOQN-HNNXBMFYSA-N 1 0 370.475 1.026 50 0 FDAARO COc1cccc(C(=O)NCc2ncc(Cl)cn2)c1OCCC[NH3+] ZINC000299777477 537595461 /nfs/dbraw/zinc/59/54/61/537595461.db2.gz JYVWKKYOUXNDBO-UHFFFAOYSA-N 1 0 350.806 1.796 50 0 FDAARO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cnc1C ZINC000241124352 537646901 /nfs/dbraw/zinc/64/69/01/537646901.db2.gz JHOCEAWVXUXATA-GFCCVEGCSA-N 1 0 357.476 1.431 50 0 FDAARO Cn1c2cc(C(=O)N[C@@H]([C@H]3C[C@H](O)C3)C3CC[NH2+]CC3)ccc2oc1=O ZINC000244601807 537647743 /nfs/dbraw/zinc/64/77/43/537647743.db2.gz DSAYVIUDTAJXKA-CKEIUWERSA-N 1 0 359.426 1.000 50 0 FDAARO CCc1nnc(NC(=O)CC[NH+]2CCC3(CC2)OCCC[C@@H]3O)s1 ZINC000244633361 537648956 /nfs/dbraw/zinc/64/89/56/537648956.db2.gz GBNSGUYPBOUARC-LBPRGKRZSA-N 1 0 354.476 1.435 50 0 FDAARO Cc1ccc(C(=O)N2CCC(NC(=O)CN3CC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000244734899 537652686 /nfs/dbraw/zinc/65/26/86/537652686.db2.gz NNQUPXUGNDWAIE-IBGZPJMESA-N 1 0 372.513 1.352 50 0 FDAARO CC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575607592 550466184 /nfs/dbraw/zinc/46/61/84/550466184.db2.gz NWLHTJQHRDUDOC-KRWDZBQOSA-N 1 0 366.483 1.668 50 0 FDAARO C[S@](=O)C1(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CC[NH2+]CC1 ZINC000602520051 553597589 /nfs/dbraw/zinc/59/75/89/553597589.db2.gz GNVOJBIYHRVIQF-MQNRADLISA-N 1 0 361.467 1.575 50 0 FDAARO O=C(c1nc2cc(F)ccc2[nH]1)N1CCCO[C@H](CN2CCOCC2)C1 ZINC000215060860 568047622 /nfs/dbraw/zinc/04/76/22/568047622.db2.gz IMRNGZPHYWNBKU-CQSZACIVSA-N 1 0 362.405 1.265 50 0 FDAARO O=C(NCCS(=O)(=O)N1CCCC1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000215682899 568083510 /nfs/dbraw/zinc/08/35/10/568083510.db2.gz DTJBQYFGTAFDQP-QGZVFWFLSA-N 1 0 365.499 1.309 50 0 FDAARO O=C(NCc1ccccc1F)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000390827538 568291420 /nfs/dbraw/zinc/29/14/20/568291420.db2.gz HKRCNRRIJGCQIJ-UHFFFAOYSA-N 1 0 352.373 1.554 50 0 FDAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)COc1cccc(Cl)c1 ZINC000222604442 568544448 /nfs/dbraw/zinc/54/44/48/568544448.db2.gz XVOHHMJPUOYINH-HZPDHXFCSA-N 1 0 356.850 1.571 50 0 FDAARO CCn1nc(C)c(CNC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1C ZINC000426411548 570450355 /nfs/dbraw/zinc/45/03/55/570450355.db2.gz SUELRJCEHLVRQF-QGZVFWFLSA-N 1 0 363.506 1.916 50 0 FDAARO COC(=O)[C@@]1(NC(=O)c2cccn2C)CCC[N@H+](Cc2ccccc2)C1 ZINC000119627068 570514548 /nfs/dbraw/zinc/51/45/48/570514548.db2.gz HRCOOODJPAALOG-HXUWFJFHSA-N 1 0 355.438 1.963 50 0 FDAARO C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H](C)N1 ZINC000109067123 570911541 /nfs/dbraw/zinc/91/15/41/570911541.db2.gz JPZUOMMHMLYUDK-AOOOYVTPSA-N 1 0 366.892 1.114 50 0 FDAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc21 ZINC000261734025 571019484 /nfs/dbraw/zinc/01/94/84/571019484.db2.gz RZBUXELJFYHWRE-SWLSCSKDSA-N 1 0 351.472 1.344 50 0 FDAARO Nc1nc(NCc2nncn2CCc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244718703 571115482 /nfs/dbraw/zinc/11/54/82/571115482.db2.gz LPJHYMRZPMHPQH-GASCZTMLSA-N 1 0 364.457 1.710 50 0 FDAARO CN1C(=O)N(C)C2(CC[NH+](Cc3cncn3Cc3ccccc3)CC2)C1=O ZINC000244882420 571118773 /nfs/dbraw/zinc/11/87/73/571118773.db2.gz XRKJYMNUXZQALI-UHFFFAOYSA-N 1 0 367.453 1.790 50 0 FDAARO Cc1nc(CC2CCN(C(=O)CSCC[NH+]3CCCC3)CC2)no1 ZINC000252490784 571132944 /nfs/dbraw/zinc/13/29/44/571132944.db2.gz LAXUGGAXYOTGAL-UHFFFAOYSA-N 1 0 352.504 1.988 50 0 FDAARO Cc1cccnc1CN1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)CC1 ZINC000252518167 571133771 /nfs/dbraw/zinc/13/37/71/571133771.db2.gz AFCKANOCWGGTJS-IYBDPMFKSA-N 1 0 355.490 1.041 50 0 FDAARO Nc1cc(-c2ccc(C(=O)NCc3cc4n(n3)CCC[NH2+]C4)cc2)ncn1 ZINC000426421897 571137643 /nfs/dbraw/zinc/13/76/43/571137643.db2.gz OIPIMACTHNIRNS-UHFFFAOYSA-N 1 0 363.425 1.346 50 0 FDAARO Cc1n[nH]c(C)c1CCCNC(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000426421364 571137747 /nfs/dbraw/zinc/13/77/47/571137747.db2.gz XQFMZUBMRVJJMM-UHFFFAOYSA-N 1 0 372.477 1.172 50 0 FDAARO Cc1c[nH+]ccc1NCCNC(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299771574 571196033 /nfs/dbraw/zinc/19/60/33/571196033.db2.gz UGODZADUXUMTRS-QGZVFWFLSA-N 1 0 360.458 1.336 50 0 FDAARO COc1cccc(-c2n[nH]cc2C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c1 ZINC000299772454 571196280 /nfs/dbraw/zinc/19/62/80/571196280.db2.gz YEQPCDGKPIUAFV-IRXDYDNUSA-N 1 0 356.426 1.678 50 0 FDAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC(n3cnnc3)CC2)c1 ZINC000299781271 571197888 /nfs/dbraw/zinc/19/78/88/571197888.db2.gz DLFORBGDGRJZFV-UHFFFAOYSA-N 1 0 359.430 1.492 50 0 FDAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccncc1 ZINC000299780090 571198013 /nfs/dbraw/zinc/19/80/13/571198013.db2.gz RTKLVZVLVIDUOG-GOSISDBHSA-N 1 0 372.469 1.056 50 0 FDAARO CCCNC(=O)c1ccc(Cl)c(NC(=O)NC[C@]2(O)CCC[NH2+]C2)c1 ZINC000299782965 571198691 /nfs/dbraw/zinc/19/86/91/571198691.db2.gz YPONBDJHNQJCQM-KRWDZBQOSA-N 1 0 368.865 1.716 50 0 FDAARO CN(CC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1)Cc1ccc(F)cc1 ZINC000299783671 571198939 /nfs/dbraw/zinc/19/89/39/571198939.db2.gz WKCMZUXVDNLGNE-FQEVSTJZSA-N 1 0 374.504 1.496 50 0 FDAARO COc1ccc([C@@H]([NH3+])CC(=O)NCCc2nc(C)cc(C)n2)cc1OC ZINC000299788709 571200073 /nfs/dbraw/zinc/20/00/73/571200073.db2.gz ZRCKMYMANQTQOJ-HNNXBMFYSA-N 1 0 358.442 1.859 50 0 FDAARO COc1cccc(SCC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000299797050 571202389 /nfs/dbraw/zinc/20/23/89/571202389.db2.gz PHEUFZFMLMTERD-CYBMUJFWSA-N 1 0 351.472 1.101 50 0 FDAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)C1 ZINC000299799926 571202897 /nfs/dbraw/zinc/20/28/97/571202897.db2.gz WKMPBRITZPOVRR-NSHDSACASA-N 1 0 366.393 1.199 50 0 FDAARO Cc1nnc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000426361223 571215559 /nfs/dbraw/zinc/21/55/59/571215559.db2.gz QMYZVZHHYUSCGE-UHFFFAOYSA-N 1 0 356.474 1.963 50 0 FDAARO Cc1cccc(CNC(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000426376610 571216771 /nfs/dbraw/zinc/21/67/71/571216771.db2.gz ZYTJUAXABRMMRK-KRWDZBQOSA-N 1 0 359.518 1.948 50 0 FDAARO COc1ccnc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)n1 ZINC000426376598 571216839 /nfs/dbraw/zinc/21/68/39/571216839.db2.gz YGYXNKGYXGLPPW-KRWDZBQOSA-N 1 0 370.453 1.729 50 0 FDAARO C[NH2+]Cc1nnc(SCCS(C)(=O)=O)n1-c1cccc(Cl)c1 ZINC000426408950 571221337 /nfs/dbraw/zinc/22/13/37/571221337.db2.gz NHQUDMGYYJUFCJ-UHFFFAOYSA-N 1 0 360.892 1.777 50 0 FDAARO CCc1noc(CCNC(=O)N2CCC([NH+]3CCSCC3)CC2)n1 ZINC000426445451 571226187 /nfs/dbraw/zinc/22/61/87/571226187.db2.gz GGVIFPWTUFSWTK-UHFFFAOYSA-N 1 0 353.492 1.397 50 0 FDAARO CC1(C)CC(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)CC(C)(C)[NH2+]1 ZINC000426484858 571227761 /nfs/dbraw/zinc/22/77/61/571227761.db2.gz RJVHJIVTXSMUCY-UHFFFAOYSA-N 1 0 361.490 1.365 50 0 FDAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000674309002 571258291 /nfs/dbraw/zinc/25/82/91/571258291.db2.gz OEULHCBWEJIJON-UHFFFAOYSA-N 1 0 361.490 1.255 50 0 FDAARO O=C(NCc1ccco1)C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000253406952 571312266 /nfs/dbraw/zinc/31/22/66/571312266.db2.gz VIQIUSZYZLCJQD-CQSZACIVSA-N 1 0 351.472 1.230 50 0 FDAARO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000253417692 571312511 /nfs/dbraw/zinc/31/25/11/571312511.db2.gz AFXLTDYXZXTBNY-FGTMMUONSA-N 1 0 365.518 1.473 50 0 FDAARO Cc1cc(N2CCCN(C(=O)N[C@@H](C(=O)N(C)C)C(C)C)CC2)cc[nH+]1 ZINC000670440691 571348576 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COCCOCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCCCC1)CCO2 ZINC000169784587 672041641 /nfs/dbraw/zinc/04/16/41/672041641.db2.gz SNXWYEPKYSCSDA-KRWDZBQOSA-N 1 0 354.491 1.676 50 0 FDAARO C[NH+](C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1NC(=O)Cc1ccsc1 ZINC000169790869 672042671 /nfs/dbraw/zinc/04/26/71/672042671.db2.gz YFBUVSAUXUKBDU-QZTJIDSGSA-N 1 0 358.511 1.864 50 0 FDAARO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193995310 672377194 /nfs/dbraw/zinc/37/71/94/672377194.db2.gz ADIVSBQYRKEEPY-ZDUSSCGKSA-N 1 0 350.444 1.316 50 0 FDAARO O=C(c1ccccc1N1CCOCC1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091486706 771510289 /nfs/dbraw/zinc/51/02/89/771510289.db2.gz FNYUJGVBILUYMA-QZTJIDSGSA-N 1 0 373.497 1.300 50 0 FDAARO Cn1nc2n(c1=O)CC[C@H]([N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000257188240 793969194 /nfs/dbraw/zinc/96/91/94/793969194.db2.gz DTBVIOWLPGCNOD-MRXNPFEDSA-N 1 0 370.432 1.948 50 0 FDAARO COCCc1noc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]2CO)n1 ZINC000257194220 794044085 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C[NH+]1CCC(N2CCN(C(=O)c3cn4nc(Cl)ccc4n3)CC2)CC1 ZINC000065228507 522794074 /nfs/dbraw/zinc/79/40/74/522794074.db2.gz YBVONLYPMBOIFU-UHFFFAOYSA-N 1 0 362.865 1.235 50 0 FDAARO C[N@H+](CCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1 ZINC000065313630 522805106 /nfs/dbraw/zinc/80/51/06/522805106.db2.gz LTPZAOYDLFDVNZ-HNNXBMFYSA-N 1 0 361.490 1.367 50 0 FDAARO Cn1ccnc1COc1ccc(C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000065475459 522827466 /nfs/dbraw/zinc/82/74/66/522827466.db2.gz AEAKGLAXYISFPR-UHFFFAOYSA-N 1 0 352.442 1.869 50 0 FDAARO COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCC[NH+](C)C)n2)c1 ZINC000049546151 522846035 /nfs/dbraw/zinc/84/60/35/522846035.db2.gz ADADXWGEOCQICT-UHFFFAOYSA-N 1 0 366.805 1.392 50 0 FDAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000077104323 523248152 /nfs/dbraw/zinc/24/81/52/523248152.db2.gz WMXGOTDXWDIBAV-OAHLLOKOSA-N 1 0 365.499 1.339 50 0 FDAARO COc1ccc(Cl)cc1C(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077303612 523288903 /nfs/dbraw/zinc/28/89/03/523288903.db2.gz 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ZINC000077471207 523353019 /nfs/dbraw/zinc/35/30/19/523353019.db2.gz MKUMGCCFBOKDNV-OAHLLOKOSA-N 1 0 367.490 1.424 50 0 FDAARO O=C1CC[C@@]2(CCC[N@@H+](CCOCCO)C2)CN1CCc1ccccc1 ZINC000077490156 523362582 /nfs/dbraw/zinc/36/25/82/523362582.db2.gz OHALQMYBRRSKHP-OAQYLSRUSA-N 1 0 360.498 1.943 50 0 FDAARO O=C(c1cccc(OC(F)F)c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077505216 523365508 /nfs/dbraw/zinc/36/55/08/523365508.db2.gz FZSOCLKQSGPTTQ-SFHVURJKSA-N 1 0 370.396 1.587 50 0 FDAARO CCc1nnc(SCC(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)[nH]1 ZINC000055182891 523762196 /nfs/dbraw/zinc/76/21/96/523762196.db2.gz SSYYNSUGABSXAK-CYBMUJFWSA-N 1 0 355.508 1.010 50 0 FDAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000079567504 523767532 /nfs/dbraw/zinc/76/75/32/523767532.db2.gz BWAKTMFEMPUSKT-CQSZACIVSA-N 1 0 370.457 1.068 50 0 FDAARO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)no1 ZINC000055358401 523802007 /nfs/dbraw/zinc/80/20/07/523802007.db2.gz BVHMFKZLYLOHET-UHFFFAOYSA-N 1 0 350.444 1.882 50 0 FDAARO COC(=O)c1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000082097120 524208919 /nfs/dbraw/zinc/20/89/19/524208919.db2.gz OBEFADGORQDRHE-MRXNPFEDSA-N 1 0 373.497 1.961 50 0 FDAARO O=C(COc1ccccc1)N1CC[NH+]([C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000082127175 524214177 /nfs/dbraw/zinc/21/41/77/524214177.db2.gz NCGBISNRPGRODB-GOSISDBHSA-N 1 0 374.481 1.938 50 0 FDAARO CC(C)[NH+]1CCC(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)CC1 ZINC000082137587 524217220 /nfs/dbraw/zinc/21/72/20/524217220.db2.gz WWYIQSXDTGJDPL-UHFFFAOYSA-N 1 0 362.522 1.590 50 0 FDAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 ZINC000020110011 524406664 /nfs/dbraw/zinc/40/66/64/524406664.db2.gz VWXGQNUVKREGGT-AWEZNQCLSA-N 1 0 354.458 1.627 50 0 FDAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc(OC)c1)CC2 ZINC000091305448 524689680 /nfs/dbraw/zinc/68/96/80/524689680.db2.gz IJEROMVOKLMCJO-UHFFFAOYSA-N 1 0 355.442 1.823 50 0 FDAARO Cc1nn(C)c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000091325450 524691383 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1.576 50 0 FDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 ZINC000091586037 524731635 /nfs/dbraw/zinc/73/16/35/524731635.db2.gz OGFRLEKJDAAIMW-NVXWUHKLSA-N 1 0 356.463 1.698 50 0 FDAARO CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000091594117 524736367 /nfs/dbraw/zinc/73/63/67/524736367.db2.gz XFXBHKXRQGUZFD-MRXNPFEDSA-N 1 0 354.472 1.101 50 0 FDAARO CC[N@H+](C)CC(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 ZINC000091663816 524757949 /nfs/dbraw/zinc/75/79/49/524757949.db2.gz FYYAOPRLATYTSD-UHFFFAOYSA-N 1 0 373.501 1.468 50 0 FDAARO CN(C)C(=O)c1cncc(N[C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C2CC2)n1 ZINC000091713568 524765614 /nfs/dbraw/zinc/76/56/14/524765614.db2.gz VTBOGEXCMGFJFO-WBVHZDCISA-N 1 0 359.474 1.480 50 0 FDAARO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 ZINC000091808696 524789329 /nfs/dbraw/zinc/78/93/29/524789329.db2.gz ONNOHIBJWVNQHA-MRXNPFEDSA-N 1 0 366.473 1.792 50 0 FDAARO c1ncn(Cc2nnc(C3CC[NH+](C4CCOCC4)CC3)n2C2CC2)n1 ZINC000091819065 524790816 /nfs/dbraw/zinc/79/08/16/524790816.db2.gz JQNWSFZFEFIRPL-UHFFFAOYSA-N 1 0 357.462 1.611 50 0 FDAARO NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000091819023 524791088 /nfs/dbraw/zinc/79/10/88/524791088.db2.gz KLWVRYPEUOZRJM-DZGCQCFKSA-N 1 0 359.405 1.404 50 0 FDAARO Cc1ccnn1CC(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091859004 524801553 /nfs/dbraw/zinc/80/15/53/524801553.db2.gz BQKXAWKDPSQLER-QGZVFWFLSA-N 1 0 373.501 1.127 50 0 FDAARO Cn1cc(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)ccc1=O ZINC000091906787 524808488 /nfs/dbraw/zinc/80/84/88/524808488.db2.gz MVUMFWKPCLZDTH-UHFFFAOYSA-N 1 0 357.458 1.163 50 0 FDAARO Cc1[nH+]c(N)nc(N2CCc3nnc(Cc4cccnc4)n3CC2)c1C ZINC000091934824 524814863 /nfs/dbraw/zinc/81/48/63/524814863.db2.gz QIBGKDVLZJKVGY-UHFFFAOYSA-N 1 0 350.430 1.316 50 0 FDAARO C[NH+](C)Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c1 ZINC000091966559 524820171 /nfs/dbraw/zinc/82/01/71/524820171.db2.gz VODJAXPOQLOZSO-UHFFFAOYSA-N 1 0 373.497 1.585 50 0 FDAARO Nc1nc(NC[C@H](c2cccnc2)N2CCOCC2)c2c([nH+]1)CCCC2 ZINC000092002907 524827882 /nfs/dbraw/zinc/82/78/82/524827882.db2.gz BWSHFSVNGHACSG-QGZVFWFLSA-N 1 0 354.458 1.818 50 0 FDAARO O=C(C[NH+]1CCCCCCC1)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000092045564 524832393 /nfs/dbraw/zinc/83/23/93/524832393.db2.gz DYYYUJJECWRLTQ-HXUWFJFHSA-N 1 0 365.518 1.476 50 0 FDAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000092047084 524836323 /nfs/dbraw/zinc/83/63/23/524836323.db2.gz SDBASCLQEBKALE-CALCHBBNSA-N 1 0 358.438 1.944 50 0 FDAARO Cc1oc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1S(=O)(=O)N1CCCC1 ZINC000152645265 524959030 /nfs/dbraw/zinc/95/90/30/524959030.db2.gz DJBVYXGUECZVPL-AWEZNQCLSA-N 1 0 369.487 1.492 50 0 FDAARO C[N@H+](C[C@@H](O)CN1CCCC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000175784795 525008611 /nfs/dbraw/zinc/00/86/11/525008611.db2.gz IXXTWSAXMDPHLS-LJQANCHMSA-N 1 0 360.502 1.004 50 0 FDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000095346209 525026745 /nfs/dbraw/zinc/02/67/45/525026745.db2.gz KBKWSRPSKIHVNL-CJRVDHQOSA-N 1 0 361.829 1.879 50 0 FDAARO Cc1ocnc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095354794 525029718 /nfs/dbraw/zinc/02/97/18/525029718.db2.gz HZLRYBAAINHICS-IBGZPJMESA-N 1 0 360.458 1.532 50 0 FDAARO CCc1nnsc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095353614 525030108 /nfs/dbraw/zinc/03/01/08/525030108.db2.gz YWDDUPWHBVLIQE-CYBMUJFWSA-N 1 0 362.503 1.878 50 0 FDAARO CCc1nnsc1C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000095367424 525042539 /nfs/dbraw/zinc/04/25/39/525042539.db2.gz YXNNGHBFTJUBPP-HIFRSBDPSA-N 1 0 368.503 1.036 50 0 FDAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000095371328 525044603 /nfs/dbraw/zinc/04/46/03/525044603.db2.gz QVUXZGDLPQRZNT-KRWDZBQOSA-N 1 0 352.504 1.718 50 0 FDAARO Cc1ccc2[nH]c(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)nc2c1C ZINC000095369787 525044744 /nfs/dbraw/zinc/04/47/44/525044744.db2.gz QTVBCKLUAXDKDM-CQSZACIVSA-N 1 0 357.458 1.206 50 0 FDAARO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1Cc2ccccc2C1 ZINC000095376364 525048615 /nfs/dbraw/zinc/04/86/15/525048615.db2.gz QJVQEHJSKWRJBR-SFHVURJKSA-N 1 0 357.498 1.803 50 0 FDAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000095386928 525060499 /nfs/dbraw/zinc/06/04/99/525060499.db2.gz DNEJTVHEWLLUHY-KRWDZBQOSA-N 1 0 368.485 1.523 50 0 FDAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000095387948 525063152 /nfs/dbraw/zinc/06/31/52/525063152.db2.gz MRGANXYIUAGQIC-INIZCTEOSA-N 1 0 370.453 1.981 50 0 FDAARO Cc1cc(N2CCCN(C(=O)CN(C)Cc3ccncc3)CC2)cc[nH+]1 ZINC000082120809 525065302 /nfs/dbraw/zinc/06/53/02/525065302.db2.gz OVGWKBZNDHCGOQ-UHFFFAOYSA-N 1 0 353.470 1.956 50 0 FDAARO O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095500790 525082070 /nfs/dbraw/zinc/08/20/70/525082070.db2.gz VCIFNDPZMYCJBN-CYBMUJFWSA-N 1 0 368.397 1.648 50 0 FDAARO O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095500789 525082326 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Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)nn1-c1c(F)cccc1F ZINC000252572633 537250976 /nfs/dbraw/zinc/25/09/76/537250976.db2.gz ZOWISTBRFAFZNA-UHFFFAOYSA-N 1 0 363.412 1.436 50 0 FDAARO Cc1noc([C@@]23CN(Cc4cccnc4)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257189657 537252921 /nfs/dbraw/zinc/25/29/21/537252921.db2.gz JOBWORUBFQVRKK-HKUYNNGSSA-N 1 0 357.458 1.231 50 0 FDAARO O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000215425075 537437477 /nfs/dbraw/zinc/43/74/77/537437477.db2.gz IKEUMHVYNDWVNF-QFBILLFUSA-N 1 0 374.444 1.884 50 0 FDAARO Cc1ccccc1OC[C@@H](O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000221387456 537499679 /nfs/dbraw/zinc/49/96/79/537499679.db2.gz WZFXYGWNHMRWOB-LJQANCHMSA-N 1 0 369.465 1.911 50 0 FDAARO CC[C@@]1(O)C(=O)N(c2cccc(C(=O)NCC3CC[NH+](C)CC3)c2)N=C1C ZINC000222419704 537508639 /nfs/dbraw/zinc/50/86/39/537508639.db2.gz HOTVRJGLOSTENY-FQEVSTJZSA-N 1 0 372.469 1.622 50 0 FDAARO O=S(=O)(Cc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222694959 537510539 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C[NH+](C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391374 211742111 /nfs/dbraw/zinc/74/21/11/211742111.db2.gz CLWZOERAOTXBIF-UHFFFAOYSA-N 1 0 352.373 1.807 50 0 FDAARO Cc1cc(C)n2ncc(C[NH+]3CCC(Cn4cc(CO)nn4)CC3)c2n1 ZINC000019225915 220240730 /nfs/dbraw/zinc/24/07/30/220240730.db2.gz UITRZINFRCVJJI-UHFFFAOYSA-N 1 0 355.446 1.342 50 0 FDAARO COCc1ccc(OC)c(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000286165013 183003366 /nfs/dbraw/zinc/00/33/66/183003366.db2.gz YFFYCECIWPHTEP-JSGCOSHPSA-N 1 0 354.472 1.745 50 0 FDAARO [NH3+]C[C@H]1CCN(c2cnn(Cc3cc(-c4ccncc4)no3)c(=O)c2)C1 ZINC000023310698 211384192 /nfs/dbraw/zinc/38/41/92/211384192.db2.gz XJKZZCPIGAPDHV-CYBMUJFWSA-N 1 0 352.398 1.127 50 0 FDAARO CCC[NH+]1CCN(CCNC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000023114607 211376078 /nfs/dbraw/zinc/37/60/78/211376078.db2.gz PFSICYJIKJTSEQ-UHFFFAOYSA-N 1 0 350.463 1.853 50 0 FDAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(CCO)CC2)c2c1cccc2Cl ZINC000022918317 211371746 /nfs/dbraw/zinc/37/17/46/211371746.db2.gz 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50 0 FDAARO Cc1cc(NCCc2nc(-c3ccccn3)no2)nc(N2CCOCC2)[nH+]1 ZINC000065376199 221206696 /nfs/dbraw/zinc/20/66/96/221206696.db2.gz JQIYYKWNLWGNTB-UHFFFAOYSA-N 1 0 367.413 1.721 50 0 FDAARO Cc1nc2c(c(NCCn3ncc4ccccc4c3=O)n1)CC[NH2+]CC2 ZINC000065468728 221223465 /nfs/dbraw/zinc/22/34/65/221223465.db2.gz JUNFFIHJDNRRDY-UHFFFAOYSA-N 1 0 350.426 1.295 50 0 FDAARO CN1C[C@H](Nc2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)CCC1=O ZINC000065528676 221230763 /nfs/dbraw/zinc/23/07/63/221230763.db2.gz PRGWEFXRCPHVKW-CYBMUJFWSA-N 1 0 352.442 1.260 50 0 FDAARO C[NH2+][C@@H](CO)C(=O)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067457910 221254923 /nfs/dbraw/zinc/25/49/23/221254923.db2.gz MLRUXSQFCCPGGR-HNNXBMFYSA-N 1 0 369.400 1.474 50 0 FDAARO CCn1ncc(Cl)c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067513625 221257110 /nfs/dbraw/zinc/25/71/10/221257110.db2.gz JEENDHVMLACQIV-UHFFFAOYSA-N 1 0 362.865 1.633 50 0 FDAARO CC(C)O[C@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C[C@@H]1O ZINC000067560018 221259337 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FDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H]3C(=O)OC)cnn2c1 ZINC000067855373 221295417 /nfs/dbraw/zinc/29/54/17/221295417.db2.gz SXLWJDPKIDFOFQ-HNNXBMFYSA-N 1 0 359.430 1.349 50 0 FDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)cnn2c1 ZINC000067919795 221303882 /nfs/dbraw/zinc/30/38/82/221303882.db2.gz KVWPCEKAMHXIJN-CVEARBPZSA-N 1 0 356.474 1.538 50 0 FDAARO CN(Cc1cc(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)no1)Cc1ccccc1 ZINC000067908416 221304151 /nfs/dbraw/zinc/30/41/51/221304151.db2.gz SNNHQKYKKCUYDE-SJORKVTESA-N 1 0 372.469 1.444 50 0 FDAARO COc1ccc(-n2cccn2)c(C[NH+]2CCC3(CC2)C(=O)NCCN3C)c1 ZINC000067974673 221310026 /nfs/dbraw/zinc/31/00/26/221310026.db2.gz ZHYJJAZXEJLGHY-UHFFFAOYSA-N 1 0 369.469 1.277 50 0 FDAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2c(C)nn(C)c2C)cc1 ZINC000071282700 221338627 /nfs/dbraw/zinc/33/86/27/221338627.db2.gz FGXZGJJOVBGRGK-INIZCTEOSA-N 1 0 361.442 1.695 50 0 FDAARO CN(Cc1c(C(=O)N2CCOCC2)nc2ccccn21)C1CC[NH+](C)CC1 ZINC000071738604 221356749 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1.907 50 0 FDAARO Cc1ccc2c(c1)N(CC(=O)N1C[C@H]([NH3+])[C@@H](c3ccccc3)C1)C(=O)CO2 ZINC000091391342 132201048 /nfs/dbraw/zinc/20/10/48/132201048.db2.gz GDWCTNXXGFLQNK-SJORKVTESA-N 1 0 365.433 1.674 50 0 FDAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(N)nc(N)n1)CC2 ZINC000091433831 132201931 /nfs/dbraw/zinc/20/19/31/132201931.db2.gz DBIRIAFMIWWAGD-UHFFFAOYSA-N 1 0 356.478 1.518 50 0 FDAARO CNc1cc(C)[nH+]c(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 ZINC000095386165 132210234 /nfs/dbraw/zinc/21/02/34/132210234.db2.gz NHMNTAZECHTLHB-CQSZACIVSA-N 1 0 367.461 1.584 50 0 FDAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000097393962 132228857 /nfs/dbraw/zinc/22/88/57/132228857.db2.gz FXAPHVWSRFSRTR-QGZVFWFLSA-N 1 0 373.497 1.932 50 0 FDAARO C[C@@H](O)C[N@@H+]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)C1 ZINC000170086239 132263980 /nfs/dbraw/zinc/26/39/80/132263980.db2.gz BJURPTWZAIJLLU-ZIAGYGMSSA-N 1 0 368.441 1.000 50 0 FDAARO CCOc1ccccc1CN1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1CCO 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O=C(CC[N@H+]1CC[C@@](O)(c2ccccc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244883979 571118972 /nfs/dbraw/zinc/11/89/72/571118972.db2.gz YDBSAQFVCNZLSZ-FQEVSTJZSA-N 1 0 366.421 1.778 50 0 FDAARO COCC[NH+]1CCC(CNS(=O)(=O)Cc2noc3ccccc23)CC1 ZINC000185774368 571124891 /nfs/dbraw/zinc/12/48/91/571124891.db2.gz ZBDGIUUKBLECBM-UHFFFAOYSA-N 1 0 367.471 1.606 50 0 FDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3cnc(N)nc3)cc2)C1 ZINC000426722655 571135062 /nfs/dbraw/zinc/13/50/62/571135062.db2.gz PULRUAHWRWFIPR-LJQANCHMSA-N 1 0 355.442 1.255 50 0 FDAARO Cc1cc(=O)[nH]c(NCCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N(C)C)n2)n1 ZINC000253535788 571137480 /nfs/dbraw/zinc/13/74/80/571137480.db2.gz QFCWBURPPTYCJF-TXEJJXNPSA-N 1 0 358.450 1.075 50 0 FDAARO Cn1cc(CCNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000426380387 571217205 /nfs/dbraw/zinc/21/72/05/571217205.db2.gz LPHXOYSRRBZHIN-FQEVSTJZSA-N 1 0 367.497 1.847 50 0 FDAARO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000426406038 571220970 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O=C(NCCC[NH+]1CCC(O)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000426683738 571235004 /nfs/dbraw/zinc/23/50/04/571235004.db2.gz DVDHXNVODJMBSR-UHFFFAOYSA-N 1 0 374.529 1.403 50 0 FDAARO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426689809 571235216 /nfs/dbraw/zinc/23/52/16/571235216.db2.gz DENPKZGPLPFAIS-GOSISDBHSA-N 1 0 351.397 1.525 50 0 FDAARO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000252512795 571281894 /nfs/dbraw/zinc/28/18/94/571281894.db2.gz VTPBZGLNDAUDQL-OLZOCXBDSA-N 1 0 365.865 1.584 50 0 FDAARO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC ZINC000253417588 571312774 /nfs/dbraw/zinc/31/27/74/571312774.db2.gz BHKHSGREXIAYIP-HOTGVXAUSA-N 1 0 359.536 1.571 50 0 FDAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000670451848 571352584 /nfs/dbraw/zinc/35/25/84/571352584.db2.gz KUIRMDBOLCEGDW-MRXNPFEDSA-N 1 0 358.442 1.776 50 0 FDAARO CC(C)/C=C/C[N@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012328543 670612276 /nfs/dbraw/zinc/61/22/76/670612276.db2.gz YHLHALKOMOHLIU-FYCOFBDGSA-N 1 0 369.535 1.595 50 0 FDAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCSCC3)C2=O)c1 ZINC000014963324 670626894 /nfs/dbraw/zinc/62/68/94/670626894.db2.gz AHJBYNKHHBRFQI-SFHVURJKSA-N 1 0 368.474 1.737 50 0 FDAARO O=C(c1cncc(Br)c1)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789450 672042269 /nfs/dbraw/zinc/04/22/69/672042269.db2.gz IRMGLSBCWLEQBE-GFCCVEGCSA-N 1 0 354.248 1.278 50 0 FDAARO Cc1noc(C)c1S(=O)(=O)N1CC([N@@H+](CC(C)C)C2CCOCC2)C1 ZINC000169791770 672042601 /nfs/dbraw/zinc/04/26/01/672042601.db2.gz OXSNZXLZVLZWBF-UHFFFAOYSA-N 1 0 371.503 1.801 50 0 FDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)CCO1 ZINC000172258932 672065612 /nfs/dbraw/zinc/06/56/12/672065612.db2.gz DWQSDSHTGPUDLK-LBPRGKRZSA-N 1 0 366.487 1.933 50 0 FDAARO Cn1c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2nc1N1CCOCC1 ZINC000095360167 784286471 /nfs/dbraw/zinc/28/64/71/784286471.db2.gz PZFVPYUXMGVWMU-CVEARBPZSA-N 1 0 369.469 1.376 50 0 FDAARO Cc1cc(C(=O)N2CC(Cn3c(C)c[nH+]c3C3CCOCC3)C2)n(C)n1 ZINC000581807491 787009502 /nfs/dbraw/zinc/00/95/02/787009502.db2.gz ICIBTHAVHYOFJX-UHFFFAOYSA-N 1 0 357.458 1.900 50 0 FDAARO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cc(C4(O)CCCC4)nn3)C2)n(C)n1 ZINC000020538319 792500247 /nfs/dbraw/zinc/50/02/47/792500247.db2.gz JDJAQAQBEDURRJ-MRXNPFEDSA-N 1 0 358.490 1.994 50 0 FDAARO CCC[NH+]1CCC(c2nnc3n2CCN(C(=O)c2ccncn2)C3)CC1 ZINC000675009214 795199538 /nfs/dbraw/zinc/19/95/38/795199538.db2.gz SPRIUQHKIWLFNK-UHFFFAOYSA-N 1 0 355.446 1.314 50 0 FDAARO C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccccn1)CCN(C(=O)C1(C)CC1)CC2 ZINC000675011950 795213007 /nfs/dbraw/zinc/21/30/07/795213007.db2.gz WXJSSOMCSDCGAL-QGZVFWFLSA-N 1 0 370.497 1.811 50 0 FDAARO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@H+](Cc1c(C)noc1C)CC2 ZINC000675020571 795239094 /nfs/dbraw/zinc/23/90/94/795239094.db2.gz DFKTWJQXUYOYDO-ZBFHGGJFSA-N 1 0 357.476 1.021 50 0 FDAARO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ncccc1Br ZINC000888101133 808212571 /nfs/dbraw/zinc/21/25/71/808212571.db2.gz IBLZSRJWOFNGRR-NSHDSACASA-N 1 0 362.293 1.901 50 0 FDAARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000119550377 808989494 /nfs/dbraw/zinc/98/94/94/808989494.db2.gz BHRWNGKFXDWWJK-KRWDZBQOSA-N 1 0 355.486 1.734 50 0 FDAARO CNC(=O)[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C1CC[NH+](C)CC1 ZINC000169783984 864513313 /nfs/dbraw/zinc/51/33/13/864513313.db2.gz WXDKXSOMRGKEAW-UONOGXRCSA-N 1 0 365.424 1.741 50 0 FDAARO Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C[NH+](C)C)nn1C ZINC000169790695 864527008 /nfs/dbraw/zinc/52/70/08/864527008.db2.gz JZAIAZCRDGVZFU-IEBWSBKVSA-N 1 0 355.486 1.521 50 0 FDAARO Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccnc1 ZINC000012442049 882028417 /nfs/dbraw/zinc/02/84/17/882028417.db2.gz NKQROYBYDNZXGP-IBGZPJMESA-N 1 0 366.465 1.739 50 0 FDAARO COc1cccc2c1OCC(C[N@@H+]1CC[C@@H](N3CCOCC3)[C@H](O)C1)=C2 ZINC000011878316 872089455 /nfs/dbraw/zinc/08/94/55/872089455.db2.gz PZETXPAUILCMCY-QZTJIDSGSA-N 1 0 360.454 1.238 50 0 FDAARO COc1ccccc1C(=O)NCc1nnc2n1CC[N@@H+](CC(C)C)CC2 ZINC000011995268 873073959 /nfs/dbraw/zinc/07/39/59/873073959.db2.gz PYJOVVZXBYABTM-UHFFFAOYSA-N 1 0 357.458 1.731 50 0 FDAARO CN(Cc1nccn1C(F)F)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330212444 887580738 /nfs/dbraw/zinc/58/07/38/887580738.db2.gz KELVAGWJJOECQB-UHFFFAOYSA-N 1 0 367.404 2.405 50 0 FDAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000063857034 901697451 /nfs/dbraw/zinc/69/74/51/901697451.db2.gz BAJVBZWNUQWJEG-MRXNPFEDSA-N 1 0 358.442 1.972 50 0 FDAARO CCC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)C1 ZINC000822921619 921032353 /nfs/dbraw/zinc/03/23/53/921032353.db2.gz GPJDGNDUGAQWLG-UHFFFAOYSA-N 1 0 370.457 1.379 50 0 FDAARO COc1ccc(OC)c(S(=O)(=O)N2CCC[N@@H+](C3CCC3)CC2)c1 ZINC000824633697 923127919 /nfs/dbraw/zinc/12/79/19/923127919.db2.gz JXMOZHADJHPLRY-UHFFFAOYSA-N 1 0 354.472 1.953 50 0 FDAARO COc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cnn(C)c2)CCO3)cn1 ZINC000824747808 923204084 /nfs/dbraw/zinc/20/40/84/923204084.db2.gz BOVUQWHTEFNPSS-UHFFFAOYSA-N 1 0 371.485 1.691 50 0 FDAARO COc1cccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cn[nH]n2)CCO3)c1 ZINC000824781067 923209333 /nfs/dbraw/zinc/20/93/33/923209333.db2.gz ULYWUKMXZPYSRE-UHFFFAOYSA-N 1 0 371.441 1.321 50 0 FDAARO Cc1cc(C(=O)N2CCOC3(CC[NH+]([C@@H]4CCSC4)CC3)C2)no1 ZINC000825307352 923607406 /nfs/dbraw/zinc/60/74/06/923607406.db2.gz WZOZNWMWZLUQSN-CQSZACIVSA-N 1 0 351.472 1.796 50 0 FDAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000827812457 924751854 /nfs/dbraw/zinc/75/18/54/924751854.db2.gz MJENHNXIEDFEQL-QGZVFWFLSA-N 1 0 363.506 1.237 50 0 FDAARO Cc1cc(N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)cc(C)[nH+]1 ZINC000827951776 924785633 /nfs/dbraw/zinc/78/56/33/924785633.db2.gz GVPUCOJPEPZFPC-UHFFFAOYSA-N 1 0 366.421 1.955 50 0 FDAARO O=C(c1cnccn1)N1CCC([NH2+]Cc2[nH]nc3c2CCCCC3)CC1 ZINC000828215302 924851364 /nfs/dbraw/zinc/85/13/64/924851364.db2.gz NHMUPNXVFUIUAO-UHFFFAOYSA-N 1 0 354.458 1.863 50 0 FDAARO Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)C2)cc1 ZINC000952868103 960205110 /nfs/dbraw/zinc/20/51/10/960205110.db2.gz BLMJATMZDKZUAE-IAGOWNOFSA-N 1 0 358.486 1.135 50 0 FDAARO Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)C2)cc1 ZINC000952868104 960205139 /nfs/dbraw/zinc/20/51/39/960205139.db2.gz BLMJATMZDKZUAE-IRXDYDNUSA-N 1 0 358.486 1.135 50 0 FDAARO CCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1C ZINC000952869390 960211142 /nfs/dbraw/zinc/21/11/42/960211142.db2.gz JIZQJPUGMFOYSM-AWEZNQCLSA-N 1 0 360.458 1.093 50 0 FDAARO CC1CCN(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)CC1 ZINC000952866940 960237096 /nfs/dbraw/zinc/23/70/96/960237096.db2.gz HBUCYIPINYHVOU-SFHVURJKSA-N 1 0 351.516 1.952 50 0 FDAARO Cn1nc(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)c2c1cccc2Cl ZINC000952973964 960268235 /nfs/dbraw/zinc/26/82/35/960268235.db2.gz NALKASPLRWQTGF-LLVKDONJSA-N 1 0 363.849 1.040 50 0 FDAARO CN(C)C(=O)[C@H]1CN(C(=O)C2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000952975556 960271200 /nfs/dbraw/zinc/27/12/00/960271200.db2.gz JIDMUQQEPDQPBR-MRXNPFEDSA-N 1 0 351.491 1.491 50 0 FDAARO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000952980880 960280649 /nfs/dbraw/zinc/28/06/49/960280649.db2.gz GAEDUXSYLYZALL-CVEARBPZSA-N 1 0 367.534 1.623 50 0 FDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)cc1 ZINC000952967602 960282899 /nfs/dbraw/zinc/28/28/99/960282899.db2.gz LIRSSTVOTOAVFG-INIZCTEOSA-N 1 0 365.499 1.257 50 0 FDAARO CCNC(=O)c1ccc(C)c(NC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000952986979 960311795 /nfs/dbraw/zinc/31/17/95/960311795.db2.gz HTKXYRBMBFWDLE-AWEZNQCLSA-N 1 0 370.457 1.588 50 0 FDAARO C[C@H]1CN(Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)CCO1 ZINC000188741318 1002005463 /nfs/dbraw/zinc/00/54/63/1002005463.db2.gz HARMFZFHLBTIJG-AWEZNQCLSA-N 1 0 369.469 1.206 50 0 FDAARO C[C@@H]1C[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C[C@H]1CO ZINC000190846595 1008744886 /nfs/dbraw/zinc/74/48/86/1008744886.db2.gz DEHUUGRBPKDGGT-CVEARBPZSA-N 1 0 374.481 1.904 50 0 FDAARO CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000299776711 529899670 /nfs/dbraw/zinc/89/96/70/529899670.db2.gz KQWANRYCHZFFRQ-AWEZNQCLSA-N 1 0 353.850 1.808 50 0 FDAARO COc1cc[nH+]c(N2CCN(C(=O)c3cccc4c3OCCO4)CC2)c1 ZINC000264213999 179050788 /nfs/dbraw/zinc/05/07/88/179050788.db2.gz UJVQXHXEKQZIPX-UHFFFAOYSA-N 1 0 355.394 1.824 50 0 FDAARO O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2[nH]1 ZINC000264559607 179136046 /nfs/dbraw/zinc/13/60/46/179136046.db2.gz FJNIBNOHXLAVAG-LBPRGKRZSA-N 1 0 350.444 1.105 50 0 FDAARO Cc1c(C(=O)NCc2cn3c(cccc3C)n2)nnn1C1CC[NH2+]CC1 ZINC000237840588 222911129 /nfs/dbraw/zinc/91/11/29/222911129.db2.gz QOHVXFNPDALFQO-UHFFFAOYSA-N 1 0 353.430 1.397 50 0 FDAARO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000252540567 222981391 /nfs/dbraw/zinc/98/13/91/222981391.db2.gz PMZOHFPHDANUMC-ARFHVFGLSA-N 1 0 351.472 1.242 50 0 FDAARO O=C(NCCCNc1cccnc1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000534632061 540391825 /nfs/dbraw/zinc/39/18/25/540391825.db2.gz OFTBHVRUKHJWLF-LJQANCHMSA-N 1 0 372.517 1.305 50 0 FDAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000007523966 219808391 /nfs/dbraw/zinc/80/83/91/219808391.db2.gz AXWZQBLTGPOJFZ-UHFFFAOYSA-N 1 0 373.438 1.812 50 0 FDAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000299778018 223092222 /nfs/dbraw/zinc/09/22/22/223092222.db2.gz LPDUFEHKJNBMCV-MRXNPFEDSA-N 1 0 371.481 1.858 50 0 FDAARO CCS(=O)(=O)CCNC(=O)Nc1ccccc1OC1CC[NH+](C)CC1 ZINC000299779542 223093403 /nfs/dbraw/zinc/09/34/03/223093403.db2.gz OSQIKXKWXVZMBB-UHFFFAOYSA-N 1 0 369.487 1.716 50 0 FDAARO Cn1ccnc1CN(CCO)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299779413 223093808 /nfs/dbraw/zinc/09/38/08/223093808.db2.gz UEQCDTRZFMIPKM-OTWHNJEPSA-N 1 0 368.481 1.967 50 0 FDAARO Cc1nccc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299801971 223105513 /nfs/dbraw/zinc/10/55/13/223105513.db2.gz ZMMJYFZGAIZXNH-SFHVURJKSA-N 1 0 373.501 1.546 50 0 FDAARO COc1ccc(-c2noc(C(=O)NCC[NH+]3CCCCC3)n2)cc1OC ZINC000012409330 219990954 /nfs/dbraw/zinc/99/09/54/219990954.db2.gz UPXGTXHGINOVJL-UHFFFAOYSA-N 1 0 360.414 1.970 50 0 FDAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCN3CCCC3=O)C2)c1 ZINC000012702451 220017859 /nfs/dbraw/zinc/01/78/59/220017859.db2.gz BWXSLJPQSZYZMS-KRWDZBQOSA-N 1 0 359.470 1.788 50 0 FDAARO C[NH+](C)C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000012939151 220045405 /nfs/dbraw/zinc/04/54/05/220045405.db2.gz RNBOGIPPJVBRAR-HNNXBMFYSA-N 1 0 358.442 1.270 50 0 FDAARO O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014199263 220115548 /nfs/dbraw/zinc/11/55/48/220115548.db2.gz FBUXQLOECCHKRZ-INIZCTEOSA-N 1 0 362.433 1.856 50 0 FDAARO Cn1c2ccccc2n(CC(=O)NCCC[NH+]2CCCCCC2)c(=O)c1=O ZINC000015787112 220165331 /nfs/dbraw/zinc/16/53/31/220165331.db2.gz LAFKEGVPEXDXEK-UHFFFAOYSA-N 1 0 372.469 1.083 50 0 FDAARO CC[N@H+](C)[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000287113009 183215776 /nfs/dbraw/zinc/21/57/76/183215776.db2.gz VZKGNIWOYJRHBF-KRWDZBQOSA-N 1 0 367.515 1.467 50 0 FDAARO CC[NH+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531772 220330460 /nfs/dbraw/zinc/33/04/60/220330460.db2.gz RKFKRWQUZLZOAO-UHFFFAOYSA-N 1 0 365.474 1.089 50 0 biogenic FDAARO Cn1cccc1[C@@H](CNS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000021154831 220353279 /nfs/dbraw/zinc/35/32/79/220353279.db2.gz GSDKMCAILLZJSU-OAHLLOKOSA-N 1 0 368.528 1.354 50 0 FDAARO CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CCC(N)=O)CC2)cc1 ZINC000022056456 220375813 /nfs/dbraw/zinc/37/58/13/220375813.db2.gz YPEQSCQDBMLQPY-AWEZNQCLSA-N 1 0 353.488 1.382 50 0 FDAARO C[NH+]1CCN(CCCN2C(=O)CS[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000022576999 220390456 /nfs/dbraw/zinc/39/04/56/220390456.db2.gz TWMGUAFWPIWXTQ-SFHVURJKSA-N 1 0 363.483 1.627 50 0 FDAARO COc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)c2)nn1 ZINC000299780131 533183232 /nfs/dbraw/zinc/18/32/32/533183232.db2.gz PERRXICBDKZYNA-QGZVFWFLSA-N 1 0 370.453 1.729 50 0 FDAARO COc1ccc([C@H]([NH3+])CC(=O)NCCc2nc(C)cc(C)n2)cc1OC ZINC000299788711 533189517 /nfs/dbraw/zinc/18/95/17/533189517.db2.gz ZRCKMYMANQTQOJ-OAHLLOKOSA-N 1 0 358.442 1.859 50 0 FDAARO CC[NH+](CC)[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1 ZINC000048365811 221010801 /nfs/dbraw/zinc/01/08/01/221010801.db2.gz AZDVTZZTSXUHFK-KRWDZBQOSA-N 1 0 372.473 1.179 50 0 FDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1=O ZINC000052835457 221040209 /nfs/dbraw/zinc/04/02/09/221040209.db2.gz SVDFUZPSVOVSRC-HNNXBMFYSA-N 1 0 358.442 1.270 50 0 FDAARO COCc1ncc(C[NH+]2CCC(Cc3nnc(SC)n3C)CC2)cn1 ZINC000055254613 221064401 /nfs/dbraw/zinc/06/44/01/221064401.db2.gz XJEQPGJBYPSYCF-UHFFFAOYSA-N 1 0 362.503 1.928 50 0 FDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(C)(C)NC(=O)c1cccs1 ZINC000055060522 221057123 /nfs/dbraw/zinc/05/71/23/221057123.db2.gz SAUNUWFPTNUXOG-CQSZACIVSA-N 1 0 367.515 1.826 50 0 FDAARO [NH2+]=C(NCCS(=O)(=O)N1CCc2ccccc21)NCc1ccccc1 ZINC000058185366 221104382 /nfs/dbraw/zinc/10/43/82/221104382.db2.gz LKLVUJPNALLDTD-UHFFFAOYSA-N 1 0 358.467 1.693 50 0 FDAARO C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000058185386 221104512 /nfs/dbraw/zinc/10/45/12/221104512.db2.gz AONBUQJSBSLUFW-JXFKEZNVSA-N 1 0 369.421 1.466 50 0 FDAARO CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccco1 ZINC000058202811 221106578 /nfs/dbraw/zinc/10/65/78/221106578.db2.gz VCGYUDBQNUNQQQ-OAHLLOKOSA-N 1 0 365.455 1.740 50 0 FDAARO O=C(CCN1C(=O)CCC1=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058251120 221111478 /nfs/dbraw/zinc/11/14/78/221111478.db2.gz JTZITYLEWFZBBR-KRWDZBQOSA-N 1 0 357.454 1.696 50 0 FDAARO CCC[C@@H]1CC[N@H+](Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 ZINC000063832687 221144158 /nfs/dbraw/zinc/14/41/58/221144158.db2.gz JYTPJUAOXIUIMJ-OAHLLOKOSA-N 1 0 369.535 1.887 50 0 FDAARO O=C(NCCC[NH+]1CCCC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111656 221170032 /nfs/dbraw/zinc/17/00/32/221170032.db2.gz LXZQDDLEBFCUHI-UHFFFAOYSA-N 1 0 371.397 1.242 50 0 FDAARO CCNc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C)[nH+]1 ZINC000065363498 221201858 /nfs/dbraw/zinc/20/18/58/221201858.db2.gz LLCPZCGTBSZKJK-UHFFFAOYSA-N 1 0 367.500 1.789 50 0 FDAARO Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000065363896 221202086 /nfs/dbraw/zinc/20/20/86/221202086.db2.gz POIMBEKUVSCQBJ-UHFFFAOYSA-N 1 0 353.488 1.280 50 0 FDAARO CCn1c(=O)n(Cc2ccccc2-n2cccn2)nc1C1CC[NH2+]CC1 ZINC000065380452 221206715 /nfs/dbraw/zinc/20/67/15/221206715.db2.gz FXGMJJCRCOQIIK-UHFFFAOYSA-N 1 0 352.442 1.766 50 0 FDAARO CCc1cc(N(C)CC2(CO)CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC000065375404 221206824 /nfs/dbraw/zinc/20/68/24/221206824.db2.gz UAWYWPZNILRGJE-UHFFFAOYSA-N 1 0 350.463 1.101 50 0 FDAARO Cc1nc2c(c(=O)n1C)CC[N@H+](Cc1ccccc1Cn1cccn1)CC2 ZINC000065382664 221207307 /nfs/dbraw/zinc/20/73/07/221207307.db2.gz ZEAICALEVLXBET-UHFFFAOYSA-N 1 0 363.465 1.934 50 0 FDAARO CC[NH+](CC)Cc1cc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c(C)o1 ZINC000065404549 221213172 /nfs/dbraw/zinc/21/31/72/221213172.db2.gz NHYVTAVRPAGEHT-KRWDZBQOSA-N 1 0 362.474 1.028 50 0 FDAARO Cc1cc(C)n(-c2cccc(C(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)c2)n1 ZINC000065433927 221218869 /nfs/dbraw/zinc/21/88/69/221218869.db2.gz PSXQREGCXLPCEW-LJQANCHMSA-N 1 0 353.470 1.561 50 0 FDAARO CCc1cc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)nc(N2CCOCC2)n1 ZINC000067460106 221256147 /nfs/dbraw/zinc/25/61/47/221256147.db2.gz GJNCDWBTJSIZIU-OAHLLOKOSA-N 1 0 358.417 1.944 50 0 FDAARO COc1ccc(-c2n[nH]cc2CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1 ZINC000067491390 221256920 /nfs/dbraw/zinc/25/69/20/221256920.db2.gz DNICSBCRJPXRBX-WBVHZDCISA-N 1 0 357.458 1.512 50 0 FDAARO CCc1ccccc1NC(=O)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067605017 221262301 /nfs/dbraw/zinc/26/23/01/221262301.db2.gz MYNXJKUKYQYQHQ-UHFFFAOYSA-N 1 0 358.486 1.426 50 0 FDAARO CN(C)c1nc2c(c(N(C)Cc3[nH]nc4c3CCCCC4)n1)CC[NH2+]C2 ZINC000067714623 221276394 /nfs/dbraw/zinc/27/63/94/221276394.db2.gz XNKIFNOIJCBSHK-UHFFFAOYSA-N 1 0 355.490 1.817 50 0 FDAARO CN1CCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067726907 221278021 /nfs/dbraw/zinc/27/80/21/221278021.db2.gz RGEXLBPTOOZOCU-UHFFFAOYSA-N 1 0 368.485 1.511 50 0 FDAARO Cc1nnc(CNC(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)[nH]1 ZINC000067676434 221269301 /nfs/dbraw/zinc/26/93/01/221269301.db2.gz PNNBIEXZJSUIOK-UHFFFAOYSA-N 1 0 354.414 1.706 50 0 FDAARO COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H]([NH3+])CCCCO)C3)cc1 ZINC000067712680 221273632 /nfs/dbraw/zinc/27/36/32/221273632.db2.gz UTYODWTWPQTEGD-KRWDZBQOSA-N 1 0 370.453 1.408 50 0 FDAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+]3CCNC(=O)CC3)C2=O)cc1 ZINC000067818135 221289674 /nfs/dbraw/zinc/28/96/74/221289674.db2.gz YGRXURJAXZMKBB-NRFANRHFSA-N 1 0 373.497 1.485 50 0 FDAARO O=C1CCCN1CCCNc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067756675 221282403 /nfs/dbraw/zinc/28/24/03/221282403.db2.gz QIHQYSHCUYZINI-UHFFFAOYSA-N 1 0 352.442 1.609 50 0 FDAARO CCCNc1ncc(C[NH+]2CCC(Cc3nn(C)c(=O)n3CC)CC2)cn1 ZINC000067758786 221283282 /nfs/dbraw/zinc/28/32/82/221283282.db2.gz VWNWYEQKMARMNM-UHFFFAOYSA-N 1 0 373.505 1.668 50 0 FDAARO Cn1cc(C[N@H+](C)C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cn1 ZINC000067770186 221283544 /nfs/dbraw/zinc/28/35/44/221283544.db2.gz CDPITQGDMNZUPD-OAQYLSRUSA-N 1 0 370.497 1.838 50 0 FDAARO CCn1cc(NC(=O)c2cccc(C[N@@H+]3CC[C@@H](N(C)C(C)=O)C3)c2)nn1 ZINC000067787394 221285722 /nfs/dbraw/zinc/28/57/22/221285722.db2.gz OUEZXSRTFMKPPB-QGZVFWFLSA-N 1 0 370.457 1.603 50 0 FDAARO Cn1nc(C2CC[NH+](C[C@H]3CCOC3)CC2)n(Cc2ccccc2)c1=O ZINC000067787524 221285970 /nfs/dbraw/zinc/28/59/70/221285970.db2.gz ZYSOUFSVUDTIJB-QGZVFWFLSA-N 1 0 356.470 1.846 50 0 FDAARO Cc1ccc([C@H](CNc2nc(C)nc3c2CC[NH2+]C3)N2CCOCC2)o1 ZINC000067855324 221295019 /nfs/dbraw/zinc/29/50/19/221295019.db2.gz OGQXSCNBMGQMPL-KRWDZBQOSA-N 1 0 357.458 1.818 50 0 FDAARO O=C(NCc1[nH]nc2c1CCCCC2)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067850990 221295244 /nfs/dbraw/zinc/29/52/44/221295244.db2.gz ZZDKJNRIOUQMGQ-ZDUSSCGKSA-N 1 0 357.462 1.200 50 0 FDAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN([C@@H]1CCc3ccccc3C1)C2 ZINC000067855209 221295360 /nfs/dbraw/zinc/29/53/60/221295360.db2.gz XKMRZENBKKEBLH-GOSISDBHSA-N 1 0 367.497 1.548 50 0 FDAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCN3CCCC3)C2=O)c1 ZINC000067868063 221296170 /nfs/dbraw/zinc/29/61/70/221296170.db2.gz NDBOPODXMFJSFX-FQEVSTJZSA-N 1 0 361.486 1.234 50 0 FDAARO C[C@@H](C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1)n1cnc2ccccc21 ZINC000067868806 221298960 /nfs/dbraw/zinc/29/89/60/221298960.db2.gz OZYNGZRBLRPBFY-INIZCTEOSA-N 1 0 355.486 1.836 50 0 FDAARO CN1CCN([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2O)CC1 ZINC000067871469 221298984 /nfs/dbraw/zinc/29/89/84/221298984.db2.gz HDJQSJKJESNGTM-ROUUACIJSA-N 1 0 359.449 1.008 50 0 FDAARO COCCN1CCC[C@@](O)(C[N@H+](C)Cc2cccc3cccnc32)C1=O ZINC000067935181 221306419 /nfs/dbraw/zinc/30/64/19/221306419.db2.gz LKZRBAMBTCWMCX-HXUWFJFHSA-N 1 0 357.454 1.667 50 0 FDAARO O=c1n(Cc2noc(C3CC3)n2)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067973562 221310756 /nfs/dbraw/zinc/31/07/56/221310756.db2.gz QMUZGRLQFQIMIC-CQSZACIVSA-N 1 0 366.425 1.810 50 0 FDAARO Cc1n[nH]c(CCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1C ZINC000067983333 221313331 /nfs/dbraw/zinc/31/33/31/221313331.db2.gz YWGRVVXECUNAAH-UHFFFAOYSA-N 1 0 356.474 1.422 50 0 FDAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071404071 221344488 /nfs/dbraw/zinc/34/44/88/221344488.db2.gz RYYVFIDOKAFHMC-MRXNPFEDSA-N 1 0 374.485 1.712 50 0 FDAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422334 221347626 /nfs/dbraw/zinc/34/76/26/221347626.db2.gz WHNQFKBGDMGHIV-MRXNPFEDSA-N 1 0 373.501 1.359 50 0 FDAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000071416337 221348232 /nfs/dbraw/zinc/34/82/32/221348232.db2.gz KPBFDUZYZYJGQB-KUHUBIRLSA-N 1 0 362.433 1.837 50 0 FDAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccn3)CC2)C1 ZINC000071755053 221365165 /nfs/dbraw/zinc/36/51/65/221365165.db2.gz RWRAQERORXESFG-SFHVURJKSA-N 1 0 374.529 1.563 50 0 FDAARO O=C(c1cccnc1)N1CCc2c(ncnc2NCC[NH+]2CCCC2)C1 ZINC000071639525 221354379 /nfs/dbraw/zinc/35/43/79/221354379.db2.gz NFRHMUQCGLDFNS-UHFFFAOYSA-N 1 0 352.442 1.578 50 0 FDAARO COc1ccccc1CNC(=O)CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071721424 221355398 /nfs/dbraw/zinc/35/53/98/221355398.db2.gz CPICJDCWTXZEMP-UHFFFAOYSA-N 1 0 359.470 1.788 50 0 FDAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)CCO)CC3)CC2)n1 ZINC000071768054 221372254 /nfs/dbraw/zinc/37/22/54/221372254.db2.gz XMOMHYXFNZBRJJ-UHFFFAOYSA-N 1 0 374.529 1.517 50 0 FDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CCCO)CC2)C1 ZINC000071775545 221374883 /nfs/dbraw/zinc/37/48/83/221374883.db2.gz FIKPXHIMZCAXJY-KRWDZBQOSA-N 1 0 360.502 1.257 50 0 FDAARO CCCc1ncncc1C(=O)N1CC[C@H]2[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC000072139145 221418161 /nfs/dbraw/zinc/41/81/61/221418161.db2.gz JBARVQZIEFXJME-APWZRJJASA-N 1 0 360.458 1.577 50 0 FDAARO COCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(C[NH3+])cc3)CC[C@H]21 ZINC000072412299 221504835 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FDAARO CC(=O)c1cc(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cs1 ZINC000077506091 523366810 /nfs/dbraw/zinc/36/68/10/523366810.db2.gz NLMWRENMDSEEFC-GOSISDBHSA-N 1 0 366.483 1.179 50 0 FDAARO CN(CCO)Cc1nnc(C2CC[NH+](C3Cc4ccccc4C3)CC2)n1C ZINC000077519733 523371305 /nfs/dbraw/zinc/37/13/05/523371305.db2.gz IIVOFMDBOQKXEE-UHFFFAOYSA-N 1 0 369.513 1.586 50 0 FDAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)C2(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091519181 523618373 /nfs/dbraw/zinc/61/83/73/523618373.db2.gz CZONAZCVCIJJKV-QZTJIDSGSA-N 1 0 360.498 1.672 50 0 FDAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000079097199 523702037 /nfs/dbraw/zinc/70/20/37/523702037.db2.gz JOTNENZJJGYLEA-IAGOWNOFSA-N 1 0 356.470 1.815 50 0 FDAARO O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079189391 523721063 /nfs/dbraw/zinc/72/10/63/523721063.db2.gz BRLJDALPBMTWCG-FUHWJXTLSA-N 1 0 358.486 1.503 50 0 biogenic FDAARO CC[C@H](C(=O)NCc1cc2n(n1)CC[NH2+]C2)N1Cc2ccccc2C1=O ZINC000082108614 523783828 /nfs/dbraw/zinc/78/38/28/523783828.db2.gz XSSIPTWOMKUOBZ-QGZVFWFLSA-N 1 0 353.426 1.037 50 0 FDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)[NH2+][C@]3(c4ccc(C)c(C)c4NC3=O)[C@H]2C1=O ZINC000248271478 523945861 /nfs/dbraw/zinc/94/58/61/523945861.db2.gz ZRSUSFADMZKWGR-FOOGJVBNSA-N 1 0 355.438 1.842 50 0 FDAARO COc1cccc([C@@H](O)CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1 ZINC000244708159 524104000 /nfs/dbraw/zinc/10/40/00/524104000.db2.gz KOTWJPYKTVAYHA-VBQJREDUSA-N 1 0 359.430 1.193 50 0 FDAARO C[C@H](C[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000082091301 524206446 /nfs/dbraw/zinc/20/64/46/524206446.db2.gz YJOVAYNPEFOWBE-OAHLLOKOSA-N 1 0 362.499 1.942 50 0 FDAARO CC[N@@H+]1CCC[C@@H](CN2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209568 /nfs/dbraw/zinc/20/95/68/524209568.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 1 0 363.506 1.083 50 0 FDAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cnc(-c2ncccn2)s1 ZINC000136815926 524215896 /nfs/dbraw/zinc/21/58/96/524215896.db2.gz ZTOASBZDSMSOEK-CYBMUJFWSA-N 1 0 373.482 1.831 50 0 FDAARO CCC[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCN3C(C)=O)cc2C1 ZINC000082161483 524218950 /nfs/dbraw/zinc/21/89/50/524218950.db2.gz DDUVVNLTXHXETQ-GOSISDBHSA-N 1 0 361.490 1.516 50 0 FDAARO C[C@H](CNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)N(C)c1ccccc1 ZINC000247981757 524474585 /nfs/dbraw/zinc/47/45/85/524474585.db2.gz JQSAIPOSAGCBNY-INMHGKMJSA-N 1 0 356.474 1.975 50 0 FDAARO CS[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C[C@@H]1[NH+](C)C ZINC000089568456 524512133 /nfs/dbraw/zinc/51/21/33/524512133.db2.gz VMYCFYIHQALSEZ-DOTOQJQBSA-N 1 0 372.494 1.659 50 0 FDAARO CN1CC[C@]2(CN(Cc3ccc4nsnc4c3)CC[N@@H+]2C)CCC1=O ZINC000091269783 524687560 /nfs/dbraw/zinc/68/75/60/524687560.db2.gz PKUFVALHORUAGV-SFHVURJKSA-N 1 0 359.499 1.820 50 0 FDAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000091358873 524693979 /nfs/dbraw/zinc/69/39/79/524693979.db2.gz SIAAQQFDIDRFLF-JKSUJKDBSA-N 1 0 358.442 1.030 50 0 FDAARO COc1ccc(N[C@H]2CCCN(C(=O)CC[NH+]3CCN(C)CC3)C2)cc1 ZINC000020271023 524712087 /nfs/dbraw/zinc/71/20/87/524712087.db2.gz LPPZMBWNSFBSSL-SFHVURJKSA-N 1 0 360.502 1.736 50 0 FDAARO CCc1c(C)scc1C(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+] ZINC000091644025 524752007 /nfs/dbraw/zinc/75/20/07/524752007.db2.gz VRLKSYMJLHVXOP-CVEARBPZSA-N 1 0 352.500 1.950 50 0 FDAARO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000091656574 524755054 /nfs/dbraw/zinc/75/50/54/524755054.db2.gz JOAQPVZGLMNEGQ-UHFFFAOYSA-N 1 0 366.425 1.842 50 0 FDAARO CCn1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091713545 524766684 /nfs/dbraw/zinc/76/66/84/524766684.db2.gz VEZBWQJKQCOPMK-INIZCTEOSA-N 1 0 373.501 1.452 50 0 FDAARO C[N@H+](CCO)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779260 /nfs/dbraw/zinc/77/92/60/524779260.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 1 0 364.383 1.809 50 0 FDAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)Cc2cc(F)cc(Cl)c2)C[C@@H]1CO ZINC000091818366 524790023 /nfs/dbraw/zinc/79/00/23/524790023.db2.gz NKNVIHWOKNLEQG-HUUCEWRRSA-N 1 0 372.868 1.667 50 0 FDAARO CCN1CC[NH+](C[C@@H]2CN(Cc3nc4ccccc4n3C)C[C@@H]2CO)CC1 ZINC000091915115 524812426 /nfs/dbraw/zinc/81/24/26/524812426.db2.gz HYCCBCPBLCQPES-QZTJIDSGSA-N 1 0 371.529 1.251 50 0 FDAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1CO ZINC000091974386 524824373 /nfs/dbraw/zinc/82/43/73/524824373.db2.gz NXDQWZWHIGXVAE-CHWSQXEVSA-N 1 0 358.841 1.738 50 0 FDAARO Cc1ccc([C@H]2CN(C(=O)CCc3nc(-c4cccnc4)no3)C[C@@H]2[NH3+])o1 ZINC000092046759 524835240 /nfs/dbraw/zinc/83/52/40/524835240.db2.gz XWTSDYWTUYLPOI-GJZGRUSLSA-N 1 0 367.409 1.919 50 0 FDAARO CCOc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1 ZINC000092076844 524845209 /nfs/dbraw/zinc/84/52/09/524845209.db2.gz JTGVGECSBVRCHA-WOJBJXKFSA-N 1 0 362.514 1.830 50 0 FDAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](O)c1ccc(F)cc1)CC2 ZINC000092096912 524846021 /nfs/dbraw/zinc/84/60/21/524846021.db2.gz GTIJTDHKTFEOLC-QGZVFWFLSA-N 1 0 372.444 1.978 50 0 FDAARO C[C@@H]1CN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C[C@@H](C)[NH2+]1 ZINC000153683635 524888679 /nfs/dbraw/zinc/88/86/79/524888679.db2.gz BKZTZPFTXAWTEZ-VXGBXAGGSA-N 1 0 350.440 1.800 50 0 FDAARO CCn1nc(C)c(C[N@H+]2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)c1C ZINC000095357900 525030892 /nfs/dbraw/zinc/03/08/92/525030892.db2.gz YBGVXICFBQMFGM-DOTOQJQBSA-N 1 0 371.551 1.372 50 0 FDAARO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cn1 ZINC000091526435 525031356 /nfs/dbraw/zinc/03/13/56/525031356.db2.gz OBGXPEQLANUNJP-WOJBJXKFSA-N 1 0 370.497 1.553 50 0 FDAARO CN1CC[NH+](C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000095386302 525059832 /nfs/dbraw/zinc/05/98/32/525059832.db2.gz GSDGOUBMBSEGSL-IAGOWNOFSA-N 1 0 365.905 1.197 50 0 FDAARO O=C(Cc1ccc(-n2cnnn2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095496686 525080614 /nfs/dbraw/zinc/08/06/14/525080614.db2.gz HSZMOAYHHITCIY-IEBWSBKVSA-N 1 0 366.469 1.538 50 0 FDAARO O=C(CCC1CCN(C(=O)CO)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095506884 525091149 /nfs/dbraw/zinc/09/11/49/525091149.db2.gz DKPFMYJRKNFXGM-LJQANCHMSA-N 1 0 373.497 1.388 50 0 FDAARO CN(C)C(=O)NCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000095513255 525095038 /nfs/dbraw/zinc/09/50/38/525095038.db2.gz PYVZLTQXQYDBJI-SFHVURJKSA-N 1 0 360.502 1.671 50 0 FDAARO Cc1nc(CN2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)CC2)no1 ZINC000095512553 525095694 /nfs/dbraw/zinc/09/56/94/525095694.db2.gz FBQIAUMOIGCZEM-INIZCTEOSA-N 1 0 373.457 1.527 50 0 FDAARO CN(Cc1ccccc1-n1cccn1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095520510 525099552 /nfs/dbraw/zinc/09/95/52/525099552.db2.gz IMEYKJSGGIDTCV-SJORKVTESA-N 1 0 367.453 1.184 50 0 FDAARO O=c1[nH]c(NCC2CC[NH+](CCO)CC2)nc2c1Cc1ccccc1OC2 ZINC000095527127 525103990 /nfs/dbraw/zinc/10/39/90/525103990.db2.gz GLSXGIQWYPTBOR-UHFFFAOYSA-N 1 0 370.453 1.369 50 0 FDAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN2CCC2)c1 ZINC000095528550 525104885 /nfs/dbraw/zinc/10/48/85/525104885.db2.gz JQVPRQQWVIDPKF-KRWDZBQOSA-N 1 0 350.459 1.097 50 0 FDAARO O=C(c1ccccc1)N1CC(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000095999900 525117147 /nfs/dbraw/zinc/11/71/47/525117147.db2.gz MSPOQCTUWZLLCE-UHFFFAOYSA-N 1 0 363.483 1.057 50 0 FDAARO Cc1cc(N2CCC(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)nc(C)n1 ZINC000176883314 525192968 /nfs/dbraw/zinc/19/29/68/525192968.db2.gz WXUWXXAIIZVMBS-KRWDZBQOSA-N 1 0 358.490 1.552 50 0 FDAARO C[C@@H](NC(=O)NCC[NH+]1CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000089905261 525199420 /nfs/dbraw/zinc/19/94/20/525199420.db2.gz PMSPJSDKGBXFOW-CYBMUJFWSA-N 1 0 354.476 1.514 50 0 FDAARO O=c1c(=O)c(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1NCc1ccccn1 ZINC000100794856 525216232 /nfs/dbraw/zinc/21/62/32/525216232.db2.gz JGBGBTDWLACABX-GOEBONIOSA-N 1 0 354.454 1.966 50 0 biogenic FDAARO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000104413204 525410761 /nfs/dbraw/zinc/41/07/61/525410761.db2.gz MSWJUBWRZMQYSG-INIZCTEOSA-N 1 0 369.469 1.626 50 0 FDAARO O=C(CCC[NH+]1CCCCC1)N1CCN(Cc2ccccc2)C[C@H]1CO ZINC000091350576 526433421 /nfs/dbraw/zinc/43/34/21/526433421.db2.gz VGQJODOODLYTDE-FQEVSTJZSA-N 1 0 359.514 1.958 50 0 FDAARO c1cn(Cc2ccc3c(c2)OCO3)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091665424 526535199 /nfs/dbraw/zinc/53/51/99/526535199.db2.gz URFQCZTXGGHGQF-UHFFFAOYSA-N 1 0 352.398 1.843 50 0 FDAARO O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277724239 526576059 /nfs/dbraw/zinc/57/60/59/526576059.db2.gz XFWNZXXWNFHFFR-UHOSZYNNSA-N 1 0 356.422 1.138 50 0 FDAARO O=C(CCn1cnnn1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082148100 526688438 /nfs/dbraw/zinc/68/84/38/526688438.db2.gz LTYQRIHEWBWRAU-UHFFFAOYSA-N 1 0 372.477 1.115 50 0 FDAARO O=C(c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000247723446 526729198 /nfs/dbraw/zinc/72/91/98/526729198.db2.gz CAFOXPDMDUSPBU-YRBFXIGRSA-N 1 0 370.453 1.240 50 0 FDAARO O=C(NCc1ncc2c(n1)CCC2)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000082160821 526827056 /nfs/dbraw/zinc/82/70/56/526827056.db2.gz UQADMRZZMUSAES-AWEZNQCLSA-N 1 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357.498 1.938 50 0 FDAARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000238083634 178347807 /nfs/dbraw/zinc/34/78/07/178347807.db2.gz QQLLVNAAVAZDEH-HKUYNNGSSA-N 1 0 369.469 1.931 50 0 FDAARO CN1CCN(c2cccc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)C1=O ZINC000299794803 529777457 /nfs/dbraw/zinc/77/74/57/529777457.db2.gz KSIQKTGUAKPSEF-QGZVFWFLSA-N 1 0 372.473 1.070 50 0 FDAARO COc1cc2c(cc1C(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C)CCC2 ZINC000222752979 222748136 /nfs/dbraw/zinc/74/81/36/222748136.db2.gz QVYJZJMRBZIVQW-MSOLQXFVSA-N 1 0 362.470 1.649 50 0 FDAARO CN1CCc2c3ccccc3n(C[C@H](O)C[NH2+]C[C@H]3CCCO3)c2C1=O ZINC000000803231 219323353 /nfs/dbraw/zinc/32/33/53/219323353.db2.gz QFXPZVNWRKDXDF-HUUCEWRRSA-N 1 0 357.454 1.399 50 0 biogenic FDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000000978057 219349313 /nfs/dbraw/zinc/34/93/13/219349313.db2.gz UBGFBFUWBAPYFX-UHFFFAOYSA-N 1 0 359.426 1.361 50 0 biogenic FDAARO CCOC(=O)c1ccc2c(c1)[n+](CCCS(N)(=O)=O)c(C)n2CC ZINC000001230811 219391301 /nfs/dbraw/zinc/39/13/01/219391301.db2.gz MLDXVVMGGQNAJU-UHFFFAOYSA-N 1 0 354.452 1.112 50 0 FDAARO COc1ccccc1-n1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000237111321 222905798 /nfs/dbraw/zinc/90/57/98/222905798.db2.gz NDGBSEWHEGINHL-TZMCWYRMSA-N 1 0 350.444 1.287 50 0 FDAARO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000237897859 222911525 /nfs/dbraw/zinc/91/15/25/222911525.db2.gz GHNCSOICMXCZGH-ZKYQVNSYSA-N 1 0 354.834 1.778 50 0 FDAARO C[NH+]1CCC(O)(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244735158 222933987 /nfs/dbraw/zinc/93/39/87/222933987.db2.gz NTVOGBWMJOFRRS-HHXXYDBFSA-N 1 0 369.465 1.620 50 0 FDAARO CN(C[C@@H]1CC(=O)N(C)C1)C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000534585841 540385642 /nfs/dbraw/zinc/38/56/42/540385642.db2.gz JEKIMGFPWLXWCW-MRXNPFEDSA-N 1 0 374.485 1.476 50 0 FDAARO Cn1c(Sc2nc3ccccc3n2CCO)nnc1C1CC[NH2+]CC1 ZINC000534646490 540394198 /nfs/dbraw/zinc/39/41/98/540394198.db2.gz IDBAWYNFWNXTFI-UHFFFAOYSA-N 1 0 358.471 1.775 50 0 FDAARO Cc1nccn1C[C@@H]1CCCN(C(=O)NCC[NH+]2CCC(CO)CC2)C1 ZINC000534657469 540396053 /nfs/dbraw/zinc/39/60/53/540396053.db2.gz PDAVZXXYNZFNIW-SFHVURJKSA-N 1 0 363.506 1.317 50 0 FDAARO O=C(NCc1cc(=O)[nH]cn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000534670109 540397910 /nfs/dbraw/zinc/39/79/10/540397910.db2.gz UKTXCNRSVGIAMM-SFHVURJKSA-N 1 0 367.453 1.567 50 0 FDAARO O=C(NCc1cc(=O)[nH]cn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000534670108 540398213 /nfs/dbraw/zinc/39/82/13/540398213.db2.gz UKTXCNRSVGIAMM-GOSISDBHSA-N 1 0 367.453 1.567 50 0 FDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797291 219770993 /nfs/dbraw/zinc/77/09/93/219770993.db2.gz HYLXCLDHNIJDFN-HNNXBMFYSA-N 1 0 367.453 1.640 50 0 FDAARO C[NH+](C)C[C@@H]1COCCN(C(=O)CCCc2nc(-c3ccco3)no2)C1 ZINC000299779178 223092845 /nfs/dbraw/zinc/09/28/45/223092845.db2.gz KBAKGPNKBKXWRD-AWEZNQCLSA-N 1 0 362.430 1.689 50 0 FDAARO O=C(N1CC[C@H]2[C@H](C1)OCc1cnnn12)C1(c2ccccc2)CC[NH2+]CC1 ZINC000299789337 223097767 /nfs/dbraw/zinc/09/77/67/223097767.db2.gz ZTEDRZUBPDYBOD-ROUUACIJSA-N 1 0 367.453 1.272 50 0 FDAARO CNC(=O)C1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000012736674 220022214 /nfs/dbraw/zinc/02/22/14/220022214.db2.gz UNLBTXXWYFNKPW-UHFFFAOYSA-N 1 0 358.486 1.950 50 0 FDAARO CS(=O)(=O)NC1=NC2=N[C@H](c3ccccc3)C[C@@H](c3ccccc3)N2N1 ZINC000013122574 220058956 /nfs/dbraw/zinc/05/89/56/220058956.db2.gz KISCFENOGNFEAC-HOTGVXAUSA-N 1 0 369.450 1.954 50 0 FDAARO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C[C@@H]12 ZINC000014537620 220125996 /nfs/dbraw/zinc/12/59/96/220125996.db2.gz NZYBNLSIRKDGFZ-XIRDDKMYSA-N 1 0 371.462 1.254 50 0 FDAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cn1 ZINC000014543648 220126287 /nfs/dbraw/zinc/12/62/87/220126287.db2.gz WAWIIDQHGOJRET-UHFFFAOYSA-N 1 0 367.453 1.849 50 0 FDAARO CC(C)OCC[NH2+][C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014750843 220131678 /nfs/dbraw/zinc/13/16/78/220131678.db2.gz XLISWZBKTXDFDJ-INIZCTEOSA-N 1 0 371.485 1.617 50 0 FDAARO C[N@H+](Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)C1CCOCC1 ZINC000015073081 220145484 /nfs/dbraw/zinc/14/54/84/220145484.db2.gz VFSQTLAAQUJIDS-LJQANCHMSA-N 1 0 364.486 1.369 50 0 FDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C)c1)C2=O ZINC000016621916 220188462 /nfs/dbraw/zinc/18/84/62/220188462.db2.gz IUMDFOKXMDCSNE-UHFFFAOYSA-N 1 0 358.442 1.730 50 0 FDAARO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000286165012 183003229 /nfs/dbraw/zinc/00/32/29/183003229.db2.gz YFFYCECIWPHTEP-GXTWGEPZSA-N 1 0 354.472 1.745 50 0 FDAARO COc1ccc(S(=O)(=O)CCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1OC ZINC000299739299 533037009 /nfs/dbraw/zinc/03/70/09/533037009.db2.gz NAQOBZPZLVGAIB-CHWSQXEVSA-N 1 0 370.471 1.076 50 0 FDAARO CC[NH+](CC)CCCNC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416271 220325689 /nfs/dbraw/zinc/32/56/89/220325689.db2.gz WACUSOKPMGQDDH-UHFFFAOYSA-N 1 0 355.442 1.726 50 0 FDAARO 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CC(C)C[N@@H+]1CCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]2C1 ZINC000014742136 220131212 /nfs/dbraw/zinc/13/12/12/220131212.db2.gz JEJLTFREEFYZHB-ZWKOTPCHSA-N 1 0 354.454 1.378 50 0 FDAARO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N@@H+](CC3CCCCC3)C[C@H]12 ZINC000014751304 220131716 /nfs/dbraw/zinc/13/17/16/220131716.db2.gz UVVVBHCRNNYFTG-RBUKOAKNSA-N 1 0 371.481 1.526 50 0 FDAARO O=C(NCCCO)c1cn([C@H]2CCC[N@H+](CCCc3ccccc3)C2)nn1 ZINC000014989761 220139797 /nfs/dbraw/zinc/13/97/97/220139797.db2.gz BNGIJQKJUAWCPO-SFHVURJKSA-N 1 0 371.485 1.660 50 0 FDAARO COc1cccc(CN2CCC[C@](O)(C[NH+]3CCSCC3)C2=O)c1 ZINC000015080568 220147635 /nfs/dbraw/zinc/14/76/35/220147635.db2.gz PDJIOJUEDUYPCV-SFHVURJKSA-N 1 0 350.484 1.598 50 0 FDAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000018155285 220225782 /nfs/dbraw/zinc/22/57/82/220225782.db2.gz NZCUKSDDWCYLSW-UONOGXRCSA-N 1 0 365.817 1.378 50 0 FDAARO COc1ccc2[nH]c3c(ncn(CCCN4CC[NH+](C)CC4)c3=O)c2c1 ZINC000019372119 220252453 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FDAARO Cc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](C)CC2)cc1 ZINC000064836213 221152034 /nfs/dbraw/zinc/15/20/34/221152034.db2.gz HJLZPAZJTUWGOA-UHFFFAOYSA-N 1 0 365.437 1.259 50 0 FDAARO Cn1c2c(C(=O)NCc3cccc(Cl)c3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966149 221158238 /nfs/dbraw/zinc/15/82/38/221158238.db2.gz XVKMVBJCWZHUOA-UHFFFAOYSA-N 1 0 371.828 1.262 50 0 FDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000065289593 221196392 /nfs/dbraw/zinc/19/63/92/221196392.db2.gz RXYXDZIZCAWVBF-WBVHZDCISA-N 1 0 373.501 1.019 50 0 FDAARO CCNc1cc(C)[nH+]c(NCCNS(=O)(=O)c2ccc(F)cc2)n1 ZINC000065362928 221202312 /nfs/dbraw/zinc/20/23/12/221202312.db2.gz LEWHFIYYQBLGMH-UHFFFAOYSA-N 1 0 353.423 1.746 50 0 FDAARO CN(Cc1nc2c(s1)CCCC2)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065370184 221204035 /nfs/dbraw/zinc/20/40/35/221204035.db2.gz NBJDHUGRKMCFRN-CYBMUJFWSA-N 1 0 374.514 1.885 50 0 FDAARO CCOC(=O)C1(NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)CCC1 ZINC000065381524 221207382 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FDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]CCn1ccnc1 ZINC000067805934 221288564 /nfs/dbraw/zinc/28/85/64/221288564.db2.gz DONPYHQFPPTGOX-GOSISDBHSA-N 1 0 364.396 1.305 50 0 FDAARO CCc1cc(-c2cc3c(c(F)c2)O[C@@H](C[NH3+])C3)nc(N2CCOCC2)n1 ZINC000067755638 221280111 /nfs/dbraw/zinc/28/01/11/221280111.db2.gz PRGPNCNVUVAXDZ-OAHLLOKOSA-N 1 0 358.417 1.944 50 0 FDAARO CN1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC12CC[NH+](C)CC2 ZINC000067788463 221285844 /nfs/dbraw/zinc/28/58/44/221285844.db2.gz SVEWNDBPZMYIBK-QGZVFWFLSA-N 1 0 356.470 1.100 50 0 FDAARO Nc1ncccc1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)NC2=O)CC1 ZINC000067834192 221291919 /nfs/dbraw/zinc/29/19/19/221291919.db2.gz ZITOZKKOGGFMFZ-IBGZPJMESA-N 1 0 366.425 1.006 50 0 FDAARO CC(=O)Nc1ccc(O)c(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067855320 221295677 /nfs/dbraw/zinc/29/56/77/221295677.db2.gz BGTWUEGBYVSIHA-UHFFFAOYSA-N 1 0 360.458 1.203 50 0 FDAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CC(C)(C)CO)C2=O)c1 ZINC000067872622 221298485 /nfs/dbraw/zinc/29/84/85/221298485.db2.gz UAKTYRMUGQEFGE-LJQANCHMSA-N 1 0 350.459 1.157 50 0 FDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3CCO)cnn2c1 ZINC000067878090 221299530 /nfs/dbraw/zinc/29/95/30/221299530.db2.gz NRMZOMVHYJWOQQ-INIZCTEOSA-N 1 0 359.474 1.948 50 0 FDAARO CN(c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1)S(C)(=O)=O ZINC000067895158 221303268 /nfs/dbraw/zinc/30/32/68/221303268.db2.gz XSGBZPHTDCTLCB-GOEBONIOSA-N 1 0 351.472 1.391 50 0 FDAARO CC(C)C[C@@H](NC(=O)C(=O)c1ccccc1)c1nnc2n1CC[NH2+]CC2 ZINC000067908822 221303877 /nfs/dbraw/zinc/30/38/77/221303877.db2.gz KYPLTZHGCGVIQM-OAHLLOKOSA-N 1 0 355.442 1.510 50 0 FDAARO CCn1cc(SCC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)c2ccccc21 ZINC000067920999 221305233 /nfs/dbraw/zinc/30/52/33/221305233.db2.gz VZOWMOZADTUXLX-WFASDCNBSA-N 1 0 360.483 1.428 50 0 FDAARO O=c1[nH]c(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc2c1CC[NH2+]CC2 ZINC000067947510 221307612 /nfs/dbraw/zinc/30/76/12/221307612.db2.gz BCHUJQXRZMUDTG-ZDUSSCGKSA-N 1 0 364.453 1.718 50 0 FDAARO CCn1c(CC2CC[NH+](Cc3ccc4nonc4c3)CC2)nn(C)c1=O ZINC000067948098 221307796 /nfs/dbraw/zinc/30/77/96/221307796.db2.gz DDIKIBNOLLOFKL-UHFFFAOYSA-N 1 0 356.430 1.593 50 0 FDAARO O=c1[nH]c(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc2c1CC[NH2+]CC2 ZINC000067947509 221307874 /nfs/dbraw/zinc/30/78/74/221307874.db2.gz BCHUJQXRZMUDTG-CYBMUJFWSA-N 1 0 364.453 1.718 50 0 FDAARO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000069415923 221325382 /nfs/dbraw/zinc/32/53/82/221325382.db2.gz ZYMMAPDCLMIDNN-UHOFOFEASA-N 1 0 354.447 1.731 50 0 FDAARO Cc1c(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)cnn1-c1ccccn1 ZINC000071315079 221341839 /nfs/dbraw/zinc/34/18/39/221341839.db2.gz QQUMRDJRTNOIMM-UHFFFAOYSA-N 1 0 368.485 1.428 50 0 FDAARO CCc1nccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071738525 221356996 /nfs/dbraw/zinc/35/69/96/221356996.db2.gz AWWZBWBWSUAMHK-MRXNPFEDSA-N 1 0 371.529 1.994 50 0 FDAARO CC[C@H]1C[N@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 ZINC000071749015 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365.441 1.247 50 0 FDAARO COc1cc(CCC2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)cc(OC)c1 ZINC000299748257 533756197 /nfs/dbraw/zinc/75/61/97/533756197.db2.gz GPYAYLJJLDXERN-LPHOPBHVSA-N 1 0 362.470 1.598 50 0 FDAARO CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000002953464 518256534 /nfs/dbraw/zinc/25/65/34/518256534.db2.gz HJAYMHYJHPMAJK-GASCZTMLSA-N 1 0 359.536 1.427 50 0 FDAARO COc1ccc(N2C[C@@H](NC(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004373627 518296457 /nfs/dbraw/zinc/29/64/57/518296457.db2.gz BHBVSSRYFPWTGQ-INIZCTEOSA-N 1 0 374.485 1.976 50 0 FDAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000004712201 518309439 /nfs/dbraw/zinc/30/94/39/518309439.db2.gz AIFQLANRLDQALE-DLBZAZTESA-N 1 0 373.563 1.819 50 0 FDAARO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000006578834 518376560 /nfs/dbraw/zinc/37/65/60/518376560.db2.gz UURUZPABZQVTSV-SNVBAGLBSA-N 1 0 369.443 1.039 50 0 FDAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCCC1 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COc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)no2)cc1 ZINC000032594099 519515935 /nfs/dbraw/zinc/51/59/35/519515935.db2.gz YUJGLKIMKBFVCX-CQSZACIVSA-N 1 0 358.442 1.716 50 0 FDAARO COC(=O)c1c(C)[nH]c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000032899225 519547349 /nfs/dbraw/zinc/54/73/49/519547349.db2.gz RVAHHKKNRVRCNT-RYUDHWBXSA-N 1 0 351.447 1.647 50 0 FDAARO C[C@@H]1CN(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000032895347 519548314 /nfs/dbraw/zinc/54/83/14/519548314.db2.gz VXNWNEDSINHOTE-HZPDHXFCSA-N 1 0 367.515 1.595 50 0 FDAARO O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035441171 519607092 /nfs/dbraw/zinc/60/70/92/519607092.db2.gz CKPCUNOVZZSCEV-OALUTQOASA-N 1 0 371.481 1.235 50 0 FDAARO CCC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(OC)c(OC)c1 ZINC000036095571 519615388 /nfs/dbraw/zinc/61/53/88/519615388.db2.gz XLEMNOPYVOKGOU-GOSISDBHSA-N 1 0 366.502 1.999 50 0 FDAARO CN1CCC[N@H+](C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000039413130 519636553 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50 0 FDAARO CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cn([C@H]3CC[C@@H]([NH3+])CC3)nn1)C2 ZINC000252582004 521701094 /nfs/dbraw/zinc/70/10/94/521701094.db2.gz XQSGEZYRACSIHP-CAOSSQGBSA-N 1 0 374.489 1.194 50 0 FDAARO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccnc2)C[N@@H+]1CC1CCCCC1 ZINC000091537022 521744793 /nfs/dbraw/zinc/74/47/93/521744793.db2.gz BJZQBMNBSVGKSO-MOPGFXCFSA-N 1 0 372.513 1.900 50 0 FDAARO C[NH+](C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020483341 521785543 /nfs/dbraw/zinc/78/55/43/521785543.db2.gz MYEZJTWOUFSYBT-UHFFFAOYSA-N 1 0 353.488 1.294 50 0 FDAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc3c(O)cccc23)CC1 ZINC000044901096 522015563 /nfs/dbraw/zinc/01/55/63/522015563.db2.gz QLWKIVNOQMWTAT-UHFFFAOYSA-N 1 0 370.453 1.238 50 0 FDAARO COCCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n1 ZINC000091706844 522044474 /nfs/dbraw/zinc/04/44/74/522044474.db2.gz XPDZMXWYFOFWHD-GOEBONIOSA-N 1 0 350.463 1.334 50 0 FDAARO COc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH2+]CCc3ncccc3C)C2)cc1 ZINC000072133210 522161606 /nfs/dbraw/zinc/16/16/06/522161606.db2.gz OCJHJFYENIKQLW-RTBURBONSA-N 1 0 355.438 1.416 50 0 FDAARO C[N@@H+]1CCC[C@H](C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)C1 ZINC000072134489 522164540 /nfs/dbraw/zinc/16/45/40/522164540.db2.gz MBWXLMGEALDSOC-HNNXBMFYSA-N 1 0 352.438 1.663 50 0 FDAARO CCN1C(=O)NC(=O)C12CC[NH+](Cc1csc(C(=O)OC)c1)CC2 ZINC000072145428 522171427 /nfs/dbraw/zinc/17/14/27/522171427.db2.gz UFIZTBRYDWUQHX-UHFFFAOYSA-N 1 0 351.428 1.441 50 0 FDAARO CN(CCC[NH+](C)C)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 ZINC000072150067 522176441 /nfs/dbraw/zinc/17/64/41/522176441.db2.gz AYIAXSHNJJRXKE-AWEZNQCLSA-N 1 0 359.430 1.142 50 0 FDAARO O[C@@H]1CN(Cc2cc3n(n2)CCC[NH2+]C3)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000072151859 522178745 /nfs/dbraw/zinc/17/87/45/522178745.db2.gz DBDIKRXHNDHALW-ZWKOTPCHSA-N 1 0 370.453 1.456 50 0 FDAARO c1cncc(-c2nc3c(c(NCc4noc([C@@H]5CCCO5)n4)n2)C[NH2+]C3)c1 ZINC000072154964 522184642 /nfs/dbraw/zinc/18/46/42/522184642.db2.gz BYRROKTVWAETOQ-AWEZNQCLSA-N 1 0 365.397 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c1cn(Cc2nc(Cc3ccccc3)no2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072468888 522290744 /nfs/dbraw/zinc/29/07/44/522290744.db2.gz ZZFLTQANKYWNPQ-UHFFFAOYSA-N 1 0 361.409 1.872 50 0 FDAARO C[C@@H](c1cn2ncsc2n1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072475383 522298834 /nfs/dbraw/zinc/29/88/34/522298834.db2.gz KMCNNQKDTYWUHT-NSHDSACASA-N 1 0 354.443 1.953 50 0 FDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)NCc3ccccc3C)CC[C@H]21 ZINC000072481168 522305801 /nfs/dbraw/zinc/30/58/01/522305801.db2.gz KQCXCZMBBUHRNK-ZWKOTPCHSA-N 1 0 358.486 1.737 50 0 FDAARO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000075105056 522879080 /nfs/dbraw/zinc/87/90/80/522879080.db2.gz GFKMZQZVZUXDHF-CQSZACIVSA-N 1 0 359.879 1.682 50 0 FDAARO COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000075110536 522880648 /nfs/dbraw/zinc/88/06/48/522880648.db2.gz GNROARBKBHXWQA-QWHCGFSZSA-N 1 0 354.472 1.916 50 0 FDAARO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1 ZINC000076021999 523011051 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350.551 1.735 50 0 FDAARO [NH3+][C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000132568167 525976356 /nfs/dbraw/zinc/97/63/56/525976356.db2.gz JJNKFGOHHATYSW-JTQLQIEISA-N 1 0 353.195 1.947 50 0 FDAARO COc1ccc(C[N@@H+]2CCCN(c3cncc(OCCO)n3)CC2)cc1 ZINC000133047294 526016765 /nfs/dbraw/zinc/01/67/65/526016765.db2.gz RJTOTJYLXPFVAW-UHFFFAOYSA-N 1 0 358.442 1.569 50 0 FDAARO Cc1ccc([C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1 ZINC000091411570 526024800 /nfs/dbraw/zinc/02/48/00/526024800.db2.gz HBYCLJCUSZPXPX-HOTGVXAUSA-N 1 0 354.472 1.617 50 0 FDAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000091691489 526492066 /nfs/dbraw/zinc/49/20/66/526492066.db2.gz LOGSIGKAHBWMRA-KRWDZBQOSA-N 1 0 355.442 1.021 50 0 FDAARO C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2ncccc2C(N)=O)CC3)C1 ZINC000091793629 536477881 /nfs/dbraw/zinc/47/78/81/536477881.db2.gz AFACUJDAGAOZJN-HNNXBMFYSA-N 1 0 371.485 1.094 50 0 FDAARO Cc1nc2cc(CNC(=O)c3cn(CC[C@@H]4CCCC[NH2+]4)nn3)ccc2[nH]1 ZINC000082133648 527138870 /nfs/dbraw/zinc/13/88/70/527138870.db2.gz JPRYDJMGINBZPX-HNNXBMFYSA-N 1 0 367.457 1.925 50 0 FDAARO OCCN1CC[NH+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020725808 527553151 /nfs/dbraw/zinc/55/31/51/527553151.db2.gz REAYPUUMJYMKRY-WFRNDULYSA-N 1 0 352.519 1.190 50 0 FDAARO Nc1nc2c(c(NCCN3N=C(c4ccccc4)CCC3=O)n1)CC[NH2+]C2 ZINC000082115408 527559577 /nfs/dbraw/zinc/55/95/77/527559577.db2.gz ZAWKOXBZXQZGKE-UHFFFAOYSA-N 1 0 365.441 1.143 50 0 FDAARO O=C(NCCCCC[NH+]1CCOCC1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000019840842 527642442 /nfs/dbraw/zinc/64/24/42/527642442.db2.gz QNWHSTGVPFQKEE-KRWDZBQOSA-N 1 0 365.518 1.786 50 0 FDAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)CN1C/C=C/c1ccccc1 ZINC000299775291 528215896 /nfs/dbraw/zinc/21/58/96/528215896.db2.gz BEKLDYHNTCZAID-OYIMBBQMSA-N 1 0 370.541 1.963 50 0 FDAARO CC[N@@H+]1CCC[C@@H](CN2CCn3nc(CNc4cnccn4)cc3C2)C1 ZINC000299767659 529049205 /nfs/dbraw/zinc/04/92/05/529049205.db2.gz JFFQKWJKXQYNDG-MRXNPFEDSA-N 1 0 355.490 1.833 50 0 FDAARO C[NH+](C)CCCNC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 ZINC000009302581 535835097 /nfs/dbraw/zinc/83/50/97/535835097.db2.gz MXOGFKMRSCDYPN-UHFFFAOYSA-N 1 0 361.446 1.003 50 0 FDAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CCS(=O)(=O)CC1 ZINC000186944679 536249962 /nfs/dbraw/zinc/24/99/62/536249962.db2.gz OORNAGDGSOLOHR-MRXNPFEDSA-N 1 0 366.527 1.822 50 0 FDAARO CN1N=C(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000058167452 536420823 /nfs/dbraw/zinc/42/08/23/536420823.db2.gz YOQLYFCSUUOFDJ-UHFFFAOYSA-N 1 0 363.849 1.639 50 0 FDAARO Cn1cc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cn1 ZINC000252507417 537250541 /nfs/dbraw/zinc/25/05/41/537250541.db2.gz WKVYKJQCAOGEKM-UHFFFAOYSA-N 1 0 358.533 1.306 50 0 FDAARO Cc1noc([C@@]23C[N@H+](Cc4ccccc4)C[C@@H]2CCN(C(=O)CCO)C3)n1 ZINC000257190727 537252599 /nfs/dbraw/zinc/25/25/99/537252599.db2.gz NQFVKHZQLAWBMG-FXAWDEMLSA-N 1 0 370.453 1.363 50 0 FDAARO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000257190686 537252763 /nfs/dbraw/zinc/25/27/63/537252763.db2.gz NLOXFKCZGMBLJO-MSOLQXFVSA-N 1 0 359.470 1.089 50 0 FDAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000215286843 537436291 /nfs/dbraw/zinc/43/62/91/537436291.db2.gz FILDJCMUNDFHMD-INIZCTEOSA-N 1 0 350.422 1.837 50 0 FDAARO CS(=O)(=O)NC1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000215360374 537437842 /nfs/dbraw/zinc/43/78/42/537437842.db2.gz SVCKABURFWKYBR-UHFFFAOYSA-N 1 0 352.435 1.729 50 0 FDAARO O=C(C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1)N1CCOCC1 ZINC000216478460 537450907 /nfs/dbraw/zinc/45/09/07/537450907.db2.gz DZHOOXVMAZTWCK-UHFFFAOYSA-N 1 0 356.426 1.807 50 0 FDAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N[C@@H]1CCOC[C@H]1OCCO ZINC000218971088 537468688 /nfs/dbraw/zinc/46/86/88/537468688.db2.gz NPLRPEIDXYOTOO-RTBURBONSA-N 1 0 362.470 1.149 50 0 FDAARO COCc1nc(NCc2nc(-c3cnccn3)n[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000219041855 537471674 /nfs/dbraw/zinc/47/16/74/537471674.db2.gz LZQABHCFWSIWNE-UHFFFAOYSA-N 1 0 367.417 1.015 50 0 FDAARO Cc1cc(C(=O)N2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)c(C)n1C ZINC000219294003 537472991 /nfs/dbraw/zinc/47/29/91/537472991.db2.gz RVVIKOYAPGDAMV-SFHVURJKSA-N 1 0 359.474 1.480 50 0 FDAARO Cc1nc(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)nc2c1CCCC2 ZINC000219776006 537480046 /nfs/dbraw/zinc/48/00/46/537480046.db2.gz NLOVCNFOVGUHFB-UHFFFAOYSA-N 1 0 353.474 1.895 50 0 FDAARO Cc1cn2c(C(=O)N[C@@H]3CCOC[C@H]3OCC[NH+](C)C)csc2n1 ZINC000219930455 537481908 /nfs/dbraw/zinc/48/19/08/537481908.db2.gz BTEHOTHUWKNFHT-TZMCWYRMSA-N 1 0 352.460 1.170 50 0 FDAARO CNc1cc(C)[nH+]c(N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)n1 ZINC000220020919 537484260 /nfs/dbraw/zinc/48/42/60/537484260.db2.gz YPIDZKQEKJPNFG-MGPQQGTHSA-N 1 0 355.446 1.546 50 0 FDAARO O=C(c1c[nH]c(=O)c2ccccc12)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220263967 537485773 /nfs/dbraw/zinc/48/57/73/537485773.db2.gz BNQAXBCXSHGTTA-UHFFFAOYSA-N 1 0 369.465 1.839 50 0 FDAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2F)CC1 ZINC000220589530 537491951 /nfs/dbraw/zinc/49/19/51/537491951.db2.gz HQXADFARVBLMGO-IAGOWNOFSA-N 1 0 350.434 1.709 50 0 FDAARO COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)cc1C ZINC000223319791 537523318 /nfs/dbraw/zinc/52/33/18/537523318.db2.gz QLOKUBJACYZWHM-NVXWUHKLSA-N 1 0 372.487 1.018 50 0 FDAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC ZINC000237157626 537616226 /nfs/dbraw/zinc/61/62/26/537616226.db2.gz RZHCOYNFCZEXQO-ZDUSSCGKSA-N 1 0 362.879 1.738 50 0 FDAARO Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nnn1C1CC[NH2+]CC1 ZINC000237228407 537619001 /nfs/dbraw/zinc/61/90/01/537619001.db2.gz IKGABXPHCNRJAD-UHFFFAOYSA-N 1 0 357.414 1.512 50 0 FDAARO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000237332372 537624012 /nfs/dbraw/zinc/62/40/12/537624012.db2.gz RMXVWDBILWLVQG-JTQLQIEISA-N 1 0 363.277 1.878 50 0 FDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000237383020 537625655 /nfs/dbraw/zinc/62/56/55/537625655.db2.gz VWSSZVUTHMNOBD-ZIAGYGMSSA-N 1 0 354.472 1.587 50 0 FDAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc21 ZINC000237380222 537625988 /nfs/dbraw/zinc/62/59/88/537625988.db2.gz RZBUXELJFYHWRE-DOMZBBRYSA-N 1 0 351.472 1.344 50 0 FDAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)CN1CCNCC1=O ZINC000237513859 537631692 /nfs/dbraw/zinc/63/16/92/537631692.db2.gz ZDMSZMGZFAZKMG-IAGOWNOFSA-N 1 0 372.513 1.033 50 0 FDAARO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2csc(CN)n2)CC1 ZINC000237607389 537633924 /nfs/dbraw/zinc/63/39/24/537633924.db2.gz WTDYXZNRMCYRKU-OKILXGFUSA-N 1 0 351.520 1.232 50 0 FDAARO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@H](c2ccccc2)CO1 ZINC000237758584 537639963 /nfs/dbraw/zinc/63/99/63/537639963.db2.gz YMPJFLUWOLKXHM-KSSFIOAISA-N 1 0 355.442 1.805 50 0 FDAARO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237793939 537641029 /nfs/dbraw/zinc/64/10/29/537641029.db2.gz OFGLQWAQOOWUEU-OLZOCXBDSA-N 1 0 360.501 1.113 50 0 FDAARO [NH3+][C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000238056269 537642765 /nfs/dbraw/zinc/64/27/65/537642765.db2.gz BFZSVRWZQAQBSU-ZDUSSCGKSA-N 1 0 356.875 1.986 50 0 FDAARO Cc1nc(NCCn2[nH]c(=O)c3ccccc3c2=O)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244852603 537654437 /nfs/dbraw/zinc/65/44/37/537654437.db2.gz UVNLJMMJHDEIHZ-JOCQHMNTSA-N 1 0 366.425 1.105 50 0 FDAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(-c2ccccc2CO)cc1 ZINC000426652991 538118311 /nfs/dbraw/zinc/11/83/11/538118311.db2.gz QITQCTMLQWKLEK-IBGZPJMESA-N 1 0 353.466 1.822 50 0 FDAARO Cc1cccnc1N1CCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426668267 538121077 /nfs/dbraw/zinc/12/10/77/538121077.db2.gz HSIUAEMLGSPTHR-QGZVFWFLSA-N 1 0 368.485 1.402 50 0 FDAARO COc1cccc(CCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)c1OC ZINC000426674235 538121371 /nfs/dbraw/zinc/12/13/71/538121371.db2.gz OHSWVTUHZSHOMR-INIZCTEOSA-N 1 0 372.469 1.726 50 0 FDAARO CC(C)c1nc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cn1C ZINC000575608124 550466296 /nfs/dbraw/zinc/46/62/96/550466296.db2.gz QOSUACFCUOPCIZ-OAHLLOKOSA-N 1 0 370.519 1.323 50 0 FDAARO C[N@@H+]1CCC[C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC000575616974 550467030 /nfs/dbraw/zinc/46/70/30/550467030.db2.gz OUJITAPHVNBPLA-LBPRGKRZSA-N 1 0 371.407 1.922 50 0 FDAARO CC[C@H](CO)N(Cc1ccc(C)s1)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000215048473 568046032 /nfs/dbraw/zinc/04/60/32/568046032.db2.gz QDXRUTHMSHFIAY-OAHLLOKOSA-N 1 0 353.532 1.840 50 0 FDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000245329253 568197940 /nfs/dbraw/zinc/19/79/40/568197940.db2.gz RXYXDZIZCAWVBF-RDJZCZTQSA-N 1 0 373.501 1.019 50 0 FDAARO NC(=O)C1CC[NH+](C2CN(C(=O)Cc3cccc4ccccc43)C2)CC1 ZINC000390828797 568274462 /nfs/dbraw/zinc/27/44/62/568274462.db2.gz UMBYWMBJWREPMM-UHFFFAOYSA-N 1 0 351.450 1.790 50 0 FDAARO Cc1nnc(SCCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000426538098 570614809 /nfs/dbraw/zinc/61/48/09/570614809.db2.gz NDRZDRSUEQOTRE-GFCCVEGCSA-N 1 0 366.516 1.419 50 0 FDAARO CN(Cc1nc2ccccc2n1C)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000426536282 570615395 /nfs/dbraw/zinc/61/53/95/570615395.db2.gz LYEGZBPLOJTMCS-OAHLLOKOSA-N 1 0 359.474 1.419 50 0 FDAARO Cc1csc2nc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)cc(=O)n12 ZINC000047258721 570883905 /nfs/dbraw/zinc/88/39/05/570883905.db2.gz LYJRBDJYYJUIDO-UHFFFAOYSA-N 1 0 370.482 1.982 50 0 FDAARO O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000108136591 570903700 /nfs/dbraw/zinc/90/37/00/570903700.db2.gz QUBVERPWIRWTID-FHWLQOOXSA-N 1 0 360.454 1.526 50 0 FDAARO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)NC[C@H]1COc2ccccc2O1 ZINC000084583108 571090631 /nfs/dbraw/zinc/09/06/31/571090631.db2.gz RLRAWYRMVAHOSY-SJORKVTESA-N 1 0 359.470 1.503 50 0 FDAARO C[C@]1(n2cc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cn2)CCS(=O)(=O)C1 ZINC000084673587 571095847 /nfs/dbraw/zinc/09/58/47/571095847.db2.gz UAOJVRPWFYIHLA-IRXDYDNUSA-N 1 0 367.446 1.379 50 0 FDAARO O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000242389292 571111327 /nfs/dbraw/zinc/11/13/27/571111327.db2.gz ZVYFNPNIHTYAKZ-UHFFFAOYSA-N 1 0 362.518 1.906 50 0 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FDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[N@H+]1CCC[C@H](C)C1 ZINC000010049341 518526407 /nfs/dbraw/zinc/52/64/07/518526407.db2.gz OYRJZUYEDRQYAA-LBPRGKRZSA-N 1 0 358.446 1.106 50 0 FDAARO COc1ccc(C(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000011771569 518571285 /nfs/dbraw/zinc/57/12/85/518571285.db2.gz WENJUBXEKKDWCO-MRXNPFEDSA-N 1 0 361.486 1.992 50 0 FDAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH+]1CCC(O)(c2ccccn2)CC1 ZINC000011816995 518573758 /nfs/dbraw/zinc/57/37/58/518573758.db2.gz FJKJIPKPXFCYDR-OAQYLSRUSA-N 1 0 373.497 1.519 50 0 FDAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccccc2Cl)CCC1=O ZINC000012031700 518583337 /nfs/dbraw/zinc/58/33/37/518583337.db2.gz PDUCUEDJVNINND-HNNXBMFYSA-N 1 0 351.878 1.799 50 0 FDAARO C[N@H+](CCn1cc(C(=O)N2CCSCC2)nn1)Cc1cccc(F)c1 ZINC000012209861 518597144 /nfs/dbraw/zinc/59/71/44/518597144.db2.gz DIDQPFDTZLFZIL-UHFFFAOYSA-N 1 0 363.462 1.738 50 0 FDAARO Cc1ccc(C[NH+]2CCC(n3cc(C(=O)NCCCO)nn3)CC2)c(C)c1 ZINC000012280419 518600422 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1.854 50 0 FDAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CC(C)C)C2 ZINC000014751357 518698289 /nfs/dbraw/zinc/69/82/89/518698289.db2.gz ILTVXMLDJLGAFA-INIZCTEOSA-N 1 0 361.534 1.784 50 0 FDAARO Cn1cc(C[N@H+](C)C[C@H]2COCCO2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000014953847 518703959 /nfs/dbraw/zinc/70/39/59/518703959.db2.gz YHXWFBAWNRSFAH-INIZCTEOSA-N 1 0 359.426 1.706 50 0 FDAARO Cc1c(C[NH2+]C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)cnn1C ZINC000015073312 518706647 /nfs/dbraw/zinc/70/66/47/518706647.db2.gz ZOEOISSVBMBZOV-LJQANCHMSA-N 1 0 360.433 1.511 50 0 FDAARO COc1ccc(-c2noc(N3CCC(C(=O)NCC[NH+](C)C)CC3)n2)cc1 ZINC000015674890 518730570 /nfs/dbraw/zinc/73/05/70/518730570.db2.gz MDHMQJCCPLKPMW-UHFFFAOYSA-N 1 0 373.457 1.639 50 0 FDAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](C(C)C)[C@@H](CCO)C1 ZINC000020454396 518851862 /nfs/dbraw/zinc/85/18/62/518851862.db2.gz OZALNTZIYDSDOC-INIZCTEOSA-N 1 0 352.475 1.989 50 0 FDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020567013 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C[C@H](CCn1cccn1)[N@@H+]1CCOC2(CCN(Cc3nccn3C)CC2)C1 ZINC000821758559 919993844 /nfs/dbraw/zinc/99/38/44/919993844.db2.gz JRXXCLYEAQWOLX-GOSISDBHSA-N 1 0 372.517 1.762 50 0 FDAARO Cc1ccccc1-n1cc(CN2CCN(C[C@@H](O)C[NH+](C)C)CC2)cn1 ZINC000823680418 922002034 /nfs/dbraw/zinc/00/20/34/922002034.db2.gz DGXPGSZLZQTYDF-IBGZPJMESA-N 1 0 357.502 1.221 50 0 FDAARO COc1c[nH]c(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cc1=O ZINC000824528326 923029064 /nfs/dbraw/zinc/02/90/64/923029064.db2.gz XQBLTOXDAFXMAS-OAHLLOKOSA-N 1 0 355.438 1.911 50 0 FDAARO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013157 924808210 /nfs/dbraw/zinc/80/82/10/924808210.db2.gz XCTBTTBQJQZWTE-LBPRGKRZSA-N 1 0 351.501 1.750 50 0 FDAARO O=C1CC[C@@H]([N@@H+]2CCOC3(CCN(Cc4nccs4)CC3)C2)CCN1 ZINC000828305435 924872874 /nfs/dbraw/zinc/87/28/74/924872874.db2.gz OHGZYPSFPHYNFA-OAHLLOKOSA-N 1 0 364.515 1.479 50 0 FDAARO CS(=O)(=O)N1CC[C@H](CC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000581783427 927578039 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Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c2nonc21 ZINC000952981613 960295465 /nfs/dbraw/zinc/29/54/65/960295465.db2.gz JIBJEFBPCDZPBU-CYBMUJFWSA-N 1 0 352.460 1.944 50 0 FDAARO O[C@@H](C[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1)COC1CCCCC1 ZINC000096162781 1015054073 /nfs/dbraw/zinc/05/40/73/1015054073.db2.gz YBGQRGLLTZIDAL-HNNXBMFYSA-N 1 0 374.489 1.622 50 0 FDAARO C[C@H](NC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1)c1cccs1 ZINC000245402271 178354496 /nfs/dbraw/zinc/35/44/96/178354496.db2.gz HNOXNVGGPHZYSW-GJZGRUSLSA-N 1 0 365.499 1.639 50 0 FDAARO Cc1cccnc1NCCNC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000534651199 540394806 /nfs/dbraw/zinc/39/48/06/540394806.db2.gz ZMVYBLALUGENEC-UHFFFAOYSA-N 1 0 356.430 1.298 50 0 FDAARO Cc1ccc(OCC[NH3+])c(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000299766813 203759303 /nfs/dbraw/zinc/75/93/03/203759303.db2.gz LJUKBIPOQMKHBP-MRXNPFEDSA-N 1 0 359.470 1.807 50 0 FDAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1[C@@H]([NH3+])[C@@H]2C=C[C@H]1O2 ZINC000299794853 203776731 /nfs/dbraw/zinc/77/67/31/203776731.db2.gz JAYFBNJCYJJCIQ-XDNAFOTISA-N 1 0 356.401 1.525 50 0 FDAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000004712154 204158100 /nfs/dbraw/zinc/15/81/00/204158100.db2.gz ICMHCKCYLUCBSV-QGZVFWFLSA-N 1 0 373.563 1.676 50 0 FDAARO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000008991063 204352096 /nfs/dbraw/zinc/35/20/96/204352096.db2.gz YYASIVMWWTVDQE-UKTHLTGXSA-N 1 0 351.403 1.540 50 0 FDAARO O=C(NCC[NH+]1CCC(O)CC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000012431656 204461283 /nfs/dbraw/zinc/46/12/83/204461283.db2.gz APJDGCNZDQVNQC-UHFFFAOYSA-N 1 0 363.849 1.166 50 0 FDAARO C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000078969024 205044279 /nfs/dbraw/zinc/04/42/79/205044279.db2.gz YUJUEZLVDSKRCO-KRWDZBQOSA-N 1 0 365.499 1.440 50 0 FDAARO Cc1cc(=O)c(C(=O)NC[C@H](C(C)C)[NH+](C)C)nn1-c1ccccc1F ZINC000040047509 205051680 /nfs/dbraw/zinc/05/16/80/205051680.db2.gz DGRLPGZILSZWLP-MRXNPFEDSA-N 1 0 360.433 1.996 50 0 FDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)[NH+](C)C)cc1 ZINC000040266533 205064605 /nfs/dbraw/zinc/06/46/05/205064605.db2.gz FXANEZJTIOLCOB-INIZCTEOSA-N 1 0 372.425 1.456 50 0 FDAARO CC1(C)NC(=O)N(CC[NH+]2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000044648963 205109368 /nfs/dbraw/zinc/10/93/68/205109368.db2.gz KASPJURZFZUDSB-UHFFFAOYSA-N 1 0 364.490 1.431 50 0 FDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 ZINC000299739055 205115674 /nfs/dbraw/zinc/11/56/74/205115674.db2.gz JYHNNRSHAJIRJE-YDHLFZDLSA-N 1 0 365.499 1.597 50 0 FDAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CC2)c(C)c1 ZINC000045944235 205127392 /nfs/dbraw/zinc/12/73/92/205127392.db2.gz NQXXXRGPMDTGKW-UHFFFAOYSA-N 1 0 365.499 1.278 50 0 FDAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC)cc1 ZINC000045944758 205127495 /nfs/dbraw/zinc/12/74/95/205127495.db2.gz LVSVXIIHDIDOGP-UHFFFAOYSA-N 1 0 367.515 1.472 50 0 FDAARO CCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974591 205128858 /nfs/dbraw/zinc/12/88/58/205128858.db2.gz ISWVWFDGWIHRLT-UHFFFAOYSA-N 1 0 367.515 1.643 50 0 FDAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000045974415 205128915 /nfs/dbraw/zinc/12/89/15/205128915.db2.gz LXRBGJARLLXDKN-UHFFFAOYSA-N 1 0 353.488 1.299 50 0 FDAARO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000054460098 205200452 /nfs/dbraw/zinc/20/04/52/205200452.db2.gz PXJFBMSBTYZJJS-CYBMUJFWSA-N 1 0 371.528 1.359 50 0 FDAARO CC(C)(CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1)[NH+]1CCCC1 ZINC000055369088 205216320 /nfs/dbraw/zinc/21/63/20/205216320.db2.gz NBQAOEOONVOAPB-SFHVURJKSA-N 1 0 372.513 1.368 50 0 FDAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2nc(Cl)ccc2=O)s1 ZINC000055393648 205217487 /nfs/dbraw/zinc/21/74/87/205217487.db2.gz QTKLRSJTYQFNDB-UHFFFAOYSA-N 1 0 368.890 1.857 50 0 FDAARO Cc1cc(C)n(CC[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)c(=O)n1 ZINC000063856909 205296415 /nfs/dbraw/zinc/29/64/15/205296415.db2.gz IQHBHGUGLAMXDX-UHFFFAOYSA-N 1 0 367.453 1.480 50 0 FDAARO COc1cccc(Cn2nnc3cc(C(=O)NCC[NH+](C)C)ccc32)c1 ZINC000065030339 205315295 /nfs/dbraw/zinc/31/52/95/205315295.db2.gz GIPRPUKMVNMEQH-UHFFFAOYSA-N 1 0 353.426 1.780 50 0 FDAARO C[NH+](C)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000065083173 205316564 /nfs/dbraw/zinc/31/65/64/205316564.db2.gz NHBKGJDSIBSWMD-UHFFFAOYSA-N 1 0 354.389 1.760 50 0 FDAARO O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065397154 205347051 /nfs/dbraw/zinc/34/70/51/205347051.db2.gz YZERNEVLHWWSOC-CVEARBPZSA-N 1 0 358.421 1.612 50 0 FDAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O ZINC000065405595 205347452 /nfs/dbraw/zinc/34/74/52/205347452.db2.gz UNCOHKZIYVEKAW-OAHLLOKOSA-N 1 0 362.433 1.871 50 0 FDAARO CCc1ccc(N([C@@H](C)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000067338698 205371811 /nfs/dbraw/zinc/37/18/11/205371811.db2.gz PJRAPTCKVRKDST-AWEZNQCLSA-N 1 0 367.515 1.614 50 0 FDAARO CCc1ccc(N([C@H](C)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000067338700 205371986 /nfs/dbraw/zinc/37/19/86/205371986.db2.gz PJRAPTCKVRKDST-CQSZACIVSA-N 1 0 367.515 1.614 50 0 FDAARO Cc1cc(C)cc(NC(=O)CC(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067446836 205372120 /nfs/dbraw/zinc/37/21/20/205372120.db2.gz ZIMVMWZRVZYDRN-UHFFFAOYSA-N 1 0 372.513 1.870 50 0 FDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000067540125 205373979 /nfs/dbraw/zinc/37/39/79/205373979.db2.gz CKNSBEDPLYYTOY-CVEARBPZSA-N 1 0 370.478 1.662 50 0 FDAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1ccc3cccnc3c1O)CC2 ZINC000067514608 205374134 /nfs/dbraw/zinc/37/41/34/205374134.db2.gz BFAOPIKMKOHQLW-UHFFFAOYSA-N 1 0 354.454 1.792 50 0 FDAARO Cc1ccc(NC(=O)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000067514610 205375405 /nfs/dbraw/zinc/37/54/05/205375405.db2.gz DILGDRMNMXUSIP-CYBMUJFWSA-N 1 0 374.420 1.094 50 0 FDAARO COc1cc(-c2nc(CN3CCO[C@@H](C[NH3+])C3)c(C)o2)cc2c1OCO2 ZINC000067642353 205377859 /nfs/dbraw/zinc/37/78/59/205377859.db2.gz PJKRDKGXKDFFNY-ZDUSSCGKSA-N 1 0 361.398 1.547 50 0 FDAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1c[nH]c(=O)[nH]c1=O ZINC000067674363 205382801 /nfs/dbraw/zinc/38/28/01/205382801.db2.gz HUYLLIQENAXZLS-MRXNPFEDSA-N 1 0 356.426 1.410 50 0 FDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2[nH]c3c(c2c1)CSCC3 ZINC000067696978 205384985 /nfs/dbraw/zinc/38/49/85/205384985.db2.gz XTMYHXNZHWECDL-PXAZEXFGSA-N 1 0 372.494 1.635 50 0 FDAARO CC[C@@H](O)CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067739552 205387867 /nfs/dbraw/zinc/38/78/67/205387867.db2.gz GKIDJMHLBAMKFX-QGZVFWFLSA-N 1 0 362.474 1.201 50 0 FDAARO Cc1ccc(NC(=O)CC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)cc1 ZINC000067726136 205387876 /nfs/dbraw/zinc/38/78/76/205387876.db2.gz SAHKQUYEPAZFTB-UHFFFAOYSA-N 1 0 372.513 1.952 50 0 FDAARO Cc1ccc(C2(O)CCN(C(=O)CC[N@@H+](C)[C@H]3CCN(C)C3)CC2)nc1 ZINC000067756777 205389035 /nfs/dbraw/zinc/38/90/35/205389035.db2.gz KWRKDTHOAMOGBB-KRWDZBQOSA-N 1 0 360.502 1.226 50 0 FDAARO Cc1nc(NCCS(=O)(=O)N2CCCC2)cc(C2CC[NH2+]CC2)n1 ZINC000067771428 205390292 /nfs/dbraw/zinc/39/02/92/205390292.db2.gz FAUDPZBBPWVWOA-UHFFFAOYSA-N 1 0 353.492 1.090 50 0 FDAARO CC(C)(C)NC(=O)C[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067847725 205397500 /nfs/dbraw/zinc/39/75/00/205397500.db2.gz IJOKLMZEILTASB-HXUWFJFHSA-N 1 0 367.534 1.815 50 0 FDAARO O=C(CN1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071551866 205432510 /nfs/dbraw/zinc/43/25/10/205432510.db2.gz WZORWEKVOOPGRI-OAHLLOKOSA-N 1 0 358.269 1.799 50 0 FDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077300426 205587471 /nfs/dbraw/zinc/58/74/71/205587471.db2.gz ZWWRXDWSEWAPAX-KRWDZBQOSA-N 1 0 373.453 1.631 50 0 FDAARO CCCn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)c1C ZINC000077379092 205594687 /nfs/dbraw/zinc/59/46/87/205594687.db2.gz AXBWKAZDODAMMQ-DOTOQJQBSA-N 1 0 361.490 1.274 50 0 FDAARO CN(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1 ZINC000091426067 205671985 /nfs/dbraw/zinc/67/19/85/205671985.db2.gz UVKPNKSUCMBNPF-UHFFFAOYSA-N 1 0 361.490 1.130 50 0 FDAARO Cc1c(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)ccn1C ZINC000091416704 205673143 /nfs/dbraw/zinc/67/31/43/205673143.db2.gz WRFIOXYUCOIIJU-KRWDZBQOSA-N 1 0 372.513 1.882 50 0 FDAARO CCc1nsc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)n1 ZINC000097019900 205893188 /nfs/dbraw/zinc/89/31/88/205893188.db2.gz PNBWFYYQVWPGIB-HNNXBMFYSA-N 1 0 357.483 1.464 50 0 FDAARO O=C(CN1CCC[C@@H](O)C1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000106952378 206016821 /nfs/dbraw/zinc/01/68/21/206016821.db2.gz FVXAOQYDWVGBQW-HXUWFJFHSA-N 1 0 357.498 1.145 50 0 FDAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000044502519 206070069 /nfs/dbraw/zinc/07/00/69/206070069.db2.gz YACFYVLJWJLGGT-VIFPVBQESA-N 1 0 351.241 1.866 50 0 FDAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000237178979 206089118 /nfs/dbraw/zinc/08/91/18/206089118.db2.gz IZHZKYCKZCXLND-BBRMVZONSA-N 1 0 353.413 1.990 50 0 FDAARO COc1ccccc1C[C@H](C)N(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237253428 206095019 /nfs/dbraw/zinc/09/50/19/206095019.db2.gz UAUKJURCDQQDQW-AWEZNQCLSA-N 1 0 357.458 1.914 50 0 FDAARO CN1C(=O)C[C@@H](C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)C1(C)C ZINC000244882633 206120696 /nfs/dbraw/zinc/12/06/96/206120696.db2.gz XVMVNMDGEVYCEJ-SFHVURJKSA-N 1 0 355.482 1.555 50 0 FDAARO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238097100 206112633 /nfs/dbraw/zinc/11/26/33/206112633.db2.gz VNELKEXATSSJBT-QWHCGFSZSA-N 1 0 365.231 1.355 50 0 FDAARO COCC[NH+](CCOC)C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006936812 206206186 /nfs/dbraw/zinc/20/61/86/206206186.db2.gz MMNFODSDYVALMN-INIZCTEOSA-N 1 0 357.447 1.176 50 0 FDAARO CCCC[N@H+](CCO)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008428543 206215562 /nfs/dbraw/zinc/21/55/62/206215562.db2.gz DFCQMGPSDOHJGL-OAHLLOKOSA-N 1 0 355.431 1.316 50 0 FDAARO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000170591749 206269339 /nfs/dbraw/zinc/26/93/39/206269339.db2.gz SCAWDEVXTXUPDK-QZTJIDSGSA-N 1 0 359.470 1.648 50 0 FDAARO O=S(=O)(CCc1ccc2c(c1)CCO2)NC1CC[NH+](CC2CC2)CC1 ZINC000189539519 206324293 /nfs/dbraw/zinc/32/42/93/206324293.db2.gz VYDBZXLKUQVSGK-UHFFFAOYSA-N 1 0 364.511 1.958 50 0 FDAARO Cc1ccn2c(nnc2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000218846653 206374894 /nfs/dbraw/zinc/37/48/94/206374894.db2.gz MBBQLMDGTIEAFU-UHFFFAOYSA-N 1 0 350.426 1.959 50 0 FDAARO CN(Cc1ccccc1-n1cccn1)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000220310115 206399621 /nfs/dbraw/zinc/39/96/21/206399621.db2.gz WCQAOIPJYYQVKI-GOSISDBHSA-N 1 0 355.486 1.857 50 0 FDAARO O=C(COc1cccc(Cl)c1)N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000252552451 206580933 /nfs/dbraw/zinc/58/09/33/206580933.db2.gz USQNUELVOAMUFG-JOQOYGCGSA-N 1 0 352.862 1.974 50 0 FDAARO COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)cc1 ZINC000082096612 132194199 /nfs/dbraw/zinc/19/41/99/132194199.db2.gz UEZVUUXWKVLEAJ-ATLSCFEFSA-N 1 0 357.454 1.495 50 0 FDAARO C[NH+](C)C1(Cn2cc(-c3cnc(N4CCOCC4)nc3)nn2)CCCC1 ZINC000091620126 132202421 /nfs/dbraw/zinc/20/24/21/132202421.db2.gz HDYFHTZJBXYUIN-UHFFFAOYSA-N 1 0 357.462 1.446 50 0 FDAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000095355192 132207196 /nfs/dbraw/zinc/20/71/96/132207196.db2.gz DJTTURYUQKGQLI-MRXNPFEDSA-N 1 0 359.474 1.016 50 0 FDAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2ncccn2)CC1 ZINC000095359316 132207497 /nfs/dbraw/zinc/20/74/97/132207497.db2.gz ZRAOFWSNYDHAQG-INIZCTEOSA-N 1 0 355.442 1.630 50 0 FDAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095369821 132208577 /nfs/dbraw/zinc/20/85/77/132208577.db2.gz HINGSAMYQLOEOT-ZWKOTPCHSA-N 1 0 374.533 1.195 50 0 FDAARO O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095389218 132210461 /nfs/dbraw/zinc/21/04/61/132210461.db2.gz APGXDFQKACQGRR-UHFFFAOYSA-N 1 0 365.393 1.100 50 0 FDAARO Cc1cc(N2CCN(c3cc(N4CCC(O)CC4)ncn3)CC2)cc(C)[nH+]1 ZINC000095512226 132213192 /nfs/dbraw/zinc/21/31/92/132213192.db2.gz ZATLSFQUYLDDCT-UHFFFAOYSA-N 1 0 368.485 1.776 50 0 FDAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2ncccc2F)CC1 ZINC000096152603 132221015 /nfs/dbraw/zinc/22/10/15/132221015.db2.gz PUDBGADEYKKJBJ-UHFFFAOYSA-N 1 0 373.480 1.481 50 0 FDAARO Cc1ccc(C(N)=O)c(N2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000106967085 132240812 /nfs/dbraw/zinc/24/08/12/132240812.db2.gz OAVLDJFRDRYRIS-SFHVURJKSA-N 1 0 368.481 1.605 50 0 FDAARO CC(C)[NH+]1CCC(N2CCN(c3ncnc4nc[nH]c43)C[C@H]2CCO)CC1 ZINC000106969329 132265991 /nfs/dbraw/zinc/26/59/91/132265991.db2.gz ZTODGVARYLCWKM-MRXNPFEDSA-N 1 0 373.505 1.099 50 0 FDAARO Cc1cc(N2CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)cc(C)[nH+]1 ZINC000214985927 132269929 /nfs/dbraw/zinc/26/99/29/132269929.db2.gz VSRJPFOENGCKLR-UHFFFAOYSA-N 1 0 363.421 1.897 50 0 FDAARO [NH3+]C1CC(c2cc(N3CCN(CCc4ccccc4)C(=O)C3)ncn2)C1 ZINC000219943378 132275198 /nfs/dbraw/zinc/27/51/98/132275198.db2.gz UJXCNVVFBHRCGB-UHFFFAOYSA-N 1 0 351.454 1.573 50 0 FDAARO OCCO[C@H]1CCOC[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000220151874 132275479 /nfs/dbraw/zinc/27/54/79/132275479.db2.gz TWGNWOPCXSYHMW-RTWAWAEBSA-N 1 0 360.498 1.900 50 0 FDAARO Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244724147 132290343 /nfs/dbraw/zinc/29/03/43/132290343.db2.gz MONCVPNFSMHZDX-OTVXOJSOSA-N 1 0 360.893 1.995 50 0 FDAARO C[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC000003568285 132385442 /nfs/dbraw/zinc/38/54/42/132385442.db2.gz ZTSSSNZQEWJPLA-UHFFFAOYSA-N 1 0 373.526 1.764 50 0 FDAARO COc1nccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071747028 136139951 /nfs/dbraw/zinc/13/99/51/136139951.db2.gz FVYQUSCKMDPKBL-AWEZNQCLSA-N 1 0 359.474 1.445 50 0 FDAARO COc1ccccc1N1CCC([N@@H+]2CCN[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000072131909 136142186 /nfs/dbraw/zinc/14/21/86/136142186.db2.gz WGRTUQBVUDYNDN-QGZVFWFLSA-N 1 0 358.486 1.216 50 0 FDAARO Nc1nc2c(c(N3CCC[C@H](OCc4ccccn4)C3)n1)CC[NH2+]CC2 ZINC000072419048 136145938 /nfs/dbraw/zinc/14/59/38/136145938.db2.gz OMASAEFPABGKKT-HNNXBMFYSA-N 1 0 354.458 1.328 50 0 FDAARO Cc1ccc(OCCn2ncc(N3CCO[C@@H](CC[NH3+])C3)cc2=O)c(C)c1 ZINC000072422506 136146057 /nfs/dbraw/zinc/14/60/57/136146057.db2.gz SYIYHSUHQSNCBV-SFHVURJKSA-N 1 0 372.469 1.493 50 0 FDAARO Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)cc(N(C)C)[nH+]1 ZINC000072437464 136147528 /nfs/dbraw/zinc/14/75/28/136147528.db2.gz XBUVFIBBADACQQ-UHFFFAOYSA-N 1 0 355.442 1.579 50 0 FDAARO COc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ncn1 ZINC000072473532 136148944 /nfs/dbraw/zinc/14/89/44/136148944.db2.gz AYJHGQLREAOLRQ-KRWDZBQOSA-N 1 0 363.506 1.231 50 0 FDAARO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000333229461 259325113 /nfs/dbraw/zinc/32/51/13/259325113.db2.gz BPSBIYUEMZMSRU-LBPRGKRZSA-N 1 0 368.231 1.650 50 0 FDAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCc2n[nH]c(C(=O)NC)c2C1 ZINC000426535396 263624793 /nfs/dbraw/zinc/62/47/93/263624793.db2.gz FDKZQDVVZGRZAY-CYBMUJFWSA-N 1 0 364.494 1.348 50 0 FDAARO C[NH+]1CCC(N2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)CC1 ZINC000426739695 263666065 /nfs/dbraw/zinc/66/60/65/263666065.db2.gz HTPDFUHZFUAQOF-UHFFFAOYSA-N 1 0 365.481 1.996 50 0 FDAARO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCN(Cc4ccco4)CC3)n2C2CC2)C1 ZINC000222762617 518197748 /nfs/dbraw/zinc/19/77/48/518197748.db2.gz ZEITXAPYVQDKDK-SHTZXODSSA-N 1 0 356.474 1.729 50 0 FDAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)CC1 ZINC000000819213 518220294 /nfs/dbraw/zinc/22/02/94/518220294.db2.gz KEGODSXPGCKUPR-UHFFFAOYSA-N 1 0 361.486 1.777 50 0 FDAARO CCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011667910 518568100 /nfs/dbraw/zinc/56/81/00/518568100.db2.gz PXEQGKOZIAQISZ-MRXNPFEDSA-N 1 0 373.501 1.604 50 0 FDAARO Cc1ncsc1CCCNC(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011873642 518575131 /nfs/dbraw/zinc/57/51/31/518575131.db2.gz AAYDGMHFHMGZLG-UHFFFAOYSA-N 1 0 362.503 1.892 50 0 FDAARO O=C(N[C@@H]1CC(=O)Nc2ccccc21)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011879353 518577743 /nfs/dbraw/zinc/57/77/43/518577743.db2.gz SCEISAQHAPOQQA-MRXNPFEDSA-N 1 0 368.441 1.577 50 0 FDAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2cccn2)CC1 ZINC000011879708 518578099 /nfs/dbraw/zinc/57/80/99/518578099.db2.gz ZMUWWKLQUMAGNM-SFHVURJKSA-N 1 0 364.490 1.249 50 0 FDAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)CC1 ZINC000011950210 518579008 /nfs/dbraw/zinc/57/90/08/518579008.db2.gz CJQFSRNKMGOGQA-UHFFFAOYSA-N 1 0 356.426 1.790 50 0 FDAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCn2cncn2)cc1 ZINC000011963122 518582464 /nfs/dbraw/zinc/58/24/64/518582464.db2.gz BSLGCZQHZVYSHZ-KRWDZBQOSA-N 1 0 371.441 1.236 50 0 FDAARO C[NH+](C)CCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012194867 518596913 /nfs/dbraw/zinc/59/69/13/518596913.db2.gz WPGJSLWWKNUSNH-UHFFFAOYSA-N 1 0 373.906 1.952 50 0 FDAARO C[NH+]1CCN(c2ncccc2CNC(=O)CSc2ccncc2)CC1 ZINC000012304850 518601698 /nfs/dbraw/zinc/60/16/98/518601698.db2.gz JVUDEPGVMDNUAE-UHFFFAOYSA-N 1 0 357.483 1.637 50 0 FDAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012591964 518623595 /nfs/dbraw/zinc/62/35/95/518623595.db2.gz YGBZPUUWYZAYHL-CYBMUJFWSA-N 1 0 361.408 1.778 50 0 FDAARO COc1ccc(-c2c3c(cn2CCC[NH+](C)C)n(C)c(=O)n(C)c3=O)cc1 ZINC000013536148 518659841 /nfs/dbraw/zinc/65/98/41/518659841.db2.gz KYMHYUQKTOCRAF-UHFFFAOYSA-N 1 0 370.453 1.666 50 0 FDAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([N@H+](C)CCO)C2 ZINC000014749563 518698433 /nfs/dbraw/zinc/69/84/33/518698433.db2.gz AQIPUQRRAFJCAC-AWEZNQCLSA-N 1 0 360.433 1.271 50 0 FDAARO CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000014980421 518702713 /nfs/dbraw/zinc/70/27/13/518702713.db2.gz CNRTZMHMAKWWNS-KRWDZBQOSA-N 1 0 369.469 1.840 50 0 FDAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000014955735 518702959 /nfs/dbraw/zinc/70/29/59/518702959.db2.gz AGDPZQVXWNILDS-HXUWFJFHSA-N 1 0 374.481 1.422 50 0 FDAARO Cn1c(=O)cc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)n(C)c1=O ZINC000015065403 518706534 /nfs/dbraw/zinc/70/65/34/518706534.db2.gz CHYHACBTIXQBSA-AWEZNQCLSA-N 1 0 362.474 1.001 50 0 FDAARO CC[NH+]1CCN(CC(=O)Nc2c3cc(C)ccc3n(C)c2C(=O)OC)CC1 ZINC000019371130 518809641 /nfs/dbraw/zinc/80/96/41/518809641.db2.gz SHYVQVMUNNYDJJ-UHFFFAOYSA-N 1 0 372.469 1.849 50 0 FDAARO CCOC(=O)c1n[nH]cc1CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000019720649 518832945 /nfs/dbraw/zinc/83/29/45/518832945.db2.gz DKPLSRFOWKWTJT-INIZCTEOSA-N 1 0 352.479 1.501 50 0 FDAARO OCCN1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019770983 518836486 /nfs/dbraw/zinc/83/64/86/518836486.db2.gz CKNAGKLOJXSPJL-DIGXMAGLSA-N 1 0 366.546 1.580 50 0 FDAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)n1 ZINC000020207481 518844761 /nfs/dbraw/zinc/84/47/61/518844761.db2.gz MNJVCILTCMDRGI-OAHLLOKOSA-N 1 0 356.474 1.873 50 0 FDAARO CO[C@@H]1CN(Cc2cccnc2)C(=O)C[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020137959 518845815 /nfs/dbraw/zinc/84/58/15/518845815.db2.gz MAYNUFRVFJBRHK-FQEVSTJZSA-N 1 0 351.450 1.908 50 0 FDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000020902642 518858848 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C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000022461765 518901041 /nfs/dbraw/zinc/90/10/41/518901041.db2.gz WEIOWKFIXCOMGF-KSZLIROESA-N 1 0 371.481 1.971 50 0 FDAARO O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022782155 518910803 /nfs/dbraw/zinc/91/08/03/518910803.db2.gz WDWUNBDWCMXWTR-UHFFFAOYSA-N 1 0 371.460 1.865 50 0 FDAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000023625085 518959166 /nfs/dbraw/zinc/95/91/66/518959166.db2.gz VNHRBHZXUBMCAC-SJORKVTESA-N 1 0 350.459 1.374 50 0 FDAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000023640303 518959723 /nfs/dbraw/zinc/95/97/23/518959723.db2.gz JZRGHWFEQCUHQC-SJORKVTESA-N 1 0 351.443 1.840 50 0 FDAARO CC(C)C[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC000024990257 519027873 /nfs/dbraw/zinc/02/78/73/519027873.db2.gz NGZWQQBQQQKYCZ-OAHLLOKOSA-N 1 0 368.503 1.966 50 0 FDAARO CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000237557953 519668937 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CN1C(=O)N(C)C2(CC[NH+](Cc3cnc(-c4ccccn4)nc3)CC2)C1=O ZINC000216269349 206357220 /nfs/dbraw/zinc/35/72/20/206357220.db2.gz LWVRGMJUMPNMBC-UHFFFAOYSA-N 1 0 366.425 1.397 50 0 FDAARO O=C(C[C@H]1CCc2ccccc21)NC1CCN(CC(=O)NC2CC2)CC1 ZINC000216397236 206357412 /nfs/dbraw/zinc/35/74/12/206357412.db2.gz MERSZEDNMGIWIJ-MRXNPFEDSA-N 1 0 355.482 1.966 50 0 FDAARO CNc1cc(C)[nH+]c(N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)n1 ZINC000218899730 206374931 /nfs/dbraw/zinc/37/49/31/206374931.db2.gz YPIDZKQEKJPNFG-MJBXVCDLSA-N 1 0 355.446 1.546 50 0 FDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(O)nc3sccn3c2=O)C1 ZINC000022852898 206394016 /nfs/dbraw/zinc/39/40/16/206394016.db2.gz ATXDHNJTFSETTH-RYUDHWBXSA-N 1 0 364.471 1.559 50 0 FDAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000027679321 206456265 /nfs/dbraw/zinc/45/62/65/206456265.db2.gz HVJRIUNQRIIDAH-CYBMUJFWSA-N 1 0 359.517 1.139 50 0 FDAARO COc1ccc(-n2ncc(C(=O)N3CCC[C@@H]([NH3+])C3)c2C(F)(F)F)nn1 ZINC000328593030 533220289 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Cc1cccc(N2CC[NH+](CCC(=O)NCCCn3ccnn3)CC2)c1 ZINC000095368525 132208654 /nfs/dbraw/zinc/20/86/54/132208654.db2.gz DXVXNVOXIYNGIE-UHFFFAOYSA-N 1 0 356.474 1.305 50 0 FDAARO O[C@@H]1CCCN(c2ccnc(N3CCC[N@H+](Cc4cccnc4)CC3)n2)C1 ZINC000108201309 132243025 /nfs/dbraw/zinc/24/30/25/132243025.db2.gz PSNUUCYRIPMFTB-GOSISDBHSA-N 1 0 368.485 1.545 50 0 FDAARO CC(=O)c1ccc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)cc1 ZINC000222224389 132276812 /nfs/dbraw/zinc/27/68/12/132276812.db2.gz HFLWOMQGCOWIKS-UHFFFAOYSA-N 1 0 366.469 1.793 50 0 FDAARO CC[N@@H+]1CCCN(C(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000244646942 132290020 /nfs/dbraw/zinc/29/00/20/132290020.db2.gz GSEFGIFFUYPDNL-UHFFFAOYSA-N 1 0 365.499 1.089 50 0 FDAARO CCn1nc(CO)c2c1CCN(CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000244719185 132290457 /nfs/dbraw/zinc/29/04/57/132290457.db2.gz LYLKOQYDSZTDEX-UHFFFAOYSA-N 1 0 369.513 1.576 50 0 FDAARO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCN(c3ncccc3Cl)CC2)C1 ZINC000244795418 132290826 /nfs/dbraw/zinc/29/08/26/132290826.db2.gz RGAUEGUHSFSUKY-CQSZACIVSA-N 1 0 351.882 1.020 50 0 FDAARO CN1CC[NH+](CCCCNC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000031151847 136117225 /nfs/dbraw/zinc/11/72/25/136117225.db2.gz QQZNBCTYWYMKIG-UHFFFAOYSA-N 1 0 359.518 1.546 50 0 FDAARO COC(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000059314138 136132154 /nfs/dbraw/zinc/13/21/54/136132154.db2.gz FSDALBPIRMMYAZ-GOSISDBHSA-N 1 0 359.470 1.753 50 0 FDAARO Cc1nc2c(c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n1)CC[NH2+]C2 ZINC000071639484 136139695 /nfs/dbraw/zinc/13/96/95/136139695.db2.gz RRIOJGFDNQGPCT-UHFFFAOYSA-N 1 0 367.453 1.482 50 0 FDAARO Cc1cc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)nc(N)[nH+]1 ZINC000072151385 136142871 /nfs/dbraw/zinc/14/28/71/136142871.db2.gz HFSRJGZOTMZAAG-UHFFFAOYSA-N 1 0 350.430 1.270 50 0 FDAARO CCOc1ccc(C[N@@H+]2CCN(c3cc(N)nc(N)n3)C[C@@H]2CCO)cc1 ZINC000072419909 136145787 /nfs/dbraw/zinc/14/57/87/136145787.db2.gz ZDDJKASSFFUNHW-HNNXBMFYSA-N 1 0 372.473 1.113 50 0 FDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)C3CCCC3)CC2)[nH+]1 ZINC000072436802 136147304 /nfs/dbraw/zinc/14/73/04/136147304.db2.gz JKBRSNCXJFGKLE-UHFFFAOYSA-N 1 0 359.474 1.460 50 0 FDAARO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc(N2CCOCC2)n1 ZINC000072448123 136148385 /nfs/dbraw/zinc/14/83/85/136148385.db2.gz CKWGDAMNHFGEMX-KRWDZBQOSA-N 1 0 373.501 1.423 50 0 FDAARO Cc1nc(C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc(N2CCOCC2)n1 ZINC000072479506 136149623 /nfs/dbraw/zinc/14/96/23/136149623.db2.gz NXQCXHMXCMLUCH-INIZCTEOSA-N 1 0 359.474 1.080 50 0 FDAARO Nc1nc2c(c(N3CCSCC3)n1)CC[N@H+](Cc1ccccn1)CC2 ZINC000072481164 136149728 /nfs/dbraw/zinc/14/97/28/136149728.db2.gz YLKDZDQSNZYQMS-UHFFFAOYSA-N 1 0 356.499 1.608 50 0 FDAARO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000409666439 262132707 /nfs/dbraw/zinc/13/27/07/262132707.db2.gz CHFZMPFUPRHDHW-KRWDZBQOSA-N 1 0 364.534 1.119 50 0 FDAARO C[N@H+](CCC1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000011661157 518566468 /nfs/dbraw/zinc/56/64/68/518566468.db2.gz LEGXCTSBIOYNBW-ROUUACIJSA-N 1 0 368.499 1.169 50 0 FDAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH+]1CCSCC1 ZINC000012027673 518583740 /nfs/dbraw/zinc/58/37/40/518583740.db2.gz VVSUSMHSNBKMDD-KRWDZBQOSA-N 1 0 356.438 1.867 50 0 FDAARO C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc43)cn2)CC1 ZINC000012613103 518625034 /nfs/dbraw/zinc/62/50/34/518625034.db2.gz HVOGJIKILDBAPM-UHFFFAOYSA-N 1 0 364.409 1.322 50 0 FDAARO CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000014998636 518705431 /nfs/dbraw/zinc/70/54/31/518705431.db2.gz CAWVATWOCLQNGS-GOSISDBHSA-N 1 0 371.485 1.790 50 0 FDAARO C[N@H+](Cc1ccno1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000015067931 518706845 /nfs/dbraw/zinc/70/68/45/518706845.db2.gz VSOMJSGMIJJVFV-GOSISDBHSA-N 1 0 365.380 1.938 50 0 FDAARO C[C@@](CN1CC[NH2+]CC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000019830913 518837980 /nfs/dbraw/zinc/83/79/80/518837980.db2.gz FVMHRIIKBTULDQ-IBGZPJMESA-N 1 0 359.495 1.786 50 0 FDAARO CCCC[N@H+](C)CCCNC(=O)CCC(=O)N1CCCn2nc(C)cc21 ZINC000021532804 518875879 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C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H]1C[NH3+] ZINC000237422231 178313906 /nfs/dbraw/zinc/31/39/06/178313906.db2.gz MRLHSTVHMNGFIT-PVXIVEMSSA-N 1 0 351.397 1.904 50 0 FDAARO CN(C)c1nc2sc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000262019719 178657612 /nfs/dbraw/zinc/65/76/12/178657612.db2.gz IMVHKAASIUZSSU-NSHDSACASA-N 1 0 365.528 1.544 50 0 FDAARO C[NH+](C)C[C@H]1COCCN(C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)C1 ZINC000299799925 223102694 /nfs/dbraw/zinc/10/26/94/223102694.db2.gz WKMPBRITZPOVRR-LLVKDONJSA-N 1 0 366.393 1.199 50 0 FDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCC(C)CC1 ZINC000010233896 204000716 /nfs/dbraw/zinc/00/07/16/204000716.db2.gz VERJHYPDZCSAFV-UHFFFAOYSA-N 1 0 358.446 1.025 50 0 FDAARO CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000002953432 204069790 /nfs/dbraw/zinc/06/97/90/204069790.db2.gz XRHZGOWNBOSSMR-UHFFFAOYSA-N 1 0 359.536 1.286 50 0 FDAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000006626674 204257580 /nfs/dbraw/zinc/25/75/80/204257580.db2.gz AFDOVFBOEGXHJE-MSOLQXFVSA-N 1 0 359.422 1.961 50 0 FDAARO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000007338956 204295960 /nfs/dbraw/zinc/29/59/60/204295960.db2.gz CYKNGQVBXHRTIP-UHFFFAOYSA-N 1 0 369.462 1.145 50 0 FDAARO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009336460 204363203 /nfs/dbraw/zinc/36/32/03/204363203.db2.gz UYALMZCHWMTFRB-AWEZNQCLSA-N 1 0 374.441 1.397 50 0 FDAARO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[NH+]1CCCCCC1 ZINC000010049525 204389925 /nfs/dbraw/zinc/38/99/25/204389925.db2.gz LMVJHLXJXNKVSQ-UHFFFAOYSA-N 1 0 372.473 1.261 50 0 FDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCC(CO)CC1 ZINC000011997611 204425348 /nfs/dbraw/zinc/42/53/48/204425348.db2.gz MRDYKIFAXJEQLR-LJQANCHMSA-N 1 0 350.434 1.384 50 0 FDAARO COc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000070666351 205025045 /nfs/dbraw/zinc/02/50/45/205025045.db2.gz XFWORLURTVWJAV-BBWFWOEESA-N 1 0 370.449 1.716 50 0 biogenic FDAARO Cn1cc([C@H](CNC(=O)C(=O)NC[C@H]2CCCO2)[NH+](C)C)c2ccccc21 ZINC000075149261 205035050 /nfs/dbraw/zinc/03/50/50/205035050.db2.gz LNMSYQOHPFWUHF-KDOFPFPSSA-N 1 0 372.469 1.192 50 0 FDAARO CC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccccc3C)C2C(=O)OC)CC1 ZINC000039315100 205043837 /nfs/dbraw/zinc/04/38/37/205043837.db2.gz KLZCTCFTBYRTDV-GOSISDBHSA-N 1 0 372.469 1.414 50 0 FDAARO Cc1nnnn1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000079188390 205057264 /nfs/dbraw/zinc/05/72/64/205057264.db2.gz VEXHUWZHZDAMNO-FUHWJXTLSA-N 1 0 354.458 1.965 50 0 biogenic FDAARO Cn1nc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079190598 205058828 /nfs/dbraw/zinc/05/88/28/205058828.db2.gz AMSVRKNGGBAKKR-HNAYVOBHSA-N 1 0 368.481 1.857 50 0 biogenic FDAARO CN1CC[NH+](CCc2ccc(NC(=O)c3ccc(N)c(N)c3)cc2)CC1 ZINC000040449968 205070583 /nfs/dbraw/zinc/07/05/83/205070583.db2.gz DVHORXGGTCIZHB-UHFFFAOYSA-N 1 0 353.470 1.893 50 0 FDAARO COCCN(C(=O)CCNC(=O)c1ccccc1F)C1CC[NH+](C)CC1 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Cn1ccnc1SCCNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000215901333 132270708 /nfs/dbraw/zinc/27/07/08/132270708.db2.gz LSIMOFBZOPCKLJ-UHFFFAOYSA-N 1 0 359.499 1.694 50 0 FDAARO Cc1cccc(CN2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2=O)c1 ZINC000219494441 132274226 /nfs/dbraw/zinc/27/42/26/132274226.db2.gz FSSCGJIWAHWWGO-UHFFFAOYSA-N 1 0 366.469 1.421 50 0 FDAARO C[NH+]1CCN(c2ccc(C(=O)NCC3(Cn4ccnc4)CC3)cc2)CC1 ZINC000219435242 132274514 /nfs/dbraw/zinc/27/45/14/132274514.db2.gz LFVQVPBWFXDHSF-UHFFFAOYSA-N 1 0 353.470 1.845 50 0 FDAARO Cc1nc(SCCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000220753861 132276377 /nfs/dbraw/zinc/27/63/77/132276377.db2.gz JUWKYGBAQMAZQM-UHFFFAOYSA-N 1 0 360.487 1.387 50 0 FDAARO [NH3+]CCCOc1ccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)cc1 ZINC000299791846 132300145 /nfs/dbraw/zinc/30/01/45/132300145.db2.gz DQOWUKBVGSMYIE-INIZCTEOSA-N 1 0 355.442 1.603 50 0 FDAARO [NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)cc1 ZINC000299791860 132300387 /nfs/dbraw/zinc/30/03/87/132300387.db2.gz 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CC[NH+]1CCN(CCCNC(=O)C(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000022457116 206378323 /nfs/dbraw/zinc/37/83/23/206378323.db2.gz MPZKHFPVTOFSRU-UHFFFAOYSA-N 1 0 370.497 1.813 50 0 FDAARO O=C(Cc1ccc(Cl)cc1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000219690774 206389387 /nfs/dbraw/zinc/38/93/87/206389387.db2.gz MTJWKOAEKUQABF-UHFFFAOYSA-N 1 0 365.905 1.483 50 0 FDAARO c1nnc(C2CC[NH+](Cc3ccccc3OCCN3CCOCC3)CC2)[nH]1 ZINC000216433951 206359236 /nfs/dbraw/zinc/35/92/36/206359236.db2.gz ZBJRFEXKBNVUER-UHFFFAOYSA-N 1 0 371.485 1.895 50 0 FDAARO Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)NCCF)c2)cn1 ZINC000216514290 206360074 /nfs/dbraw/zinc/36/00/74/206360074.db2.gz ZJYPYZUXWOSKER-UHFFFAOYSA-N 1 0 365.430 1.876 50 0 FDAARO CC[NH+]1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000022943817 206395422 /nfs/dbraw/zinc/39/54/22/206395422.db2.gz MCZCUAYJOOVGHJ-FQEVSTJZSA-N 1 0 361.486 1.909 50 0 FDAARO Cc1cc(N2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)n2ncnc2n1 ZINC000082106619 132194853 /nfs/dbraw/zinc/19/48/53/132194853.db2.gz 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Cc1nn(C(C)C)c(C)c1CNC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000534592212 540387648 /nfs/dbraw/zinc/38/76/48/540387648.db2.gz MPODCGDECRUBMQ-ROUUACIJSA-N 1 0 363.506 1.821 50 0 FDAARO CO[C@]12CC[N@H+](Cc3cc[nH]n3)[C@H]1C[C@H](NC(=O)C1CCOCC1)CC2 ZINC000534656093 540395201 /nfs/dbraw/zinc/39/52/01/540395201.db2.gz CMHYTLYYYFFPAM-HHXXYDBFSA-N 1 0 362.474 1.465 50 0 FDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1 ZINC000534666909 540397549 /nfs/dbraw/zinc/39/75/49/540397549.db2.gz CVDJZFDJFPOVRL-SFHVURJKSA-N 1 0 369.469 1.510 50 0 FDAARO CC[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cccn2)CC1 ZINC000534670855 540398374 /nfs/dbraw/zinc/39/83/74/540398374.db2.gz GKABMZKQIHPTDV-KRWDZBQOSA-N 1 0 362.522 1.473 50 0 FDAARO O=C(c1cc(-c2ccccn2)n[nH]1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299799807 223102725 /nfs/dbraw/zinc/10/27/25/223102725.db2.gz SUZPQKLBBJQDJE-HNNXBMFYSA-N 1 0 355.442 1.799 50 0 FDAARO O=c1cc(C[N@@H+](C/C=C/c2ccccc2)CCO)nc2c(O)cccn12 ZINC000299766500 203756560 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CCOC(=O)c1c2c(sc1NC(=O)C(=O)NCC[NH+](C)C)CCC2 ZINC000006669400 204259616 /nfs/dbraw/zinc/25/96/16/204259616.db2.gz HMDKSZRNHSADSA-UHFFFAOYSA-N 1 0 353.444 1.030 50 0 FDAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000007728760 204304929 /nfs/dbraw/zinc/30/49/29/204304929.db2.gz SPTFHZFCHUQSJC-UHFFFAOYSA-N 1 0 354.472 1.858 50 0 FDAARO C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc2c(c1)OCCO2 ZINC000008160852 204320819 /nfs/dbraw/zinc/32/08/19/204320819.db2.gz AXUSKDGEINTZAI-SECBINFHSA-N 1 0 361.427 1.382 50 0 FDAARO COc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Br ZINC000036300198 204376058 /nfs/dbraw/zinc/37/60/58/204376058.db2.gz JOZQUKRQTQCATF-UHFFFAOYSA-N 1 0 363.277 1.830 50 0 FDAARO CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014741588 204588155 /nfs/dbraw/zinc/58/81/55/204588155.db2.gz OYHKNLRAKHMWHQ-UHFFFAOYSA-N 1 0 352.479 1.273 50 0 FDAARO COc1cccc(C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)n2nnnc2C)c1 ZINC000048333379 205160027 /nfs/dbraw/zinc/16/00/27/205160027.db2.gz MDMGCNMARVOPBO-SFHVURJKSA-N 1 0 372.473 1.327 50 0 FDAARO COC(=O)CCCNC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562870 205164240 /nfs/dbraw/zinc/16/42/40/205164240.db2.gz LXDIVGBRPBBGBH-UHFFFAOYSA-N 1 0 353.507 1.644 50 0 FDAARO CSc1nnc(CC2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)n1C ZINC000055254259 205212893 /nfs/dbraw/zinc/21/28/93/205212893.db2.gz AEAAXDAAEXYAPK-MRXNPFEDSA-N 1 0 373.526 1.888 50 0 FDAARO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000058162452 205252394 /nfs/dbraw/zinc/25/23/94/205252394.db2.gz CIDOUNVCANNLCP-INIZCTEOSA-N 1 0 367.515 1.605 50 0 FDAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(-n3cnnn3)cc2)o1 ZINC000058213078 205262423 /nfs/dbraw/zinc/26/24/23/205262423.db2.gz ILONFCJXWRKRIV-UHFFFAOYSA-N 1 0 368.441 1.697 50 0 FDAARO CCC[C@H]1CC[N@H+](Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 ZINC000063832688 205293561 /nfs/dbraw/zinc/29/35/61/205293561.db2.gz JYTPJUAOXIUIMJ-HNNXBMFYSA-N 1 0 369.535 1.887 50 0 FDAARO COc1cccc2c1OCCCN(c1nc3c(c(=O)[nH]1)CC[NH2+]CC3)C2 ZINC000063856811 205295341 /nfs/dbraw/zinc/29/53/41/205295341.db2.gz GKFFIQWWPCFSTH-UHFFFAOYSA-N 1 0 356.426 1.256 50 0 FDAARO COCCCNC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256086 205330649 /nfs/dbraw/zinc/33/06/49/205330649.db2.gz NRMCZYYJVMMUAG-SFHVURJKSA-N 1 0 354.454 1.999 50 0 FDAARO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)n1C ZINC000064923184 205309928 /nfs/dbraw/zinc/30/99/28/205309928.db2.gz AHCDVMCAOUCWBB-ZDUSSCGKSA-N 1 0 371.503 1.520 50 0 FDAARO CC(C)N1CCn2nc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)cc2C1 ZINC000065424655 205350630 /nfs/dbraw/zinc/35/06/30/205350630.db2.gz HUTOJZFCIXTVIW-ROUUACIJSA-N 1 0 361.490 1.090 50 0 FDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065329489 205336802 /nfs/dbraw/zinc/33/68/02/205336802.db2.gz LZPJMYFMICSVIU-UHFFFAOYSA-N 1 0 358.442 1.925 50 0 FDAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccccn43)C2)CC1 ZINC000065312669 205336940 /nfs/dbraw/zinc/33/69/40/205336940.db2.gz KJSVMJOCYZAGSL-KRWDZBQOSA-N 1 0 370.501 1.890 50 0 FDAARO CCOc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000065362100 205337688 /nfs/dbraw/zinc/33/76/88/205337688.db2.gz KBULOLIXZJOFCI-UHFFFAOYSA-N 1 0 369.487 1.062 50 0 FDAARO CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)c(Cl)c1)S(C)(=O)=O ZINC000065363285 205338739 /nfs/dbraw/zinc/33/87/39/205338739.db2.gz PFWCPAVERIKLCR-UHFFFAOYSA-N 1 0 373.906 1.952 50 0 FDAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccccc2F)[nH+]1 ZINC000065364841 205339086 /nfs/dbraw/zinc/33/90/86/205339086.db2.gz UFMFECKSCZSIQM-UHFFFAOYSA-N 1 0 359.405 1.603 50 0 FDAARO Cn1c(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)nc2ccccc21 ZINC000065404389 205346497 /nfs/dbraw/zinc/34/64/97/205346497.db2.gz ROKACYZNNLLOHZ-AWEZNQCLSA-N 1 0 367.457 1.137 50 0 FDAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O ZINC000065406570 205348661 /nfs/dbraw/zinc/34/86/61/205348661.db2.gz ITUHARLSBCHTGJ-QGZVFWFLSA-N 1 0 359.470 1.508 50 0 FDAARO COc1cccc(OCCN2CCN(c3ncnc4c3CC[NH2+]C4)CC2)c1 ZINC000067432326 205370757 /nfs/dbraw/zinc/37/07/57/205370757.db2.gz XYOBOALRLYYBNX-UHFFFAOYSA-N 1 0 369.469 1.332 50 0 FDAARO CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCC[NH+](C)C)[C@H](c2ccc(F)cc2)[N@@H+]1C ZINC000067587405 205376379 /nfs/dbraw/zinc/37/63/79/205376379.db2.gz BGTDMYHWDQMEAY-BXWFABGCSA-N 1 0 365.449 1.730 50 0 FDAARO Cc1nc(N2CCCC2)cc(NCCNS(=O)(=O)c2ccccc2)[nH+]1 ZINC000067601977 205376397 /nfs/dbraw/zinc/37/63/97/205376397.db2.gz RIIXVVDGWZQJLX-UHFFFAOYSA-N 1 0 361.471 1.776 50 0 FDAARO Cc1nc(CC(=O)N[C@@H](c2nnc3n2CC[NH2+]CC3)C(C)C)c(C)s1 ZINC000067588521 205377197 /nfs/dbraw/zinc/37/71/97/205377197.db2.gz RQGJRUQJYLBTPO-MRXNPFEDSA-N 1 0 362.503 1.553 50 0 FDAARO COc1cc(-c2nc(CN3CCO[C@H](C[NH3+])C3)c(C)o2)cc2c1OCO2 ZINC000067642348 205378824 /nfs/dbraw/zinc/37/88/24/205378824.db2.gz PJKRDKGXKDFFNY-CYBMUJFWSA-N 1 0 361.398 1.547 50 0 FDAARO Cc1ccc(-n2cccn2)c(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)c1 ZINC000067675727 205381473 /nfs/dbraw/zinc/38/14/73/205381473.db2.gz NSWAADOBKCXRLF-UHFFFAOYSA-N 1 0 367.497 1.967 50 0 FDAARO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1nnc2n1CC[NH2+]CC2 ZINC000067714755 205385455 /nfs/dbraw/zinc/38/54/55/205385455.db2.gz CNCJCVPCUAQJCW-OAHLLOKOSA-N 1 0 374.420 1.015 50 0 FDAARO CN1Cc2ccccc2C[C@@H]1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000067739742 205388118 /nfs/dbraw/zinc/38/81/18/205388118.db2.gz HZKLSTPBDODZCD-GOSISDBHSA-N 1 0 351.516 1.399 50 0 FDAARO COCc1noc(CCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n1 ZINC000067784421 205390639 /nfs/dbraw/zinc/39/06/39/205390639.db2.gz OXGPGTMIPPNCBC-UHFFFAOYSA-N 1 0 366.425 1.973 50 0 FDAARO CCn1c(=O)n(Cc2cc(OC)c(OC)cc2F)nc1[C@@H]1CCC[NH2+]C1 ZINC000067770873 205390888 /nfs/dbraw/zinc/39/08/88/205390888.db2.gz PWHKAZKWGCMCIW-GFCCVEGCSA-N 1 0 364.421 1.736 50 0 FDAARO CC[N@H+](C)CC(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 ZINC000067804727 205391665 /nfs/dbraw/zinc/39/16/65/205391665.db2.gz FZAFPKUKZBPEPN-UHFFFAOYSA-N 1 0 371.485 1.304 50 0 FDAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3ccc[nH]c3=O)C2=O)c1 ZINC000067805920 205394634 /nfs/dbraw/zinc/39/46/34/205394634.db2.gz ZBOOPHQIFQGREK-FQEVSTJZSA-N 1 0 371.437 1.027 50 0 FDAARO C[NH+](C)C1(CNC(=O)c2cc(COc3ccccc3)n[nH]2)CCOCC1 ZINC000067966566 205405801 /nfs/dbraw/zinc/40/58/01/205405801.db2.gz IHIFEPVLBUNREK-UHFFFAOYSA-N 1 0 358.442 1.829 50 0 FDAARO O=C(CCn1cnnc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072153042 205485084 /nfs/dbraw/zinc/48/50/84/205485084.db2.gz DJTROBRAIQSINH-DFQSSKMNSA-N 1 0 351.454 1.757 50 0 FDAARO Cn1c2cc(S(=O)(=O)N3CCCC[C@H]3CC[NH+](C)C)ccc2oc1=O ZINC000077379707 205594390 /nfs/dbraw/zinc/59/43/90/205594390.db2.gz XPEYDEKAPOCIPV-ZDUSSCGKSA-N 1 0 367.471 1.626 50 0 FDAARO CC[NH+](CC)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000089968987 205668026 /nfs/dbraw/zinc/66/80/26/205668026.db2.gz MABMAZHFKUXMID-UHFFFAOYSA-N 1 0 369.487 1.016 50 0 FDAARO CC[NH+](CC)CC(=O)N1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000092046679 205713169 /nfs/dbraw/zinc/71/31/69/205713169.db2.gz LFNJBFARIKBRJN-UHFFFAOYSA-N 1 0 373.505 1.416 50 0 FDAARO Cc1nc(C)c(C(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)s1 ZINC000091657175 205685904 /nfs/dbraw/zinc/68/59/04/205685904.db2.gz GHSWWWOEVFODQR-SFHVURJKSA-N 1 0 367.515 1.695 50 0 FDAARO CNC(=O)c1[nH]nc2c1C[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000097602142 205917053 /nfs/dbraw/zinc/91/70/53/205917053.db2.gz MMAMSZICEADHOY-LBPRGKRZSA-N 1 0 356.426 1.735 50 0 FDAARO C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 ZINC000106166588 206014227 /nfs/dbraw/zinc/01/42/27/206014227.db2.gz RBCIXUXRPLNELJ-MCIONIFRSA-N 1 0 366.428 1.422 50 0 FDAARO C[N@@H+]1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107666886 206021347 /nfs/dbraw/zinc/02/13/47/206021347.db2.gz XUQBJVMOZKWLID-HXUWFJFHSA-N 1 0 359.518 1.929 50 0 FDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000044502517 206070257 /nfs/dbraw/zinc/07/02/57/206070257.db2.gz YACFYVLJWJLGGT-SECBINFHSA-N 1 0 351.241 1.866 50 0 FDAARO COc1ccccc1-n1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000237111548 206086687 /nfs/dbraw/zinc/08/66/87/206086687.db2.gz NDGBSEWHEGINHL-JSGCOSHPSA-N 1 0 350.444 1.287 50 0 FDAARO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2csc(CN)n2)CC1 ZINC000237610400 206104741 /nfs/dbraw/zinc/10/47/41/206104741.db2.gz WTDYXZNRMCYRKU-KBPBESRZSA-N 1 0 351.520 1.232 50 0 FDAARO C[C@H]1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CC[NH2+]1 ZINC000237592796 206104877 /nfs/dbraw/zinc/10/48/77/206104877.db2.gz FIJJPGUUDADMNY-VIFPVBQESA-N 1 0 357.311 1.859 50 0 FDAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000238009288 206111046 /nfs/dbraw/zinc/11/10/46/206111046.db2.gz HPOSOIJTMULKOJ-NHYWBVRUSA-N 1 0 371.890 1.737 50 0 FDAARO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000238103566 206112502 /nfs/dbraw/zinc/11/25/02/206112502.db2.gz VDRLRFVFRSFFDV-HKUYNNGSSA-N 1 0 350.434 1.866 50 0 FDAARO CNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172334959 206282797 /nfs/dbraw/zinc/28/27/97/206282797.db2.gz RJMLUWRNNCRQLM-INIZCTEOSA-N 1 0 374.485 1.931 50 0 FDAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183444171 206317706 /nfs/dbraw/zinc/31/77/06/206317706.db2.gz BREJNBLULVXEIV-ZDUSSCGKSA-N 1 0 365.441 1.714 50 0 FDAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000215042416 206344445 /nfs/dbraw/zinc/34/44/45/206344445.db2.gz SMUFCYLPZNUERF-SFHVURJKSA-N 1 0 362.437 1.882 50 0 FDAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2 ZINC000218861562 206375050 /nfs/dbraw/zinc/37/50/50/206375050.db2.gz DYSAVTNAUIHLEY-SFHVURJKSA-N 1 0 354.458 1.760 50 0 FDAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000022943822 206395731 /nfs/dbraw/zinc/39/57/31/206395731.db2.gz MCZCUAYJOOVGHJ-HXUWFJFHSA-N 1 0 361.486 1.909 50 0 FDAARO CNc1cc(C)[nH+]c(N[C@H]2C[C@@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)n1 ZINC000220020994 206397289 /nfs/dbraw/zinc/39/72/89/206397289.db2.gz YPIDZKQEKJPNFG-IHRRRGAJSA-N 1 0 355.446 1.546 50 0 FDAARO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)C1 ZINC000220057803 206397638 /nfs/dbraw/zinc/39/76/38/206397638.db2.gz HULGZUIIFHJSHC-BEFAXECRSA-N 1 0 358.442 1.374 50 0 FDAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000220267131 206399052 /nfs/dbraw/zinc/39/90/52/206399052.db2.gz IETAPSBSFNOHSO-MRXNPFEDSA-N 1 0 361.877 1.982 50 0 FDAARO COc1ccc2ncc(C(=O)NCC3([NH+](C)C)CCOCC3)c(O)c2c1 ZINC000222877156 206427635 /nfs/dbraw/zinc/42/76/35/206427635.db2.gz KWFMYOFLTCVMKG-UHFFFAOYSA-N 1 0 359.426 1.377 50 0 FDAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cccnc1SCCc1ccccc1 ZINC000244852895 206558484 /nfs/dbraw/zinc/55/84/84/206558484.db2.gz VBGCHOHVAOGHCE-IBGZPJMESA-N 1 0 357.479 1.871 50 0 FDAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)nc(N(C)C)[nH+]1 ZINC000077539335 132189100 /nfs/dbraw/zinc/18/91/00/132189100.db2.gz KOUYTKMQGPXKPQ-IBGZPJMESA-N 1 0 361.490 1.442 50 0 FDAARO C[C@H](NC(=O)c1nccnc1N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078727018 132191515 /nfs/dbraw/zinc/19/15/15/132191515.db2.gz PAQNFUCQORPVFI-LBPRGKRZSA-N 1 0 358.421 1.441 50 0 FDAARO O=C1N(CCO)CCC[C@@]12CC[N@@H+](C1CCN(c3ccccc3)CC1)C2 ZINC000091254834 132200885 /nfs/dbraw/zinc/20/08/85/132200885.db2.gz IBNAZYFYSRBCIC-NRFANRHFSA-N 1 0 357.498 1.962 50 0 FDAARO O=C([C@H]1CC(=O)Nc2ccc(F)cc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091636935 132202759 /nfs/dbraw/zinc/20/27/59/132202759.db2.gz BZOJDSMJYUUJFB-INIZCTEOSA-N 1 0 354.385 1.995 50 0 FDAARO CN1CCN([C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 ZINC000100566264 132232627 /nfs/dbraw/zinc/23/26/27/132232627.db2.gz IPLCBLTWUNHPBG-SFHVURJKSA-N 1 0 356.470 1.556 50 0 FDAARO CN(CC(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1)C1CC[NH2+]CC1 ZINC000216285135 132271108 /nfs/dbraw/zinc/27/11/08/132271108.db2.gz UCKRKKWLEVUTDD-UHFFFAOYSA-N 1 0 368.884 1.812 50 0 FDAARO Cc1nc(CC2CCN(c3cc(C4CC([NH3+])C4)nc(N(C)C)n3)CC2)no1 ZINC000219605532 132274744 /nfs/dbraw/zinc/27/47/44/132274744.db2.gz ZZILBQWEWNVHFF-UHFFFAOYSA-N 1 0 371.489 1.898 50 0 FDAARO COc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)ncn1 ZINC000230163755 132288951 /nfs/dbraw/zinc/28/89/51/132288951.db2.gz FXHBQOKBLRBXLS-LJQANCHMSA-N 1 0 359.474 1.398 50 0 FDAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(O)(c3ccc(F)cc3)CC2)n1 ZINC000244734718 132291011 /nfs/dbraw/zinc/29/10/11/132291011.db2.gz NKQQQPPAUGIIQV-JNSHFYNHSA-N 1 0 357.433 1.891 50 0 FDAARO Cc1nc(C2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)cc(=O)[nH]1 ZINC000244900157 132291845 /nfs/dbraw/zinc/29/18/45/132291845.db2.gz ZXBGUKAIBGAVKS-BETUJISGSA-N 1 0 355.446 1.452 50 0 FDAARO Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)ccc1=O ZINC000003357803 132385157 /nfs/dbraw/zinc/38/51/57/132385157.db2.gz QKJDQPXQCKYJJF-UHFFFAOYSA-N 1 0 361.833 1.438 50 0 FDAARO C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3cc[nH+]cc3)CC1)C2=O ZINC000023641282 132908952 /nfs/dbraw/zinc/90/89/52/132908952.db2.gz VBNYDCDDJKBYGP-HNAYVOBHSA-N 1 0 357.458 1.662 50 0 FDAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000056202859 136127698 /nfs/dbraw/zinc/12/76/98/136127698.db2.gz LHZAXKVPDSSZPS-IBGZPJMESA-N 1 0 367.497 1.982 50 0 FDAARO CCOc1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000056793041 136127740 /nfs/dbraw/zinc/12/77/40/136127740.db2.gz MOAALBYMVCDDJG-UHFFFAOYSA-N 1 0 355.442 1.557 50 0 FDAARO Nc1nccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071757112 136140523 /nfs/dbraw/zinc/14/05/23/136140523.db2.gz MQVACCDWJSEZGZ-OAHLLOKOSA-N 1 0 358.490 1.362 50 0 FDAARO COc1ccccc1N1CCC([N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)CC1 ZINC000072131908 136142088 /nfs/dbraw/zinc/14/20/88/136142088.db2.gz WGRTUQBVUDYNDN-KRWDZBQOSA-N 1 0 358.486 1.216 50 0 FDAARO CCN(C)C(=O)C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072137283 136142513 /nfs/dbraw/zinc/14/25/13/136142513.db2.gz WPHZATLRXKMPTP-SFHVURJKSA-N 1 0 374.529 1.760 50 0 FDAARO C[NH2+]CC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072149096 136142744 /nfs/dbraw/zinc/14/27/44/136142744.db2.gz VVJHQYMQGCLVDU-KRWDZBQOSA-N 1 0 350.894 1.672 50 0 FDAARO CCN1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)CC1=O ZINC000072411863 136145460 /nfs/dbraw/zinc/14/54/60/136145460.db2.gz UXLUVKWQQHJFCT-UHFFFAOYSA-N 1 0 351.454 1.500 50 0 FDAARO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c(F)c1 ZINC000072427150 136146546 /nfs/dbraw/zinc/14/65/46/136146546.db2.gz MXTOJBLUTCYFKM-QWHCGFSZSA-N 1 0 369.462 1.005 50 0 FDAARO OC[C@@]1(O)CCC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000072430253 136146867 /nfs/dbraw/zinc/14/68/67/136146867.db2.gz PTPWLAUOPIHHGP-HXUWFJFHSA-N 1 0 357.454 1.391 50 0 FDAARO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092771765 172304575 /nfs/dbraw/zinc/30/45/75/172304575.db2.gz BIYHJTVKFPAHHR-DLBZAZTESA-N 1 0 365.499 1.191 50 0 FDAARO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000181618617 174237081 /nfs/dbraw/zinc/23/70/81/174237081.db2.gz CMLPHDGZNBBFPO-IZHWHUGBSA-N 1 0 351.516 1.714 50 0 FDAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[C@](F)(CO)C1 ZINC000332727656 259290420 /nfs/dbraw/zinc/29/04/20/259290420.db2.gz SSAVCCVYGSVWJT-IEBWSBKVSA-N 1 0 365.449 1.393 50 0 FDAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000426358150 263563367 /nfs/dbraw/zinc/56/33/67/263563367.db2.gz AZQJAAPZSTWEAW-UHFFFAOYSA-N 1 0 355.442 1.641 50 0 FDAARO CCN(Cc1noc(C2CC2)n1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426489902 263603903 /nfs/dbraw/zinc/60/39/03/263603903.db2.gz LFLKLIOGPAVCCY-CQSZACIVSA-N 1 0 358.446 1.659 50 0 FDAARO CCc1cc(N2CCN(C(=O)c3cc(C)ccc3OCC[NH3+])CC2)ncn1 ZINC000426529333 263622089 /nfs/dbraw/zinc/62/20/89/263622089.db2.gz OMXHXBUXGIIQSF-UHFFFAOYSA-N 1 0 369.469 1.647 50 0 FDAARO Cn1c2ncn(C[NH+]3CCC(Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000000808495 518219760 /nfs/dbraw/zinc/21/97/60/518219760.db2.gz MEMJTXZXAPWSNH-UHFFFAOYSA-N 1 0 367.453 1.346 50 0 FDAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000001060700 518225828 /nfs/dbraw/zinc/22/58/28/518225828.db2.gz FPJXJJGSDXIDQQ-UHFFFAOYSA-N 1 0 362.449 1.570 50 0 FDAARO COCC[NH2+]CCOCCOc1ccccc1I ZINC000002980690 518256092 /nfs/dbraw/zinc/25/60/92/518256092.db2.gz FGSIKWRJMOSRBL-UHFFFAOYSA-N 1 0 365.211 1.923 50 0 FDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1 ZINC000012069400 518585829 /nfs/dbraw/zinc/58/58/29/518585829.db2.gz AIJHVHQYZHUGIN-UHFFFAOYSA-N 1 0 358.486 1.374 50 0 FDAARO CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 ZINC000012217945 518596873 /nfs/dbraw/zinc/59/68/73/518596873.db2.gz DWNVGZCCWXGFQX-GOSISDBHSA-N 1 0 371.485 1.742 50 0 FDAARO CCOC(=O)c1[nH]c(C[n+]2cccc(C(N)=O)c2)c(C(=O)OCC)c1C ZINC000013137630 518651840 /nfs/dbraw/zinc/65/18/40/518651840.db2.gz JPSSEVHIBKWFDJ-UHFFFAOYSA-O 1 0 360.390 1.111 50 0 FDAARO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC[NH+](C)C ZINC000013668443 518664746 /nfs/dbraw/zinc/66/47/46/518664746.db2.gz BRZIMNNYGRVIPH-UHFFFAOYSA-N 1 0 367.515 1.851 50 0 FDAARO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)Cc1ccccc1 ZINC000014072269 518673071 /nfs/dbraw/zinc/67/30/71/518673071.db2.gz JWGCGDRBJGKJRP-OAHLLOKOSA-N 1 0 350.422 1.826 50 0 FDAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([NH2+]CCCO)CC2 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O[C@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)CN1CCOCC1 ZINC000011934105 207331715 /nfs/dbraw/zinc/33/17/15/207331715.db2.gz HOTAIJNERDNKFK-IBGZPJMESA-N 1 0 374.485 1.135 50 0 FDAARO CC(C)/C=C/C[N@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000011881369 207327350 /nfs/dbraw/zinc/32/73/50/207327350.db2.gz ATXPIDOTKXYXNK-SNAWJCMRSA-N 1 0 368.485 1.716 50 0 FDAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@@H](C)COC)CC2)c1 ZINC000012578435 207395680 /nfs/dbraw/zinc/39/56/80/207395680.db2.gz OYFHUZULQOSPMC-HNNXBMFYSA-N 1 0 350.459 1.941 50 0 FDAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1=O ZINC000020604607 207746258 /nfs/dbraw/zinc/74/62/58/207746258.db2.gz PZQUBCWGAJWEDL-HXUWFJFHSA-N 1 0 371.481 1.846 50 0 FDAARO CCCC[N@H+](CC)CCCNC(=O)C1=NS(=O)(=O)c2ccccc2N1 ZINC000033265403 208079202 /nfs/dbraw/zinc/07/92/02/208079202.db2.gz PXOHZRWMINMCPS-UHFFFAOYSA-N 1 0 366.487 1.828 50 0 FDAARO CC(=O)Nc1ccccc1OCc1noc(C(=O)NCCC[NH+](C)C)n1 ZINC000036359021 208158631 /nfs/dbraw/zinc/15/86/31/208158631.db2.gz 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50 0 biogenic FDAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000020455439 523772057 /nfs/dbraw/zinc/77/20/57/523772057.db2.gz WSVYCCHENZAMAK-INIZCTEOSA-N 1 0 355.486 1.757 50 0 FDAARO O=C(CCSc1ccc2c(c1)OCCO2)NCC[N@H+]1CCC[C@@H](O)C1 ZINC000055270458 523784718 /nfs/dbraw/zinc/78/47/18/523784718.db2.gz CNSMFIAPHUMGAI-CQSZACIVSA-N 1 0 366.483 1.513 50 0 FDAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468285 524360678 /nfs/dbraw/zinc/36/06/78/524360678.db2.gz KDCOXQPMYFXHCP-INIZCTEOSA-N 1 0 351.516 1.723 50 0 FDAARO O=c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc2sccn21 ZINC000085876362 524373302 /nfs/dbraw/zinc/37/33/02/524373302.db2.gz XIGIBFSEBMFGPF-OLZOCXBDSA-N 1 0 354.435 1.537 50 0 biogenic FDAARO COc1ccccc1OCCn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000020209826 524678098 /nfs/dbraw/zinc/67/80/98/524678098.db2.gz WHVWHBGBSFQPLK-UHFFFAOYSA-N 1 0 358.442 1.506 50 0 FDAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2CO)CC1 ZINC000091391158 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50 0 FDAARO Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000091645916 524752086 /nfs/dbraw/zinc/75/20/86/524752086.db2.gz NTVLXYKZECAFBX-UHFFFAOYSA-N 1 0 360.506 1.388 50 0 FDAARO COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091645703 524752506 /nfs/dbraw/zinc/75/25/06/524752506.db2.gz KDKGQEKDQYBLIP-IAGOWNOFSA-N 1 0 363.502 1.178 50 0 FDAARO [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 ZINC000091693551 524762229 /nfs/dbraw/zinc/76/22/29/524762229.db2.gz DTURCSZJDIRSCP-SFHVURJKSA-N 1 0 359.470 1.300 50 0 FDAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1CO ZINC000091713682 524767881 /nfs/dbraw/zinc/76/78/81/524767881.db2.gz ADBJEVNMAPPYPI-QZTJIDSGSA-N 1 0 372.465 1.804 50 0 FDAARO CCn1cc(C[NH+]2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)cn1 ZINC000091745293 524771326 /nfs/dbraw/zinc/77/13/26/524771326.db2.gz CXXSAONDGIRJMU-UHFFFAOYSA-N 1 0 368.489 1.964 50 0 FDAARO CC(=O)c1cc(CN2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cs1 ZINC000091746151 524772867 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CC[NH+]1CCN(CCNC(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1 ZINC000022937628 518923543 /nfs/dbraw/zinc/92/35/43/518923543.db2.gz GCEVWKLMXHOBSI-UHFFFAOYSA-N 1 0 353.470 1.543 50 0 FDAARO CC(C)C[C@@H]1CC(=O)N(CC(=O)N2CCC([NH+]3CCSCC3)CC2)C1 ZINC000020481959 519259579 /nfs/dbraw/zinc/25/95/79/519259579.db2.gz IBZGSAWOCKPBAG-MRXNPFEDSA-N 1 0 367.559 1.921 50 0 FDAARO N=C1N=C(CSCC2=[NH+][C@@H]3C=CC=CC3=C(N)N2)N[C@@H]2C=CCC=C12 ZINC000038748121 519636109 /nfs/dbraw/zinc/63/61/09/519636109.db2.gz GWZGKYOJBSRFGU-ZIAGYGMSSA-N 1 0 352.467 1.053 50 0 FDAARO CCCCOC[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000020807832 520799286 /nfs/dbraw/zinc/79/92/86/520799286.db2.gz SZGZECNJOSGQQZ-MOPGFXCFSA-N 1 0 364.486 1.474 50 0 FDAARO CCOc1ccc(CC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000091526477 520933306 /nfs/dbraw/zinc/93/33/06/520933306.db2.gz FATYZBFCWSNODY-MSOLQXFVSA-N 1 0 362.470 1.345 50 0 FDAARO CC[N@@H+]1CCC[C@@H](c2cn(Cc3ccc4c(c3)n(C)c(=O)n4C)nn2)C1 ZINC000091595808 521627834 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[NH3+]C[C@H]1CN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CCO1 ZINC000091547363 524720733 /nfs/dbraw/zinc/72/07/33/524720733.db2.gz IFTFDLGQKORMOU-XACAWQSSSA-N 1 0 372.469 1.037 50 0 FDAARO COc1ccc([C@H]2CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@@H]2[NH3+])cc1 ZINC000091535217 524721206 /nfs/dbraw/zinc/72/12/06/524721206.db2.gz BOIRDKBVXQEJHC-CVEARBPZSA-N 1 0 367.453 1.513 50 0 FDAARO COc1ccc(OC)c([C@@H]2CCN(C(=O)CN(C)C3CC[NH2+]CC3)C2)c1 ZINC000091575279 524728512 /nfs/dbraw/zinc/72/85/12/524728512.db2.gz VTGNXMGEZGHAFS-OAHLLOKOSA-N 1 0 361.486 1.704 50 0 FDAARO Cc1nc(C(C)C)ncc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091563509 524729491 /nfs/dbraw/zinc/72/94/91/524729491.db2.gz JGLSNUZGJONYKF-IBGZPJMESA-N 1 0 359.474 1.335 50 0 FDAARO CCN1CCC(CNC(=O)[C@@H](c2ccccc2F)N(C)C)([NH+](C)C)CC1 ZINC000091644994 524751762 /nfs/dbraw/zinc/75/17/62/524751762.db2.gz GABSGBAHVSEOOQ-GOSISDBHSA-N 1 0 364.509 1.961 50 0 FDAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000091657079 524754952 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FIXUJGQSXVUAPM-UONOGXRCSA-N 1 0 353.260 1.710 50 0 FDAARO CC(C)C(=O)N1CCc2nnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2CC1 ZINC000257190492 537252631 /nfs/dbraw/zinc/25/26/31/537252631.db2.gz MWCVRLLNDBJEPT-QGZVFWFLSA-N 1 0 368.485 1.703 50 0 FDAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CCn2c3ccccc3oc2=O)C1 ZINC000215109919 537435547 /nfs/dbraw/zinc/43/55/47/537435547.db2.gz IDWLVZKOEMKDJP-CYBMUJFWSA-N 1 0 357.414 1.095 50 0 FDAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3ccc(=O)n(C)n3)O2)CC1 ZINC000215322408 537436628 /nfs/dbraw/zinc/43/66/28/537436628.db2.gz PBAJUFXJXDZRTF-MRXNPFEDSA-N 1 0 374.485 1.490 50 0 FDAARO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215656968 537438964 /nfs/dbraw/zinc/43/89/64/537438964.db2.gz WMUMQLAMUVDSPX-LJQANCHMSA-N 1 0 361.486 1.498 50 0 FDAARO O=C(COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000215746999 537441201 /nfs/dbraw/zinc/44/12/01/537441201.db2.gz QACNRAKSGJFLFE-GOSISDBHSA-N 1 0 359.470 1.204 50 0 FDAARO C[C@H]1CCC[N@H+](CCOc2ccc(CN3CCN(C(N)=O)CC3)cc2)C1 ZINC000216409706 537448045 /nfs/dbraw/zinc/44/80/45/537448045.db2.gz XDJOJIPIELFFHN-KRWDZBQOSA-N 1 0 360.502 1.994 50 0 FDAARO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1O ZINC000216408168 537448527 /nfs/dbraw/zinc/44/85/27/537448527.db2.gz OHGZBZJBJLRHST-MOPGFXCFSA-N 1 0 362.470 1.660 50 0 FDAARO Cc1nnccc1C(=O)NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284629923 537463194 /nfs/dbraw/zinc/46/31/94/537463194.db2.gz QGRSBDLGXJKTJG-KBXCAEBGSA-N 1 0 354.458 1.864 50 0 FDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cnc(Nc2ccccc2)nc1 ZINC000220050863 537484082 /nfs/dbraw/zinc/48/40/82/537484082.db2.gz QBKWTJPAEXINSZ-YYIAUSFCSA-N 1 0 353.426 1.668 50 0 FDAARO COCc1nc(NC2CCN(C(=O)C3CC3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000220308900 537488516 /nfs/dbraw/zinc/48/85/16/537488516.db2.gz DOKRZDKJROZCIO-UHFFFAOYSA-N 1 0 359.474 1.641 50 0 FDAARO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CCOCC1 ZINC000222756307 537510665 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Cc1nc(-c2ccc(NC(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)n[nH]1 ZINC000299777302 537595063 /nfs/dbraw/zinc/59/50/63/537595063.db2.gz KYKDTFRJGAHANM-AWEZNQCLSA-N 1 0 371.445 1.099 50 0 FDAARO CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CCOCC1 ZINC000240225429 537645673 /nfs/dbraw/zinc/64/56/73/537645673.db2.gz DHTATQQFEKFZSJ-HKUYNNGSSA-N 1 0 369.550 1.741 50 0 FDAARO CN(C)S(=O)(=O)CCC[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000244690854 537650394 /nfs/dbraw/zinc/65/03/94/537650394.db2.gz IYCXFQJTNGLFIC-UHFFFAOYSA-N 1 0 363.487 1.085 50 0 FDAARO Cc1nonc1N1CCN(C(=O)[C@H](c2ccc3c(c2)OCO3)N(C)C)CC1 ZINC000244734729 537651093 /nfs/dbraw/zinc/65/10/93/537651093.db2.gz NKXLGGDCWVPAAZ-INIZCTEOSA-N 1 0 373.413 1.058 50 0 FDAARO Nc1nnc(SCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000244852854 537654429 /nfs/dbraw/zinc/65/44/29/537654429.db2.gz VAAVDVKZYFCKEA-CYBMUJFWSA-N 1 0 363.512 1.851 50 0 FDAARO O=C(c1cc(-n2cnnn2)ccc1O)N1CCC([NH+]2CCSCC2)CC1 ZINC000244852602 537654703 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CC(=O)c1ccc(OCC(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000012442759 518614094 /nfs/dbraw/zinc/61/40/94/518614094.db2.gz BWWGCRBPLSOXSS-GOSISDBHSA-N 1 0 373.497 1.943 50 0 FDAARO COc1ccccc1CCCNC(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000012441945 518615232 /nfs/dbraw/zinc/61/52/32/518615232.db2.gz ZROSQLYCLFWPDH-KRWDZBQOSA-N 1 0 361.486 1.544 50 0 FDAARO Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000012587849 518622393 /nfs/dbraw/zinc/62/23/93/518622393.db2.gz POIGTRUVWQNLHQ-SFHVURJKSA-N 1 0 361.534 1.765 50 0 FDAARO C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012984317 518647572 /nfs/dbraw/zinc/64/75/72/518647572.db2.gz VFNUAXKGWDJMMZ-HNNXBMFYSA-N 1 0 367.453 1.590 50 0 FDAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCC(=O)N4)cn2)CC1 ZINC000014521713 518692497 /nfs/dbraw/zinc/69/24/97/518692497.db2.gz JOGOKASBCYTGMA-UHFFFAOYSA-N 1 0 367.409 1.417 50 0 FDAARO O=c1cc(N2CC[NH2+]CC2)cnn1Cc1csc(-c2ccccc2)n1 ZINC000020919720 518861775 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CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccccc1 ZINC000032311524 519494090 /nfs/dbraw/zinc/49/40/90/519494090.db2.gz SIAAQQFDIDRFLF-CVEARBPZSA-N 1 0 358.442 1.030 50 0 FDAARO CS(=O)(=O)Nc1cc(C(=O)NC2CCCC2)ccc1N1CC[NH2+]CC1 ZINC000033034237 519565536 /nfs/dbraw/zinc/56/55/36/519565536.db2.gz FHJFMLSFJIEOMZ-UHFFFAOYSA-N 1 0 366.487 1.140 50 0 FDAARO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000040009512 519637898 /nfs/dbraw/zinc/63/78/98/519637898.db2.gz CLFSCKWVMJGWDX-QGZVFWFLSA-N 1 0 373.478 1.599 50 0 FDAARO Cc1nn(C)c(C)c1CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000040089967 519640027 /nfs/dbraw/zinc/64/00/27/519640027.db2.gz OQYUIFVMPGMGBC-UHFFFAOYSA-N 1 0 355.486 1.966 50 0 FDAARO CC(C)[C@H]1C[N@H+](CCC(=O)N2CCC(C)CC2)C[C@@H]1NS(C)(=O)=O ZINC000091255557 519826737 /nfs/dbraw/zinc/82/67/37/519826737.db2.gz OXCCEDDJJJOWHI-CVEARBPZSA-N 1 0 359.536 1.141 50 0 FDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559083 520514471 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Cc1ccc(F)c(C[NH+]2CCC(Cn3cc(CNC(N)=O)nn3)CC2)c1 ZINC000019770364 518836336 /nfs/dbraw/zinc/83/63/36/518836336.db2.gz OTJOUGKIXQBOLP-UHFFFAOYSA-N 1 0 360.437 1.806 50 0 FDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC000021793784 518881901 /nfs/dbraw/zinc/88/19/01/518881901.db2.gz YPDGJPYHHQVHFL-UHFFFAOYSA-N 1 0 367.453 1.584 50 0 FDAARO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000023249326 518938710 /nfs/dbraw/zinc/93/87/10/518938710.db2.gz XDSVYMDGWXSUOL-RTBURBONSA-N 1 0 353.466 1.755 50 0 FDAARO C[C@@H](C1CC1)[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000024672925 519001507 /nfs/dbraw/zinc/00/15/07/519001507.db2.gz FFYRYQZYHBRXEO-ZDUSSCGKSA-N 1 0 370.453 1.150 50 0 FDAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000025331920 519055922 /nfs/dbraw/zinc/05/59/22/519055922.db2.gz HZSOEEBXKYAAGD-CQSZACIVSA-N 1 0 359.517 1.139 50 0 FDAARO CCOc1cc(C[NH2+]CCn2ccnc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000025359789 519059010 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C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)NCCF)c1 ZINC000095365692 525039987 /nfs/dbraw/zinc/03/99/87/525039987.db2.gz BWGRMTRLDYMFBA-AWEZNQCLSA-N 1 0 357.451 1.149 50 0 FDAARO CN1CC2(CCN(C(=O)C3CC[NH+](Cc4ccco4)CC3)CC2)OC1=O ZINC000095375129 525050307 /nfs/dbraw/zinc/05/03/07/525050307.db2.gz DYKSQBGVUNRHNL-UHFFFAOYSA-N 1 0 361.442 1.935 50 0 FDAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC(O)(Cn2ccnc2)CC1 ZINC000095377386 525052802 /nfs/dbraw/zinc/05/28/02/525052802.db2.gz HFIOOXAVXLFMEJ-UHFFFAOYSA-N 1 0 372.469 1.742 50 0 FDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)CC1 ZINC000095385517 525060690 /nfs/dbraw/zinc/06/06/90/525060690.db2.gz AQNXGECWXVLZPY-QGZVFWFLSA-N 1 0 373.501 1.822 50 0 FDAARO CCc1ncc(C(=O)NC[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)cn1 ZINC000095389291 525062218 /nfs/dbraw/zinc/06/22/18/525062218.db2.gz DDQGGZSVPWTVFG-FRIZHTMISA-N 1 0 372.444 1.962 50 0 FDAARO C[NH+](C)CCOc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccn1 ZINC000095447608 525069646 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Cc1cccc(=O)n1CCCNc1nc(N(C)C)nc2c1CC[NH2+]CC2 ZINC000072457135 221538392 /nfs/dbraw/zinc/53/83/92/221538392.db2.gz UQNPEQOCHFDDQT-UHFFFAOYSA-N 1 0 356.474 1.203 50 0 FDAARO O=C(C[NH+]1CCCC1)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072463679 221540921 /nfs/dbraw/zinc/54/09/21/221540921.db2.gz OIOIHMXZNFLGGW-NRFANRHFSA-N 1 0 370.497 1.909 50 0 FDAARO O=C(Cc1ccc(Cl)cc1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077302631 221604218 /nfs/dbraw/zinc/60/42/18/221604218.db2.gz ZSRJHMHJRPQPBZ-SFHVURJKSA-N 1 0 352.862 1.568 50 0 FDAARO Cc1nc(CCNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)sc1C ZINC000077454388 221628962 /nfs/dbraw/zinc/62/89/62/221628962.db2.gz YCDKRNDZEHJSPO-AWEZNQCLSA-N 1 0 362.503 1.856 50 0 FDAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095379639 221883333 /nfs/dbraw/zinc/88/33/33/221883333.db2.gz XIYOWSFCKQROCH-AWEZNQCLSA-N 1 0 370.453 1.430 50 0 FDAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@@H+]1C1CCCCC1 ZINC000096133285 222037721 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CSCC[NH+]1CCC(NC(=O)Nc2cccc(CC(N)=O)c2)CC1 ZINC000097272502 222171657 /nfs/dbraw/zinc/17/16/57/222171657.db2.gz SKOQPNBBYHJLBV-UHFFFAOYSA-N 1 0 350.488 1.663 50 0 FDAARO CC(C)[C@H]1C=CCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097360116 222177593 /nfs/dbraw/zinc/17/75/93/222177593.db2.gz HYIXKDYQDFWWLX-QGZVFWFLSA-N 1 0 363.483 1.317 50 0 FDAARO O=C(Cn1cccnc1=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000097402451 222179269 /nfs/dbraw/zinc/17/92/69/222179269.db2.gz JAEVMGDPPKOEPV-SFHVURJKSA-N 1 0 354.454 1.314 50 0 FDAARO O=C([C@H]1Cc2ccccc2C(=O)N1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097797469 222213042 /nfs/dbraw/zinc/21/30/42/222213042.db2.gz PZSXLFCEKKAAEV-QGZVFWFLSA-N 1 0 359.495 1.381 50 0 FDAARO Cc1c(C[N@H+](C)CC2(CO)CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000097797218 222213194 /nfs/dbraw/zinc/21/31/94/222213194.db2.gz CYKYPUSKBIVROI-UHFFFAOYSA-N 1 0 359.470 1.705 50 0 FDAARO O=C([C@H]1Cc2ccccc2C(=O)N1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097805760 222215167 /nfs/dbraw/zinc/21/51/67/222215167.db2.gz QBLDXIFBWPMHJX-QGZVFWFLSA-N 1 0 359.495 1.381 50 0 FDAARO C[N@H+](CCCC[NH+]1CCOCC1)C[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000102351780 222295051 /nfs/dbraw/zinc/29/50/51/222295051.db2.gz ICNGVRKGNPFZTC-OWZKRDHZSA-N 1 0 363.546 1.925 50 0 FDAARO COc1cc(Br)c(C[NH2+]C[C@@H]2CN(C)CCO2)cc1OC ZINC000105472620 222368965 /nfs/dbraw/zinc/36/89/65/222368965.db2.gz MUCFGDVZOKSGLZ-GFCCVEGCSA-N 1 0 359.264 1.887 50 0 FDAARO CCOc1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1OC ZINC000107413805 222394788 /nfs/dbraw/zinc/39/47/88/222394788.db2.gz ZNKMQNKEJVHZFT-HXUWFJFHSA-N 1 0 361.486 1.880 50 0 FDAARO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000333886097 259390109 /nfs/dbraw/zinc/39/01/09/259390109.db2.gz XFDRCHOODKGLGG-DZGCQCFKSA-N 1 0 351.472 1.247 50 0 FDAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000002138958 518237456 /nfs/dbraw/zinc/23/74/56/518237456.db2.gz VXXVKBAIEQIJHK-CJNGLKHVSA-N 1 0 367.490 1.010 50 0 biogenic FDAARO C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000002633048 518246203 /nfs/dbraw/zinc/24/62/03/518246203.db2.gz HRFDBSYTMSLANE-LBPRGKRZSA-N 1 0 373.906 1.559 50 0 FDAARO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCC[NH+]1CCCCC1 ZINC000002943554 518254323 /nfs/dbraw/zinc/25/43/23/518254323.db2.gz YPPKTQUGTSYUNI-UHFFFAOYSA-N 1 0 354.454 1.903 50 0 FDAARO C[NH+](C)CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004941603 518320232 /nfs/dbraw/zinc/32/02/32/518320232.db2.gz HISUPGQRVWCITQ-UHFFFAOYSA-N 1 0 373.482 1.626 50 0 FDAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005245328 518335601 /nfs/dbraw/zinc/33/56/01/518335601.db2.gz IAIZSGJNIKRXPP-UHFFFAOYSA-N 1 0 367.409 1.750 50 0 FDAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000005560229 518348373 /nfs/dbraw/zinc/34/83/73/518348373.db2.gz PSJLCWZLTKUESW-MRXNPFEDSA-N 1 0 365.426 1.568 50 0 FDAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000006703066 518382175 /nfs/dbraw/zinc/38/21/75/518382175.db2.gz VAAUMBZQBDJZAC-UHFFFAOYSA-N 1 0 353.488 1.074 50 0 FDAARO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH+]3CCC(C(N)=O)CC3)CO2)CC1 ZINC000006747699 518384642 /nfs/dbraw/zinc/38/46/42/518384642.db2.gz KGIOBQDBIAELOZ-HNNXBMFYSA-N 1 0 367.490 1.742 50 0 FDAARO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000006784275 518385781 /nfs/dbraw/zinc/38/57/81/518385781.db2.gz BWKXZFWPHFITAG-HNNXBMFYSA-N 1 0 359.536 1.286 50 0 FDAARO C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1ncn2cccc2c1=O ZINC000006799752 518386189 /nfs/dbraw/zinc/38/61/89/518386189.db2.gz XBCBZURHYPNHDR-HNNXBMFYSA-N 1 0 359.474 1.828 50 0 FDAARO C[NH+](C)CCNC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000006796996 518386854 /nfs/dbraw/zinc/38/68/54/518386854.db2.gz IOFSLJAASIOHPZ-UHFFFAOYSA-N 1 0 356.451 1.871 50 0 FDAARO Nc1cc(N)[nH+]c(SCC(=O)c2cc3c4c(c2)CCCN4C(=O)C3)n1 ZINC000007735282 518435002 /nfs/dbraw/zinc/43/50/02/518435002.db2.gz SYZUVVYVLWRRAV-UHFFFAOYSA-N 1 0 355.423 1.451 50 0 FDAARO CCCn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000007990606 518448956 /nfs/dbraw/zinc/44/89/56/518448956.db2.gz MRQAKJZGXZMBBY-HNNXBMFYSA-N 1 0 370.453 1.721 50 0 FDAARO Cn1nc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc2c1=O ZINC000008754187 518485598 /nfs/dbraw/zinc/48/55/98/518485598.db2.gz ARIPYPCFMXSNPE-INIZCTEOSA-N 1 0 364.449 1.836 50 0 FDAARO O=C(C=Cc1ccc2c(c1)OCO2)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996175 518492715 /nfs/dbraw/zinc/49/27/15/518492715.db2.gz ZAMFHDZFNGGRNH-DUXPYHPUSA-N 1 0 366.421 1.815 50 0 FDAARO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000009184195 518499623 /nfs/dbraw/zinc/49/96/23/518499623.db2.gz UKUWWHAOBPBYOY-CVEARBPZSA-N 1 0 359.426 1.887 50 0 FDAARO O=C(C1=NNC(=O)CC1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011818227 518574096 /nfs/dbraw/zinc/57/40/96/518574096.db2.gz VUUMSIWYFYYMFH-QGZVFWFLSA-N 1 0 369.469 1.408 50 0 FDAARO CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000011935947 518579041 /nfs/dbraw/zinc/57/90/41/518579041.db2.gz PKJWPSMVSWHUNJ-UHFFFAOYSA-N 1 0 356.474 1.619 50 0 FDAARO Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1 ZINC000012078799 518586025 /nfs/dbraw/zinc/58/60/25/518586025.db2.gz QFZBUYBJJHNCTC-SFHVURJKSA-N 1 0 371.485 1.796 50 0 FDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CCC(=O)NCCOC)CC1 ZINC000012075254 518586087 /nfs/dbraw/zinc/58/60/87/518586087.db2.gz LDUBWQTWCWTFNW-KRWDZBQOSA-N 1 0 353.507 1.642 50 0 FDAARO Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1 ZINC000012078797 518586129 /nfs/dbraw/zinc/58/61/29/518586129.db2.gz QFZBUYBJJHNCTC-GOSISDBHSA-N 1 0 371.485 1.796 50 0 FDAARO CSCCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000012244896 518600578 /nfs/dbraw/zinc/60/05/78/518600578.db2.gz FXWKXUDBYCVNEL-UHFFFAOYSA-N 1 0 365.528 1.844 50 0 FDAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(O)c2)N1)OCCCO4 ZINC000012549787 518619879 /nfs/dbraw/zinc/61/98/79/518619879.db2.gz SGXLUTCEWKVWSS-MRXNPFEDSA-N 1 0 351.366 2.000 50 0 FDAARO 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522186167 /nfs/dbraw/zinc/18/61/67/522186167.db2.gz SXASEEIRVDFKME-KZNAEPCWSA-N 1 0 369.465 1.349 50 0 FDAARO Cn1ncc2c1nc(-c1cccnc1)nc2N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072157572 522186296 /nfs/dbraw/zinc/18/62/96/522186296.db2.gz AYOPTAVXBAQHPA-HOTGVXAUSA-N 1 0 365.441 1.071 50 0 FDAARO O=C(CCCn1cncn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072171460 522199001 /nfs/dbraw/zinc/19/90/01/522199001.db2.gz YJROLFFBWXRIDX-IBGZPJMESA-N 1 0 353.470 1.760 50 0 FDAARO COCc1noc(CCNc2nc(-c3ccncc3)nc3c2C[NH2+]C3)n1 ZINC000072174541 522203593 /nfs/dbraw/zinc/20/35/93/522203593.db2.gz QYVBBFYIEQOVSD-UHFFFAOYSA-N 1 0 353.386 1.326 50 0 FDAARO Cc1nc(CN2CCN(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000072289180 522204746 /nfs/dbraw/zinc/20/47/46/522204746.db2.gz PUGOOCJOUPGVKA-AWEZNQCLSA-N 1 0 350.467 1.080 50 0 FDAARO CC(C)[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000072286025 522206131 /nfs/dbraw/zinc/20/61/31/522206131.db2.gz JCBBMFPSYJKOFU-LSDHHAIUSA-N 1 0 350.463 1.528 50 0 FDAARO C[NH+](C)CCNc1ncccc1CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000072306007 522210076 /nfs/dbraw/zinc/21/00/76/522210076.db2.gz YNBFPTSACXSNCT-UHFFFAOYSA-N 1 0 366.425 1.222 50 0 FDAARO COc1cc2[nH]c(=O)[nH]c2cc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072406776 522237556 /nfs/dbraw/zinc/23/75/56/522237556.db2.gz NWZYQHFTPBTUJW-UHFFFAOYSA-N 1 0 365.397 1.407 50 0 FDAARO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)cn1 ZINC000072408937 522240565 /nfs/dbraw/zinc/24/05/65/522240565.db2.gz SQQDRVCBJBGGHP-PKOBYXMFSA-N 1 0 353.470 1.871 50 0 FDAARO C[N@@H+]1CCc2nc(-c3ccco3)nc(NCCN3CCNC3=O)c2CC1 ZINC000072410506 522242722 /nfs/dbraw/zinc/24/27/22/522242722.db2.gz FLEXSNJCRWGTSD-UHFFFAOYSA-N 1 0 356.430 1.204 50 0 FDAARO CCn1nnc(-c2cccc(-n3ccnc3-c3cc4n(n3)CC[NH2+]C4)c2)n1 ZINC000072410659 522243195 /nfs/dbraw/zinc/24/31/95/522243195.db2.gz WNTNYJXSUDXAJZ-UHFFFAOYSA-N 1 0 361.413 1.512 50 0 FDAARO Cc1ccc(N2CC[C@H](CNC(=O)CCc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072422752 522253371 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CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025067 518741915 /nfs/dbraw/zinc/74/19/15/518741915.db2.gz RFJJEHFIBDNUEV-DKGOEBOQSA-N 1 0 361.829 1.880 50 0 FDAARO C[C@@H](C(=O)NC1CC1)N1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000022929554 518921914 /nfs/dbraw/zinc/92/19/14/518921914.db2.gz DIUZDHGSEVJQSG-AWEZNQCLSA-N 1 0 362.449 1.439 50 0 FDAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000022937692 518924056 /nfs/dbraw/zinc/92/40/56/518924056.db2.gz BTVBUMMXNXHGKX-LJQANCHMSA-N 1 0 372.513 1.498 50 0 FDAARO NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000025911146 519089802 /nfs/dbraw/zinc/08/98/02/519089802.db2.gz FDLHARAYBPXFEH-UHFFFAOYSA-N 1 0 352.438 1.936 50 0 FDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(F)c1 ZINC000027591008 519187507 /nfs/dbraw/zinc/18/75/07/519187507.db2.gz YPYYEXKJVZXYFH-QGZVFWFLSA-N 1 0 354.389 1.834 50 0 FDAARO CC(C)([NH3+])C(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 ZINC000082115106 519292478 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524708253 /nfs/dbraw/zinc/70/82/53/524708253.db2.gz ZLWNCXYFSJFAKB-SFHVURJKSA-N 1 0 351.466 1.998 50 0 FDAARO CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CCOC)C3=O)cc1 ZINC000091475198 524713491 /nfs/dbraw/zinc/71/34/91/524713491.db2.gz BBOGEVHGISGQGA-FQEVSTJZSA-N 1 0 359.470 1.507 50 0 FDAARO Cc1nc(C2CC2)ncc1C(=O)N1CC[C@@]2(O)CC[N@@H+](C(C)C)C[C@H]2C1 ZINC000091486381 524715103 /nfs/dbraw/zinc/71/51/03/524715103.db2.gz DTPWKIAEDGROLF-JXFKEZNVSA-N 1 0 358.486 1.970 50 0 FDAARO Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]([NH3+])C2CC2)CC3)cn1 ZINC000091518845 524718727 /nfs/dbraw/zinc/71/87/27/524718727.db2.gz TUANVGCESJNBFQ-SFHVURJKSA-N 1 0 371.485 1.254 50 0 FDAARO CCc1ncc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091575443 524728676 /nfs/dbraw/zinc/72/86/76/524728676.db2.gz DCOYVUGZYQHQBQ-NRFANRHFSA-N 1 0 371.529 1.948 50 0 FDAARO Cc1ccc2[nH]c(CCC(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)nc2c1C ZINC000091563489 524729137 /nfs/dbraw/zinc/72/91/37/524729137.db2.gz VCEQBHKNLVAMQD-HZPDHXFCSA-N 1 0 358.486 1.741 50 0 FDAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)CC1 ZINC000091587046 524734205 /nfs/dbraw/zinc/73/42/05/524734205.db2.gz YYCRAFCYJXAIPU-ZIAGYGMSSA-N 1 0 355.866 1.251 50 0 FDAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091680418 524760463 /nfs/dbraw/zinc/76/04/63/524760463.db2.gz PVPSPMYZUHYSDL-UHFFFAOYSA-N 1 0 355.442 1.327 50 0 FDAARO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)[C@H](O)C[C@@H]4OCC[NH3+])[nH]n2)o1 ZINC000091770071 524778509 /nfs/dbraw/zinc/77/85/09/524778509.db2.gz DDOWIKWIGPQVRF-SJORKVTESA-N 1 0 374.441 1.309 50 0 FDAARO COc1cccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000091769439 524780188 /nfs/dbraw/zinc/78/01/88/524780188.db2.gz RQHMPRJZVNDGBX-HXUWFJFHSA-N 1 0 361.486 1.832 50 0 FDAARO Cc1ccc([C@H]2CN(C(=O)c3ccc4c(c3)ncn4CCO)C[C@@H]2[NH3+])o1 ZINC000091845462 524797808 /nfs/dbraw/zinc/79/78/08/524797808.db2.gz RHAQFPZBHMWJFW-GJZGRUSLSA-N 1 0 354.410 1.497 50 0 FDAARO COc1ccc(-c2cc(C(=O)NCC3([NH+](C)C)CCOCC3)[nH]n2)cc1 ZINC000091846671 524798392 /nfs/dbraw/zinc/79/83/92/524798392.db2.gz GOJPKAAHMZUUHD-UHFFFAOYSA-N 1 0 358.442 1.926 50 0 FDAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c(O)c1 ZINC000091872644 524803011 /nfs/dbraw/zinc/80/30/11/524803011.db2.gz ZPDGHPXQTFOAJW-HZPDHXFCSA-N 1 0 362.470 1.957 50 0 FDAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1)Cc1ccncc1 ZINC000091914817 524811301 /nfs/dbraw/zinc/81/13/01/524811301.db2.gz DKZNULAWRNNRFR-WOJBJXKFSA-N 1 0 374.529 1.456 50 0 FDAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1C)CC2 ZINC000092061997 524836338 /nfs/dbraw/zinc/83/63/38/524836338.db2.gz LAHJJVOGPFSNAE-UHFFFAOYSA-N 1 0 356.474 1.933 50 0 FDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1 ZINC000092066443 524838146 /nfs/dbraw/zinc/83/81/46/524838146.db2.gz YYZNKVZDJSJTKX-ZDUSSCGKSA-N 1 0 353.426 1.943 50 0 FDAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cncn1)CC2 ZINC000092107760 524850120 /nfs/dbraw/zinc/85/01/20/524850120.db2.gz DWYGGGGTIIKIRS-OAHLLOKOSA-N 1 0 371.489 1.738 50 0 FDAARO Cc1ccc(CNC(=O)C2CC[NH+](CCC(=O)N3CCOCC3)CC2)cc1 ZINC000175319114 524942839 /nfs/dbraw/zinc/94/28/39/524942839.db2.gz AKMVRHQNSPZRJX-UHFFFAOYSA-N 1 0 373.497 1.572 50 0 FDAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091468740 524968300 /nfs/dbraw/zinc/96/83/00/524968300.db2.gz ARBBVWXIBIXAMM-QKPAOTATSA-N 1 0 352.500 1.467 50 0 FDAARO Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000095353925 525029467 /nfs/dbraw/zinc/02/94/67/525029467.db2.gz BVLRBUYOFKSRDJ-KRWDZBQOSA-N 1 0 369.469 1.207 50 0 FDAARO CC(=O)c1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000095355508 525030211 /nfs/dbraw/zinc/03/02/11/525030211.db2.gz UBPGZSAWSXICGJ-QZTJIDSGSA-N 1 0 374.481 1.274 50 0 FDAARO C[C@H](C(=O)N1CCC(O)(Cn2ccnc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000095358923 525033882 /nfs/dbraw/zinc/03/38/82/525033882.db2.gz TXQHAXKGZMAPJJ-QGZVFWFLSA-N 1 0 368.481 1.683 50 0 FDAARO COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@@H](C(N)=O)O2)cc1OC ZINC000095414164 525066957 /nfs/dbraw/zinc/06/69/57/525066957.db2.gz WRVBYVLLUBDEOY-PWSUYJOCSA-N 1 0 373.247 1.589 50 0 FDAARO COc1ccc2c(ccn(CC(=O)N(C)C3CC[NH2+]CC3)c2=O)c1OC ZINC000095510494 525093271 /nfs/dbraw/zinc/09/32/71/525093271.db2.gz FORQJICICBPOHI-UHFFFAOYSA-N 1 0 359.426 1.229 50 0 FDAARO Cc1ncc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cn1 ZINC000095511070 525093937 /nfs/dbraw/zinc/09/39/37/525093937.db2.gz VBKYBNAGVKWPIS-MRXNPFEDSA-N 1 0 356.474 1.953 50 0 FDAARO Cc1ccccc1[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N(C)C ZINC000095528614 525105107 /nfs/dbraw/zinc/10/51/07/525105107.db2.gz ZMSWLSKZYGFQRN-HXUWFJFHSA-N 1 0 358.530 1.838 50 0 FDAARO CN(CC(=O)NC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC(C)(C)C ZINC000095995920 525114592 /nfs/dbraw/zinc/11/45/92/525114592.db2.gz JEDCOIQHQUYVFY-IYBDPMFKSA-N 1 0 368.566 1.991 50 0 FDAARO COc1ccc2[nH]cc(C[NH+]3CCN(c4cnn5cnnc5c4)CC3)c2c1 ZINC000097077579 525170201 /nfs/dbraw/zinc/17/02/01/525170201.db2.gz IACXWRFGWBEQCR-UHFFFAOYSA-N 1 0 363.425 1.936 50 0 FDAARO CS(=O)(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000244874864 525282048 /nfs/dbraw/zinc/28/20/48/525282048.db2.gz XINILKNPLPPIOQ-AVGNSLFASA-N 1 0 354.476 1.063 50 0 FDAARO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613358 525643622 /nfs/dbraw/zinc/64/36/22/525643622.db2.gz QSHDOFBECMHGOI-KDOFPFPSSA-N 1 0 354.454 1.846 50 0 FDAARO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091603517 525719596 /nfs/dbraw/zinc/71/95/96/525719596.db2.gz CCAUTGSDWRBFKH-CQSZACIVSA-N 1 0 371.441 1.012 50 0 FDAARO CN1CCC[N@H+](CCC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000107697092 525910825 /nfs/dbraw/zinc/91/08/25/525910825.db2.gz OKSPZKITIFYIIA-FQEVSTJZSA-N 1 0 359.514 1.598 50 0 FDAARO O=C(CCCc1nc(-c2ccncc2)no1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082166896 526464560 /nfs/dbraw/zinc/46/45/60/526464560.db2.gz VEXXAWRKSGSWHA-UHFFFAOYSA-N 1 0 367.413 1.070 50 0 FDAARO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091548142 526687892 /nfs/dbraw/zinc/68/78/92/526687892.db2.gz NXOXNVCRWJWVBU-DOTOQJQBSA-N 1 0 358.421 1.325 50 0 FDAARO O=C(C[NH+]1CCCC1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091679136 526731523 /nfs/dbraw/zinc/73/15/23/526731523.db2.gz SKUOGYQEIYRJBT-FQEVSTJZSA-N 1 0 373.501 1.279 50 0 FDAARO O=C(CN1CCOC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091636357 526786750 /nfs/dbraw/zinc/78/67/50/526786750.db2.gz YMTSRGAAHMFZBD-DOTOQJQBSA-N 1 0 361.417 1.701 50 0 FDAARO O=C(c1nc2ccccn2c1C[NH2+]CCN1CCCCC1)N1CCOCC1 ZINC000020206408 526918054 /nfs/dbraw/zinc/91/80/54/526918054.db2.gz VPMDDDLPZPHEET-UHFFFAOYSA-N 1 0 371.485 1.382 50 0 FDAARO O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000178361811 526928994 /nfs/dbraw/zinc/92/89/94/526928994.db2.gz ABCIOWOFIHPBDY-UHFFFAOYSA-N 1 0 357.311 1.861 50 0 FDAARO O=C(COc1cccc(F)c1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091664175 526977229 /nfs/dbraw/zinc/97/72/29/526977229.db2.gz GAHAEUDOXIKVHT-HZPDHXFCSA-N 1 0 350.434 1.757 50 0 FDAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc(C4CCC4)n3)nn2)CC1 ZINC000244742096 527413593 /nfs/dbraw/zinc/41/35/93/527413593.db2.gz OBXVSSNXCIPTRF-BETUJISGSA-N 1 0 359.434 1.344 50 0 FDAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc(C4CCCC4)n3)nn2)CC1 ZINC000244608569 527413760 /nfs/dbraw/zinc/41/37/60/527413760.db2.gz FEUPKRFQRKEVTR-OKILXGFUSA-N 1 0 373.461 1.734 50 0 FDAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(C)n(CC)c3=O)cc2C1 ZINC000299779579 528488203 /nfs/dbraw/zinc/48/82/03/528488203.db2.gz USIWTVDXXSBDLS-UHFFFAOYSA-N 1 0 371.485 1.919 50 0 FDAARO CCOC(=O)C[C@@H](Sc1ncnc2c1C[N@H+](C)CC2)C(=O)OCC ZINC000280349303 528877552 /nfs/dbraw/zinc/87/75/52/528877552.db2.gz WMWUZWKFMCCFPY-CYBMUJFWSA-N 1 0 353.444 1.442 50 0 FDAARO CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000185331616 536205609 /nfs/dbraw/zinc/20/56/09/536205609.db2.gz YPJMLFBZDVHORC-LJQANCHMSA-N 1 0 373.497 1.748 50 0 FDAARO COCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071757023 536725096 /nfs/dbraw/zinc/72/50/96/536725096.db2.gz ATOZTQMMCNSSCP-OAHLLOKOSA-N 1 0 373.501 1.582 50 0 FDAARO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(Cl)c1OCC(N)=O ZINC000194538381 537292949 /nfs/dbraw/zinc/29/29/49/537292949.db2.gz NYBWBKDHKCAJTD-BETUJISGSA-N 1 0 353.850 1.206 50 0 FDAARO Cc1cnc2c(Cl)c(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)nn2c1 ZINC000216520679 537450589 /nfs/dbraw/zinc/45/05/89/537450589.db2.gz JEVRPTNCIFYHOA-LBPRGKRZSA-N 1 0 351.838 1.268 50 0 FDAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2 ZINC000218861485 537467892 /nfs/dbraw/zinc/46/78/92/537467892.db2.gz DYSAVTNAUIHLEY-GOSISDBHSA-N 1 0 354.458 1.760 50 0 FDAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)/C=C/c1ccccc1 ZINC000219095254 537470514 /nfs/dbraw/zinc/47/05/14/537470514.db2.gz HEOPMDUSWHNYMI-WZFZXHKMSA-N 1 0 354.472 1.312 50 0 FDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000219281757 537473321 /nfs/dbraw/zinc/47/33/21/537473321.db2.gz XILRRTJOXQLYDF-JZDMUPLMSA-N 1 0 356.426 1.102 50 0 FDAARO CS(=O)(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000219314926 537474959 /nfs/dbraw/zinc/47/49/59/537474959.db2.gz YMPAAMYEGMDXJY-MRXNPFEDSA-N 1 0 365.499 1.016 50 0 FDAARO Cc1nc2cc(CNC(=O)CC[C@H](C)[NH+]3CCN(C)CC3)ccc2n1C ZINC000219977380 537484309 /nfs/dbraw/zinc/48/43/09/537484309.db2.gz WXDFAVXGFWBGJI-HNNXBMFYSA-N 1 0 357.502 1.914 50 0 FDAARO Cc1ccnc(SCC(=O)NC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000220203752 537485651 /nfs/dbraw/zinc/48/56/51/537485651.db2.gz QZGWKBFXBBQRIJ-UHFFFAOYSA-N 1 0 350.488 1.637 50 0 FDAARO COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)c(F)c1F ZINC000220375915 537488670 /nfs/dbraw/zinc/48/86/70/537488670.db2.gz NDNISSMLLAGAGN-OLZOCXBDSA-N 1 0 358.385 1.439 50 0 FDAARO CC[NH+]1CCN(CCNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000222034305 537501707 /nfs/dbraw/zinc/50/17/07/537501707.db2.gz FXSGUEFGLCEDJB-AUWJEWJLSA-N 1 0 357.907 1.868 50 0 FDAARO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C3)cn1 ZINC000222267589 537503931 /nfs/dbraw/zinc/50/39/31/537503931.db2.gz NDNNWBHWKBKYGJ-CQSZACIVSA-N 1 0 355.442 1.707 50 0 FDAARO CCn1c(C)cc(C(=O)N2CCn3nc([C@@H](O)C[NH+](C)C)cc3C2)c1C ZINC000223668993 537531965 /nfs/dbraw/zinc/53/19/65/537531965.db2.gz XRRTYPFUGJWYGO-SFHVURJKSA-N 1 0 359.474 1.572 50 0 FDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000230101835 537577867 /nfs/dbraw/zinc/57/78/67/537577867.db2.gz YBMRNPZQBDXJTJ-KBPBESRZSA-N 1 0 355.442 1.516 50 0 FDAARO CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc21 ZINC000236574786 537590817 /nfs/dbraw/zinc/59/08/17/537590817.db2.gz ILQDKYUTTXROHG-ZBFHGGJFSA-N 1 0 351.472 1.391 50 0 FDAARO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000236688513 537595030 /nfs/dbraw/zinc/59/50/30/537595030.db2.gz ZYZOBDJKAJEPTG-KGLIPLIRSA-N 1 0 354.248 1.576 50 0 FDAARO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000237199445 537617753 /nfs/dbraw/zinc/61/77/53/537617753.db2.gz VLWXYIGCWLFDOC-SSDOTTSWSA-N 1 0 369.668 1.833 50 0 FDAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC ZINC000237280288 537620831 /nfs/dbraw/zinc/62/08/31/537620831.db2.gz RZHCOYNFCZEXQO-CYBMUJFWSA-N 1 0 362.879 1.738 50 0 FDAARO COc1ccc(-n2ncc(C(=O)N3CCC[NH2+]CC3)c2C(F)(F)F)nn1 ZINC000237524358 537632249 /nfs/dbraw/zinc/63/22/49/537632249.db2.gz DIPKRMFHNXOSKF-UHFFFAOYSA-N 1 0 370.335 1.125 50 0 FDAARO CSc1nc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000244605521 537647681 /nfs/dbraw/zinc/64/76/81/537647681.db2.gz FABGAOYQYYWISB-CQSZACIVSA-N 1 0 352.529 1.717 50 0 FDAARO Cc1nn(C)cc1NC(=O)CN1CCc2nnc(-c3ccccc3)n2CC1 ZINC000244723749 537651335 /nfs/dbraw/zinc/65/13/35/537651335.db2.gz MGRWOPXJZNBWLA-UHFFFAOYSA-N 1 0 365.441 1.484 50 0 FDAARO CC[C@@H](Sc1nnc(CC[NH3+])n1-c1ccccc1F)C(=O)N(C)C ZINC000426734262 538125160 /nfs/dbraw/zinc/12/51/60/538125160.db2.gz INVHELMVUJMNEF-CYBMUJFWSA-N 1 0 351.451 1.867 50 0 FDAARO COCc1cc(CNC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)[nH]n1 ZINC000426563490 538424652 /nfs/dbraw/zinc/42/46/52/538424652.db2.gz XBXZLQOXESTTGU-UHFFFAOYSA-N 1 0 358.446 1.681 50 0 FDAARO C[N@@H+]1CCOC[C@@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)C1 ZINC000584889341 551565569 /nfs/dbraw/zinc/56/55/69/551565569.db2.gz JXXKANLPZXIYDT-ZDUSSCGKSA-N 1 0 353.850 1.822 50 0 FDAARO C[S@](=O)C1(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CC[NH2+]CC1 ZINC000602520050 553597436 /nfs/dbraw/zinc/59/74/36/553597436.db2.gz GNVOJBIYHRVIQF-BZQUYTCOSA-N 1 0 361.467 1.575 50 0 FDAARO O=C(CCc1ccc(O)cc1)OCc1c(CO)n(O)c2ccccc2[n+]1=O ZINC000526055745 570804714 /nfs/dbraw/zinc/80/47/14/570804714.db2.gz JLIFBAFNHIKSLR-UHFFFAOYSA-O 1 0 371.369 1.667 50 0 FDAARO Cc1csc2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)cc(=O)n12 ZINC000048309599 570943368 /nfs/dbraw/zinc/94/33/68/570943368.db2.gz OVXGWYDYZKGTQP-CQSZACIVSA-N 1 0 360.483 1.803 50 0 FDAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000245342963 571097710 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CCOC(=O)N1CCC([NH2+]Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000058180125 221103916 /nfs/dbraw/zinc/10/39/16/221103916.db2.gz UQPBYQBITKCLHB-UHFFFAOYSA-N 1 0 363.458 1.864 50 0 FDAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)[NH+](C)C)cc1 ZINC000060155803 221128670 /nfs/dbraw/zinc/12/86/70/221128670.db2.gz RATWCJHPLNYCPR-IBGZPJMESA-N 1 0 364.453 1.932 50 0 FDAARO Cn1nc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2c1=O ZINC000060392273 221131523 /nfs/dbraw/zinc/13/15/23/221131523.db2.gz WSRZESRIOAKHDP-KRWDZBQOSA-N 1 0 350.422 1.966 50 0 FDAARO CN(C[C@@H](NC(=O)c1cnn(C)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058297344 221113758 /nfs/dbraw/zinc/11/37/58/221113758.db2.gz ZUUOENHKXIRQBE-LJQANCHMSA-N 1 0 355.486 1.917 50 0 FDAARO COCCCNC(=O)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@@]12c1ccccc1N(C)C2=O ZINC000062001429 221138286 /nfs/dbraw/zinc/13/82/86/221138286.db2.gz KPLAUZLMIXKUTG-UVFQYZLESA-N 1 0 357.454 1.495 50 0 biogenic FDAARO CC(C)Cn1c(=O)c(C(=O)NCCC[NH+]2CCCC2)nc2cccnc21 ZINC000065282910 221193294 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Cc1cc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)nc(N)[nH+]1 ZINC000065404102 221213612 /nfs/dbraw/zinc/21/36/12/221213612.db2.gz JTAXUZBCKIWIBI-UHFFFAOYSA-N 1 0 357.462 1.262 50 0 FDAARO Cc1ncc(CO)c(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1O ZINC000065428914 221218642 /nfs/dbraw/zinc/21/86/42/221218642.db2.gz OKEZYBIEEWQTLR-DOTOQJQBSA-N 1 0 372.421 1.667 50 0 FDAARO Cc1nnc(SCC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)s1 ZINC000067654657 221265912 /nfs/dbraw/zinc/26/59/12/221265912.db2.gz PRZHFQAZXYBOIZ-UHFFFAOYSA-N 1 0 369.560 1.567 50 0 FDAARO C[N@H+](Cc1ccncn1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067458628 221256427 /nfs/dbraw/zinc/25/64/27/221256427.db2.gz BYOPOYAKIGCWBX-NRFANRHFSA-N 1 0 368.481 1.895 50 0 FDAARO COCC[N@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067654420 221267078 /nfs/dbraw/zinc/26/70/78/221267078.db2.gz UFCSWXRZOKDPJN-GOSISDBHSA-N 1 0 354.422 1.266 50 0 FDAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCc3cnccn3)C2=O)c1 ZINC000067643159 221264792 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