smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CCC(n2ccnc2-c2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072439271 835997346 /nfs/dbraw/zinc/99/73/46/835997346.db2.gz WPQXWBHFXQVZOY-UHFFFAOYSA-N 1 0 350.448 0.446 50 0 FCAARO NC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000585084686 836089386 /nfs/dbraw/zinc/08/93/86/836089386.db2.gz TVEHDPXZDBHAQJ-AWEZNQCLSA-N 1 0 367.471 0.405 50 0 FCAARO CNS(=O)(=O)c1cc(/C=C\C(=O)N2CCC[NH2+]CC2)ccc1OC ZINC000606441593 836091715 /nfs/dbraw/zinc/09/17/15/836091715.db2.gz PRRBAGGRZWSXAU-ALCCZGGFSA-N 1 0 353.444 0.438 50 0 FCAARO Cc1nn(C)c(C)c1S(=O)(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618256242 836092470 /nfs/dbraw/zinc/09/24/70/836092470.db2.gz PRDMWVGBJVJOQC-HNNXBMFYSA-N 1 0 356.492 0.816 50 0 FCAARO COCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 ZINC000824413192 836522729 /nfs/dbraw/zinc/52/27/29/836522729.db2.gz UHZUWWYPNXZRTM-INIZCTEOSA-N 1 0 363.524 0.538 50 0 FCAARO Cc1ccc(NS(C)(=O)=O)cc1NC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000299800125 223103926 /nfs/dbraw/zinc/10/39/26/223103926.db2.gz VEKFIVKGQKFGCT-HNNXBMFYSA-N 1 0 356.448 0.603 50 0 FCAARO CN(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000299795825 203776992 /nfs/dbraw/zinc/77/69/92/203776992.db2.gz MVCRWMHRUUBZGR-UHFFFAOYSA-N 1 0 363.867 0.689 50 0 FCAARO C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CCOCC1 ZINC000004959241 204181262 /nfs/dbraw/zinc/18/12/62/204181262.db2.gz LMKTWSPAIZFSIE-DZGCQCFKSA-N 1 0 368.503 0.304 50 0 FCAARO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCC[NH+](C)C)C(=O)N2C(C)C ZINC000009418462 204366759 /nfs/dbraw/zinc/36/67/59/204366759.db2.gz IHBRMIXNLRCGMB-MRXNPFEDSA-N 1 0 360.458 0.975 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010339413 204394605 /nfs/dbraw/zinc/39/46/05/204394605.db2.gz BPYFEKKVNLPAGF-HUUCEWRRSA-N 1 0 361.398 0.734 50 0 FCAARO CC(C)[NH+](CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(C)C ZINC000028839103 204890370 /nfs/dbraw/zinc/89/03/70/204890370.db2.gz VEXLRQYCHCYZBY-GJZGRUSLSA-N 1 0 373.519 0.257 50 0 FCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 ZINC000040267704 205064798 /nfs/dbraw/zinc/06/47/98/205064798.db2.gz WRVQZLLFDABGTD-LBPRGKRZSA-N 1 0 373.413 0.962 50 0 FCAARO COCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000045944464 205127474 /nfs/dbraw/zinc/12/74/74/205127474.db2.gz RJNJVMZOFBCYLU-UHFFFAOYSA-N 1 0 369.487 0.454 50 0 FCAARO O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299752046 205133570 /nfs/dbraw/zinc/13/35/70/205133570.db2.gz SNELLBPHURRSPY-HRCADAONSA-N 1 0 353.850 0.552 50 0 FCAARO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000056184317 205228726 /nfs/dbraw/zinc/22/87/26/205228726.db2.gz VJIPUDFJGHNJSN-NEPJUHHUSA-N 1 0 362.430 0.839 50 0 FCAARO Cc1ccc([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)[NH+](C)C)cc1 ZINC000058217965 205263859 /nfs/dbraw/zinc/26/38/59/205263859.db2.gz YEXLBCALWYTZKZ-MRXNPFEDSA-N 1 0 368.441 0.858 50 0 FCAARO Cn1c2c(C(=O)NCc3ccc(F)cc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966161 205311991 /nfs/dbraw/zinc/31/19/91/205311991.db2.gz NAMYSDGTGXBJFF-UHFFFAOYSA-N 1 0 355.373 0.748 50 0 FCAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1Cc1c(C)nn(C)c1N1CCOCC1 ZINC000065432800 205350286 /nfs/dbraw/zinc/35/02/86/205350286.db2.gz JTNVOGUTPISRQB-ZBFHGGJFSA-N 1 0 365.478 0.243 50 0 FCAARO Cc1cccn2c(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CN(C(=O)C3CC3)C4)cnc12 ZINC000065460901 205351171 /nfs/dbraw/zinc/35/11/71/205351171.db2.gz QLPIMNHDXZNABT-FOIQADDNSA-N 1 0 367.453 0.717 50 0 FCAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065461142 205352229 /nfs/dbraw/zinc/35/22/29/205352229.db2.gz UVEKQZQOPDZINJ-GFCCVEGCSA-N 1 0 367.413 0.444 50 0 FCAARO C[N@@H+]1CCCN(CC(=O)NCCN2N=C(c3ccccc3)CCC2=O)CC1 ZINC000065369791 205339585 /nfs/dbraw/zinc/33/95/85/205339585.db2.gz YBJATJFHLJTSNY-UHFFFAOYSA-N 1 0 371.485 0.767 50 0 FCAARO CCOC(=O)N1CCC([NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000065395561 205345407 /nfs/dbraw/zinc/34/54/07/205345407.db2.gz HZWHENBMNGDBQL-UHFFFAOYSA-N 1 0 361.446 0.923 50 0 FCAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 ZINC000065409979 205348854 /nfs/dbraw/zinc/34/88/54/205348854.db2.gz NQWMFGDWFMUAON-OLZOCXBDSA-N 1 0 352.412 0.479 50 0 FCAARO CC(=O)NCC[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067491024 205373210 /nfs/dbraw/zinc/37/32/10/205373210.db2.gz BBCOLEKCOPCFKM-QGZVFWFLSA-N 1 0 355.385 0.544 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC000067473118 205373514 /nfs/dbraw/zinc/37/35/14/205373514.db2.gz XGUCMSPIYRJPAF-KBPBESRZSA-N 1 0 369.487 0.847 50 0 FCAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2nc(-c3cccnc3)no2)C1=O ZINC000067820692 205393690 /nfs/dbraw/zinc/39/36/90/205393690.db2.gz LICYSKQQQVVSQP-KRWDZBQOSA-N 1 0 356.386 0.942 50 0 FCAARO CNC(=O)C[N@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067563096 205374880 /nfs/dbraw/zinc/37/48/80/205374880.db2.gz XYIASCKSBQYRMT-SFHVURJKSA-N 1 0 367.421 0.366 50 0 FCAARO CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067587365 205375891 /nfs/dbraw/zinc/37/58/91/205375891.db2.gz SSBDNZHBCBGETG-UHFFFAOYSA-N 1 0 351.451 0.092 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC000067604888 205376530 /nfs/dbraw/zinc/37/65/30/205376530.db2.gz ZGTYXGVKJVZRMS-DOMZBBRYSA-N 1 0 363.443 0.099 50 0 FCAARO Cc1csc(NC(=O)C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067674851 205381810 /nfs/dbraw/zinc/38/18/10/205381810.db2.gz FEIAFBZPEDOLSM-UHFFFAOYSA-N 1 0 351.476 0.628 50 0 FCAARO CN1CCN(C(=O)CCn2c3ccccc3[nH]c2=O)CC12CC[NH+](C)CC2 ZINC000067675823 205382266 /nfs/dbraw/zinc/38/22/66/205382266.db2.gz XDXBYOAVYUOQRT-UHFFFAOYSA-N 1 0 371.485 0.958 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000067690776 205383257 /nfs/dbraw/zinc/38/32/57/205383257.db2.gz PEEPDBJNHICNAR-ABAIWWIYSA-N 1 0 357.414 0.763 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C)c2c(=O)[nH]nc-2[nH]1 ZINC000067724985 205386899 /nfs/dbraw/zinc/38/68/99/205386899.db2.gz CLWBTFUUGFBFOV-PWSUYJOCSA-N 1 0 360.418 0.382 50 0 FCAARO Cc1nccn1CC1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000067739824 205386932 /nfs/dbraw/zinc/38/69/32/205386932.db2.gz JXLLVYNLPOXYAN-HNNXBMFYSA-N 1 0 357.462 0.993 50 0 FCAARO Cc1cc(N2CCC([C@]3(c4ccccn4)NC(=O)NC3=O)CC2)nc(N)[nH+]1 ZINC000067726841 205387540 /nfs/dbraw/zinc/38/75/40/205387540.db2.gz FDZCFCWUSOEKJP-GOSISDBHSA-N 1 0 367.413 0.714 50 0 FCAARO [NH3+][C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)C1 ZINC000067756108 205388655 /nfs/dbraw/zinc/38/86/55/205388655.db2.gz JLCFSKBKIBIJHD-HZPDHXFCSA-N 1 0 351.472 0.527 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCN1c2ccccc2OCC1=O ZINC000067756845 205389167 /nfs/dbraw/zinc/38/91/67/205389167.db2.gz HVAIDQGXACGHPR-ZFWWWQNUSA-N 1 0 374.441 0.255 50 0 FCAARO O=C1N[C@@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1Cc1ncccn1 ZINC000067866830 205397366 /nfs/dbraw/zinc/39/73/66/205397366.db2.gz DRMNCIWHSTUMAW-GOSISDBHSA-N 1 0 352.398 0.819 50 0 FCAARO [NH3+][C@H]1CN[C@H](C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)C1 ZINC000067871450 205399002 /nfs/dbraw/zinc/39/90/02/205399002.db2.gz ZIIMOVZBQCOOCR-WBVHZDCISA-N 1 0 350.438 0.428 50 0 FCAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]cn3)CC2)C1)N1CCOCC1 ZINC000067872734 205399699 /nfs/dbraw/zinc/39/96/99/205399699.db2.gz DIWLXURHVXLFKM-INIZCTEOSA-N 1 0 361.490 0.945 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1c2nsnc2ccc1C ZINC000067947048 205405172 /nfs/dbraw/zinc/40/51/72/205405172.db2.gz ITMLYAKVDFZBNW-KOLCDFICSA-N 1 0 369.472 0.226 50 0 FCAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1cn3c(n1)CNCC3)C2 ZINC000072137034 205475720 /nfs/dbraw/zinc/47/57/20/205475720.db2.gz VHIKIEWDUHBKPJ-KDOFPFPSSA-N 1 0 361.446 0.134 50 0 FCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000072165767 205495255 /nfs/dbraw/zinc/49/52/55/205495255.db2.gz RNSMTKOESIXZKX-SECBINFHSA-N 1 0 365.381 0.584 50 0 FCAARO Cc1nn(CC(=O)NCC[NH+]2CCCC2)c(=O)n1-c1ccc2c(c1)OCO2 ZINC000077287185 205586023 /nfs/dbraw/zinc/58/60/23/205586023.db2.gz JZKYLYYXXWFWSM-UHFFFAOYSA-N 1 0 373.413 0.283 50 0 FCAARO COc1ccccc1OCC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077451992 205600411 /nfs/dbraw/zinc/60/04/11/205600411.db2.gz ZORUFEZFZJXXJB-IBGZPJMESA-N 1 0 364.442 0.760 50 0 FCAARO COCCN1CC[C@]2(CN(Cc3nc(C)no3)CC[N@@H+]2C)CCC1=O ZINC000091690586 205688528 /nfs/dbraw/zinc/68/85/28/205688528.db2.gz YYCSQVHQFSVPQZ-KRWDZBQOSA-N 1 0 351.451 0.523 50 0 FCAARO C[N@@H+]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCNC(=O)CC2 ZINC000107656876 206021499 /nfs/dbraw/zinc/02/14/99/206021499.db2.gz PAAMBNYGPYSFAT-HXUWFJFHSA-N 1 0 356.470 0.862 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000237682191 206106596 /nfs/dbraw/zinc/10/65/96/206106596.db2.gz WTNPPAQLIHFERQ-ZDUSSCGKSA-N 1 0 365.459 0.672 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000237682161 206108089 /nfs/dbraw/zinc/10/80/89/206108089.db2.gz WTNPPAQLIHFERQ-CYBMUJFWSA-N 1 0 365.459 0.672 50 0 FCAARO Cc1ccc(Cn2c(=O)c3c(nc(N4CC[NH2+]CC4)n3C)n(C)c2=O)cc1 ZINC000004370915 206175419 /nfs/dbraw/zinc/17/54/19/206175419.db2.gz JVEMYHJZZLYVTA-UHFFFAOYSA-N 1 0 368.441 0.200 50 0 FCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccccc21 ZINC000105352317 206233099 /nfs/dbraw/zinc/23/30/99/206233099.db2.gz DOMSBGXMTOVLON-AJNNRKIQSA-N 1 0 357.410 0.588 50 0 FCAARO CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193984023 206330283 /nfs/dbraw/zinc/33/02/83/206330283.db2.gz NAGJURQUCYRHER-INIZCTEOSA-N 1 0 366.487 0.586 50 0 FCAARO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020727219 206343079 /nfs/dbraw/zinc/34/30/79/206343079.db2.gz MPVFHWOFEJGSNZ-UHFFFAOYSA-N 1 0 362.293 0.975 50 0 FCAARO CSCCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000214998593 206343521 /nfs/dbraw/zinc/34/35/21/206343521.db2.gz BVPPFAMKUCRVNZ-CYBMUJFWSA-N 1 0 357.501 0.810 50 0 FCAARO O=C(c1cccc(-n2cnnc2)n1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000215044298 206344171 /nfs/dbraw/zinc/34/41/71/206344171.db2.gz YYSIRHYEMNQIOV-QGZVFWFLSA-N 1 0 367.457 0.514 50 0 FCAARO C[NH+]1CCC(OCCCNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000215410344 206346008 /nfs/dbraw/zinc/34/60/08/206346008.db2.gz CENOYGGNJBCWEW-UHFFFAOYSA-N 1 0 355.460 0.565 50 0 FCAARO CN(C)C1=NC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C(=O)N1 ZINC000215675798 206349056 /nfs/dbraw/zinc/34/90/56/206349056.db2.gz SGJRZFKQDFMOCF-UHFFFAOYSA-N 1 0 354.418 0.249 50 0 FCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccnn13)C2 ZINC000218983477 206376372 /nfs/dbraw/zinc/37/63/72/206376372.db2.gz RTYFGKXNQCRNHU-HNNXBMFYSA-N 1 0 355.402 0.177 50 0 FCAARO COc1ccc(C(=O)N2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000220347688 206399205 /nfs/dbraw/zinc/39/92/05/206399205.db2.gz ZRLRCVPHURYLAM-INIZCTEOSA-N 1 0 359.430 0.928 50 0 FCAARO CCc1ncc(C(=O)N2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000223101506 206432524 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488379954 /nfs/dbraw/zinc/37/99/54/488379954.db2.gz JSGDAKWFHZQCDB-UHFFFAOYSA-N 1 0 358.427 0.628 50 0 FCAARO COc1cccc(OC[C@@H](O)CNc2nc(N)nc3c2CC[NH2+]CC3)c1 ZINC000072407484 488380019 /nfs/dbraw/zinc/38/00/19/488380019.db2.gz CYDFDJGMKFYSKV-LBPRGKRZSA-N 1 0 359.430 0.607 50 0 FCAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCCO[C@H](Cn2cccn2)C1 ZINC000072418470 488380141 /nfs/dbraw/zinc/38/01/41/488380141.db2.gz ISDOTCVRUMTLPW-SFHVURJKSA-N 1 0 372.473 0.823 50 0 FCAARO COc1cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418193 488380144 /nfs/dbraw/zinc/38/01/44/488380144.db2.gz QCDHZGZFMQLFAI-GOSISDBHSA-N 1 0 351.447 0.448 50 0 FCAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)Cn3cnc4ccccc43)CC[C@H]21 ZINC000072411408 488380208 /nfs/dbraw/zinc/38/02/08/488380208.db2.gz YRIWJJAUCKXYGF-GOEBONIOSA-N 1 0 355.442 0.835 50 0 FCAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000072411781 488380255 /nfs/dbraw/zinc/38/02/55/488380255.db2.gz UOZHRSKBAGBCAQ-AWEZNQCLSA-N 1 0 350.511 0.689 50 0 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CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225669142 536390805 /nfs/dbraw/zinc/39/08/05/536390805.db2.gz DUUZBABBMXZZTF-IRXDYDNUSA-N 1 0 360.458 0.966 50 0 FCAARO C[NH+]1CCN(c2nc3nc(=O)n(-c4ccc(F)cc4)c(=O)c-3c[nH]2)CC1 ZINC000067264275 536427317 /nfs/dbraw/zinc/42/73/17/536427317.db2.gz LDMFUFOTESNYRS-UHFFFAOYSA-N 1 0 356.361 0.772 50 0 FCAARO C[NH+]1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)(c2ccccc2)CC1 ZINC000222692820 568554513 /nfs/dbraw/zinc/55/45/13/568554513.db2.gz QPKANHJVTYNBPB-HNNXBMFYSA-N 1 0 358.442 0.754 50 0 FCAARO CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CC(n4cccn4)C3)ncn2)C1 ZINC000685942796 571103301 /nfs/dbraw/zinc/10/33/01/571103301.db2.gz QMITVRKBCPBFDQ-HOCLYGCPSA-N 1 0 357.462 0.890 50 0 FCAARO CC(C)[N@@H+]1CCCN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000952987300 674482208 /nfs/dbraw/zinc/48/22/08/674482208.db2.gz JYLWCBGRUYKDDN-QGZVFWFLSA-N 1 0 371.547 0.828 50 0 FCAARO CN1CC(=O)N(CC(=O)NC2CC[NH+](C3CCSCC3)CC2)C1=O ZINC000952975545 674481983 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0.114 50 0 FCAARO COC(=O)[C@@H](CCSC)NC(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012022417 667607634 /nfs/dbraw/zinc/60/76/34/667607634.db2.gz HDSMGUQAERVHOD-CYBMUJFWSA-N 1 0 369.491 0.789 50 0 FCAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000091651546 1170085058 /nfs/dbraw/zinc/08/50/58/1170085058.db2.gz OXVYNYQLYMOWGK-UHFFFAOYSA-N 1 0 371.489 0.910 50 0 FCAARO Cc1cc(C(=O)N2C[C@H]3C[N@H+](Cc4c(C)noc4C)C[C@@]3(CO)C2)nn1C ZINC001772702027 1181654749 /nfs/dbraw/zinc/65/47/49/1181654749.db2.gz OLHAQEYLZWLWMA-BEFAXECRSA-N 1 0 373.457 0.900 50 0 FCAARO CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(=O)[nH]1)C2 ZINC001772701429 1181657908 /nfs/dbraw/zinc/65/79/08/1181657908.db2.gz MGDTZKSVOIPOTL-GJZGRUSLSA-N 1 0 371.441 0.977 50 0 FCAARO COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001772703450 1181674010 /nfs/dbraw/zinc/67/40/10/1181674010.db2.gz LLBXWLXRSVORHU-HNNXBMFYSA-N 1 0 368.478 0.524 50 0 FCAARO O=C(Cn1cccn1)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001772704514 1181674825 /nfs/dbraw/zinc/67/48/25/1181674825.db2.gz RQWAAIUNFIBAGB-OAHLLOKOSA-N 1 0 354.476 0.242 50 0 FCAARO O=S(=O)(c1cccnc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772709113 1181696055 /nfs/dbraw/zinc/69/60/55/1181696055.db2.gz HYRGHRKEVKHEDW-BXKDBHETSA-N 1 0 351.350 0.303 50 0 FCAARO CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1cnccn1)CC2 ZINC000257186057 1182941688 /nfs/dbraw/zinc/94/16/88/1182941688.db2.gz KBBJAPQABNLMRX-HIFRSBDPSA-N 1 0 371.445 0.283 50 0 FCAARO Cn1cc([C@H]2[C@H](CNC(=O)NC[C@H]3CC[N@@H+]3C3CC3)OCCN2C)cn1 ZINC000888101868 1186461472 /nfs/dbraw/zinc/46/14/72/1186461472.db2.gz PVNISYWQBWHYLI-IKGGRYGDSA-N 1 0 362.478 0.328 50 0 FCAARO Cn1nccc1C(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802959 1198962984 /nfs/dbraw/zinc/96/29/84/1198962984.db2.gz RVFCYLQSRJTPQX-MRXNPFEDSA-N 1 0 361.490 0.679 50 0 FCAARO CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)[C@@H]1CC[NH2+]C1 ZINC000585086650 1203181224 /nfs/dbraw/zinc/18/12/24/1203181224.db2.gz ABJMHMNONBQIIA-YPMHNXCESA-N 1 0 366.368 0.990 50 0 FCAARO Cc1c(NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)cccc1-c1nncn1C ZINC000952989558 1206218243 /nfs/dbraw/zinc/21/82/43/1206218243.db2.gz RAMRHSFQTFKTHE-CYBMUJFWSA-N 1 0 356.430 0.926 50 0 FCAARO Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000952987865 1206218374 /nfs/dbraw/zinc/21/83/74/1206218374.db2.gz LUQBUJNOCHAYGM-UHFFFAOYSA-N 1 0 357.462 0.999 50 0 FCAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000012711264 1212323360 /nfs/dbraw/zinc/32/33/60/1212323360.db2.gz GBIWRXLHETUQDE-INIZCTEOSA-N 1 0 368.522 0.450 50 0 FCAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4ccccc4F)c3)CN2C1=O ZINC000014752012 1213910536 /nfs/dbraw/zinc/91/05/36/1213910536.db2.gz LJLBPHOYDRMIAF-QRTARXTBSA-N 1 0 371.416 0.979 50 0 FCAARO O[C@H]1C[N@H+](CCCn2cccn2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000019742033 1214307909 /nfs/dbraw/zinc/30/79/09/1214307909.db2.gz SJIIQSSXMROHJP-ROUUACIJSA-N 1 0 356.474 0.536 50 0 FCAARO COc1c(C)cnc(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)c1C ZINC000077485686 1218622522 /nfs/dbraw/zinc/62/25/22/1218622522.db2.gz FXMDALGLGUTNOM-UHFFFAOYSA-N 1 0 373.461 0.134 50 0 FCAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)COCC(N)=O)C2)CC1 ZINC000072164131 1219213818 /nfs/dbraw/zinc/21/38/18/1219213818.db2.gz GYZORBGRWBYHQO-KRWDZBQOSA-N 1 0 374.485 0.610 50 0 FCAARO COC[C@H]1CC[N@H+](Cc2cc3n(n2)CCN(C(=O)Cc2ncccn2)C3)C1 ZINC000072423650 1219330453 /nfs/dbraw/zinc/33/04/53/1219330453.db2.gz SDELFNCLJGMYDK-HNNXBMFYSA-N 1 0 370.457 0.726 50 0 FCAARO Cc1nc[nH]c1CN1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012444461 1245290091 /nfs/dbraw/zinc/29/00/91/1245290091.db2.gz ZSXRNGNUMHLZKG-QZTJIDSGSA-N 1 0 356.474 0.871 50 0 FCAARO CC[N@@H+]1CC[C@]2(CCN(c3nc4nonc4nc3N3CCOCC3)C2)C1 ZINC000012570262 1245290202 /nfs/dbraw/zinc/29/02/02/1245290202.db2.gz PZJXZPHZHGXMPI-KRWDZBQOSA-N 1 0 359.434 0.772 50 0 FCAARO Cc1nccc(N2CCC(Cn3cc(CN4CC[NH2+]CC4)nn3)CC2)n1 ZINC000023158740 1245291146 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FCAARO O=C(c1ccc(N2CC[C@H](CO)C2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067833880 205395265 /nfs/dbraw/zinc/39/52/65/205395265.db2.gz GZIJNBWVJKVIRN-INIZCTEOSA-N 1 0 374.485 0.837 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)ncn2CCO ZINC000067833702 205396275 /nfs/dbraw/zinc/39/62/75/205396275.db2.gz ZXEDJKUOLVCKBH-BBRMVZONSA-N 1 0 359.430 0.095 50 0 FCAARO O=C1N[C@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1Cc1ncccn1 ZINC000067866834 205397323 /nfs/dbraw/zinc/39/73/23/205397323.db2.gz DRMNCIWHSTUMAW-SFHVURJKSA-N 1 0 352.398 0.819 50 0 FCAARO CN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C1CC1)C2 ZINC000067869287 205399056 /nfs/dbraw/zinc/39/90/56/205399056.db2.gz DJYWAGJMWGRHJX-AUUYWEPGSA-N 1 0 357.458 0.704 50 0 FCAARO CC(=O)NCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072149969 205483751 /nfs/dbraw/zinc/48/37/51/205483751.db2.gz JUBRRHQOUOLUDJ-CDHQVMDDSA-N 1 0 371.437 0.940 50 0 FCAARO Cc1cc(N2CCCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)cc[nH+]1 ZINC000077471067 205604647 /nfs/dbraw/zinc/60/46/47/205604647.db2.gz UBKHQPPOXOQQJA-UHFFFAOYSA-N 1 0 357.414 0.287 50 0 FCAARO O=C(NCc1c(F)cccc1Cl)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077488054 205606880 /nfs/dbraw/zinc/60/68/80/205606880.db2.gz OGDZKACOWRSCBN-UHFFFAOYSA-N 1 0 366.828 0.906 50 0 FCAARO O=C(CN1CCOC[C@](O)(C[NH+]2CCCC2)C1)NCCc1ccccc1 ZINC000077424915 205598644 /nfs/dbraw/zinc/59/86/44/205598644.db2.gz YFWGGZUJIOHLKL-FQEVSTJZSA-N 1 0 361.486 0.504 50 0 FCAARO CCc1ncc(C(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)cn1 ZINC000091693965 205688465 /nfs/dbraw/zinc/68/84/65/205688465.db2.gz ZVUPGUCOZJRGEM-IBGZPJMESA-N 1 0 362.474 0.974 50 0 FCAARO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237605599 206105044 /nfs/dbraw/zinc/10/50/44/206105044.db2.gz FRBRMLMRUCJYOV-IYBDPMFKSA-N 1 0 366.506 0.156 50 0 FCAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000237238127 206094374 /nfs/dbraw/zinc/09/43/74/206094374.db2.gz OTVBHUYONGOYDD-MDZLAQPJSA-N 1 0 362.348 0.626 50 0 FCAARO [NH3+]CCCOC1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000237822061 206109851 /nfs/dbraw/zinc/10/98/51/206109851.db2.gz OISGLPRKXGQMCK-NSHDSACASA-N 1 0 351.369 0.754 50 0 FCAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000237931370 206111278 /nfs/dbraw/zinc/11/12/78/206111278.db2.gz IRNWHPWKMQERNT-MRVPVSSYSA-N 1 0 363.233 0.942 50 0 FCAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000003455648 206162718 /nfs/dbraw/zinc/16/27/18/206162718.db2.gz KMYZFKUOEQFQIN-KBPBESRZSA-N 1 0 353.488 0.971 50 0 FCAARO CC(C)CN(C(=O)CSc1nc(N)cc(N)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000007784255 206210175 /nfs/dbraw/zinc/21/01/75/206210175.db2.gz XPOFQJAUFZWGKI-SNVBAGLBSA-N 1 0 373.504 0.405 50 0 FCAARO COc1ccc(N2CCn3c2nnc(C(=O)NCC[NH+](C)C)c3=O)cc1 ZINC000012233884 206289268 /nfs/dbraw/zinc/28/92/68/206289268.db2.gz ZMIQVJKWEZEAAM-UHFFFAOYSA-N 1 0 358.402 0.090 50 0 FCAARO O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000186940023 206323230 /nfs/dbraw/zinc/32/32/30/206323230.db2.gz VKSNIQFUHHXECX-ZDUSSCGKSA-N 1 0 352.401 0.892 50 0 FCAARO NC(=O)C1CC[NH+](CCC(=O)N2CCc3[nH]c(-c4cn[nH]c4)nc3C2)CC1 ZINC000216052573 206354096 /nfs/dbraw/zinc/35/40/96/206354096.db2.gz UOSZOMGZBUZDHS-UHFFFAOYSA-N 1 0 371.445 0.272 50 0 FCAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000022579665 206378910 /nfs/dbraw/zinc/37/89/10/206378910.db2.gz LMXJOOWPCWFMPU-MRXNPFEDSA-N 1 0 374.551 0.192 50 0 FCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nnc3n1CCCC3)C2 ZINC000219884468 206392477 /nfs/dbraw/zinc/39/24/77/206392477.db2.gz PPVWDWKCDGHFHO-AWEZNQCLSA-N 1 0 359.434 0.062 50 0 FCAARO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCC[NH+](C)C)C2=O)cc1 ZINC000096221154 206540364 /nfs/dbraw/zinc/54/03/64/206540364.db2.gz LTWJQMHRMWKHNX-HNNXBMFYSA-N 1 0 362.430 0.574 50 0 biogenic FCAARO C[C@@H](C[NH+]1CCCC1)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077458628 132186142 /nfs/dbraw/zinc/18/61/42/132186142.db2.gz SWSWPOMBIIVDEB-HNNXBMFYSA-N 1 0 361.490 0.845 50 0 FCAARO COC[C@]1(O)CC[N@H+](Cc2cnc(N3CCOCC3)nc2)CC1(C)C ZINC000091574595 132202453 /nfs/dbraw/zinc/20/24/53/132202453.db2.gz JEGRWPQQOYQACA-GOSISDBHSA-N 1 0 350.463 0.923 50 0 FCAARO C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCCO)cc2)CC1 ZINC000220750256 132276241 /nfs/dbraw/zinc/27/62/41/132276241.db2.gz YCEINMPGSSPFNY-QZTJIDSGSA-N 1 0 363.458 0.335 50 0 FCAARO Cn1c2ccccc2cc(Cn2ncc(N3CC[NH2+]CC3)cc2=O)c1=O ZINC000072150058 136142806 /nfs/dbraw/zinc/14/28/06/136142806.db2.gz KQGGTVXBHMDRSY-UHFFFAOYSA-N 1 0 351.410 0.553 50 0 FCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000072412437 136145702 /nfs/dbraw/zinc/14/57/02/136145702.db2.gz WKMAXVVZQXICSQ-HNNXBMFYSA-N 1 0 355.442 0.735 50 0 FCAARO OCC[C@H]1CN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072419536 136145800 /nfs/dbraw/zinc/14/58/00/136145800.db2.gz CVUVNSVVJANLNH-HNNXBMFYSA-N 1 0 355.442 0.814 50 0 FCAARO O=C(CN1CCN(c2ncnc3c2CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000072435802 136147263 /nfs/dbraw/zinc/14/72/63/136147263.db2.gz VIBWZCJZXYTFMP-UHFFFAOYSA-N 1 0 358.490 0.299 50 0 FCAARO c1c(CN2CCC[NH2+]CC2)nnn1CC1CCN(c2ncccn2)CC1 ZINC000023429541 136152886 /nfs/dbraw/zinc/15/28/86/136152886.db2.gz AUYLCVXNBVKTLX-UHFFFAOYSA-N 1 0 356.478 0.780 50 0 FCAARO COc1ccc(C(=O)N2CC[C@]3(C2)CN(C)C(=O)CO3)cc1OCC[NH3+] ZINC000426517548 263616752 /nfs/dbraw/zinc/61/67/52/263616752.db2.gz HPGMTALXYJWXDM-GOSISDBHSA-N 1 0 363.414 0.106 50 0 FCAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)O2)CC1 ZINC000426656872 263651270 /nfs/dbraw/zinc/65/12/70/263651270.db2.gz FQQHHFBPPPBMML-CYBMUJFWSA-N 1 0 364.446 0.638 50 0 FCAARO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[NH2+]CC2 ZINC000299756314 488871629 /nfs/dbraw/zinc/87/16/29/488871629.db2.gz LNOXJKRKLLAHQO-UHFFFAOYSA-N 1 0 357.410 0.941 50 0 FCAARO Nc1ccnc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299760695 488872038 /nfs/dbraw/zinc/87/20/38/488872038.db2.gz JHQMIHSPRZKSAZ-MRXNPFEDSA-N 1 0 374.489 0.820 50 0 FCAARO CN(c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1)S(C)(=O)=O ZINC000299763159 488872243 /nfs/dbraw/zinc/87/22/43/488872243.db2.gz HBURLJKRFICVBJ-CQSZACIVSA-N 1 0 369.487 0.517 50 0 FCAARO Cn1c2nc(NCC[NH+](C)C)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000000637560 487469719 /nfs/dbraw/zinc/46/97/19/487469719.db2.gz MSMKQIPDVATTGS-UHFFFAOYSA-N 1 0 360.393 0.584 50 0 FCAARO CN(C)C(=O)Cc1ccccc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000299799256 488874884 /nfs/dbraw/zinc/87/48/84/488874884.db2.gz QRYYKBWLDRTDKX-INIZCTEOSA-N 1 0 359.474 0.829 50 0 FCAARO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc(C(=O)OC)c1 ZINC000299777890 488873290 /nfs/dbraw/zinc/87/32/90/488873290.db2.gz CSXIYAFLWIMVHM-CHWSQXEVSA-N 1 0 351.359 0.104 50 0 FCAARO CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](CCCCOc2ccccc2)C[C@H]1O ZINC000299782841 488873394 /nfs/dbraw/zinc/87/33/94/488873394.db2.gz JMSNJAZSWAYBHJ-IAGOWNOFSA-N 1 0 371.503 0.677 50 0 FCAARO CNC(=O)c1cccnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000301426145 488880083 /nfs/dbraw/zinc/88/00/83/488880083.db2.gz UCNKRPCMYQJTOI-INIZCTEOSA-N 1 0 361.490 0.672 50 0 FCAARO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000012996014 487559625 /nfs/dbraw/zinc/55/96/25/487559625.db2.gz UXYGRDYDQKYTQC-CYBMUJFWSA-N 1 0 355.460 0.513 50 0 FCAARO CCn1c(CCC(N)=O)nnc1SCC(=O)NC1CC[NH+](CC)CC1 ZINC000012986587 487560071 /nfs/dbraw/zinc/56/00/71/487560071.db2.gz BYQJNQIYMHSCMK-UHFFFAOYSA-N 1 0 368.507 0.409 50 0 FCAARO NC(=O)c1c2c(sc1NC(=O)C(=O)NCC[NH+]1CCCCC1)CCC2 ZINC000013629169 487564662 /nfs/dbraw/zinc/56/46/62/487564662.db2.gz HJCMTNNFASGQES-UHFFFAOYSA-N 1 0 364.471 0.876 50 0 FCAARO COc1cccc(CN2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014541883 487573281 /nfs/dbraw/zinc/57/32/81/487573281.db2.gz XACWOGFIRQDXGM-DLBZAZTESA-N 1 0 360.458 0.335 50 0 FCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O ZINC000014541975 487573975 /nfs/dbraw/zinc/57/39/75/487573975.db2.gz YAYALRVAQQEFLO-JKSUJKDBSA-N 1 0 373.457 0.036 50 0 FCAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)C3=NNC(=O)CC3)CC2)[C@H]1O ZINC000019300404 487603104 /nfs/dbraw/zinc/60/31/04/487603104.db2.gz RMGIJCMVMFAHJN-MSOLQXFVSA-N 1 0 370.453 0.790 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)CC1 ZINC000019359730 487604014 /nfs/dbraw/zinc/60/40/14/487604014.db2.gz OIKDZLBBOSCMOL-UHFFFAOYSA-N 1 0 371.485 0.767 50 0 FCAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943753 487618408 /nfs/dbraw/zinc/61/84/08/487618408.db2.gz JBCUFFNKQHMCDJ-CQSZACIVSA-N 1 0 358.442 0.691 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc3nsnc32)CC1 ZINC000022935485 487627737 /nfs/dbraw/zinc/62/77/37/487627737.db2.gz IDVPPHXUFDHFBS-UHFFFAOYSA-N 1 0 362.459 0.384 50 0 FCAARO C[NH+](C)CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000023399200 487635172 /nfs/dbraw/zinc/63/51/72/487635172.db2.gz YSVOBTMSUBYLQI-UXHICEINSA-N 1 0 373.497 0.856 50 0 FCAARO CN(C(=O)C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1)c1ccccc1 ZINC000023478160 487636685 /nfs/dbraw/zinc/63/66/85/487636685.db2.gz FQKBGKQVPZSZLH-UHFFFAOYSA-N 1 0 356.430 0.638 50 0 FCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000032270502 487771871 /nfs/dbraw/zinc/77/18/71/487771871.db2.gz QDGXWIDXEKZFQC-INIZCTEOSA-N 1 0 358.442 0.870 50 0 FCAARO CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(C)(=O)=O)c1 ZINC000033034310 487790969 /nfs/dbraw/zinc/79/09/69/487790969.db2.gz MFULPLHSXAOBCP-UHFFFAOYSA-N 1 0 354.476 0.854 50 0 FCAARO C[NH+](C)CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033268353 487794449 /nfs/dbraw/zinc/79/44/49/487794449.db2.gz MFTPDHUBSUHDPT-UHFFFAOYSA-N 1 0 366.443 0.654 50 0 FCAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)CC)cnc1N1CC[NH2+]CC1 ZINC000035513968 487798879 /nfs/dbraw/zinc/79/88/79/487798879.db2.gz YTBVNNMPTLWHOQ-UHFFFAOYSA-N 1 0 369.491 0.735 50 0 FCAARO Cn1ncc(N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)cc1=O ZINC000065313905 488316923 /nfs/dbraw/zinc/31/69/23/488316923.db2.gz RMIUJTSOIIEQHE-INIZCTEOSA-N 1 0 361.490 0.989 50 0 FCAARO CN1CC(=O)N2C[C@H](NC(=O)CCC[NH2+]Cc3ccccc3)C[C@H]2C1=O ZINC000067947358 488358815 /nfs/dbraw/zinc/35/88/15/488358815.db2.gz PGCSVHXAIJJTCL-CVEARBPZSA-N 1 0 358.442 0.114 50 0 FCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3noc(C)n3)CC2)C1 ZINC000071524210 488377050 /nfs/dbraw/zinc/37/70/50/488377050.db2.gz GBTCVPFGVRFYMJ-CQSZACIVSA-N 1 0 351.451 0.821 50 0 FCAARO NC(=O)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479608 488377156 /nfs/dbraw/zinc/37/71/56/488377156.db2.gz NSBCDSNZISQQMJ-KRWDZBQOSA-N 1 0 373.501 0.750 50 0 FCAARO O=C([O-])C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750779 488377338 /nfs/dbraw/zinc/37/73/38/488377338.db2.gz HELYFRMOXNPYEO-OAHLLOKOSA-N 1 0 360.458 0.959 50 0 FCAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CC(O)C1 ZINC000071765508 488377343 /nfs/dbraw/zinc/37/73/43/488377343.db2.gz OUINYSPZVWCNFW-KRWDZBQOSA-N 1 0 358.486 0.961 50 0 FCAARO O=S(=O)(c1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1)N1CCOCC1 ZINC000072132943 488377796 /nfs/dbraw/zinc/37/77/96/488377796.db2.gz IJBHJTOJGCNBPI-QGZVFWFLSA-N 1 0 370.471 0.027 50 0 FCAARO CNC(=O)c1cccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c1 ZINC000072149581 488378303 /nfs/dbraw/zinc/37/83/03/488378303.db2.gz UNBWNFCFHDRIJA-QGZVFWFLSA-N 1 0 369.487 0.514 50 0 FCAARO Cc1cc[nH+]c(NCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)c1 ZINC000072152415 488378538 /nfs/dbraw/zinc/37/85/38/488378538.db2.gz ZUAKDZYKPPODEX-INIZCTEOSA-N 1 0 371.441 0.902 50 0 FCAARO O=C(CN1C(=O)CNC1=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072156642 488378571 /nfs/dbraw/zinc/37/85/71/488378571.db2.gz DCSNYCLDPLLSKU-MRXNPFEDSA-N 1 0 356.426 0.240 50 0 FCAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000072423053 488380294 /nfs/dbraw/zinc/38/02/94/488380294.db2.gz SYHADOWZVFWNLN-OAHLLOKOSA-N 1 0 362.522 0.703 50 0 FCAARO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072426947 488380597 /nfs/dbraw/zinc/38/05/97/488380597.db2.gz VXSHYXJLOCAYNZ-UHFFFAOYSA-N 1 0 354.410 0.791 50 0 FCAARO COCCCN1C[C@]2(CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072433759 488380965 /nfs/dbraw/zinc/38/09/65/488380965.db2.gz PXZJHFLOKHZSDQ-GOSISDBHSA-N 1 0 364.446 0.304 50 0 FCAARO CS(=O)(=O)c1cnc(NCCn2cccn2)nc1[C@H]1CCC[NH2+]C1 ZINC000072435876 488381074 /nfs/dbraw/zinc/38/10/74/488381074.db2.gz MAAAMAOCYAIVRQ-LBPRGKRZSA-N 1 0 350.448 0.656 50 0 FCAARO C[C@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)c1cn2ccsc2n1 ZINC000077298222 488410198 /nfs/dbraw/zinc/41/01/98/488410198.db2.gz RSWQVBWYSXNNJU-LBPRGKRZSA-N 1 0 374.474 0.384 50 0 FCAARO Cc1cccc([C@H](NC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C2CC2)n1 ZINC000077320452 488410990 /nfs/dbraw/zinc/41/09/90/488410990.db2.gz QSCAXYISPQESRW-GOSISDBHSA-N 1 0 369.473 0.768 50 0 FCAARO CN(CCC[C@H]1CCCO1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077355619 488411634 /nfs/dbraw/zinc/41/16/34/488411634.db2.gz YGLHMISPJSVZPU-HNNXBMFYSA-N 1 0 350.467 0.215 50 0 FCAARO CN1CC2(CCN(C(=O)[C@H]3CCCN3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388947 488412039 /nfs/dbraw/zinc/41/20/39/488412039.db2.gz AYBCONSEHIBYOV-OAHLLOKOSA-N 1 0 350.463 0.646 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCc1nc(-c2ccncc2)no1 ZINC000077471783 488414355 /nfs/dbraw/zinc/41/43/55/488414355.db2.gz RYWKNTIQOVAEOG-OLZOCXBDSA-N 1 0 358.402 0.129 50 0 FCAARO O=C(c1cn2ccsc2n1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077564184 488415481 /nfs/dbraw/zinc/41/54/81/488415481.db2.gz ZZUMWLSKIOOXDH-INIZCTEOSA-N 1 0 350.444 0.695 50 0 FCAARO C[NH+](C)C1(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)CCOCC1 ZINC000078707121 488424348 /nfs/dbraw/zinc/42/43/48/488424348.db2.gz CIEMHJYDZSFHTP-UHFFFAOYSA-N 1 0 355.385 0.922 50 0 FCAARO Cc1nc2c(c(=O)n1C)CN(C(=O)c1cn(CC[C@H]3CCCC[NH2+]3)nn1)C2 ZINC000082166884 488446106 /nfs/dbraw/zinc/44/61/06/488446106.db2.gz VXWQWSWIKJBNNB-CYBMUJFWSA-N 1 0 371.445 0.368 50 0 FCAARO CCc1nc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)c(=O)[nH]1 ZINC000223418159 488448293 /nfs/dbraw/zinc/44/82/93/488448293.db2.gz LDRIGTSYAALBID-HUUCEWRRSA-N 1 0 366.462 0.035 50 0 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355.442 0.758 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000257193004 1182950859 /nfs/dbraw/zinc/95/08/59/1182950859.db2.gz RDPSUCBCYVYFLL-WBVHZDCISA-N 1 0 361.442 0.238 50 0 FCAARO Cn1cncc1C(=O)N1CCC2(C[C@@H](C(=O)N3CCCC3)[N@H+](C)C2)CC1 ZINC000675010983 1183110149 /nfs/dbraw/zinc/11/01/49/1183110149.db2.gz OSGCFDKNZJGOSH-HNNXBMFYSA-N 1 0 359.474 0.969 50 0 FCAARO Cn1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C2CC[NH+](CCCO)CC2)cn1 ZINC000675013197 1183113443 /nfs/dbraw/zinc/11/34/43/1183113443.db2.gz JFHWORCSTIVJTA-SFHVURJKSA-N 1 0 372.473 0.977 50 0 FCAARO CC(C)[NH+]1CCC(OCCCNC(=O)[C@@H]2Cn3cccc3C(=O)N2)CC1 ZINC000169784969 1196782463 /nfs/dbraw/zinc/78/24/63/1196782463.db2.gz WAAAPEZUBSVZOJ-INIZCTEOSA-N 1 0 362.474 0.996 50 0 FCAARO C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000581801358 1198962460 /nfs/dbraw/zinc/96/24/60/1198962460.db2.gz BZEWLFLGSGBYDO-CZUORRHYSA-N 1 0 355.446 0.874 50 0 FCAARO Cn1nccc1C(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802956 1198962775 /nfs/dbraw/zinc/96/27/75/1198962775.db2.gz RVFCYLQSRJTPQX-INIZCTEOSA-N 1 0 361.490 0.679 50 0 FCAARO O=c1ccc(-n2cncn2)nn1CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000585500773 1204857431 /nfs/dbraw/zinc/85/74/31/1204857431.db2.gz PBNMAYCWDUFVNJ-INIZCTEOSA-N 1 0 358.446 0.963 50 0 FCAARO COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C2 ZINC000952975708 1206216753 /nfs/dbraw/zinc/21/67/53/1206216753.db2.gz LQOGCLFTVQSCMY-HIFRSBDPSA-N 1 0 361.442 0.560 50 0 FCAARO Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)no1 ZINC000071745222 1216852571 /nfs/dbraw/zinc/85/25/71/1216852571.db2.gz JCASYKVZJLFDDM-OAHLLOKOSA-N 1 0 363.462 0.918 50 0 FCAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1 ZINC000072409105 1219323823 /nfs/dbraw/zinc/32/38/23/1219323823.db2.gz VYEOCRJQRAVBMD-UHFFFAOYSA-N 1 0 356.426 0.842 50 0 FCAARO CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1C(=O)NCCN1CC)CCO2 ZINC000822921180 1245319330 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FCAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCN(C2CCCCC2)C(=O)C1 ZINC000065384118 205343774 /nfs/dbraw/zinc/34/37/74/205343774.db2.gz LGPFMBHDWPPWAK-OAHLLOKOSA-N 1 0 374.489 0.895 50 0 FCAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@]1(C)CCCCO1)C2 ZINC000065405804 205346607 /nfs/dbraw/zinc/34/66/07/205346607.db2.gz OUXVZFSZZOGWCH-SFHVURJKSA-N 1 0 363.462 0.476 50 0 FCAARO Cc1nc(N2CCN(S(=O)(=O)N(C)C)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067612448 205377206 /nfs/dbraw/zinc/37/72/06/205377206.db2.gz OXPSUYAIEBGPPS-UHFFFAOYSA-N 1 0 368.507 0.704 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(C(=O)CC(C)C)CC1 ZINC000067673413 205380131 /nfs/dbraw/zinc/38/01/31/205380131.db2.gz GOTHMHDQTOCINH-GJZGRUSLSA-N 1 0 352.479 0.335 50 0 FCAARO O=C(c1ccc(N2CCC[C@@H](O)C2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067817006 205393875 /nfs/dbraw/zinc/39/38/75/205393875.db2.gz IXWCENJUTYSXIX-GOSISDBHSA-N 1 0 374.485 0.980 50 0 FCAARO O=C1OCCN1CC[NH2+]C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067689103 205383540 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50 0 FCAARO C[N@@H+]1CCN(C(=O)CCc2nc(Cl)n[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000091625628 488466300 /nfs/dbraw/zinc/46/63/00/488466300.db2.gz WHWKFEOGOXQVJN-OAHLLOKOSA-N 1 0 354.842 0.204 50 0 FCAARO Cn1cnnc1SCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091636926 488467233 /nfs/dbraw/zinc/46/72/33/488467233.db2.gz OTLIJTMDSWOXAJ-ZIAGYGMSSA-N 1 0 353.492 0.460 50 0 FCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(c2ncccc2C(=O)N(C)C)C[C@@H]1CO ZINC000091690960 488467789 /nfs/dbraw/zinc/46/77/89/488467789.db2.gz GEGKHDFBPFNFJD-HZPDHXFCSA-N 1 0 363.506 0.322 50 0 FCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@@H]1CO ZINC000091746590 488469173 /nfs/dbraw/zinc/46/91/73/488469173.db2.gz XZJATCSZRAMBDZ-QZTJIDSGSA-N 1 0 361.486 0.891 50 0 FCAARO CC1(C)CN(Cc2nc3ncccn3n2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091770764 488469723 /nfs/dbraw/zinc/46/97/23/488469723.db2.gz YPDYGMPKHAVCOC-GOSISDBHSA-N 1 0 360.462 0.420 50 0 FCAARO Cc1ncn(CC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1C ZINC000091876743 488471226 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50 0 FCAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000095368016 488481616 /nfs/dbraw/zinc/48/16/16/488481616.db2.gz REQHLOXKXYAAJD-AWEZNQCLSA-N 1 0 358.446 0.938 50 0 FCAARO Cc1nccn1CCC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095370700 488482263 /nfs/dbraw/zinc/48/22/63/488482263.db2.gz FSPZKQCJJPDLPY-CYGHRXIMSA-N 1 0 364.490 0.758 50 0 FCAARO O=C(Cc1cccc(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000095381934 488482634 /nfs/dbraw/zinc/48/26/34/488482634.db2.gz OBNJVHGSVRYQBM-HZPDHXFCSA-N 1 0 350.434 0.892 50 0 FCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c(nnc3ccnn32)c1=O ZINC000095475418 488484610 /nfs/dbraw/zinc/48/46/10/488484610.db2.gz DGBMBBDIWQBTNF-GFCCVEGCSA-N 1 0 355.402 0.040 50 0 FCAARO NS(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000095499030 488485391 /nfs/dbraw/zinc/48/53/91/488485391.db2.gz UBKNKLZNAOMDKP-UHFFFAOYSA-N 1 0 366.487 0.214 50 0 FCAARO Cc1nc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cs1 ZINC000095509583 488485813 /nfs/dbraw/zinc/48/58/13/488485813.db2.gz DZZFCZBPBQBPEJ-HUUCEWRRSA-N 1 0 352.504 0.308 50 0 FCAARO CN(C)C(=O)NCC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095523193 488486515 /nfs/dbraw/zinc/48/65/15/488486515.db2.gz PMGALAARUIHMFL-CQSZACIVSA-N 1 0 350.467 0.422 50 0 FCAARO C[NH2+]CC1CCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000097019637 488492237 /nfs/dbraw/zinc/49/22/37/488492237.db2.gz IVCQJJWQVGRNEV-UHFFFAOYSA-N 1 0 359.430 0.012 50 0 FCAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000097425195 488492759 /nfs/dbraw/zinc/49/27/59/488492759.db2.gz AZDCAQAFMCNISR-OAHLLOKOSA-N 1 0 360.414 0.319 50 0 FCAARO CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCCC[NH+]2CCCC2)C1 ZINC000101529817 488494924 /nfs/dbraw/zinc/49/49/24/488494924.db2.gz JEALUTKGKWXUIP-AWEZNQCLSA-N 1 0 363.458 0.960 50 0 FCAARO O=C(CN1C(=O)CNC1=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000252483479 488518110 /nfs/dbraw/zinc/51/81/10/488518110.db2.gz FCGFUWKABNVACX-UHFFFAOYSA-N 1 0 364.833 0.972 50 0 FCAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1cc(=O)nc2sccn21 ZINC000252535813 488518758 /nfs/dbraw/zinc/51/87/58/488518758.db2.gz GXWIRCWQKQYNSP-LALPHHSUSA-N 1 0 362.455 0.625 50 0 FCAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000262749749 488589951 /nfs/dbraw/zinc/58/99/51/488589951.db2.gz MFIFTKHNHAPDEK-RISCZKNCSA-N 1 0 353.444 0.288 50 0 FCAARO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N2CCOCC2)c1 ZINC000331092683 489172418 /nfs/dbraw/zinc/17/24/18/489172418.db2.gz JBUCWGUFANQZQB-UHFFFAOYSA-N 1 0 357.476 0.636 50 0 FCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCN(c2cnccn2)CC1 ZINC000426436726 489567629 /nfs/dbraw/zinc/56/76/29/489567629.db2.gz QSPBUOFBNOOEFF-OAHLLOKOSA-N 1 0 355.446 0.489 50 0 FCAARO CC(C)C[N@@H+]1CCCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1 ZINC000426494334 489570802 /nfs/dbraw/zinc/57/08/02/489570802.db2.gz HCNXAWFDYLBYIC-INIZCTEOSA-N 1 0 363.506 1.553 50 0 FCAARO COc1cc(=O)n2c(c1C(=O)NCCn1nc(C)c(C)c1C)CC[NH2+]CC2 ZINC000426509822 489571571 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FCAARO Cc1onc(N)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660149623 493330732 /nfs/dbraw/zinc/33/07/32/493330732.db2.gz DGUGFRKPWYRHMW-LBPRGKRZSA-N 1 0 358.464 0.829 50 0 FCAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)C1CCN(C(=O)C2CCC2)CC1 ZINC000670435562 493566790 /nfs/dbraw/zinc/56/67/90/493566790.db2.gz ZZZQJLIVRKAWRI-QGZVFWFLSA-N 1 0 351.491 0.988 50 0 FCAARO Cn1nc2cccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](CO)C3)c2n1 ZINC000670448687 493568880 /nfs/dbraw/zinc/56/88/80/493568880.db2.gz AJQZRNHKHHAULU-CYBMUJFWSA-N 1 0 367.475 0.341 50 0 FCAARO Cc1nccn1CC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670458268 493569748 /nfs/dbraw/zinc/56/97/48/493569748.db2.gz XLXUPLQXCSLVNL-TWMPVWRBSA-N 1 0 365.481 0.875 50 0 FCAARO CC(C)C[N@@H+]1CCCn2nc(CNS(=O)(=O)c3cnn(C)c3)cc2C1 ZINC000082137718 519723365 /nfs/dbraw/zinc/72/33/65/519723365.db2.gz MOLQVJUMPDSLQS-UHFFFAOYSA-N 1 0 366.491 0.957 50 0 FCAARO CC(C)[C@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000059101986 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CN(CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000072165752 488378968 /nfs/dbraw/zinc/37/89/68/488378968.db2.gz ZVXJYBNATDFQBB-OAHLLOKOSA-N 1 0 368.503 0.432 50 0 FCAARO O=C(CCNC(=O)c1ccccc1F)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072169104 488379207 /nfs/dbraw/zinc/37/92/07/488379207.db2.gz GSOFEPYFJLSHOP-GOSISDBHSA-N 1 0 365.405 0.163 50 0 FCAARO CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072169400 488379224 /nfs/dbraw/zinc/37/92/24/488379224.db2.gz UXCKSLSLFYHSHE-QGZVFWFLSA-N 1 0 365.499 0.627 50 0 FCAARO COCCn1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000072314076 488379702 /nfs/dbraw/zinc/37/97/02/488379702.db2.gz JABWRYCJDNTHGZ-JKSUJKDBSA-N 1 0 351.451 0.983 50 0 FCAARO C1CC1c1nc2c(c(N[C@H]3COC[C@@H]3N3CCOCC3)n1)CC[NH2+]CC2 ZINC000072423971 488380446 /nfs/dbraw/zinc/38/04/46/488380446.db2.gz NZDZHNGFILDGTA-IRXDYDNUSA-N 1 0 359.474 0.554 50 0 FCAARO CC(C)[N@@H+]1CCN(Cc2cc3n(n2)CCN(C(=O)c2nc[nH]n2)C3)C[C@H]1C ZINC000072438309 488381200 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O=C(CN1CCc2ccccc2C1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077355018 488411125 /nfs/dbraw/zinc/41/11/25/488411125.db2.gz SHHUZGFVHZYAIV-OAQYLSRUSA-N 1 0 373.497 0.730 50 0 FCAARO CC(C)Cc1cc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)n(C)n1 ZINC000077407902 488412775 /nfs/dbraw/zinc/41/27/75/488412775.db2.gz YGOHAHMGYZGEOL-IBGZPJMESA-N 1 0 364.490 0.918 50 0 FCAARO O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)N1CCCC1 ZINC000077423319 488412968 /nfs/dbraw/zinc/41/29/68/488412968.db2.gz HRSORBXDUGHBHB-XLSPSMHOSA-N 1 0 359.470 0.877 50 0 FCAARO CCCn1nc(C)c(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)c1C ZINC000077424899 488413083 /nfs/dbraw/zinc/41/30/83/488413083.db2.gz HFZJWPNGIGLJFA-UHFFFAOYSA-N 1 0 374.493 0.337 50 0 FCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3c(C)[nH]c(C)cc3=O)CC[C@H]21 ZINC000077453528 488413577 /nfs/dbraw/zinc/41/35/77/488413577.db2.gz LYMKBVQIOORFTL-LSDHHAIUSA-N 1 0 360.458 0.664 50 0 FCAARO CC1CCN(C(=O)CC[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)CC1 ZINC000220368039 488445345 /nfs/dbraw/zinc/44/53/45/488445345.db2.gz HSXQEPVARWBAIR-KRWDZBQOSA-N 1 0 350.463 0.763 50 0 FCAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 ZINC000082134100 488445599 /nfs/dbraw/zinc/44/55/99/488445599.db2.gz ROLJQQYWZSFDSM-OAHLLOKOSA-N 1 0 369.491 0.149 50 0 FCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCN1CCCCO1)C2 ZINC000222611812 488446951 /nfs/dbraw/zinc/44/69/51/488446951.db2.gz LTKPJYGKAIJADQ-MRXNPFEDSA-N 1 0 351.451 0.238 50 0 FCAARO C[NH+](C)CCNC(=O)C[C@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000223232279 488447788 /nfs/dbraw/zinc/44/77/88/488447788.db2.gz GBLRPEPULKHSPV-CYBMUJFWSA-N 1 0 352.822 0.828 50 0 FCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cn3ccsc3n1)C2 ZINC000223615066 488448951 /nfs/dbraw/zinc/44/89/51/488448951.db2.gz IZMMLMKKANIQLZ-AWEZNQCLSA-N 1 0 360.443 0.843 50 0 FCAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000243914683 488460093 /nfs/dbraw/zinc/46/00/93/488460093.db2.gz BJJCTDLRVVFRLB-CYBMUJFWSA-N 1 0 352.866 0.822 50 0 FCAARO O=C(c1cnc2c(O)cccn2c1=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000244866532 488462554 /nfs/dbraw/zinc/46/25/54/488462554.db2.gz VXTUNFUMPYMHLY-ZFWWWQNUSA-N 1 0 358.398 0.071 50 0 FCAARO [NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091409892 488462932 /nfs/dbraw/zinc/46/29/32/488462932.db2.gz XTRLQJCHEBJFMY-INIZCTEOSA-N 1 0 360.458 0.523 50 0 FCAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(Cc2ncc[nH]2)CC1 ZINC000091468534 488464255 /nfs/dbraw/zinc/46/42/55/488464255.db2.gz WBXQEHKVMRPFLP-UHFFFAOYSA-N 1 0 358.494 0.665 50 0 FCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000091562815 488465219 /nfs/dbraw/zinc/46/52/19/488465219.db2.gz GSIKRGNWRWVFCJ-LBPRGKRZSA-N 1 0 351.476 0.557 50 0 FCAARO C[C@H](O)[C@@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091563084 488465292 /nfs/dbraw/zinc/46/52/92/488465292.db2.gz OBGDZWUVXDMSDZ-MAUKXSAKSA-N 1 0 374.485 0.563 50 0 FCAARO COc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)o1 ZINC000091596084 488465806 /nfs/dbraw/zinc/46/58/06/488465806.db2.gz KYKSYRYSNLHWBO-CVEARBPZSA-N 1 0 365.474 0.996 50 0 FCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1CO ZINC000091620986 488466315 /nfs/dbraw/zinc/46/63/15/488466315.db2.gz RHWZISLGYJHCQP-HUUCEWRRSA-N 1 0 350.415 0.410 50 0 FCAARO C[N@@H+]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@]12CCNC(=O)CC2 ZINC000091604963 488466621 /nfs/dbraw/zinc/46/66/21/488466621.db2.gz LLIIIBCMSDJCJP-GOSISDBHSA-N 1 0 359.430 0.074 50 0 FCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@@H]2CO)CC1 ZINC000091737921 488468593 /nfs/dbraw/zinc/46/85/93/488468593.db2.gz NDTACMPNWFVWOC-RTBURBONSA-N 1 0 370.497 0.956 50 0 FCAARO O=C(c1ccc(S(=O)(=O)NCc2ccon2)cc1)N1CC[NH2+]CC1 ZINC000091876442 488471372 /nfs/dbraw/zinc/47/13/72/488471372.db2.gz LELLAHPGPYIHEG-UHFFFAOYSA-N 1 0 350.400 0.199 50 0 FCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)Cc3cccc(O)c3)C[C@@H]2CO)CC1 ZINC000092036748 488473000 /nfs/dbraw/zinc/47/30/00/488473000.db2.gz KZVCJGRQDBULGF-QZTJIDSGSA-N 1 0 361.486 0.639 50 0 FCAARO Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CC1 ZINC000092002149 488473087 /nfs/dbraw/zinc/47/30/87/488473087.db2.gz UKPGGZGGKOUPNI-HNNXBMFYSA-N 1 0 359.430 0.711 50 0 FCAARO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000092022365 488473226 /nfs/dbraw/zinc/47/32/26/488473226.db2.gz RJNDZJLESFMTLB-MRXNPFEDSA-N 1 0 356.426 0.286 50 0 FCAARO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000092037591 488473359 /nfs/dbraw/zinc/47/33/59/488473359.db2.gz ZQMRNUQCDPQHMZ-JTQLQIEISA-N 1 0 359.352 0.617 50 0 FCAARO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095352109 488480395 /nfs/dbraw/zinc/48/03/95/488480395.db2.gz RBPNLWDTANYJQM-LSDHHAIUSA-N 1 0 357.414 0.056 50 0 FCAARO COc1c(F)cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1F ZINC000095358804 488480920 /nfs/dbraw/zinc/48/09/20/488480920.db2.gz NBMZUWZBMQCWDG-LBPRGKRZSA-N 1 0 355.385 1.000 50 0 FCAARO Cn1c2ccc(C(=O)NC[C@H]3C[NH2+]CCOC3)cc2nc1N1CCOCC1 ZINC000095370736 488482309 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/nfs/dbraw/zinc/45/01/57/488450157.db2.gz GRJGYEDQKHNHSN-LJQANCHMSA-N 1 0 363.502 0.896 50 0 FCAARO CN(Cc1cc(Br)ccc1F)C(=O)CN1CCNCC1=O ZINC000237245778 488455149 /nfs/dbraw/zinc/45/51/49/488455149.db2.gz KERWAYYJUWOJQP-UHFFFAOYSA-N 1 0 358.211 0.978 50 0 FCAARO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000240936824 488459618 /nfs/dbraw/zinc/45/96/18/488459618.db2.gz SEHZGUHBLAYGNA-QGZVFWFLSA-N 1 0 361.486 0.791 50 0 FCAARO [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)C1CC1 ZINC000091255121 488462243 /nfs/dbraw/zinc/46/22/43/488462243.db2.gz MAFZEIQQJNZSCR-KRWDZBQOSA-N 1 0 359.474 0.921 50 0 FCAARO C[N@@H+]1CCOC[C@H](CNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000244811706 488462373 /nfs/dbraw/zinc/46/23/73/488462373.db2.gz SJQAAVQXMHHWDM-OAHLLOKOSA-N 1 0 358.442 0.871 50 0 FCAARO CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000244840203 488462552 /nfs/dbraw/zinc/46/25/52/488462552.db2.gz UIMONCDMQYQKHK-INIZCTEOSA-N 1 0 355.460 0.219 50 0 FCAARO 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CC[NH+](CC)Cc1cnc2c(C(=O)N3CCN(C)[C@H](CCO)C3)cnn2c1 ZINC000067713800 488355249 /nfs/dbraw/zinc/35/52/49/488355249.db2.gz RFPZTNRBVVADOI-MRXNPFEDSA-N 1 0 374.489 0.710 50 0 FCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCN(C)[C@@H](CCO)C3)cnn2c1 ZINC000067713801 488355285 /nfs/dbraw/zinc/35/52/85/488355285.db2.gz RFPZTNRBVVADOI-INIZCTEOSA-N 1 0 374.489 0.710 50 0 FCAARO CCC(=O)Nc1cccc(OCC(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c1 ZINC000067714804 488355320 /nfs/dbraw/zinc/35/53/20/488355320.db2.gz IOESXJZGOREZLK-HOTGVXAUSA-N 1 0 360.458 0.918 50 0 FCAARO COc1ccc(OCC(=O)N2CCC3(CC2)C(=O)NCCC[N@H+]3C)cc1 ZINC000067804813 488356080 /nfs/dbraw/zinc/35/60/80/488356080.db2.gz AJLJBMABTOXCFX-UHFFFAOYSA-N 1 0 361.442 0.887 50 0 FCAARO CN1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC12CC[NH+](C)CC2 ZINC000067842517 488356822 /nfs/dbraw/zinc/35/68/22/488356822.db2.gz WIBAKFCSDGVKAO-KRWDZBQOSA-N 1 0 369.473 0.501 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000067855655 488356934 /nfs/dbraw/zinc/35/69/34/488356934.db2.gz PCOIXWTZGGJAAW-KGLIPLIRSA-N 1 0 350.394 0.010 50 0 FCAARO O=C(NCc1cccnc1-n1cncn1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067894173 488357829 /nfs/dbraw/zinc/35/78/29/488357829.db2.gz YXENELCOLNXMPH-ZDUSSCGKSA-N 1 0 367.417 0.183 50 0 FCAARO O=C(Cn1cccn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071404282 488377106 /nfs/dbraw/zinc/37/71/06/488377106.db2.gz PLLBCAANGNIWPI-OAHLLOKOSA-N 1 0 359.474 0.865 50 0 FCAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2O)nc1 ZINC000071415540 488377193 /nfs/dbraw/zinc/37/71/93/488377193.db2.gz FSKXRPILTXJWHN-HZPDHXFCSA-N 1 0 372.473 0.966 50 0 FCAARO CC(C)[C@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC1CC1 ZINC000071748630 488377217 /nfs/dbraw/zinc/37/72/17/488377217.db2.gz KGJIQOSJCXSCCE-MRXNPFEDSA-N 1 0 362.474 0.896 50 0 FCAARO CN(C)C(=O)CCNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071404048 488377239 /nfs/dbraw/zinc/37/72/39/488377239.db2.gz BAJBWCFDIMOVPB-UHFFFAOYSA-N 1 0 368.441 0.778 50 0 FCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000071755073 488377312 /nfs/dbraw/zinc/37/73/12/488377312.db2.gz XNDREMOQGSNLTJ-INIZCTEOSA-N 1 0 374.441 0.593 50 0 FCAARO O=C(CN1C(=O)CNC1=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071749782 488377423 /nfs/dbraw/zinc/37/74/23/488377423.db2.gz HGMCDVARIRGSTA-ATZDWAIDSA-N 1 0 368.437 0.627 50 0 FCAARO NC(=O)CCn1cc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)c2ccccc21 ZINC000072127500 488377751 /nfs/dbraw/zinc/37/77/51/488377751.db2.gz NIWPGHLPOPPQES-HXUWFJFHSA-N 1 0 372.469 0.708 50 0 FCAARO CC(=O)NCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072131954 488377866 /nfs/dbraw/zinc/37/78/66/488377866.db2.gz JUBRRHQOUOLUDJ-CWFSZBLJSA-N 1 0 371.437 0.940 50 0 FCAARO O=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072143138 488378067 /nfs/dbraw/zinc/37/80/67/488378067.db2.gz KMSBVRKVWMAOJJ-UHFFFAOYSA-N 1 0 354.458 0.971 50 0 FCAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CCCn3cncn3)CC2)[C@H]1O ZINC000072146476 488378414 /nfs/dbraw/zinc/37/84/14/488378414.db2.gz MCGULFHNKSRPRZ-MSOLQXFVSA-N 1 0 355.442 0.993 50 0 FCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000072153528 488378586 /nfs/dbraw/zinc/37/85/86/488378586.db2.gz HQJQBGYOMABYPN-LJQANCHMSA-N 1 0 360.458 0.459 50 0 FCAARO O=C1CCCN1CCC[NH2+][C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000072162517 488378784 /nfs/dbraw/zinc/37/87/84/488378784.db2.gz KCHIDBDITXDUGC-HZPDHXFCSA-N 1 0 367.471 0.023 50 0 FCAARO Cn1nnnc1SCCNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072162753 488378873 /nfs/dbraw/zinc/37/88/73/488378873.db2.gz FOVFOKKRSHYTFJ-UHFFFAOYSA-N 1 0 355.431 0.870 50 0 FCAARO O=C([C@H]1C[N@@H+](C2CCN(Cc3cccnc3)CC2)CCN1)N1CCCC1 ZINC000072168250 488379019 /nfs/dbraw/zinc/37/90/19/488379019.db2.gz CACVVUTZBASEHK-LJQANCHMSA-N 1 0 357.502 0.942 50 0 FCAARO O=C(NC1CC1)[C@@H]1CNCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000072173688 488379205 /nfs/dbraw/zinc/37/92/05/488379205.db2.gz VATUGOFQFPZGDQ-SFHVURJKSA-N 1 0 356.470 0.975 50 0 FCAARO O=c1[nH]n(CCNc2ncnc3c2CC[NH2+]CC3)c(=O)c2ccccc12 ZINC000072418554 488380098 /nfs/dbraw/zinc/38/00/98/488380098.db2.gz XKINGSBGOBOALF-UHFFFAOYSA-N 1 0 352.398 0.692 50 0 FCAARO O=C(c1c[nH]nc1-n1cnnn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072418946 488380100 /nfs/dbraw/zinc/38/01/00/488380100.db2.gz MOOPOXSIEBKRGQ-UHFFFAOYSA-N 1 0 358.431 0.795 50 0 FCAARO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072425692 488380671 /nfs/dbraw/zinc/38/06/71/488380671.db2.gz YXZUMJIAGIXYIK-UHFFFAOYSA-N 1 0 363.443 0.513 50 0 FCAARO CN(CCC[NH+](C)C)C(=O)C[C@H]1COCCN1C(=O)C(=O)c1ccco1 ZINC000072431527 488380704 /nfs/dbraw/zinc/38/07/04/488380704.db2.gz NJFQYLBFXLJJOE-AWEZNQCLSA-N 1 0 365.430 0.490 50 0 FCAARO CN(Cc1ncc[nH]1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072435412 488380903 /nfs/dbraw/zinc/38/09/03/488380903.db2.gz FRMNQQQGKAZVKN-LLVKDONJSA-N 1 0 350.448 0.707 50 0 FCAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000072434547 488381048 /nfs/dbraw/zinc/38/10/48/488381048.db2.gz HSDHNKSXHISBCU-INIZCTEOSA-N 1 0 362.522 0.921 50 0 FCAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2c[nH]nc2-n2cnnn2)CC1 ZINC000072438881 488381233 /nfs/dbraw/zinc/38/12/33/488381233.db2.gz BREXFWQUBAAWQU-UHFFFAOYSA-N 1 0 367.417 0.517 50 0 FCAARO Cc1nnc(SCCNC(=O)CCc2cc3n(n2)CC[NH2+]C3)s1 ZINC000072476488 488381666 /nfs/dbraw/zinc/38/16/66/488381666.db2.gz ZJKXIXGNOWXZBW-UHFFFAOYSA-N 1 0 352.489 0.987 50 0 FCAARO O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072478045 488381772 /nfs/dbraw/zinc/38/17/72/488381772.db2.gz RXHGCISYOOTBJT-KRWDZBQOSA-N 1 0 370.453 0.819 50 0 FCAARO C[C@H]1C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C(N)=O)C[C@H](C)O1 ZINC000075108987 488395602 /nfs/dbraw/zinc/39/56/02/488395602.db2.gz XCUHIEULYJXSHZ-RYUDHWBXSA-N 1 0 370.475 0.344 50 0 FCAARO C[C@@H]1C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C(N)=O)C[C@@H](C)O1 ZINC000075108989 488395626 /nfs/dbraw/zinc/39/56/26/488395626.db2.gz XCUHIEULYJXSHZ-VXGBXAGGSA-N 1 0 370.475 0.344 50 0 FCAARO COCCC[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077298327 488410298 /nfs/dbraw/zinc/41/02/98/488410298.db2.gz JDQUQRFDWJWORU-UHFFFAOYSA-N 1 0 351.495 0.988 50 0 FCAARO C[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)CC1 ZINC000077458378 488414257 /nfs/dbraw/zinc/41/42/57/488414257.db2.gz IAXBLLRZFPHUAD-ROYATCLZSA-N 1 0 361.486 0.979 50 0 FCAARO O=C(c1ccccc1-n1cncn1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077487712 488414643 /nfs/dbraw/zinc/41/46/43/488414643.db2.gz BSVJNQDSQYTTBD-IBGZPJMESA-N 1 0 371.441 0.567 50 0 FCAARO COCCN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cn1 ZINC000191114882 488419114 /nfs/dbraw/zinc/41/91/14/488419114.db2.gz PZCRYOXBWSPCLK-MRXNPFEDSA-N 1 0 358.446 0.793 50 0 FCAARO CCOCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000079097193 488427077 /nfs/dbraw/zinc/42/70/77/488427077.db2.gz ITPGUDYULHVBTP-HNNXBMFYSA-N 1 0 361.508 0.323 50 0 FCAARO [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCCc2ccccc2F)[C@@H]3C1=O ZINC000215161879 488439976 /nfs/dbraw/zinc/43/99/76/488439976.db2.gz YSCKTSJZKKVPEB-GGXPGOJBSA-N 1 0 361.417 0.449 50 0 FCAARO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000215743392 488440522 /nfs/dbraw/zinc/44/05/22/488440522.db2.gz PSCAPEUGZIDVDJ-UHFFFAOYSA-N 1 0 353.444 0.271 50 0 FCAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000216074692 488440889 /nfs/dbraw/zinc/44/08/89/488440889.db2.gz VITRDKKPHGCDFW-HNNXBMFYSA-N 1 0 356.430 0.585 50 0 FCAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(CCOCCO)CC1 ZINC000216089250 488441004 /nfs/dbraw/zinc/44/10/04/488441004.db2.gz AFGQLMYMWXSFJQ-IBGZPJMESA-N 1 0 361.486 0.920 50 0 FCAARO O=C(COc1ccc2nncn2n1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000218883953 488443426 /nfs/dbraw/zinc/44/34/26/488443426.db2.gz LKVKJOUFDVLFBQ-UHFFFAOYSA-N 1 0 360.418 0.263 50 0 FCAARO Cc1nn(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000218990472 488443756 /nfs/dbraw/zinc/44/37/56/488443756.db2.gz NDINOWXMEAZRMB-IRXDYDNUSA-N 1 0 356.426 0.684 50 0 FCAARO CCC[NH+]1CCC(N2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)CC1 ZINC000219472267 488444427 /nfs/dbraw/zinc/44/44/27/488444427.db2.gz CRJYVMGPCQSMQH-QGZVFWFLSA-N 1 0 370.519 0.651 50 0 FCAARO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000220009912 488444613 /nfs/dbraw/zinc/44/46/13/488444613.db2.gz KWISNOPTSGRYQU-CABCVRRESA-N 1 0 351.472 0.880 50 0 FCAARO Cn1c(=O)[nH]cc(CC[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1=O ZINC000082114599 488445511 /nfs/dbraw/zinc/44/55/11/488445511.db2.gz NTFFQHMPSDFZMZ-UHFFFAOYSA-N 1 0 369.425 0.515 50 0 FCAARO CNc1cc(C(=O)N2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)ccn1 ZINC000222449240 488446439 /nfs/dbraw/zinc/44/64/39/488446439.db2.gz UVLPDWNUBVGBLO-INIZCTEOSA-N 1 0 358.446 0.961 50 0 FCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000223915657 488449484 /nfs/dbraw/zinc/44/94/84/488449484.db2.gz QZLNROZTSIADFG-XLNGHYISSA-N 1 0 352.456 0.466 50 0 FCAARO CC[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc2)CC1 ZINC000236893691 488453887 /nfs/dbraw/zinc/45/38/87/488453887.db2.gz DFCFRCUWLVBFSE-UHFFFAOYSA-N 1 0 362.474 0.917 50 0 FCAARO Cn1ccnc1CN1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244574892 488460516 /nfs/dbraw/zinc/46/05/16/488460516.db2.gz CTDZUQNXRAVOIS-SHTZXODSSA-N 1 0 370.505 0.869 50 0 FCAARO Cc1nnnn1Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000244691540 488461089 /nfs/dbraw/zinc/46/10/89/488461089.db2.gz JEQZUFJMRAGDFU-KRWDZBQOSA-N 1 0 358.446 0.606 50 0 FCAARO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(O)cc3)C2)CCOCC1 ZINC000244715754 488461139 /nfs/dbraw/zinc/46/11/39/488461139.db2.gz LBNDNBOQTFJMMU-CQSZACIVSA-N 1 0 361.442 0.972 50 0 FCAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2Cc3nc(C)n(C)c(=O)c3C2)n1 ZINC000244852863 488462529 /nfs/dbraw/zinc/46/25/29/488462529.db2.gz VAMBUCKENMHUGC-HAQNSBGRSA-N 1 0 356.430 0.750 50 0 FCAARO CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000244893095 488462742 /nfs/dbraw/zinc/46/27/42/488462742.db2.gz YVPRJVXLSIPHBA-SFHVURJKSA-N 1 0 367.515 0.855 50 0 FCAARO O=S(=O)(N[C@H]1C[N@@H+](CCCO)C[C@@H]1c1ccccc1)N1CCCC1 ZINC000091381612 488463059 /nfs/dbraw/zinc/46/30/59/488463059.db2.gz LXESFXWFFHXEIX-SJORKVTESA-N 1 0 353.488 0.767 50 0 FCAARO C[N@@H+]1CCN(C(=O)CC(F)(F)F)C[C@]12CCC(=O)N(CCO)CC2 ZINC000091425502 488463463 /nfs/dbraw/zinc/46/34/63/488463463.db2.gz ZCTMIQFXJHICAO-CQSZACIVSA-N 1 0 351.369 0.456 50 0 FCAARO O=C(N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000091493465 488463982 /nfs/dbraw/zinc/46/39/82/488463982.db2.gz LUQFTRFVVIGQQP-AWEZNQCLSA-N 1 0 353.444 0.189 50 0 FCAARO Cc1cc(C)n(CC(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n1 ZINC000091616339 488466539 /nfs/dbraw/zinc/46/65/39/488466539.db2.gz SVIVYTNYWDXHLI-QZTJIDSGSA-N 1 0 363.506 0.204 50 0 FCAARO Cc1nonc1CC(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091690238 488467831 /nfs/dbraw/zinc/46/78/31/488467831.db2.gz RJMNGECHQNVBRJ-KRWDZBQOSA-N 1 0 352.435 0.242 50 0 FCAARO CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@H+](C)C3)ccc1OC ZINC000092106941 488473966 /nfs/dbraw/zinc/47/39/66/488473966.db2.gz RNFOTIFYVUEVTH-CHWSQXEVSA-N 1 0 367.471 0.770 50 0 FCAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc2[nH]c(CO)nc2c1 ZINC000252538470 488518878 /nfs/dbraw/zinc/51/88/78/488518878.db2.gz NBRFOBHMEODUSV-HBUWYVDXSA-N 1 0 358.442 0.924 50 0 FCAARO NC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000262644353 488584093 /nfs/dbraw/zinc/58/40/93/488584093.db2.gz TUUTYZHOMLOSIU-AEFFLSMTSA-N 1 0 369.469 0.915 50 0 FCAARO COc1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1 ZINC000170618054 488814194 /nfs/dbraw/zinc/81/41/94/488814194.db2.gz OGHIYSDXGLAYBQ-KRWDZBQOSA-N 1 0 362.386 0.316 50 0 FCAARO CCC1CCC([N@H+](CCO)CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000170612241 488814269 /nfs/dbraw/zinc/81/42/69/488814269.db2.gz XXNNQZTYPJOPPH-UHFFFAOYSA-N 1 0 358.508 0.962 50 0 FCAARO Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000170631279 488814487 /nfs/dbraw/zinc/81/44/87/488814487.db2.gz FNGODIZRTHLLQO-UHFFFAOYSA-N 1 0 366.443 0.865 50 0 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136145319 /nfs/dbraw/zinc/14/53/19/136145319.db2.gz MLGNZDULRIUBLM-UHFFFAOYSA-N 1 0 359.455 0.462 50 0 FCAARO COc1cccc(C(=O)N2CCN(C(C)=O)C[C@H](O)C2)c1OCCC[NH3+] ZINC000299765573 488872459 /nfs/dbraw/zinc/87/24/59/488872459.db2.gz IHCLFVJCQZGJLL-AWEZNQCLSA-N 1 0 365.430 0.088 50 0 FCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002502247 487470221 /nfs/dbraw/zinc/47/02/21/487470221.db2.gz PCZMDRVHMOCOJG-MRXNPFEDSA-N 1 0 373.434 0.798 50 0 FCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000299797832 488874894 /nfs/dbraw/zinc/87/48/94/488874894.db2.gz OODPLLLHLNESCZ-GJZGRUSLSA-N 1 0 358.398 0.336 50 0 FCAARO COCC(=O)N1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)[C@H](O)C1 ZINC000299765911 488872715 /nfs/dbraw/zinc/87/27/15/488872715.db2.gz ZJMXJFBZDXCRQO-HUUCEWRRSA-N 1 0 365.430 0.213 50 0 FCAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000299783636 488873555 /nfs/dbraw/zinc/87/35/55/488873555.db2.gz XEZSAHWFLBZWPR-ZDUSSCGKSA-N 1 0 370.475 0.732 50 0 FCAARO CC(C)Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[nH]c(=O)n1 ZINC000299780927 488873762 /nfs/dbraw/zinc/87/37/62/488873762.db2.gz AZPMNDFJHIRRAS-CYBMUJFWSA-N 1 0 363.462 0.698 50 0 FCAARO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328643748 488925818 /nfs/dbraw/zinc/92/58/18/488925818.db2.gz AKAHAIFHGBBHPA-RRFJBIMHSA-N 1 0 351.447 0.917 50 0 FCAARO CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2)CC1 ZINC000016972639 487595666 /nfs/dbraw/zinc/59/56/66/487595666.db2.gz AORCDTISQGITMF-OAHLLOKOSA-N 1 0 359.430 0.516 50 0 FCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020062046 487609523 /nfs/dbraw/zinc/60/95/23/487609523.db2.gz QHQUKPUCPPXKSF-VXGBXAGGSA-N 1 0 360.418 0.094 50 0 FCAARO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCC[NH+](C)C)C(=O)N2C(C)C ZINC000020623971 487611124 /nfs/dbraw/zinc/61/11/24/487611124.db2.gz IHBRMIXNLRCGMB-INIZCTEOSA-N 1 0 360.458 0.975 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020566062 487611232 /nfs/dbraw/zinc/61/12/32/487611232.db2.gz UNCYZNYUKMRATD-UUKAKKQJSA-N 1 0 363.801 0.727 50 0 FCAARO NC(=O)NCc1cn(C2CC[NH+](C3CSCCSC3)CC2)nn1 ZINC000020993391 487613367 /nfs/dbraw/zinc/61/33/67/487613367.db2.gz CMZWEQSRIQNHKD-UHFFFAOYSA-N 1 0 356.521 0.932 50 0 FCAARO COCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000021534237 487616071 /nfs/dbraw/zinc/61/60/71/487616071.db2.gz HTHNBUNUWGJAJN-UHFFFAOYSA-N 1 0 355.460 0.146 50 0 FCAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(=O)n3ccsc3n2)cc1 ZINC000023652469 487637880 /nfs/dbraw/zinc/63/78/80/487637880.db2.gz TUUPUXKDFFSYRY-UHFFFAOYSA-N 1 0 364.452 0.736 50 0 FCAARO CC(C)[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000025918396 487673788 /nfs/dbraw/zinc/67/37/88/487673788.db2.gz UZUUJBKSVMSYDX-QGZVFWFLSA-N 1 0 370.453 0.736 50 0 FCAARO O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000026171003 487678246 /nfs/dbraw/zinc/67/82/46/487678246.db2.gz BASKUKRVNPKXMK-UHFFFAOYSA-N 1 0 367.413 0.797 50 0 FCAARO CC(C)(CNC(=O)CC[C@H]1NC(=O)NC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000029161420 487718260 /nfs/dbraw/zinc/71/82/60/487718260.db2.gz KBWFGWAULNHNSL-OAHLLOKOSA-N 1 0 358.442 0.928 50 0 FCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(CC(=O)Nc2cc(C)on2)no1 ZINC000040286928 487814133 /nfs/dbraw/zinc/81/41/33/487814133.db2.gz DXRPQUOFBRAAOE-LLVKDONJSA-N 1 0 362.390 0.761 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000049765305 488101323 /nfs/dbraw/zinc/10/13/23/488101323.db2.gz MMSXPPKURCSIOR-HOTGVXAUSA-N 1 0 358.442 0.949 50 0 FCAARO Cc1ccc([C@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)[NH+](C)C)cc1 ZINC000058217966 488281064 /nfs/dbraw/zinc/28/10/64/488281064.db2.gz YEXLBCALWYTZKZ-INIZCTEOSA-N 1 0 368.441 0.858 50 0 FCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)o1 ZINC000062580593 488300543 /nfs/dbraw/zinc/30/05/43/488300543.db2.gz BQLQVKXEDYSBHP-CYBMUJFWSA-N 1 0 371.459 0.515 50 0 FCAARO CC(C)OCCCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](C)CC1 ZINC000064836187 488314671 /nfs/dbraw/zinc/31/46/71/488314671.db2.gz PXKSIEFYGGFJHS-UHFFFAOYSA-N 1 0 361.446 0.566 50 0 FCAARO CCS(=O)(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)Oc2ccccc21 ZINC000065365763 488316900 /nfs/dbraw/zinc/31/69/00/488316900.db2.gz XUOXSHZLTHTFOQ-INIZCTEOSA-N 1 0 367.471 0.814 50 0 FCAARO Cc1nn2cc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)nc2s1 ZINC000065395211 488317379 /nfs/dbraw/zinc/31/73/79/488317379.db2.gz DIUOTPVWDUHICF-LLVKDONJSA-N 1 0 350.448 0.126 50 0 FCAARO CC[C@@H]1C(=O)N(C)CCN1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385563 488317642 /nfs/dbraw/zinc/31/76/42/488317642.db2.gz OCSVWMRXSAXQMJ-GOSISDBHSA-N 1 0 362.522 0.492 50 0 FCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCC(=O)N(C)C3)cnn2c1 ZINC000067447410 488351302 /nfs/dbraw/zinc/35/13/02/488351302.db2.gz RCJJEECILORWJI-CQSZACIVSA-N 1 0 358.446 0.922 50 0 FCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H]3CCC(=O)N(C)C3)cnn2c1 ZINC000067447411 488351435 /nfs/dbraw/zinc/35/14/35/488351435.db2.gz RCJJEECILORWJI-AWEZNQCLSA-N 1 0 358.446 0.922 50 0 FCAARO Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)nc1 ZINC000067472915 488351830 /nfs/dbraw/zinc/35/18/30/488351830.db2.gz QDQJMMCWPVYUFC-HNNXBMFYSA-N 1 0 360.458 0.397 50 0 FCAARO CNC(=O)C[N@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067563092 488352863 /nfs/dbraw/zinc/35/28/63/488352863.db2.gz XYIASCKSBQYRMT-GOSISDBHSA-N 1 0 367.421 0.366 50 0 FCAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(Oc3ncccn3)CC2)C1=O ZINC000067673057 488354733 /nfs/dbraw/zinc/35/47/33/488354733.db2.gz ACTRUCIFWBZOTK-GOSISDBHSA-N 1 0 364.446 0.320 50 0 FCAARO Cc1cccc2[nH]c(COCC(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)nc21 ZINC000067674428 488354945 /nfs/dbraw/zinc/35/49/45/488354945.db2.gz ZLWGHBSLCMDMBT-OAHLLOKOSA-N 1 0 357.458 0.846 50 0 FCAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000067675088 488354967 /nfs/dbraw/zinc/35/49/67/488354967.db2.gz HANLFIIWLBKWJB-CQSZACIVSA-N 1 0 373.461 0.436 50 0 FCAARO COCCN1CCC[C@](O)(C[N@H+](C)Cc2ccc3c(c2)OCO3)C1=O ZINC000067740845 488355615 /nfs/dbraw/zinc/35/56/15/488355615.db2.gz QCZGBFBRJWNCQQ-SFHVURJKSA-N 1 0 350.415 0.847 50 0 FCAARO CCn1c(C2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)nn(C)c1=O ZINC000067724773 488355687 /nfs/dbraw/zinc/35/56/87/488355687.db2.gz XUOMPMLEEVBLON-UHFFFAOYSA-N 1 0 373.457 0.845 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cnc(-c2cccnc2)nc1C ZINC000067743410 488355694 /nfs/dbraw/zinc/35/56/94/488355694.db2.gz RTXYFKLELXVVRP-ZFWWWQNUSA-N 1 0 354.414 0.525 50 0 FCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc2ccccc2nc1OC ZINC000067743364 488355740 /nfs/dbraw/zinc/35/57/40/488355740.db2.gz WTXHVIYKSLXCJH-NHYWBVRUSA-N 1 0 357.414 0.245 50 0 FCAARO CN1CC[N@H+](C)CC12CCN(c1nccc(N3CCC(O)CC3)n1)CC2 ZINC000067805175 488356197 /nfs/dbraw/zinc/35/61/97/488356197.db2.gz PBOBSVDDZXMOGA-UHFFFAOYSA-N 1 0 360.506 0.654 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1nc2ccccc2[nH]c1=O ZINC000067833333 488356367 /nfs/dbraw/zinc/35/63/67/488356367.db2.gz GEYJJFOTEOYUAV-WBMJQRKESA-N 1 0 371.441 0.309 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1N1CCOCC1 ZINC000067855057 488356902 /nfs/dbraw/zinc/35/69/02/488356902.db2.gz LFVBJVDJSXJOGT-PBHICJAKSA-N 1 0 360.458 0.590 50 0 FCAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000067850636 488356913 /nfs/dbraw/zinc/35/69/13/488356913.db2.gz MOXAZGGKEGHJKR-CYBMUJFWSA-N 1 0 353.492 0.770 50 0 FCAARO CC(C)C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nnc2n1CC[NH2+]CC2 ZINC000067852200 488356921 /nfs/dbraw/zinc/35/69/21/488356921.db2.gz UMKFLSKBLGURCI-GFCCVEGCSA-N 1 0 367.479 0.223 50 0 FCAARO CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3cc(C)oc3C)nn2)C[NH2+]1 ZINC000067851530 488357033 /nfs/dbraw/zinc/35/70/33/488357033.db2.gz QUPYXCOJSBUEOC-ZFWWWQNUSA-N 1 0 360.418 0.409 50 0 FCAARO O=c1[nH]c2cc3c(cc2cc1CN1C[C@H](O)[C@@H]([NH+]2CCCC2)C1)OCO3 ZINC000067846946 488357110 /nfs/dbraw/zinc/35/71/10/488357110.db2.gz LFAQZXUWGWHERW-HOTGVXAUSA-N 1 0 357.410 0.898 50 0 FCAARO COc1cccc(CN2CCC[C@](O)(CN3CC[NH2+]CC3)C2=O)c1OC ZINC000067847275 488357204 /nfs/dbraw/zinc/35/72/04/488357204.db2.gz AZLZKFTZQZJDPO-IBGZPJMESA-N 1 0 363.458 0.463 50 0 FCAARO C[C@@H](C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1)[NH+](C)C ZINC000067909620 488358048 /nfs/dbraw/zinc/35/80/48/488358048.db2.gz PARHEMMUYCZURA-ZDUSSCGKSA-N 1 0 356.430 0.500 50 0 FCAARO COc1cccc2c1OC[C@@H](C(=O)NCCc1nnc3n1CC[NH2+]CC3)C2 ZINC000067908849 488358237 /nfs/dbraw/zinc/35/82/37/488358237.db2.gz ZBVSGHWGYGXKOZ-AWEZNQCLSA-N 1 0 371.441 0.342 50 0 FCAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCS(C)(=O)=O)C2=O)c1 ZINC000067954400 488358674 /nfs/dbraw/zinc/35/86/74/488358674.db2.gz AHHKPHJLOIDKBN-QGZVFWFLSA-N 1 0 354.472 0.483 50 0 FCAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071774525 488377420 /nfs/dbraw/zinc/37/74/20/488377420.db2.gz DOINRXCBZXXYMV-UCUFBTAOSA-N 1 0 358.490 0.692 50 0 FCAARO O=C(CO)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071771241 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/nfs/dbraw/zinc/87/19/02/488871902.db2.gz JHQMIHSPRZKSAZ-INIZCTEOSA-N 1 0 374.489 0.820 50 0 FCAARO [NH3+]CCCOc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1 ZINC000299773928 488872583 /nfs/dbraw/zinc/87/25/83/488872583.db2.gz GVJJWLMKZRHZNV-UHFFFAOYSA-N 1 0 353.386 0.919 50 0 FCAARO O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299790732 488874190 /nfs/dbraw/zinc/87/41/90/488874190.db2.gz CFPPITDZPPAKGD-SFHVURJKSA-N 1 0 370.457 0.918 50 0 FCAARO CC1(C)C[C@H](C[N@@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)CCO1 ZINC000299791326 488874502 /nfs/dbraw/zinc/87/45/02/488874502.db2.gz CYBWVNZDBNYULK-CYBMUJFWSA-N 1 0 356.492 0.953 50 0 FCAARO O=C(C[N@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)NCc1ccccc1 ZINC000299798208 488874977 /nfs/dbraw/zinc/87/49/77/488874977.db2.gz QPFREZJWOMHZRN-DMUMMCEESA-N 1 0 360.454 0.791 50 0 FCAARO Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000299796780 488875113 /nfs/dbraw/zinc/87/51/13/488875113.db2.gz OLSNODLGUNPBIC-ZDUSSCGKSA-N 1 0 370.475 0.611 50 0 FCAARO O=C(c1ccc(-n2cnnc2)nc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299769891 488872905 /nfs/dbraw/zinc/87/29/05/488872905.db2.gz JXDZJJQEEZNCDW-INIZCTEOSA-N 1 0 356.430 0.989 50 0 FCAARO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[NH2+]CC2 ZINC000299777689 488873166 /nfs/dbraw/zinc/87/31/66/488873166.db2.gz NKEYPZJKWIPAES-CYBMUJFWSA-N 1 0 363.414 0.170 50 0 FCAARO CCC[NH+]1CCC(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 ZINC000299776067 488873467 /nfs/dbraw/zinc/87/34/67/488873467.db2.gz NDIXDLWFFNSNEO-UHFFFAOYSA-N 1 0 355.508 0.622 50 0 FCAARO COc1cccc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1OCCC[NH3+] ZINC000299781901 488873522 /nfs/dbraw/zinc/87/35/22/488873522.db2.gz VAZPVMWITTXTCG-UHFFFAOYSA-N 1 0 372.425 0.981 50 0 FCAARO Cn1c2ccc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)cc2sc1=O ZINC000328846840 488942515 /nfs/dbraw/zinc/94/25/15/488942515.db2.gz ANFVWMMWULUECY-UHFFFAOYSA-N 1 0 356.469 0.629 50 0 FCAARO C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4cccc(F)c4)c3)CN2C1=O ZINC000014740436 487573384 /nfs/dbraw/zinc/57/33/84/487573384.db2.gz GEDNNPZIQOGDNL-WPGHFRTFSA-N 1 0 357.389 0.589 50 0 FCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C1=O ZINC000014541577 487573990 /nfs/dbraw/zinc/57/39/90/487573990.db2.gz UCZNTUMIYLVYMZ-KKUMJFAQSA-N 1 0 359.430 0.405 50 0 FCAARO Cc1ccc(F)c(CN2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014743109 487574102 /nfs/dbraw/zinc/57/41/02/487574102.db2.gz ZGEIQWPTADRKEZ-DLBZAZTESA-N 1 0 362.449 0.774 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@]21c2cc(C)cc(C)c2NC1=O ZINC000020566275 487610965 /nfs/dbraw/zinc/61/09/65/487610965.db2.gz RZAJZQDWKRVDQO-GNEJLTCGSA-N 1 0 357.410 0.690 50 0 FCAARO Cc1cnc(N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)nc1-c1ncnn1C ZINC000020914076 487613867 /nfs/dbraw/zinc/61/38/67/487613867.db2.gz DDEZBNBWQADHCQ-INIZCTEOSA-N 1 0 368.489 0.797 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000022033752 487619523 /nfs/dbraw/zinc/61/95/23/487619523.db2.gz UGYNRDGSVLZDRV-MRXNPFEDSA-N 1 0 350.507 0.921 50 0 FCAARO COc1cc2ncn(CCC(=O)NCCC[NH+](C)C)c(=O)c2cc1OC ZINC000032124286 487769111 /nfs/dbraw/zinc/76/91/11/487769111.db2.gz XFNLBDFCFUVLQN-UHFFFAOYSA-N 1 0 362.430 0.872 50 0 biogenic FCAARO COCC[NH+]1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000038582972 487807217 /nfs/dbraw/zinc/80/72/17/487807217.db2.gz KKCMEFGCBSFDDE-UHFFFAOYSA-N 1 0 361.508 0.133 50 0 FCAARO CCC[NH+]1CCN(C(=O)Cn2c3cccnc3n3c(C)nnc3c2=O)CC1 ZINC000065173008 488315975 /nfs/dbraw/zinc/31/59/75/488315975.db2.gz ROTQGIIYETYQLC-UHFFFAOYSA-N 1 0 369.429 0.302 50 0 FCAARO COc1ccc2c(C)c(CC(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)c(=O)oc2c1 ZINC000065369762 488316949 /nfs/dbraw/zinc/31/69/49/488316949.db2.gz LHJCLZWIWFIFPI-OLZOCXBDSA-N 1 0 360.410 0.834 50 0 FCAARO O=C1CNC(=O)[C@H]2CN(C3CC[NH+](CCc4ccccc4)CC3)CCN12 ZINC000065372907 488317260 /nfs/dbraw/zinc/31/72/60/488317260.db2.gz DAMFQVOGRDLYCE-GOSISDBHSA-N 1 0 356.470 0.336 50 0 FCAARO Cc1cccnc1N1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000065398806 488317698 /nfs/dbraw/zinc/31/76/98/488317698.db2.gz NCHZRNGEZCNKSG-MRXNPFEDSA-N 1 0 369.473 0.944 50 0 FCAARO COc1cccc(C[C@@]2(C3CC[NH2+]CC3)NC(=O)N(CCCO)C2=O)c1 ZINC000067774645 488355977 /nfs/dbraw/zinc/35/59/77/488355977.db2.gz NMPVFQCUEDQFGP-IBGZPJMESA-N 1 0 361.442 0.910 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(OC)c(C)cc1C ZINC000067804888 488356250 /nfs/dbraw/zinc/35/62/50/488356250.db2.gz XDYDYVDAYIIRDZ-STQMWFEESA-N 1 0 355.460 0.538 50 0 FCAARO O=C(C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)NC1CC1 ZINC000067817596 488356382 /nfs/dbraw/zinc/35/63/82/488356382.db2.gz JVIQPZGEMSGKOK-SFHVURJKSA-N 1 0 367.396 0.687 50 0 FCAARO CC(C)C[C@H](NS(=O)(=O)c1cn(C)cn1)c1nnc2n1CC[NH2+]CC2 ZINC000067852199 488357220 /nfs/dbraw/zinc/35/72/20/488357220.db2.gz UMKFLSKBLGURCI-LBPRGKRZSA-N 1 0 367.479 0.223 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc2cccnc2n1C ZINC000067893999 488357882 /nfs/dbraw/zinc/35/78/82/488357882.db2.gz WQIRGKVAGMCPAB-JSGCOSHPSA-N 1 0 358.446 0.354 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1nc2ccccc2nc1OC ZINC000067934781 488358350 /nfs/dbraw/zinc/35/83/50/488358350.db2.gz WTXHVIYKSLXCJH-ABAIWWIYSA-N 1 0 357.414 0.245 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc2ccccc2[nH]c1=O ZINC000067956066 488358589 /nfs/dbraw/zinc/35/85/89/488358589.db2.gz GEYJJFOTEOYUAV-LRDDRELGSA-N 1 0 371.441 0.309 50 0 FCAARO CN1CC[N@H+](C)CC12CCN(C(=O)C(=O)N1CCc3ccccc31)CC2 ZINC000067955499 488358658 /nfs/dbraw/zinc/35/86/58/488358658.db2.gz GVMJXSAWMRFKNE-UHFFFAOYSA-N 1 0 356.470 0.814 50 0 FCAARO COC(=O)c1cn([C@@H]2C[NH2+][C@H](C(=O)Nc3cnc4n3CCCC4)C2)nn1 ZINC000071315446 488377222 /nfs/dbraw/zinc/37/72/22/488377222.db2.gz GNOOCOKJIZZJSA-QWRGUYRKSA-N 1 0 359.390 0.139 50 0 FCAARO CNC(=O)CN(C)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071765261 488377325 /nfs/dbraw/zinc/37/73/25/488377325.db2.gz LLEMZVMVUINLBU-UHFFFAOYSA-N 1 0 354.414 0.070 50 0 FCAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CC(O)C1 ZINC000071760107 488377332 /nfs/dbraw/zinc/37/73/32/488377332.db2.gz TUHMZGCLRQYHKB-KRWDZBQOSA-N 1 0 358.486 0.961 50 0 FCAARO CNC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071759036 488377405 /nfs/dbraw/zinc/37/74/05/488377405.db2.gz VPFIYFVUPYDIEI-KRWDZBQOSA-N 1 0 373.501 0.620 50 0 FCAARO COc1cccc([C@@H]2CN(C(=O)Cn3cnnn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072123817 488377720 /nfs/dbraw/zinc/37/77/20/488377720.db2.gz IJTJJXZZYXAJKS-QXAKKESOSA-N 1 0 368.441 0.771 50 0 FCAARO COc1ccccc1CNC(=O)C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072146093 488378023 /nfs/dbraw/zinc/37/80/23/488378023.db2.gz ALUMARRHGLOXJS-OAHLLOKOSA-N 1 0 361.442 0.840 50 0 FCAARO CC(C)N1CCNC(=O)[C@H]1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000072150655 488378272 /nfs/dbraw/zinc/37/82/72/488378272.db2.gz AVWNHDYBZQIHQP-GOSISDBHSA-N 1 0 373.501 0.761 50 0 FCAARO O=S(=O)(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)N1CCOCC1 ZINC000072157963 488378511 /nfs/dbraw/zinc/37/85/11/488378511.db2.gz WZPVTBPYYBBGKM-KRWDZBQOSA-N 1 0 365.499 0.785 50 0 FCAARO Cc1cc[nH+]c(NCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)c1 ZINC000072152414 488378594 /nfs/dbraw/zinc/37/85/94/488378594.db2.gz ZUAKDZYKPPODEX-MRXNPFEDSA-N 1 0 371.441 0.902 50 0 FCAARO C[NH2+]CC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163296 488378779 /nfs/dbraw/zinc/37/87/79/488378779.db2.gz CLMTYAYYTNJRGY-KRWDZBQOSA-N 1 0 374.485 0.743 50 0 FCAARO O=C(NC1CC1)[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC000072165107 488378965 /nfs/dbraw/zinc/37/89/65/488378965.db2.gz JMHZNGCZSYMRFA-SFHVURJKSA-N 1 0 356.470 0.844 50 0 FCAARO O=C(NC[C@@]1(O)CCC[N@H+](CCCn2cnnn2)CC1)c1ccccc1 ZINC000072166604 488379011 /nfs/dbraw/zinc/37/90/11/488379011.db2.gz KKBMAWLDAHELTL-GOSISDBHSA-N 1 0 358.446 0.710 50 0 FCAARO C[NH+](C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000072167821 488379103 /nfs/dbraw/zinc/37/91/03/488379103.db2.gz HVPRKXOPFGUGKL-OAHLLOKOSA-N 1 0 370.856 0.847 50 0 FCAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CCCn3cnnn3)CC2)[C@H]1O ZINC000072172898 488379385 /nfs/dbraw/zinc/37/93/85/488379385.db2.gz LJGDCMFSSVAPSQ-SJORKVTESA-N 1 0 356.430 0.388 50 0 FCAARO O=C(NCCS(=O)(=O)N1CCCC1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072169846 488379419 /nfs/dbraw/zinc/37/94/19/488379419.db2.gz ABTQAWFJNDHZMD-AWEZNQCLSA-N 1 0 351.472 0.919 50 0 FCAARO CO[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccc2C12CC[NH2+]CC2 ZINC000072424134 488380375 /nfs/dbraw/zinc/38/03/75/488380375.db2.gz OFYBKDUMJWTNSK-CVEARBPZSA-N 1 0 370.409 0.184 50 0 FCAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)C[C@H](C)O1 ZINC000072424419 488380565 /nfs/dbraw/zinc/38/05/65/488380565.db2.gz OEFAAMUYPGCOFP-OKILXGFUSA-N 1 0 364.446 0.027 50 0 FCAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072428027 488380681 /nfs/dbraw/zinc/38/06/81/488380681.db2.gz NOKSWXZIPYDXPO-UHFFFAOYSA-N 1 0 372.469 0.650 50 0 FCAARO CN(Cc1ncc[nH]1)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000072435415 488380906 /nfs/dbraw/zinc/38/09/06/488380906.db2.gz FRMNQQQGKAZVKN-NSHDSACASA-N 1 0 350.448 0.707 50 0 FCAARO Cc1cc(C)n(CCNC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c(=O)n1 ZINC000072453427 488381114 /nfs/dbraw/zinc/38/11/14/488381114.db2.gz WWEFCOOZXHPQFZ-UHFFFAOYSA-N 1 0 358.446 0.299 50 0 FCAARO CN(C)c1ccc(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077288186 488410322 /nfs/dbraw/zinc/41/03/22/488410322.db2.gz JNNIYWFNPIKVDO-HXUWFJFHSA-N 1 0 361.486 0.981 50 0 FCAARO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000187919378 488411033 /nfs/dbraw/zinc/41/10/33/488411033.db2.gz KOPXBBMBMULWBC-DLBZAZTESA-N 1 0 372.469 0.097 50 0 FCAARO CCCCN1C[C@@]2(CCCN(C(=O)c3cn(CC[NH3+])nn3)C2)CCC1=O ZINC000077355746 488411765 /nfs/dbraw/zinc/41/17/65/488411765.db2.gz XCWMDAQUYBMLLO-GOSISDBHSA-N 1 0 362.478 0.882 50 0 FCAARO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](C)C2)c(=O)n1-c1ccc2c(c1)OCO2 ZINC000077357563 488411789 /nfs/dbraw/zinc/41/17/89/488411789.db2.gz HIDCCRSLKHZBEC-CQSZACIVSA-N 1 0 373.413 0.234 50 0 FCAARO [NH3+]CC(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 ZINC000077428366 488413138 /nfs/dbraw/zinc/41/31/38/488413138.db2.gz OFXRXTPIBRAORF-UHFFFAOYSA-N 1 0 374.466 0.446 50 0 FCAARO Cn1c(CN2CCC(O)CC2)nnc1C1CCN(CC(C)(C)[NH3+])CC1 ZINC000077470424 488413870 /nfs/dbraw/zinc/41/38/70/488413870.db2.gz LIRIPXJBDJOTNH-UHFFFAOYSA-N 1 0 350.511 0.689 50 0 FCAARO C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H]3C(=O)N(CC(C)(C)C)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077458381 488413931 /nfs/dbraw/zinc/41/39/31/488413931.db2.gz IAXBLLRZFPHUAD-ULMVMLMRSA-N 1 0 361.486 0.979 50 0 FCAARO Cc1c(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)cnc2ccnn21 ZINC000077521640 488415010 /nfs/dbraw/zinc/41/50/10/488415010.db2.gz QXCPAFIIMFJPRS-SFHVURJKSA-N 1 0 359.430 0.337 50 0 FCAARO O=C(c1cn(CC[C@H]2CCCC[NH2+]2)nn1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000077555116 488415255 /nfs/dbraw/zinc/41/52/55/488415255.db2.gz QAEXGNIYMOCZIC-GFCCVEGCSA-N 1 0 359.434 0.480 50 0 FCAARO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC[NH+]1CCCC1 ZINC000080296553 488435173 /nfs/dbraw/zinc/43/51/73/488435173.db2.gz ZBHGXXWZONGLBI-ZDUSSCGKSA-N 1 0 364.471 0.716 50 0 FCAARO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(OCC(N)=O)c(Cl)c3)C[C@H]2C1=O ZINC000215047189 488439971 /nfs/dbraw/zinc/43/99/71/488439971.db2.gz JRQSNUSZGQNDNK-PHIMTYICSA-N 1 0 351.790 0.251 50 0 FCAARO Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)no1 ZINC000215946988 488440976 /nfs/dbraw/zinc/44/09/76/488440976.db2.gz ZADAYMDRRCKSLF-CYBMUJFWSA-N 1 0 364.427 0.553 50 0 FCAARO NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000216134010 488441162 /nfs/dbraw/zinc/44/11/62/488441162.db2.gz JRFTZMNSBABFEY-UHFFFAOYSA-N 1 0 367.471 0.397 50 0 FCAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(CCn2cncn2)CC1 ZINC000218840179 488443090 /nfs/dbraw/zinc/44/30/90/488443090.db2.gz CFQFVBDINACHPC-LJQANCHMSA-N 1 0 368.485 0.912 50 0 FCAARO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000219764689 488444407 /nfs/dbraw/zinc/44/44/07/488444407.db2.gz YYYRVKGUHSJYNP-SFHVURJKSA-N 1 0 368.499 0.795 50 0 FCAARO CN(C)c1ncc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000221200367 488445600 /nfs/dbraw/zinc/44/56/00/488445600.db2.gz VNRPWDOWXPLKDP-QGZVFWFLSA-N 1 0 359.478 0.740 50 0 FCAARO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 ZINC000082134103 488445585 /nfs/dbraw/zinc/44/55/85/488445585.db2.gz ROLJQQYWZSFDSM-HNNXBMFYSA-N 1 0 369.491 0.149 50 0 FCAARO CCc1ncc(C(=O)N2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000223101452 488448159 /nfs/dbraw/zinc/44/81/59/488448159.db2.gz CUMJNBFVYKSXKO-INIZCTEOSA-N 1 0 358.446 0.877 50 0 FCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000223461242 488448253 /nfs/dbraw/zinc/44/82/53/488448253.db2.gz DHYZLSJSTHIKIU-BVPBIZIASA-N 1 0 356.426 0.620 50 0 FCAARO COCCn1cncc1CN1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223738010 488448924 /nfs/dbraw/zinc/44/89/24/488448924.db2.gz GXNSHUQFXBYDME-SFHVURJKSA-N 1 0 362.478 0.727 50 0 FCAARO 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0.503 50 0 FCAARO O=C(CCn1cc(Cl)cn1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077299030 208895299 /nfs/dbraw/zinc/89/52/99/208895299.db2.gz GKPYCAQMNOOREW-MRXNPFEDSA-N 1 0 356.854 0.612 50 0 FCAARO O=C(NCc1nnc2ccccn21)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077390832 208903027 /nfs/dbraw/zinc/90/30/27/208903027.db2.gz LSABTENUORXDGR-CYBMUJFWSA-N 1 0 354.418 0.783 50 0 FCAARO CN1CC[NH+](C[C@@H]2CN(c3nc4ccccc4n3CCO)C[C@@H]2CO)CC1 ZINC000091914930 209004496 /nfs/dbraw/zinc/00/44/96/209004496.db2.gz YQZVZNFWMOVMOT-IAGOWNOFSA-N 1 0 373.501 0.321 50 0 FCAARO C[N@@H+]1CCN(Cc2cccc(OCC(N)=O)c2)C[C@]12CCNC(=O)CC2 ZINC000091943102 209005353 /nfs/dbraw/zinc/00/53/53/209005353.db2.gz FQEWXJUFXNKTNW-IBGZPJMESA-N 1 0 360.458 0.337 50 0 FCAARO O=C(CN1C(=O)CNC1=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000091951753 209007324 /nfs/dbraw/zinc/00/73/24/209007324.db2.gz HANNSLROERXZSZ-UHFFFAOYSA-N 1 0 358.442 0.957 50 0 FCAARO CNC(=O)c1cc2c(s1)CCN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C2 ZINC000091988039 209009593 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374.466 0.776 50 0 FCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)COc3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095371509 209035089 /nfs/dbraw/zinc/03/50/89/209035089.db2.gz AASDZMBCOBBJGH-HZPDHXFCSA-N 1 0 365.449 0.519 50 0 FCAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000095370953 209035580 /nfs/dbraw/zinc/03/55/80/209035580.db2.gz QCUVERYFFGSCKL-INIZCTEOSA-N 1 0 359.478 0.572 50 0 FCAARO COc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000095375066 209036734 /nfs/dbraw/zinc/03/67/34/209036734.db2.gz ZDRXSWWYIFJJMM-AWEZNQCLSA-N 1 0 361.442 0.695 50 0 FCAARO Cc1cnn(CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000095498170 209061004 /nfs/dbraw/zinc/06/10/04/209061004.db2.gz WUIWIFKFCAZJON-QGZVFWFLSA-N 1 0 361.490 0.840 50 0 FCAARO O=C([C@H]1CC(=O)N(Cc2ccncc2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000095504711 209064371 /nfs/dbraw/zinc/06/43/71/209064371.db2.gz CACVQMLZGHOMPT-KRWDZBQOSA-N 1 0 372.469 0.753 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cn(C)c2ccc(C)cc2c1=O ZINC000067821088 221290575 /nfs/dbraw/zinc/29/05/75/221290575.db2.gz UPVLSKIUOYRTBV-WBMJQRKESA-N 1 0 356.426 0.525 50 0 FCAARO COc1ccnc(Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)c1OC ZINC000095510773 209069538 /nfs/dbraw/zinc/06/95/38/209069538.db2.gz ORRKVAYXWRSOFU-UHFFFAOYSA-N 1 0 359.430 0.846 50 0 FCAARO Cc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)nc(N)[nH+]1 ZINC000096140541 132220294 /nfs/dbraw/zinc/22/02/94/132220294.db2.gz YOGUTMOKKSSLMJ-UHFFFAOYSA-N 1 0 372.477 0.712 50 0 FCAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)CC2)cc[nH+]1 ZINC000223937080 132280927 /nfs/dbraw/zinc/28/09/27/132280927.db2.gz NIAMBAAJLHAMPC-CQSZACIVSA-N 1 0 356.430 0.196 50 0 FCAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CCNC3=O)CC2)c1 ZINC000252488613 132292352 /nfs/dbraw/zinc/29/23/52/132292352.db2.gz IVNFVULNOUCUJZ-UHFFFAOYSA-N 1 0 359.474 0.649 50 0 FCAARO Cc1noc(-c2ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](O)C3)nc2)n1 ZINC000071707965 136139626 /nfs/dbraw/zinc/13/96/26/136139626.db2.gz XTMUZMNHKACKFK-HZPDHXFCSA-N 1 0 358.446 0.627 50 0 FCAARO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H]3C[NH2+]CCOC3)ccc21 ZINC000072168654 136143414 /nfs/dbraw/zinc/14/34/14/136143414.db2.gz JBJFUWFWMYULER-AWEZNQCLSA-N 1 0 367.471 0.500 50 0 FCAARO Cc1nc(N2CCN(C(=O)COc3ncccn3)CC2)cc(N(C)C)[nH+]1 ZINC000072446836 136148099 /nfs/dbraw/zinc/14/80/99/136148099.db2.gz COWSAVCWRBVTFN-UHFFFAOYSA-N 1 0 357.418 0.369 50 0 FCAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000072481049 136149782 /nfs/dbraw/zinc/14/97/82/136149782.db2.gz MNSPXGOBCCUGMT-MRXNPFEDSA-N 1 0 369.473 0.884 50 0 FCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)CCc3ccsc3)C[C@@H]2CO)CC1 ZINC000095522234 209074748 /nfs/dbraw/zinc/07/47/48/209074748.db2.gz IYMASESMOLPFQU-IAGOWNOFSA-N 1 0 351.516 0.995 50 0 FCAARO Cc1nc2c(c(=O)n1C)CN(Cc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)C2 ZINC000095530448 209078501 /nfs/dbraw/zinc/07/85/01/209078501.db2.gz CMHUXPQZBZUURT-INIZCTEOSA-N 1 0 372.469 0.906 50 0 FCAARO Cc1nc(CN2CCN(C(=O)Cn3nccc3[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000426422881 263585287 /nfs/dbraw/zinc/58/52/87/263585287.db2.gz KICWVPJMMXYPOW-HNNXBMFYSA-N 1 0 373.461 0.386 50 0 FCAARO COc1ccc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)cc1OCC[NH3+] ZINC000426595116 263641464 /nfs/dbraw/zinc/64/14/64/263641464.db2.gz XSHYFZFFVNITMC-UHFFFAOYSA-N 1 0 358.398 0.591 50 0 FCAARO NC(=O)c1c2c(sc1NC(=O)C[NH2+]CCCN1CCOCC1)CCC2 ZINC000003323226 487470643 /nfs/dbraw/zinc/47/06/43/487470643.db2.gz SGUWHMRGWRRQDI-UHFFFAOYSA-N 1 0 366.487 0.586 50 0 FCAARO O=C(COc1ccccc1)NCC(=O)N1CCN(c2ccccn2)CC1 ZINC000005062505 487485255 /nfs/dbraw/zinc/48/52/55/487485255.db2.gz WDAPXAXQJROFAL-UHFFFAOYSA-N 1 0 354.410 0.925 50 0 FCAARO COc1cc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc(-n2cnnn2)c1 ZINC000299794823 488875257 /nfs/dbraw/zinc/87/52/57/488875257.db2.gz JUUYSBKXOXDERV-HOTGVXAUSA-N 1 0 373.417 0.656 50 0 FCAARO CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@H]1O ZINC000299776733 488873698 /nfs/dbraw/zinc/87/36/98/488873698.db2.gz LCANWROCYROYHZ-IAGOWNOFSA-N 1 0 364.471 0.566 50 0 FCAARO CC[NH+](CC)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 ZINC000012233509 487550923 /nfs/dbraw/zinc/55/09/23/487550923.db2.gz AEICXCFUJXLUQF-UHFFFAOYSA-N 1 0 356.430 0.862 50 0 FCAARO C[NH+](C)CCCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000012342457 487552751 /nfs/dbraw/zinc/55/27/51/487552751.db2.gz MGDNJWYJPIOYFX-UHFFFAOYSA-N 1 0 358.442 0.918 50 0 FCAARO CC[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2)CC1 ZINC000013724893 487565666 /nfs/dbraw/zinc/56/56/66/487565666.db2.gz HYHKJUONAQIGBE-INIZCTEOSA-N 1 0 371.441 0.710 50 0 FCAARO Cn1c2nc(NCC[NH+](C)C)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000013785139 487566284 /nfs/dbraw/zinc/56/62/84/487566284.db2.gz DODVCPIJVHBDKH-UHFFFAOYSA-N 1 0 356.430 0.640 50 0 biogenic FCAARO COc1ccc(C2(C[NH2+][C@H]3CS(=O)(=O)C[C@@H]3O)CCOCC2)cc1 ZINC000013726910 487566557 /nfs/dbraw/zinc/56/65/57/487566557.db2.gz QBVMZOXXMVABGV-HOTGVXAUSA-N 1 0 355.456 0.491 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21c2ccccc2NC1=O ZINC000016021900 487584437 /nfs/dbraw/zinc/58/44/37/487584437.db2.gz VTKFJXWTHNXJPM-YGTYGHESSA-N 1 0 355.394 0.560 50 0 FCAARO Cn1c2[nH]c(CN3CC[NH+](Cc4ccccc4)CC3)nc2c(=O)n(C)c1=O ZINC000020026482 487608361 /nfs/dbraw/zinc/60/83/61/487608361.db2.gz PGZBKDCCJDHMJJ-UHFFFAOYSA-N 1 0 368.441 0.278 50 0 FCAARO C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCC[NH+](C)C)c3=O)s2)C1 ZINC000021537569 487616112 /nfs/dbraw/zinc/61/61/12/487616112.db2.gz XMDMZFDEWYVVIJ-LLVKDONJSA-N 1 0 364.475 0.679 50 0 FCAARO C[C@H]1CCC[N@H+](CCCNC(=O)Cn2c3ccccc3n(C)c(=O)c2=O)C1 ZINC000021943766 487618534 /nfs/dbraw/zinc/61/85/34/487618534.db2.gz KEOXOLZTSDGWLF-HNNXBMFYSA-N 1 0 372.469 0.938 50 0 FCAARO COCCn1nc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1=O ZINC000022970422 487626823 /nfs/dbraw/zinc/62/68/23/487626823.db2.gz GZLIOYJLUSCBAR-OAHLLOKOSA-N 1 0 366.462 0.366 50 0 FCAARO O[C@@H](COc1cccc(C[NH2+]CCc2cnccn2)c1)CN1CCOCC1 ZINC000023337631 487633781 /nfs/dbraw/zinc/63/37/81/487633781.db2.gz HTJVRSIOIMYVTC-LJQANCHMSA-N 1 0 372.469 0.881 50 0 FCAARO C[NH+]1CCN(Cc2ccc(C(=O)NC3CCS(=O)(=O)CC3)cc2)CC1 ZINC000329019076 488960568 /nfs/dbraw/zinc/96/05/68/488960568.db2.gz RTPMJVLHZPDKEK-UHFFFAOYSA-N 1 0 365.499 0.741 50 0 FCAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000057399165 488271204 /nfs/dbraw/zinc/27/12/04/488271204.db2.gz DFPVHRYULDWKJV-ZDUSSCGKSA-N 1 0 354.414 0.858 50 0 FCAARO CCCS(=O)(=O)N1CCN(c2cc(C)[nH+]c(N3CCOCC3)n2)CC1 ZINC000065365082 488316996 /nfs/dbraw/zinc/31/69/96/488316996.db2.gz FGUFDSCWPUZFBT-UHFFFAOYSA-N 1 0 369.491 0.483 50 0 FCAARO CC[C@H]1C(=O)N(C)CCN1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385564 488317876 /nfs/dbraw/zinc/31/78/76/488317876.db2.gz OCSVWMRXSAXQMJ-SFHVURJKSA-N 1 0 362.522 0.492 50 0 FCAARO C[N@@H+]1CCCN(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000065492364 488318561 /nfs/dbraw/zinc/31/85/61/488318561.db2.gz QSUICVUEYGFHTN-SFHVURJKSA-N 1 0 361.490 0.209 50 0 FCAARO CC(C)[C@@H](C)NC(=O)N1CCn2nc(C(=O)NCC[NH+](C)C)cc2C1 ZINC000065527306 488319015 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1286224320 /nfs/dbraw/zinc/22/43/20/1286224320.db2.gz IGGSDRTYXJWQRF-VXGBXAGGSA-N 1 0 364.377 0.618 50 0 FCAARO NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001704336884 1286228845 /nfs/dbraw/zinc/22/88/45/1286228845.db2.gz KLUSMWWESFHQOF-ZDUSSCGKSA-N 1 0 366.487 0.914 50 0 FCAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3C[C@@H](Cc4cnccn4)[C@H](O)C3)nn2)CC1 ZINC001704344518 1286231094 /nfs/dbraw/zinc/23/10/94/1286231094.db2.gz SSZQWZGDGBIMHV-LNCBFAARSA-N 1 0 371.445 0.186 50 0 FCAARO C[NH+](C)C[C@@]12CN(Cc3cncnc3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 ZINC001772807587 1290902035 /nfs/dbraw/zinc/90/20/35/1290902035.db2.gz PJHAURZDNVFXOX-QUCCMNQESA-N 1 0 373.501 0.725 50 0 FCAARO COc1cccc(CN2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2=O)c1 ZINC000077388259 835999722 /nfs/dbraw/zinc/99/97/22/835999722.db2.gz RLCOYTUCGNXCLW-HNNXBMFYSA-N 1 0 351.472 0.946 50 0 FCAARO COCCOCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCOCC1)CCO2 ZINC000581783906 836087027 /nfs/dbraw/zinc/08/70/27/836087027.db2.gz NDTIYRNAPQNCHH-MRXNPFEDSA-N 1 0 356.463 0.522 50 0 FCAARO Cc1c[nH+]ccc1NCCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000825253300 836526063 /nfs/dbraw/zinc/52/60/63/836526063.db2.gz HQQSCOLRDAPMPO-UHFFFAOYSA-N 1 0 362.411 0.647 50 0 FCAARO C[N@@H+]1CCN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1(C)C ZINC000827945823 836535233 /nfs/dbraw/zinc/53/52/33/836535233.db2.gz UECNXVNJVQQLNN-HNNXBMFYSA-N 1 0 357.520 0.438 50 0 FCAARO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000332822874 215214395 /nfs/dbraw/zinc/21/43/95/215214395.db2.gz FVRRWSHUDZYBNV-IRXDYDNUSA-N 1 0 365.522 0.666 50 0 FCAARO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000333549809 215295900 /nfs/dbraw/zinc/29/59/00/215295900.db2.gz JHFDJLFJSDRAEY-AGIUHOORSA-N 1 0 354.476 0.535 50 0 FCAARO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)[C@H]2C1 ZINC000285725525 213384950 /nfs/dbraw/zinc/38/49/50/213384950.db2.gz KAFWFDHOCBYMRX-AGIUHOORSA-N 1 0 352.460 0.779 50 0 FCAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000022579659 209676765 /nfs/dbraw/zinc/67/67/65/209676765.db2.gz LMXJOOWPCWFMPU-INIZCTEOSA-N 1 0 374.551 0.192 50 0 FCAARO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000216424819 209652868 /nfs/dbraw/zinc/65/28/68/209652868.db2.gz FXZMPXMWEAOXQC-UHFFFAOYSA-N 1 0 367.471 0.707 50 0 FCAARO Cn1ccnc1[C@](O)(CCNC(=O)C[NH2+]C[C@@H]1CCCO1)C(F)(F)F ZINC000237911224 209356269 /nfs/dbraw/zinc/35/62/69/209356269.db2.gz LBUXUVONRFLHSA-SMDDNHRTSA-N 1 0 364.368 0.445 50 0 FCAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H]1C[NH3+] ZINC000237508702 209349548 /nfs/dbraw/zinc/34/95/48/209349548.db2.gz YUMVGJBHBHCNMX-SWLSCSKDSA-N 1 0 360.501 0.979 50 0 FCAARO CS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1F ZINC000237442438 209347899 /nfs/dbraw/zinc/34/78/99/209347899.db2.gz BEWVVCTZQHPLTR-NSHDSACASA-N 1 0 364.464 0.897 50 0 FCAARO CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cs1 ZINC000236927405 209262863 /nfs/dbraw/zinc/26/28/63/209262863.db2.gz FICISGMATGSHFN-YUELXQCFSA-N 1 0 368.503 0.608 50 0 FCAARO CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000096180229 209130298 /nfs/dbraw/zinc/13/02/98/209130298.db2.gz FBXZKWYWIYTLCF-YLJYHZDGSA-N 1 0 367.453 0.599 50 0 FCAARO C[N@@H+]1C[C@H]2C[NH+](C3CCN(C(=O)c4cnccn4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000096150992 209124210 /nfs/dbraw/zinc/12/42/10/209124210.db2.gz APMOUBNCWMOFBE-UGSOOPFHSA-N 1 0 359.430 0.029 50 0 FCAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000299778404 206644730 /nfs/dbraw/zinc/64/47/30/206644730.db2.gz QKDHYQSANZECGQ-HNNXBMFYSA-N 1 0 369.491 0.149 50 0 FCAARO C[C@H](c1ccccc1)n1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000894422 206844572 /nfs/dbraw/zinc/84/45/72/206844572.db2.gz OZJASCJKXWVJDK-GFCCVEGCSA-N 1 0 354.414 0.442 50 0 FCAARO O=C1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000004520162 207025022 /nfs/dbraw/zinc/02/50/22/207025022.db2.gz LEHYSKUPXYWIAZ-ZDUSSCGKSA-N 1 0 371.846 0.498 50 0 FCAARO CN1C(=O)[C@@H]2[C@H]([NH+]=C(N3CCOCC3)N2CCc2ccccc2)N(C)C1=O ZINC000004600111 207031867 /nfs/dbraw/zinc/03/18/67/207031867.db2.gz UVKOOJAMXQJHHM-JKSUJKDBSA-N 1 0 371.441 0.451 50 0 FCAARO CN1C(=O)[C@H]2[C@H]([NH+]=C(N3CCOCC3)N2CCc2ccccc2)N(C)C1=O ZINC000004600113 207032324 /nfs/dbraw/zinc/03/23/24/207032324.db2.gz UVKOOJAMXQJHHM-HZPDHXFCSA-N 1 0 371.441 0.451 50 0 FCAARO C1COCCOCCN(P2OCCO2)CCOCCOCC[NH2+]1 ZINC000004772902 207048155 /nfs/dbraw/zinc/04/81/55/207048155.db2.gz GLQCMKOGMKAIEU-UHFFFAOYSA-N 1 0 352.368 0.232 50 0 FCAARO Cn1c2nc(N3CC[NH2+]CC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000004957409 207066187 /nfs/dbraw/zinc/06/61/87/207066187.db2.gz KAOMDRBISAJAPQ-UHFFFAOYSA-N 1 0 368.441 0.086 50 0 FCAARO COC(=O)CC[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000006085685 207129132 /nfs/dbraw/zinc/12/91/32/207129132.db2.gz UBFUOYIVBJXTQF-UHFFFAOYSA-N 1 0 373.431 0.037 50 0 FCAARO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006985785 207181389 /nfs/dbraw/zinc/18/13/89/207181389.db2.gz FGJDISPUMQOWKO-LBPRGKRZSA-N 1 0 373.438 0.860 50 0 FCAARO C[NH+](C)CCCNC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000009303375 207264407 /nfs/dbraw/zinc/26/44/07/207264407.db2.gz VIJCMBUNLGJPHY-UHFFFAOYSA-N 1 0 374.485 0.723 50 0 FCAARO CCOC(=O)CCNC(=O)NCc1cccnc1N1CCC[N@H+](C)CC1 ZINC000011879069 207328127 /nfs/dbraw/zinc/32/81/27/207328127.db2.gz XBEFNWXAAPJZFJ-UHFFFAOYSA-N 1 0 363.462 0.976 50 0 FCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O ZINC000014540419 207521272 /nfs/dbraw/zinc/52/12/72/207521272.db2.gz MCAULVLIHKOWLM-NWDGAFQWSA-N 1 0 350.444 0.029 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000034065323 208101991 /nfs/dbraw/zinc/10/19/91/208101991.db2.gz SUMPYDPSTNYANT-CVEARBPZSA-N 1 0 374.441 0.649 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000034065324 208103223 /nfs/dbraw/zinc/10/32/23/208103223.db2.gz SUMPYDPSTNYANT-HOTGVXAUSA-N 1 0 374.441 0.649 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2ccccc2NC1=O ZINC000035877103 208137116 /nfs/dbraw/zinc/13/71/16/208137116.db2.gz VTKFJXWTHNXJPM-BKEDOTJMSA-N 1 0 355.394 0.560 50 0 FCAARO Cn1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)c2c1CC[NH2+]C2 ZINC000034928759 208116998 /nfs/dbraw/zinc/11/69/98/208116998.db2.gz COMMJWUUBMOTJJ-CQSZACIVSA-N 1 0 359.474 0.931 50 0 FCAARO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CC2)c1 ZINC000045944252 208341357 /nfs/dbraw/zinc/34/13/57/208341357.db2.gz RYGVBXRDGGIFCH-UHFFFAOYSA-N 1 0 351.472 0.970 50 0 FCAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCN(c2ccccc2)C(=O)C1 ZINC000065456453 208681165 /nfs/dbraw/zinc/68/11/65/208681165.db2.gz OIXXHYVWAFLXRP-OAHLLOKOSA-N 1 0 368.441 0.767 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(CSc2ncccn2)o1 ZINC000067966647 208741600 /nfs/dbraw/zinc/74/16/00/208741600.db2.gz OMGNREMPAIXXGX-PWSUYJOCSA-N 1 0 361.427 0.650 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccccc1OC ZINC000067967982 208744610 /nfs/dbraw/zinc/74/46/10/208744610.db2.gz DCGIBXLLINRZGK-STQMWFEESA-N 1 0 355.460 0.654 50 0 FCAARO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCOCC1 ZINC000069921538 208755729 /nfs/dbraw/zinc/75/57/29/208755729.db2.gz DKOVSYKXXJENBB-LJQANCHMSA-N 1 0 358.442 0.863 50 0 FCAARO CCCC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)c3cccn3C)CCO2)CC1 ZINC000072421567 208853886 /nfs/dbraw/zinc/85/38/86/208853886.db2.gz DPASHLHCMWKTNY-QGZVFWFLSA-N 1 0 362.474 0.810 50 0 FCAARO COc1ccc(-n2cc([C@@H](C)NC(=O)c3cn(CC[NH3+])nn3)cn2)cc1 ZINC000077407159 208905619 /nfs/dbraw/zinc/90/56/19/208905619.db2.gz JDFGGTJXZWKSAU-GFCCVEGCSA-N 1 0 355.402 0.922 50 0 FCAARO Cc1cc(C)nc(CN(C)C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)c1 ZINC000077459168 208909911 /nfs/dbraw/zinc/90/99/11/208909911.db2.gz ILEDHXZCWGWBFH-UHFFFAOYSA-N 1 0 357.462 0.467 50 0 FCAARO CN(CCO)C(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000091915414 209005488 /nfs/dbraw/zinc/00/54/88/209005488.db2.gz LIONLXHTTOZJAC-OAHLLOKOSA-N 1 0 367.471 0.220 50 0 FCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091931687 209006420 /nfs/dbraw/zinc/00/64/20/209006420.db2.gz MNMOKPVNTQIBKT-LSDHHAIUSA-N 1 0 361.471 0.817 50 0 FCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000091951552 209007401 /nfs/dbraw/zinc/00/74/01/209007401.db2.gz AKZRKHMMVSFVAR-UKRRQHHQSA-N 1 0 367.471 0.517 50 0 FCAARO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)n(C)n1 ZINC000091965174 209007291 /nfs/dbraw/zinc/00/72/91/209007291.db2.gz BTRMWYSBTMLFFY-SJORKVTESA-N 1 0 363.506 0.579 50 0 FCAARO [NH3+]C1(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCCCC1 ZINC000095972563 209091829 /nfs/dbraw/zinc/09/18/29/209091829.db2.gz KRUKFTKQZMLYIU-UHFFFAOYSA-N 1 0 352.416 0.156 50 0 FCAARO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091988417 209009938 /nfs/dbraw/zinc/00/99/38/209009938.db2.gz UWVMONJTAVGHSB-LBPRGKRZSA-N 1 0 357.414 0.079 50 0 FCAARO O=C(CN1CCNC(=O)C1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092003056 209011561 /nfs/dbraw/zinc/01/15/61/209011561.db2.gz TXRLIULULLKEFB-ZWKOTPCHSA-N 1 0 356.470 0.541 50 0 FCAARO Cc1cc(CNS(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)[nH]n1 ZINC000091997943 209011605 /nfs/dbraw/zinc/01/16/05/209011605.db2.gz VWWAGEBTNJSYNK-ZDUSSCGKSA-N 1 0 363.443 0.370 50 0 FCAARO CSc1nc(N)cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)n1 ZINC000095355806 209024263 /nfs/dbraw/zinc/02/42/63/209024263.db2.gz SMWDWDBGSISITH-ZIAGYGMSSA-N 1 0 367.519 0.530 50 0 FCAARO C[NH2+]CCN(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](COC)C2)c1 ZINC000095353983 209024903 /nfs/dbraw/zinc/02/49/03/209024903.db2.gz VCZCQBYZKIHHPS-AWEZNQCLSA-N 1 0 369.487 0.635 50 0 FCAARO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000095361460 209028352 /nfs/dbraw/zinc/02/83/52/209028352.db2.gz FEYCOJZMJUTHSY-OAHLLOKOSA-N 1 0 367.471 0.532 50 0 FCAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000092046074 209014393 /nfs/dbraw/zinc/01/43/93/209014393.db2.gz MVGZWLKVLXJZNB-CYBMUJFWSA-N 1 0 354.476 0.555 50 0 FCAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000095366202 209030979 /nfs/dbraw/zinc/03/09/79/209030979.db2.gz OYJZUZHTTPHYSL-KRWDZBQOSA-N 1 0 363.506 0.873 50 0 FCAARO CSc1ncc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000095380800 209040444 /nfs/dbraw/zinc/04/04/44/209040444.db2.gz DYHAINKDYQBTFP-HUUCEWRRSA-N 1 0 365.503 0.126 50 0 FCAARO Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c(=O)n1 ZINC000095391581 209047905 /nfs/dbraw/zinc/04/79/05/209047905.db2.gz LDBHZQRHKNIIKA-FUHWJXTLSA-N 1 0 374.485 0.962 50 0 FCAARO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095390937 209048204 /nfs/dbraw/zinc/04/82/04/209048204.db2.gz UIRXUNMZEFJXFL-IBGZPJMESA-N 1 0 374.489 0.620 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095501253 209062085 /nfs/dbraw/zinc/06/20/85/209062085.db2.gz SJSJOHPHGSAGRY-UHFFFAOYSA-N 1 0 354.476 0.849 50 0 FCAARO COc1ccc2c(ccn(CC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2=O)c1OC ZINC000095510512 209069838 /nfs/dbraw/zinc/06/98/38/209069838.db2.gz YBLGYHVAOPEMCL-BETUJISGSA-N 1 0 357.410 0.697 50 0 FCAARO C[N@@H+]1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@]12CCNC(=O)CC2 ZINC000091381935 132201055 /nfs/dbraw/zinc/20/10/55/132201055.db2.gz MZWGJWUTDZXPTN-IBGZPJMESA-N 1 0 372.473 0.503 50 0 FCAARO CCc1cc(N2CCC([NH2+]Cc3nnn[n-]3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095352004 132206796 /nfs/dbraw/zinc/20/67/96/132206796.db2.gz KKHVVFCFSNIFDH-UHFFFAOYSA-N 1 0 373.465 0.147 50 0 FCAARO COCCCn1cnnc1C[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095529232 132215046 /nfs/dbraw/zinc/21/50/46/132215046.db2.gz IFZHUPKKDKQBCN-UHFFFAOYSA-N 1 0 371.449 0.740 50 0 FCAARO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237531185 132247961 /nfs/dbraw/zinc/24/79/61/132247961.db2.gz MBFBPZMPJIPSDS-YVEFUNNKSA-N 1 0 351.422 0.952 50 0 FCAARO OCCN1CC[NH+](C2CCN(c3cc(C4CC(O)C4)ncn3)CC2)CC1 ZINC000223168547 132278813 /nfs/dbraw/zinc/27/88/13/132278813.db2.gz FNLIBRVJCZNOIN-UHFFFAOYSA-N 1 0 361.490 0.294 50 0 FCAARO CN1Cc2ccccc2N(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)C1=O ZINC000223583777 132279816 /nfs/dbraw/zinc/27/98/16/132279816.db2.gz ISFWOQODYNSMFF-BVPBIZIASA-N 1 0 358.442 0.892 50 0 FCAARO C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000229741328 132288317 /nfs/dbraw/zinc/28/83/17/132288317.db2.gz UUGHHPJHYYXDDR-CVEARBPZSA-N 1 0 374.489 0.499 50 0 FCAARO CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3CC[N@H+](C)C[C@@H]32)C1=O ZINC000245329088 132376532 /nfs/dbraw/zinc/37/65/32/132376532.db2.gz XNCJJVVYKFIBEY-CYBMUJFWSA-N 1 0 360.389 0.539 50 0 FCAARO CC[NH+](CC)CC(=O)NN1CC(=O)N(c2cccc(Cl)c2)CC1=O ZINC000004335509 132386886 /nfs/dbraw/zinc/38/68/86/132386886.db2.gz NNPMBBAMGAUODE-UHFFFAOYSA-N 1 0 352.822 0.888 50 0 FCAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCN(C(=O)c3nc[nH]n3)CC2)n1 ZINC000067784293 136137543 /nfs/dbraw/zinc/13/75/43/136137543.db2.gz DDWVMECOZMYEGD-ZDUSSCGKSA-N 1 0 356.434 0.333 50 0 FCAARO COc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc(N)n1 ZINC000072406819 136145106 /nfs/dbraw/zinc/14/51/06/136145106.db2.gz QQJCKWFJBCRYSX-SFHVURJKSA-N 1 0 362.478 0.838 50 0 FCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000072412438 136145741 /nfs/dbraw/zinc/14/57/41/136145741.db2.gz WKMAXVVZQXICSQ-OAHLLOKOSA-N 1 0 355.442 0.735 50 0 FCAARO CS(=O)(=O)c1cnc(N2CCC(CO)CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072430100 136146742 /nfs/dbraw/zinc/14/67/42/136146742.db2.gz DBXOGYWHIDOTCK-CYBMUJFWSA-N 1 0 354.476 0.556 50 0 FCAARO OCCN1CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)CC1 ZINC000072432721 136146936 /nfs/dbraw/zinc/14/69/36/136146936.db2.gz UEKUZDIOODSQKX-UHFFFAOYSA-N 1 0 354.458 0.341 50 0 FCAARO CCN1CCN(c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC1=O ZINC000072433624 136147127 /nfs/dbraw/zinc/14/71/27/136147127.db2.gz VJMAMGBHEDJGEJ-LBPRGKRZSA-N 1 0 367.475 0.016 50 0 FCAARO Cn1c(=O)cc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)n(C)c1=O ZINC000299761928 488871894 /nfs/dbraw/zinc/87/18/94/488871894.db2.gz BVNVUULFYNBLRZ-UHFFFAOYSA-N 1 0 368.437 0.009 50 0 FCAARO Cc1cccc(Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000637501 487469682 /nfs/dbraw/zinc/46/96/82/487469682.db2.gz DVOAFYACSHYASB-UHFFFAOYSA-N 1 0 356.430 0.754 50 0 biogenic FCAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CCOCC3)C2=O)cc1 ZINC000002501704 487470192 /nfs/dbraw/zinc/47/01/92/487470192.db2.gz YXWBYQHBVCKSKG-KRWDZBQOSA-N 1 0 374.441 0.589 50 0 FCAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003211793 487470642 /nfs/dbraw/zinc/47/06/42/487470642.db2.gz YJCPAVJFSGQRGR-CQSZACIVSA-N 1 0 358.460 0.445 50 0 FCAARO CCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000007976542 487510696 /nfs/dbraw/zinc/51/06/96/487510696.db2.gz DLWYVGBLXBPGFH-UHFFFAOYSA-N 1 0 354.476 0.635 50 0 FCAARO CC[N@@H+]1CCC[C@H](CN2CCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000299793096 488874220 /nfs/dbraw/zinc/87/42/20/488874220.db2.gz IZFRWKSAMVPPSW-AWEZNQCLSA-N 1 0 355.508 0.480 50 0 FCAARO COCC(=O)Nc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1C ZINC000299793519 488874246 /nfs/dbraw/zinc/87/42/46/488874246.db2.gz HXOSSDRIQAIFQJ-OLZOCXBDSA-N 1 0 350.419 0.766 50 0 FCAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ncc[nH]c1=O ZINC000299800378 488875169 /nfs/dbraw/zinc/87/51/69/488875169.db2.gz WISDCIUFVCTXPU-WSGJVKOYSA-N 1 0 365.437 0.480 50 0 FCAARO Cc1nn(CCO)cc1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299796545 488875349 /nfs/dbraw/zinc/87/53/49/488875349.db2.gz PFMOERDCAJXSOV-MHORFTMASA-N 1 0 351.447 0.172 50 0 FCAARO CCc1cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)nc(N(C)C)[nH+]1 ZINC000299781199 488873418 /nfs/dbraw/zinc/87/34/18/488873418.db2.gz KPNHQWHVKOHCBN-ZIAGYGMSSA-N 1 0 350.467 0.040 50 0 FCAARO C[C@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)[NH+]1CCCC1 ZINC000011998615 487548530 /nfs/dbraw/zinc/54/85/30/487548530.db2.gz RQLYEKLOBSRDEF-CYBMUJFWSA-N 1 0 365.455 0.967 50 0 FCAARO Cc1ncc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cn1 ZINC000012385645 487552737 /nfs/dbraw/zinc/55/27/37/487552737.db2.gz KRUKJDFFJYTWQY-RTBURBONSA-N 1 0 368.485 0.937 50 0 FCAARO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000012808561 487558333 /nfs/dbraw/zinc/55/83/33/487558333.db2.gz LVXDVZCLEDRFHF-UHFFFAOYSA-N 1 0 358.464 0.512 50 0 FCAARO Cn1c2nc(NCC[NH3+])n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000013514472 487562857 /nfs/dbraw/zinc/56/28/57/487562857.db2.gz DFPIWQAJMWXEAK-UHFFFAOYSA-N 1 0 362.821 0.506 50 0 FCAARO Cn1c2nc(NCCC[NH3+])n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000013810832 487566254 /nfs/dbraw/zinc/56/62/54/487566254.db2.gz GMZQITJQKGRUCD-UHFFFAOYSA-N 1 0 356.430 0.817 50 0 FCAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014743044 487573539 /nfs/dbraw/zinc/57/35/39/487573539.db2.gz TXYVCPKQJDVJBL-UHFFFAOYSA-N 1 0 355.435 0.561 50 0 FCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)CN2C1=O ZINC000014743843 487574195 /nfs/dbraw/zinc/57/41/95/487574195.db2.gz CTPDDKRENKFYPV-SRVKXCTJSA-N 1 0 350.444 0.075 50 0 FCAARO Cc1c(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cnn1C ZINC000015073458 487576871 /nfs/dbraw/zinc/57/68/71/487576871.db2.gz BATGQAZULBQKMF-RTBURBONSA-N 1 0 370.501 0.881 50 0 FCAARO CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3cccc(OC)c3)CC(=O)N2)CC1 ZINC000019528118 487603736 /nfs/dbraw/zinc/60/37/36/487603736.db2.gz YYZOZNNSHDILKH-OAHLLOKOSA-N 1 0 359.430 0.516 50 0 FCAARO CCn1c2ccccc2n(CC(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)c1=O ZINC000021943976 487618632 /nfs/dbraw/zinc/61/86/32/487618632.db2.gz ICXPCEILSGYZHV-CQSZACIVSA-N 1 0 358.442 0.784 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000021933072 487618663 /nfs/dbraw/zinc/61/86/63/487618663.db2.gz JXMMBUNVJFKUTJ-KRWDZBQOSA-N 1 0 362.449 0.932 50 0 FCAARO CC[NH+]1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC)CC1 ZINC000023095789 487628714 /nfs/dbraw/zinc/62/87/14/487628714.db2.gz VCDLSUMTIDDDIP-UHFFFAOYSA-N 1 0 368.459 0.518 50 0 FCAARO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000025307472 487664058 /nfs/dbraw/zinc/66/40/58/487664058.db2.gz IWZOEQQBUXHQGS-AWEZNQCLSA-N 1 0 372.429 0.656 50 0 FCAARO CN(C)S(=O)(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000049343656 488096444 /nfs/dbraw/zinc/09/64/44/488096444.db2.gz OCIBBGHLRGCTDI-UHFFFAOYSA-N 1 0 363.447 0.544 50 0 FCAARO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccco1 ZINC000058281602 488281852 /nfs/dbraw/zinc/28/18/52/488281852.db2.gz HPHYKHXTNWOIBN-CQSZACIVSA-N 1 0 372.429 0.922 50 0 FCAARO O=C(NCC[NH+]1CCCC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111660 488315750 /nfs/dbraw/zinc/31/57/50/488315750.db2.gz JHRLRLBDCWKAJD-UHFFFAOYSA-N 1 0 357.370 0.851 50 0 FCAARO COC(=O)c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)n1C ZINC000065372371 488316874 /nfs/dbraw/zinc/31/68/74/488316874.db2.gz NUVDUUZZQAPZNS-UHFFFAOYSA-N 1 0 355.460 0.918 50 0 FCAARO Cc1ncccc1OC1(C(=O)N2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000065496446 488318186 /nfs/dbraw/zinc/31/81/86/488318186.db2.gz OIBAHNQFLDOBBL-HNNXBMFYSA-N 1 0 360.458 0.970 50 0 FCAARO C[N@@H+]1CCN2CCN(C(=O)c3ccc(-c4ccncc4)[nH]c3=O)C[C@@H]2C1 ZINC000065533648 488319250 /nfs/dbraw/zinc/31/92/50/488319250.db2.gz XSHRUKNQQLGORQ-HNNXBMFYSA-N 1 0 353.426 0.509 50 0 FCAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCS(C)(=O)=O)C2=O)c1 ZINC000067447383 488351388 /nfs/dbraw/zinc/35/13/88/488351388.db2.gz UYXXHGMZYQAOMP-KRWDZBQOSA-N 1 0 370.471 0.183 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000067605547 488353431 /nfs/dbraw/zinc/35/34/31/488353431.db2.gz WJQZMDLJSNNWEF-ZBFHGGJFSA-N 1 0 367.471 0.848 50 0 FCAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[N@@H+]1CCNC(=O)CC1 ZINC000067643103 488354259 /nfs/dbraw/zinc/35/42/59/488354259.db2.gz VVYKIVZBEBMKKT-GOSISDBHSA-N 1 0 367.396 0.640 50 0 FCAARO O=C(CO)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000067724552 488355579 /nfs/dbraw/zinc/35/55/79/488355579.db2.gz BCEYJCFMPZLSPL-INIZCTEOSA-N 1 0 360.458 0.393 50 0 FCAARO CCn1c(=O)n(Cc2cc(=O)n3cc(C)sc3n2)nc1[C@H]1CCC[NH2+]C1 ZINC000067726325 488355611 /nfs/dbraw/zinc/35/56/11/488355611.db2.gz GUDIXIKZFAKDMT-LBPRGKRZSA-N 1 0 374.470 0.958 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50 0 FCAARO O=c1n(CCN2CCOCC2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065407722 221214759 /nfs/dbraw/zinc/21/47/59/221214759.db2.gz XIGWDYQRCWTITK-UHFFFAOYSA-N 1 0 371.485 0.908 50 0 FCAARO Cc1ccc(S(=O)(=O)CCNC(=O)c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000065433293 221218729 /nfs/dbraw/zinc/21/87/29/221218729.db2.gz LJTKGGGMCONTDG-UHFFFAOYSA-N 1 0 362.455 0.889 50 0 FCAARO O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065492379 221225573 /nfs/dbraw/zinc/22/55/73/221225573.db2.gz PRUDCLKCZBVDCU-ZDUSSCGKSA-N 1 0 366.429 0.993 50 0 FCAARO CCC[NH+]1CCC(CC(=O)N2CCCN([C@H]3COC[C@@H]3O)CC2)CC1 ZINC000065491241 221225658 /nfs/dbraw/zinc/22/56/58/221225658.db2.gz AUCKNUJTMIIPLG-ROUUACIJSA-N 1 0 353.507 0.793 50 0 FCAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000067654135 221266336 /nfs/dbraw/zinc/26/63/36/221266336.db2.gz HDCAXKWIVSBUSO-MRXNPFEDSA-N 1 0 369.425 0.856 50 0 FCAARO CC(C)[N@@H+]1C[C@H](O)[C@@H](NC(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)C1 ZINC000067713104 221275343 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FCAARO O=C1NCCN1CC[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000067820433 221289624 /nfs/dbraw/zinc/28/96/24/221289624.db2.gz CBGHLQYATWIWOF-SFHVURJKSA-N 1 0 364.421 0.294 50 0 FCAARO COCCN1CCC[C@](O)(C[NH+]2CCN(c3cc(C)ccn3)CC2)C1=O ZINC000067820184 221289930 /nfs/dbraw/zinc/28/99/30/221289930.db2.gz KQEJUYUKKQSDNL-IBGZPJMESA-N 1 0 362.474 0.512 50 0 FCAARO COCCN1CCC[C@@](O)(C[NH+]2CCN(c3cc(C)ccn3)CC2)C1=O ZINC000067820182 221290079 /nfs/dbraw/zinc/29/00/79/221290079.db2.gz KQEJUYUKKQSDNL-LJQANCHMSA-N 1 0 362.474 0.512 50 0 FCAARO O=C(NCc1nnnn1-c1ccccc1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067756338 221281946 /nfs/dbraw/zinc/28/19/46/221281946.db2.gz YKQOIAGQAMEUKT-CYBMUJFWSA-N 1 0 367.417 0.183 50 0 FCAARO CN1CCN(C(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067771231 221283645 /nfs/dbraw/zinc/28/36/45/221283645.db2.gz LLNFKKKMXMIRTO-ROUUACIJSA-N 1 0 370.497 0.755 50 0 FCAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C(C)(CO)CO)C2=O)cc1 ZINC000067840042 221292581 /nfs/dbraw/zinc/29/25/81/221292581.db2.gz ZOVQSBHYHJGWQB-HXUWFJFHSA-N 1 0 364.486 0.996 50 0 FCAARO CN1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC12CC[NH+](C)CC2 ZINC000067842514 221292827 /nfs/dbraw/zinc/29/28/27/221292827.db2.gz WIBAKFCSDGVKAO-QGZVFWFLSA-N 1 0 369.473 0.501 50 0 FCAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCNC(C)=O)C2=O)c1 ZINC000067847487 221293858 /nfs/dbraw/zinc/29/38/58/221293858.db2.gz JTHLOOFDOBFCOF-GOSISDBHSA-N 1 0 367.421 0.414 50 0 FCAARO CNC(=O)c1[nH]nc2c1CN(c1cc(C3CC[NH2+]CC3)nc(C)n1)CC2 ZINC000067852229 221294857 /nfs/dbraw/zinc/29/48/57/221294857.db2.gz UJAJBCXWEBCBCS-UHFFFAOYSA-N 1 0 355.446 0.897 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCN(c2cccc(C)c2)CC1 ZINC000067850385 221295891 /nfs/dbraw/zinc/29/58/91/221295891.db2.gz OECBAXMEXQTPJD-WMZOPIPTSA-N 1 0 373.501 0.181 50 0 FCAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000067866890 221296666 /nfs/dbraw/zinc/29/66/66/221296666.db2.gz JMFHOJJIHFKHCH-AWEZNQCLSA-N 1 0 373.461 0.436 50 0 FCAARO Cc1nc(N[C@H]2COC[C@@H]2N2CCN(C)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067868470 221297308 /nfs/dbraw/zinc/29/73/08/221297308.db2.gz PZBUTXUTTXOEBD-ROUUACIJSA-N 1 0 360.506 0.679 50 0 FCAARO CC(C)C[C@@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CC[NH2+]CC2 ZINC000067833670 221290850 /nfs/dbraw/zinc/29/08/50/221290850.db2.gz LOWHTXGYOKYVFU-CQSZACIVSA-N 1 0 358.446 0.640 50 0 FCAARO C[NH+](C)[C@H]1CN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C[C@@H]1O ZINC000067894616 221302549 /nfs/dbraw/zinc/30/25/49/221302549.db2.gz PVLFZMALBFEEPO-ROUUACIJSA-N 1 0 369.469 0.950 50 0 FCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)Cn3cncn3)cnn2c1 ZINC000067947676 221307630 /nfs/dbraw/zinc/30/76/30/221307630.db2.gz PKKOZBUYWFOSKK-CYBMUJFWSA-N 1 0 356.434 0.981 50 0 FCAARO Nc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000071415666 221346873 /nfs/dbraw/zinc/34/68/73/221346873.db2.gz WYPYPCPYZVTDAM-UHFFFAOYSA-N 1 0 357.414 0.742 50 0 FCAARO O=C(CN1CCNC(=O)C1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071479458 221350569 /nfs/dbraw/zinc/35/05/69/221350569.db2.gz YWQQXJVLCWHAHN-DUXKGJEZSA-N 1 0 368.481 0.507 50 0 FCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@H]([NH3+])[C@H](C)O ZINC000071551682 221351314 /nfs/dbraw/zinc/35/13/14/221351314.db2.gz BYBILGFXDBXXMK-ZUZCIYMTSA-N 1 0 362.430 0.313 50 0 FCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3nnc(C)o3)CC2)C1 ZINC000071748670 221360457 /nfs/dbraw/zinc/36/04/57/221360457.db2.gz JNPNGBVQMIAAOU-OAHLLOKOSA-N 1 0 365.478 0.817 50 0 FCAARO CS(=O)(=O)NCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071749610 221360699 /nfs/dbraw/zinc/36/06/99/221360699.db2.gz TTXMRMOMCOPGCB-KBAYOESNSA-N 1 0 363.483 0.624 50 0 FCAARO CN1c2ccccc2C2(CCN(C(=O)CCN3CC[NH2+]CC3)CC2)C1=O ZINC000072125627 221410376 /nfs/dbraw/zinc/41/03/76/221410376.db2.gz MRDCFVKNYSMCOA-UHFFFAOYSA-N 1 0 356.470 0.819 50 0 FCAARO CS(=O)(=O)NCC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072163360 221440986 /nfs/dbraw/zinc/44/09/86/221440986.db2.gz URGJVOHZVIHMON-INIZCTEOSA-N 1 0 351.472 0.237 50 0 FCAARO COc1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418194 221506598 /nfs/dbraw/zinc/50/65/98/221506598.db2.gz QCDHZGZFMQLFAI-SFHVURJKSA-N 1 0 351.447 0.448 50 0 FCAARO COc1cc(Br)c(S(=O)(=O)NC2C[NH2+]C2)cc1OC ZINC000090289317 533487036 /nfs/dbraw/zinc/48/70/36/533487036.db2.gz GUVCJHZLUNWPJC-UHFFFAOYSA-N 1 0 351.222 0.716 50 0 FCAARO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4ncccn4)CC3)OC2=O)C1 ZINC000077486334 132186968 /nfs/dbraw/zinc/18/69/68/132186968.db2.gz GAEKEHBKVKIOAN-MRXNPFEDSA-N 1 0 374.489 0.904 50 0 FCAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000082108851 132195304 /nfs/dbraw/zinc/19/53/04/132195304.db2.gz FASXWCPQZZSUGP-STQMWFEESA-N 1 0 355.435 0.351 50 0 FCAARO Cc1nc(CC[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)cc(=O)[nH]1 ZINC000096151079 132220675 /nfs/dbraw/zinc/22/06/75/132220675.db2.gz BFJPNAOVDYYTKU-UHFFFAOYSA-N 1 0 354.418 0.958 50 0 FCAARO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237460382 132248180 /nfs/dbraw/zinc/24/81/80/132248180.db2.gz MBFBPZMPJIPSDS-SJCJKPOMSA-N 1 0 351.422 0.952 50 0 FCAARO CN(C)c1cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cn[nH+]1 ZINC000206724053 132267988 /nfs/dbraw/zinc/26/79/88/132267988.db2.gz AJSXOVYPBKYJEB-UHFFFAOYSA-N 1 0 368.441 0.621 50 0 FCAARO NC(=O)c1cccnc1N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000252571980 132293326 /nfs/dbraw/zinc/29/33/26/132293326.db2.gz YQMXBLMNEZKYCU-BETUJISGSA-N 1 0 353.430 0.502 50 0 FCAARO COc1cc(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)nc(OC)n1 ZINC000065420638 136136353 /nfs/dbraw/zinc/13/63/53/136136353.db2.gz LFMBAPNNACYXGS-UHFFFAOYSA-N 1 0 365.478 0.727 50 0 FCAARO CC(=O)N1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CC1 ZINC000072420184 136145839 /nfs/dbraw/zinc/14/58/39/136145839.db2.gz TWIQXUDVUSOODH-UHFFFAOYSA-N 1 0 352.442 0.895 50 0 FCAARO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072472829 221545632 /nfs/dbraw/zinc/54/56/32/221545632.db2.gz CFXKOXSKKXAPED-LSDHHAIUSA-N 1 0 351.472 0.955 50 0 FCAARO Cc1ccccc1CNC(=O)CN1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077353444 221611272 /nfs/dbraw/zinc/61/12/72/221611272.db2.gz FHMHNNHYVAXUBP-FQEVSTJZSA-N 1 0 361.486 0.770 50 0 FCAARO O=C(Cn1nc2ccccc2n1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077438694 221626339 /nfs/dbraw/zinc/62/63/39/221626339.db2.gz LWFYEMDJTDDFPZ-SFHVURJKSA-N 1 0 359.430 0.117 50 0 FCAARO CC[N@@H+]1CC[C@H](C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)C1 ZINC000091943845 221816847 /nfs/dbraw/zinc/81/68/47/221816847.db2.gz WWAIFDUSLYVBNI-AWEZNQCLSA-N 1 0 359.474 0.778 50 0 FCAARO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CCOCC1 ZINC000095509013 221936435 /nfs/dbraw/zinc/93/64/35/221936435.db2.gz VITQTCFAZJJETC-MRXNPFEDSA-N 1 0 360.458 0.657 50 0 FCAARO Cn1c(-c2ccc(OCCC[NH+](C)C)nc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096151821 222053832 /nfs/dbraw/zinc/05/38/32/222053832.db2.gz KRVWLFVGKPFUFD-UHFFFAOYSA-N 1 0 358.402 0.353 50 0 FCAARO CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC[NH3+] ZINC000096308248 222113383 /nfs/dbraw/zinc/11/33/83/222113383.db2.gz XSTIRQZQKAJSIM-UHFFFAOYSA-N 1 0 365.467 0.760 50 0 in-vitro FCAARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000097166151 222165957 /nfs/dbraw/zinc/16/59/57/222165957.db2.gz DNYKIUKSKLWDIV-LBPRGKRZSA-N 1 0 361.489 0.487 50 0 FCAARO CS(=O)(=O)Nc1ccc(F)c(NC(=O)NC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000097784918 222213302 /nfs/dbraw/zinc/21/33/02/222213302.db2.gz OBSRSDXPABIHGE-CQSZACIVSA-N 1 0 360.411 0.433 50 0 FCAARO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000103296664 222333694 /nfs/dbraw/zinc/33/36/94/222333694.db2.gz GQNWCSVOBNBRRG-OAGGEKHMSA-N 1 0 350.507 0.776 50 0 FCAARO CN1CC[N@H+](C)CC12CCN(C(=O)[C@H](c1ccccc1)n1cnnn1)CC2 ZINC000106725025 222388896 /nfs/dbraw/zinc/38/88/96/222388896.db2.gz UUJYCLMLCJSFCP-KRWDZBQOSA-N 1 0 369.473 0.501 50 0 FCAARO Cc1ccccc1CNC(=O)CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107684829 222398886 /nfs/dbraw/zinc/39/88/86/222398886.db2.gz PIISYAQKTTUXSG-HXUWFJFHSA-N 1 0 358.486 0.898 50 0 FCAARO Cc1nnc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000107679117 222398989 /nfs/dbraw/zinc/39/89/89/222398989.db2.gz BIARPFZOTOOFMV-MRXNPFEDSA-N 1 0 353.492 0.338 50 0 FCAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCNC(=O)c1cccnc1 ZINC000426733939 263664706 /nfs/dbraw/zinc/66/47/06/263664706.db2.gz AOJZGCTWDRXTBB-AWEZNQCLSA-N 1 0 356.430 0.291 50 0 FCAARO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000299750577 488872070 /nfs/dbraw/zinc/87/20/70/488872070.db2.gz NYQWFGDYWNFXMA-OAHLLOKOSA-N 1 0 360.418 0.780 50 0 FCAARO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000299750576 488872011 /nfs/dbraw/zinc/87/20/11/488872011.db2.gz NYQWFGDYWNFXMA-HNNXBMFYSA-N 1 0 360.418 0.780 50 0 FCAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000002769138 487470321 /nfs/dbraw/zinc/47/03/21/487470321.db2.gz PONGEYKULBMCNN-UHFFFAOYSA-N 1 0 354.417 0.019 50 0 FCAARO Cc1ccc(Cn2c(NCC[NH+](C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004115993 487475155 /nfs/dbraw/zinc/47/51/55/487475155.db2.gz ONIJXWBSYISGEA-UHFFFAOYSA-N 1 0 370.457 0.764 50 0 FCAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004892903 487482123 /nfs/dbraw/zinc/48/21/23/487482123.db2.gz MGXSHFGBKOWNLN-XJKSGUPXSA-N 1 0 371.441 0.488 50 0 FCAARO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004892905 487482433 /nfs/dbraw/zinc/48/24/33/487482433.db2.gz MGXSHFGBKOWNLN-CZUORRHYSA-N 1 0 371.441 0.488 50 0 FCAARO Cc1ccc(Cn2c(N3CC[NH2+]CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004949939 487483543 /nfs/dbraw/zinc/48/35/43/487483543.db2.gz NMRONBQQOFJQMI-UHFFFAOYSA-N 1 0 368.441 0.200 50 0 FCAARO C[NH+](C)CCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000006877480 487499130 /nfs/dbraw/zinc/49/91/30/487499130.db2.gz IDRFVDBBJRLFQP-QGZVFWFLSA-N 1 0 372.469 0.701 50 0 FCAARO CCC1=C(C)CN([C@@H](O)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000008156597 487513894 /nfs/dbraw/zinc/51/38/94/487513894.db2.gz QVACVXSDJMOBPS-INIZCTEOSA-N 1 0 353.444 0.311 50 0 FCAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1cn2cccnc2n1 ZINC000011664516 487545289 /nfs/dbraw/zinc/54/52/89/487545289.db2.gz SOZXMYSCQZNNMC-INIZCTEOSA-N 1 0 372.473 0.625 50 0 FCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)CC1 ZINC000012232463 487550634 /nfs/dbraw/zinc/55/06/34/487550634.db2.gz DJZSHXMSYMORAF-WZUFQYTHSA-N 1 0 366.853 0.708 50 0 FCAARO CN(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000013675183 487566577 /nfs/dbraw/zinc/56/65/77/487566577.db2.gz GRNXHKKFIOLUMG-UHFFFAOYSA-N 1 0 374.551 0.887 50 0 FCAARO CC(C)(CNC(=O)CC[C@@H]1NC(=O)NC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000029161415 487718651 /nfs/dbraw/zinc/71/86/51/487718651.db2.gz KBWFGWAULNHNSL-HNNXBMFYSA-N 1 0 358.442 0.928 50 0 FCAARO C[NH+](C)CCNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000031812583 487766057 /nfs/dbraw/zinc/76/60/57/487766057.db2.gz WDZDQVUOYYGEQA-LBPRGKRZSA-N 1 0 362.386 0.108 50 0 FCAARO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000032911877 487786305 /nfs/dbraw/zinc/78/63/05/487786305.db2.gz JWPBQHNJYATWPM-GFCCVEGCSA-N 1 0 358.485 0.853 50 0 FCAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000035421957 487797450 /nfs/dbraw/zinc/79/74/50/487797450.db2.gz ONWHMYOMRSWDKZ-UHFFFAOYSA-N 1 0 363.458 0.996 50 0 FCAARO COCCOC[C@H](O)C[N@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000035345688 487797756 /nfs/dbraw/zinc/79/77/56/487797756.db2.gz IDPVYQJUDYFMJC-ZWKOTPCHSA-N 1 0 366.458 0.320 50 0 FCAARO COc1c2c(c(S(=O)(=O)NCC[NH+](C)C)c3c1CN(C)CC3)OCO2 ZINC000040312877 487813370 /nfs/dbraw/zinc/81/33/70/487813370.db2.gz PKNJNUDHPLLNJJ-UHFFFAOYSA-N 1 0 371.459 0.252 50 0 biogenic FCAARO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000040286754 487814117 /nfs/dbraw/zinc/81/41/17/487814117.db2.gz MVFHYGMFVNUDHY-UHFFFAOYSA-N 1 0 357.418 0.511 50 0 FCAARO COCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(C)c1 ZINC000045944495 487960976 /nfs/dbraw/zinc/96/09/76/487960976.db2.gz HHZIWXSLUYOUNU-UHFFFAOYSA-N 1 0 369.487 0.454 50 0 FCAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CC2)cc1C ZINC000045974303 487961801 /nfs/dbraw/zinc/96/18/01/487961801.db2.gz XPUPMLIRUBJZID-UHFFFAOYSA-N 1 0 351.472 0.888 50 0 FCAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1cccs1 ZINC000051450013 488133205 /nfs/dbraw/zinc/13/32/05/488133205.db2.gz LESSIJLEHAFATN-OLZOCXBDSA-N 1 0 350.444 0.702 50 0 FCAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055252887 488239810 /nfs/dbraw/zinc/23/98/10/488239810.db2.gz JLYKESACPXHIPQ-HNNXBMFYSA-N 1 0 361.442 0.635 50 0 FCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000055254406 488240004 /nfs/dbraw/zinc/24/00/04/488240004.db2.gz NDYOALNNERFGBY-QGZVFWFLSA-N 1 0 355.442 0.745 50 0 FCAARO C[C@@H]1CCC[C@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)([NH+](C)C)C1 ZINC000056986415 488263453 /nfs/dbraw/zinc/26/34/53/488263453.db2.gz KIYFQCXUGLLAHT-DYVFJYSZSA-N 1 0 350.467 0.607 50 0 FCAARO Cn1ncc(N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)cc1=O ZINC000065313906 488317067 /nfs/dbraw/zinc/31/70/67/488317067.db2.gz RMIUJTSOIIEQHE-MRXNPFEDSA-N 1 0 361.490 0.989 50 0 FCAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccccc1-n1cncn1 ZINC000072132954 488377834 /nfs/dbraw/zinc/37/78/34/488377834.db2.gz IYIWHQQEMUIPOK-KRWDZBQOSA-N 1 0 370.457 0.730 50 0 FCAARO NS(=O)(=O)c1ccsc1C(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072135410 488377907 /nfs/dbraw/zinc/37/79/07/488377907.db2.gz SSSSVAAPTRFHKF-GFCCVEGCSA-N 1 0 373.500 0.457 50 0 FCAARO O=S(=O)(c1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1)N1CCOCC1 ZINC000072132944 488377973 /nfs/dbraw/zinc/37/79/73/488377973.db2.gz IJBHJTOJGCNBPI-KRWDZBQOSA-N 1 0 370.471 0.027 50 0 FCAARO Cn1nnnc1SCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072147406 488378299 /nfs/dbraw/zinc/37/82/99/488378299.db2.gz MSWJEXXUKJWVNU-CABCVRRESA-N 1 0 374.470 0.155 50 0 FCAARO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@](O)(CO)CC2)cc1OC ZINC000072148721 488378393 /nfs/dbraw/zinc/37/83/93/488378393.db2.gz KAGFCDAGVNOJGZ-GOSISDBHSA-N 1 0 352.431 0.529 50 0 FCAARO Nc1n[nH]c(CCC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)n1 ZINC000072152591 488378638 /nfs/dbraw/zinc/37/86/38/488378638.db2.gz GPQKDVIOEBNREQ-CVEARBPZSA-N 1 0 356.430 0.254 50 0 FCAARO O=C(NCc1ccccn1)C1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072161866 488378815 /nfs/dbraw/zinc/37/88/15/488378815.db2.gz RJAUKCUVVHHRTB-UHFFFAOYSA-N 1 0 354.458 0.910 50 0 FCAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1c[nH]c(=O)[nH]c1=O ZINC000072158301 488378865 /nfs/dbraw/zinc/37/88/65/488378865.db2.gz FEZRKFGALNPYIS-OAHLLOKOSA-N 1 0 356.426 0.890 50 0 FCAARO Cc1cccc2[nH]c(COCC(=O)N3CCO[C@@]4(C3)C[NH2+]CCOC4)nc21 ZINC000072158732 488378877 /nfs/dbraw/zinc/37/88/77/488378877.db2.gz PLWKYZAPGCTXMX-LJQANCHMSA-N 1 0 374.441 0.605 50 0 FCAARO Cc1nnnn1-c1cccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c1 ZINC000072168050 488378996 /nfs/dbraw/zinc/37/89/96/488378996.db2.gz MVBOIHMCLGDLNC-GOSISDBHSA-N 1 0 358.446 0.890 50 0 FCAARO Cc1cc(C)n2nc(CC(=O)N3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)nc2n1 ZINC000072165015 488379158 /nfs/dbraw/zinc/37/91/58/488379158.db2.gz FGBUPLXUBBEKLF-RDTXWAMCSA-N 1 0 358.446 0.247 50 0 FCAARO Cc1ncc2c(c1CNC(=O)c1sccc1S(N)(=O)=O)CC[NH2+]C2 ZINC000072409073 488379908 /nfs/dbraw/zinc/37/99/08/488379908.db2.gz VIVUXBDGULEMHC-UHFFFAOYSA-N 1 0 366.468 0.675 50 0 FCAARO COc1cccc(OC[C@H](O)CNc2nc(N)nc3c2CC[NH2+]CC3)c1 ZINC000072407483 488379926 /nfs/dbraw/zinc/37/99/26/488379926.db2.gz CYDFDJGMKFYSKV-GFCCVEGCSA-N 1 0 359.430 0.607 50 0 FCAARO CCC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)CSc1nnnn1C)C2 ZINC000072407525 488380042 /nfs/dbraw/zinc/38/00/42/488380042.db2.gz ZTLRCOAFLVJKNS-UHFFFAOYSA-N 1 0 364.479 0.383 50 0 FCAARO Cc1ncc2c(c1CNC(=O)[C@H](c1ccccc1)n1cnnn1)CC[NH2+]C2 ZINC000072448014 488381225 /nfs/dbraw/zinc/38/12/25/488381225.db2.gz ZURJSVSCJQLQNC-SFHVURJKSA-N 1 0 363.425 0.928 50 0 FCAARO Cc1ncc2c(c1CNC(=O)CSc1nnc(N)s1)CC[NH2+]C2 ZINC000072462763 488381321 /nfs/dbraw/zinc/38/13/21/488381321.db2.gz DFNZVFPMFLMGPI-UHFFFAOYSA-N 1 0 350.473 0.878 50 0 FCAARO CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC1 ZINC000072454132 488381381 /nfs/dbraw/zinc/38/13/81/488381381.db2.gz PTLKWNMLAFLTRS-INIZCTEOSA-N 1 0 360.458 0.912 50 0 FCAARO CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072454025 488381418 /nfs/dbraw/zinc/38/14/18/488381418.db2.gz LTPRTDLXVSIBMU-OAHLLOKOSA-N 1 0 364.494 0.353 50 0 FCAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3C[C@H](O)[C@@H]([NH+](C)C)C3)c12 ZINC000072473126 488381560 /nfs/dbraw/zinc/38/15/60/488381560.db2.gz ZXVSGOLZLVBDSL-KBPBESRZSA-N 1 0 353.430 0.845 50 0 FCAARO CC[N@H+](C)CC(=O)N1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072476167 488381825 /nfs/dbraw/zinc/38/18/25/488381825.db2.gz VHFJUOPUQBEDNY-OAHLLOKOSA-N 1 0 364.494 0.305 50 0 FCAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072480594 488381884 /nfs/dbraw/zinc/38/18/84/488381884.db2.gz PFUOLWAGIBFGAC-UHFFFAOYSA-N 1 0 370.453 0.704 50 0 FCAARO CC(C)OCC[NH+]1CCC(NC(=O)CCSc2nnnn2C)CC1 ZINC000075092010 488395437 /nfs/dbraw/zinc/39/54/37/488395437.db2.gz LOSWFQVNSUPWJI-UHFFFAOYSA-N 1 0 356.496 0.698 50 0 FCAARO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+]C2CCN(CCOC)CC2)CC1 ZINC000076046903 488401318 /nfs/dbraw/zinc/40/13/18/488401318.db2.gz SFVDBXYLCZYOHA-HNNXBMFYSA-N 1 0 369.506 0.877 50 0 FCAARO CCc1nccn1CCC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077343283 488411195 /nfs/dbraw/zinc/41/11/95/488411195.db2.gz JOCGSVFIBQKUMP-SFHVURJKSA-N 1 0 350.463 0.521 50 0 FCAARO O=C(CCc1cc(Cl)no1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077353302 488411362 /nfs/dbraw/zinc/41/13/62/488411362.db2.gz ROKZQQCHBVXPKT-INIZCTEOSA-N 1 0 357.838 0.946 50 0 FCAARO O=C(CCc1cc(Cl)no1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077353304 488411394 /nfs/dbraw/zinc/41/13/94/488411394.db2.gz ROKZQQCHBVXPKT-MRXNPFEDSA-N 1 0 357.838 0.946 50 0 FCAARO CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@H]3C1=O ZINC000077357620 488411747 /nfs/dbraw/zinc/41/17/47/488411747.db2.gz FLFHFBSBAGJIFF-BOSXTWCSSA-N 1 0 361.486 0.979 50 0 FCAARO O=C(c1ccc(Cn2ccnc2)o1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077380286 488412292 /nfs/dbraw/zinc/41/22/92/488412292.db2.gz CLOSOAYOJDVQOT-LJQANCHMSA-N 1 0 374.441 0.824 50 0 FCAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@H+]2CC[C@@H](O)C2)[nH]c1=O ZINC000077406515 488412419 /nfs/dbraw/zinc/41/24/19/488412419.db2.gz YMXYEMGQGNEMNC-CQSZACIVSA-N 1 0 371.393 0.600 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000077406749 488412471 /nfs/dbraw/zinc/41/24/71/488412471.db2.gz UAIVSMFNVZFDOQ-ZFWWWQNUSA-N 1 0 359.430 0.935 50 0 FCAARO [NH3+]CCn1cc(C(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)nn1 ZINC000077539176 488415372 /nfs/dbraw/zinc/41/53/72/488415372.db2.gz NBCGAWZTIADARW-UHFFFAOYSA-N 1 0 350.373 0.473 50 0 FCAARO Cn1cnnc1CCC(=O)N1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000077536028 488415488 /nfs/dbraw/zinc/41/54/88/488415488.db2.gz ZEUCCALYMBNOOU-UHFFFAOYSA-N 1 0 364.450 0.123 50 0 FCAARO O=C(c1cccc(-n2cnnc2)n1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000215044351 488439990 /nfs/dbraw/zinc/43/99/90/488439990.db2.gz YYSIRHYEMNQIOV-KRWDZBQOSA-N 1 0 367.457 0.514 50 0 FCAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC(=O)NC(=O)N3)CC2)o1 ZINC000215982826 488441338 /nfs/dbraw/zinc/44/13/38/488441338.db2.gz XDUMZIOBEHLPOB-HNNXBMFYSA-N 1 0 362.430 0.904 50 0 FCAARO CNC(=O)c1cc(S(=O)(=O)NCc2cc3n(n2)CCC[NH2+]C3)cs1 ZINC000082109227 488445353 /nfs/dbraw/zinc/44/53/53/488445353.db2.gz PTJKCEVCJMQJLX-UHFFFAOYSA-N 1 0 369.472 0.276 50 0 FCAARO CC[NH+](CC)CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000082099556 488445542 /nfs/dbraw/zinc/44/55/42/488445542.db2.gz PMRYFMMEKXCVGF-UHFFFAOYSA-N 1 0 350.467 0.728 50 0 FCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3ccnc3)CC1)C2 ZINC000222513399 488446560 /nfs/dbraw/zinc/44/65/60/488446560.db2.gz JUHUKWPMSSQDKQ-MRXNPFEDSA-N 1 0 358.446 0.497 50 0 FCAARO Cn1c(CN2CCC(c3nnc(CO)n3C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223526464 488448955 /nfs/dbraw/zinc/44/89/55/488448955.db2.gz CTVNFXIPSZWHKO-JOCQHMNTSA-N 1 0 360.466 0.020 50 0 FCAARO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)=NN1c1ccccc1 ZINC000229724816 488451818 /nfs/dbraw/zinc/45/18/18/488451818.db2.gz USRHACSAMNSOKD-XIRDDKMYSA-N 1 0 355.442 0.850 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237681638 488456795 /nfs/dbraw/zinc/45/67/95/488456795.db2.gz BFBJYOGXUJPGHW-ZDUSSCGKSA-N 1 0 365.459 0.896 50 0 FCAARO CS[C@H]1CN(c2ccc(C(=O)NC3CCOCC3)nn2)C[C@H]1[NH+](C)C ZINC000089314161 488457100 /nfs/dbraw/zinc/45/71/00/488457100.db2.gz WTYJQGVAJLPOMU-CABCVRRESA-N 1 0 365.503 0.867 50 0 FCAARO [NH3+][C@H]1C[C@@H](c2cc(NCCn3[nH]c(=O)c4ccccc4c3=O)ncn2)C1 ZINC000244795254 488461727 /nfs/dbraw/zinc/46/17/27/488461727.db2.gz RCMXTYNXWAOIGL-TXEJJXNPSA-N 1 0 352.398 0.797 50 0 FCAARO CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000244840204 488462170 /nfs/dbraw/zinc/46/21/70/488462170.db2.gz UIMONCDMQYQKHK-MRXNPFEDSA-N 1 0 355.460 0.219 50 0 FCAARO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000244858671 488462477 /nfs/dbraw/zinc/46/24/77/488462477.db2.gz VQBOXDCGMHJYLV-HOTGVXAUSA-N 1 0 358.446 0.653 50 0 FCAARO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)CC[N@@H+]1CCCN(C)CC1)CC2 ZINC000091519083 488464805 /nfs/dbraw/zinc/46/48/05/488464805.db2.gz DWNWDUHIGGEVPI-AEFFLSMTSA-N 1 0 353.507 0.793 50 0 FCAARO CC(=O)N1CC[N@H+](CCC(=O)NCc2ccc(Cl)cc2)C[C@@H](O)C1 ZINC000091755987 488469203 /nfs/dbraw/zinc/46/92/03/488469203.db2.gz SPIUOBBQWOLVMD-MRXNPFEDSA-N 1 0 353.850 0.871 50 0 FCAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)Cc3cnccn3)C2)CCC1=O ZINC000091817718 488469924 /nfs/dbraw/zinc/46/99/24/488469924.db2.gz WYGUUTIEHLSMIL-LJQANCHMSA-N 1 0 359.474 0.812 50 0 FCAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)Cc3cnccn3)C2)CCC1=O ZINC000091817716 488469973 /nfs/dbraw/zinc/46/99/73/488469973.db2.gz WYGUUTIEHLSMIL-IBGZPJMESA-N 1 0 359.474 0.812 50 0 FCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000091849216 488470704 /nfs/dbraw/zinc/47/07/04/488470704.db2.gz WNTAXNRSTQFAJA-CQSZACIVSA-N 1 0 357.414 0.593 50 0 FCAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000091892666 488471072 /nfs/dbraw/zinc/47/10/72/488471072.db2.gz XSEIRRWTHLLGSB-CABCVRRESA-N 1 0 358.435 0.705 50 0 FCAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c(=O)[nH]c1=O ZINC000091876471 488471138 /nfs/dbraw/zinc/47/11/38/488471138.db2.gz VXEZMIYXKALUMW-DZGCQCFKSA-N 1 0 369.425 0.205 50 0 FCAARO Cc1ccn(CCC(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n1 ZINC000091951935 488471738 /nfs/dbraw/zinc/47/17/38/488471738.db2.gz PPPMYIBWTKEZKR-QZTJIDSGSA-N 1 0 363.506 0.286 50 0 FCAARO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1[NH+](C)C ZINC000091943895 488471808 /nfs/dbraw/zinc/47/18/08/488471808.db2.gz VUIZAAJZWWNIQZ-JKSUJKDBSA-N 1 0 369.487 0.757 50 0 FCAARO O=S(=O)(N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1 ZINC000091933946 488471847 /nfs/dbraw/zinc/47/18/47/488471847.db2.gz SJWCVBSQYLXZRS-CVEARBPZSA-N 1 0 359.492 0.042 50 0 FCAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091907400 488471917 /nfs/dbraw/zinc/47/19/17/488471917.db2.gz QBAMMQSHNWUPPL-ZDUSSCGKSA-N 1 0 354.414 0.705 50 0 FCAARO O=C(NCc1nnc2ccccn21)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000092028801 488473135 /nfs/dbraw/zinc/47/31/35/488473135.db2.gz KNMSMHUWTSLBPH-KGLIPLIRSA-N 1 0 356.430 0.194 50 0 FCAARO CCn1ncc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1C ZINC000092037492 488473681 /nfs/dbraw/zinc/47/36/81/488473681.db2.gz MKANMCBYRHEGQJ-IAGOWNOFSA-N 1 0 363.506 0.529 50 0 FCAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC000092076929 488473798 /nfs/dbraw/zinc/47/37/98/488473798.db2.gz QGJYMVPACRVQTC-UHFFFAOYSA-N 1 0 368.445 0.902 50 0 FCAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1nnnc1C)C2 ZINC000095355651 488480999 /nfs/dbraw/zinc/48/09/99/488480999.db2.gz YQMMNQAEONSDND-LSDHHAIUSA-N 1 0 359.434 0.709 50 0 FCAARO CSCc1noc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCCC3)C2)n1 ZINC000095355659 488481024 /nfs/dbraw/zinc/48/10/24/488481024.db2.gz 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FCAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000426431445 489566777 /nfs/dbraw/zinc/56/67/77/489566777.db2.gz WHWORWTYGMHHGN-UHFFFAOYSA-N 1 0 359.423 0.319 50 0 FCAARO NC(=O)COc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000426628321 489577793 /nfs/dbraw/zinc/57/77/93/489577793.db2.gz SDTXYMRYAGUULT-UHFFFAOYSA-N 1 0 361.442 0.924 50 0 FCAARO NS(=O)(=O)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000534579723 490384014 /nfs/dbraw/zinc/38/40/14/490384014.db2.gz RWIGIFGTHYUGAM-AWEZNQCLSA-N 1 0 366.487 0.365 50 0 FCAARO CN1C(=O)COc2ccc(NC(=O)N3CCN(CC[NH+](C)C)CC3)cc21 ZINC000534639356 490391378 /nfs/dbraw/zinc/39/13/78/490391378.db2.gz USVFIDUYABSNSI-UHFFFAOYSA-N 1 0 361.446 0.753 50 0 FCAARO CC[C@@H](CNC(=O)N1CCC(c2nnc(CO)n2C)CC1)[N@H+](C)CC ZINC000534675354 490396451 /nfs/dbraw/zinc/39/64/51/490396451.db2.gz FHYOBFNXJYLIDP-AWEZNQCLSA-N 1 0 352.483 0.927 50 0 FCAARO NS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc2)s1 ZINC000534674649 490396740 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ZINC000257179448 1182938088 /nfs/dbraw/zinc/93/80/88/1182938088.db2.gz ISPINRMMTRUYDT-KRWDZBQOSA-N 1 0 374.485 0.810 50 0 FCAARO Cc1noc([C@@]23CN(C(=O)c4cccnc4)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257190088 1182948991 /nfs/dbraw/zinc/94/89/91/1182948991.db2.gz LEGAVUSPHXTFHS-LPHOPBHVSA-N 1 0 371.441 0.871 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000257193284 1182950362 /nfs/dbraw/zinc/95/03/62/1182950362.db2.gz RMIBCVZZWQVSAA-MSOLQXFVSA-N 1 0 359.470 0.710 50 0 FCAARO Cn1cccc1C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257179450 1196771886 /nfs/dbraw/zinc/77/18/86/1196771886.db2.gz ISPINRMMTRUYDT-QGZVFWFLSA-N 1 0 374.485 0.810 50 0 FCAARO O=C(C1CC[NH2+]CC1)N1CCC2(CN(c3ncccn3)C[C@H]2CO)CC1 ZINC000169789751 1196783357 /nfs/dbraw/zinc/78/33/57/1196783357.db2.gz YDXAZSUHYBOQAM-INIZCTEOSA-N 1 0 359.474 0.514 50 0 FCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C[C@H]1CO ZINC000257187468 1196785082 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O=C(CSCC[NH+]1CCCC1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299758696 210010387 /nfs/dbraw/zinc/01/03/87/210010387.db2.gz KZURDKFFCQIXPM-GJZGRUSLSA-N 1 0 351.476 0.779 50 0 FCAARO CN1CC(=O)N(c2cccc(NC(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)c2)C1=O ZINC000299755324 210009440 /nfs/dbraw/zinc/00/94/40/210009440.db2.gz HKVBEIATNCHEBM-OCCSQVGLSA-N 1 0 361.402 0.272 50 0 FCAARO COCc1nc(NCCS(=O)(=O)N2CCCC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244898891 222944061 /nfs/dbraw/zinc/94/40/61/222944061.db2.gz ZDKSFFWIRWBMBO-JOCQHMNTSA-N 1 0 369.491 0.665 50 0 FCAARO [NH3+]CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000237843503 209359364 /nfs/dbraw/zinc/35/93/64/209359364.db2.gz STJZRKRDVANJOV-OAHLLOKOSA-N 1 0 360.458 0.787 50 0 FCAARO COc1cc2[nH]c3c(ncn(CCN4CC[NH2+]CC4)c3=O)c2cc1OC ZINC000019371748 220252833 /nfs/dbraw/zinc/25/28/33/220252833.db2.gz TVGBUXZEKFGOQP-UHFFFAOYSA-N 1 0 357.414 0.800 50 0 FCAARO Cn1c(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc(=O)n(C)c1=O ZINC000032865651 211568286 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CC[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2)CC1 ZINC000013719790 211052448 /nfs/dbraw/zinc/05/24/48/211052448.db2.gz HTXSBVXBSIIKCT-HNNXBMFYSA-N 1 0 359.430 0.516 50 0 FCAARO COc1cc(OC)c(OC)cc1C[NH2+]CCNC(=O)c1nonc1N ZINC000002358683 210393466 /nfs/dbraw/zinc/39/34/66/210393466.db2.gz ROWJQFRZOYSFNZ-UHFFFAOYSA-N 1 0 351.363 0.197 50 0 FCAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCOCC1 ZINC000020059450 220310726 /nfs/dbraw/zinc/31/07/26/220310726.db2.gz VUSVSMSYXRCIAT-UHFFFAOYSA-N 1 0 360.418 0.015 50 0 FCAARO CC(C)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795925 220398010 /nfs/dbraw/zinc/39/80/10/220398010.db2.gz LOJWQCIBCMCTRH-MRXNPFEDSA-N 1 0 350.438 0.755 50 0 FCAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)CCn2c(C)cc(C)nc2=O)C1 ZINC000055228271 221062839 /nfs/dbraw/zinc/06/28/39/221062839.db2.gz OFQLKYCCANVHNX-INIZCTEOSA-N 1 0 350.463 0.725 50 0 FCAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000065387392 221209135 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O=C(CCNC(=O)c1ccccc1F)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072169105 488379383 /nfs/dbraw/zinc/37/93/83/488379383.db2.gz GSOFEPYFJLSHOP-SFHVURJKSA-N 1 0 365.405 0.163 50 0 FCAARO COCCn1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000072314075 488379598 /nfs/dbraw/zinc/37/95/98/488379598.db2.gz JABWRYCJDNTHGZ-HZPDHXFCSA-N 1 0 351.451 0.983 50 0 FCAARO O=C(c1cnc2sccn2c1=O)N1C[C@H](O)[C@@H]([NH+]2CCCCCC2)C1 ZINC000072411272 488380127 /nfs/dbraw/zinc/38/01/27/488380127.db2.gz HKESKSXYVIQPKX-KBPBESRZSA-N 1 0 362.455 0.817 50 0 FCAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)c3cccn3C)CCO2)CC1 ZINC000072421566 488380357 /nfs/dbraw/zinc/38/03/57/488380357.db2.gz DPASHLHCMWKTNY-KRWDZBQOSA-N 1 0 362.474 0.810 50 0 FCAARO Cn1ncnc1CCNC(=O)C[C@H]1COCC[N@@H+]1CCc1ccccc1 ZINC000072423829 488380364 /nfs/dbraw/zinc/38/03/64/488380364.db2.gz FVVMONJZWMIYAC-KRWDZBQOSA-N 1 0 357.458 0.807 50 0 FCAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000072425120 488380662 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NS(=O)(=O)c1cccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072472784 488381634 /nfs/dbraw/zinc/38/16/34/488381634.db2.gz GPZIENBVVOXJBG-UHFFFAOYSA-N 1 0 358.427 0.877 50 0 FCAARO CN(CCNc1nc(CC2CC2)nc2c1CC[NH2+]CC2)S(C)(=O)=O ZINC000072479411 488381859 /nfs/dbraw/zinc/38/18/59/488381859.db2.gz WZYIDRPXSQTVQD-UHFFFAOYSA-N 1 0 353.492 0.421 50 0 FCAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000074187348 488388359 /nfs/dbraw/zinc/38/83/59/488388359.db2.gz CEKXFQKSXSJUMO-QGZVFWFLSA-N 1 0 359.474 0.136 50 0 FCAARO Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-n3cnnn3)C[C@H]2[NH+](C)C)cc1 ZINC000077302729 488410203 /nfs/dbraw/zinc/41/02/03/488410203.db2.gz NOYGTMBDKDEVED-JKSUJKDBSA-N 1 0 366.429 0.864 50 0 FCAARO CC(C)c1cc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc(N)n1 ZINC000077343761 488411376 /nfs/dbraw/zinc/41/13/76/488411376.db2.gz KKYZBTFSXBOLJF-GOSISDBHSA-N 1 0 363.462 0.482 50 0 FCAARO O=C(CCn1nnc2ccccc21)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077376981 488411873 /nfs/dbraw/zinc/41/18/73/488411873.db2.gz AJGCQDQAENOXTA-IBGZPJMESA-N 1 0 373.457 0.507 50 0 FCAARO COc1ccc(-n2cc([C@H](C)NC(=O)c3cn(CC[NH3+])nn3)cn2)cc1 ZINC000077407158 488412473 /nfs/dbraw/zinc/41/24/73/488412473.db2.gz JDFGGTJXZWKSAU-LBPRGKRZSA-N 1 0 355.402 0.922 50 0 FCAARO O=C(NCCc1nc2ccccc2[nH]1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077422078 488412946 /nfs/dbraw/zinc/41/29/46/488412946.db2.gz JJHBKFSVPHZLBK-UHFFFAOYSA-N 1 0 368.445 0.032 50 0 FCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)nn1 ZINC000077438269 488413041 /nfs/dbraw/zinc/41/30/41/488413041.db2.gz AHFXBKUKMPNSHA-ZDUSSCGKSA-N 1 0 354.374 0.659 50 0 FCAARO Cc1cccc(=O)n1CCC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077554647 488415327 /nfs/dbraw/zinc/41/53/27/488415327.db2.gz AYOHHINJXKVCLI-LJQANCHMSA-N 1 0 363.458 0.233 50 0 FCAARO O=C(c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1)N1CCC[NH2+]CC1 ZINC000215312389 488439752 /nfs/dbraw/zinc/43/97/52/488439752.db2.gz ZWGBKKQXSGFMOY-HNNXBMFYSA-N 1 0 367.471 0.268 50 0 FCAARO Cc1cc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)nc(N)[nH+]1 ZINC000220081297 488444828 /nfs/dbraw/zinc/44/48/28/488444828.db2.gz ZQRPPPDIYGSOTQ-INIZCTEOSA-N 1 0 354.418 0.789 50 0 FCAARO COc1cccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1OCCN1CCOCC1 ZINC000082125779 488445366 /nfs/dbraw/zinc/44/53/66/488445366.db2.gz NEQGJJRCCQLJLD-IAGOWNOFSA-N 1 0 365.474 0.300 50 0 FCAARO C[NH+](C)CCNC(=O)CCc1cc2n(n1)CCCN(c1ncccn1)C2 ZINC000082138446 488445973 /nfs/dbraw/zinc/44/59/73/488445973.db2.gz USAAWJLYWCEIKN-UHFFFAOYSA-N 1 0 357.462 0.694 50 0 FCAARO Cc1nnnn1Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000244691541 488461462 /nfs/dbraw/zinc/46/14/62/488461462.db2.gz JEQZUFJMRAGDFU-QGZVFWFLSA-N 1 0 358.446 0.606 50 0 FCAARO Nc1ncc(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c(C(F)(F)F)n1 ZINC000244872781 488462362 /nfs/dbraw/zinc/46/23/62/488462362.db2.gz WEGPDAZDNKAHSV-JTQLQIEISA-N 1 0 361.368 0.902 50 0 FCAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000244882431 488462589 /nfs/dbraw/zinc/46/25/89/488462589.db2.gz XRNKWSQVXONXNQ-SFHVURJKSA-N 1 0 370.457 0.899 50 0 FCAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244884067 488462893 /nfs/dbraw/zinc/46/28/93/488462893.db2.gz YEPNPGSBYRYTRZ-FCEWJHQRSA-N 1 0 362.474 0.656 50 0 FCAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(OCC(N)=O)cc1)C2 ZINC000091526159 488464815 /nfs/dbraw/zinc/46/48/15/488464815.db2.gz ZLHCAUIHWCPFNR-CHWSQXEVSA-N 1 0 353.444 0.265 50 0 FCAARO CN1CCC[N@H+](C[C@H]2C[C@@H](CO)CN(C(=O)N3CCOCC3)C2)CC1 ZINC000091494267 488464943 /nfs/dbraw/zinc/46/49/43/488464943.db2.gz GTVJITRGZGLFLL-IAGOWNOFSA-N 1 0 354.495 0.007 50 0 FCAARO O=C(N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000091586145 488465901 /nfs/dbraw/zinc/46/59/01/488465901.db2.gz MUNTUIMAADRBKT-AWEZNQCLSA-N 1 0 353.444 0.236 50 0 FCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)CN2CCc3ccccc3C2)C[C@@H]1CO ZINC000091645726 488466838 /nfs/dbraw/zinc/46/68/38/488466838.db2.gz IVLZMSKVPJTUJQ-RTBURBONSA-N 1 0 361.486 0.036 50 0 FCAARO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091645725 488466980 /nfs/dbraw/zinc/46/69/80/488466980.db2.gz XWMRPTZUHWPANA-JKSUJKDBSA-N 1 0 369.425 0.055 50 0 FCAARO [NH3+][C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1c1ccccc1 ZINC000091636956 488467072 /nfs/dbraw/zinc/46/70/72/488467072.db2.gz IGPDWTNHFKCETC-KGLIPLIRSA-N 1 0 350.378 0.783 50 0 FCAARO CCc1ncc(C(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)cn1 ZINC000091693967 488467710 /nfs/dbraw/zinc/46/77/10/488467710.db2.gz ZVUPGUCOZJRGEM-LJQANCHMSA-N 1 0 362.474 0.974 50 0 FCAARO Cc1nnc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000091746981 488469080 /nfs/dbraw/zinc/46/90/80/488469080.db2.gz BIARPFZOTOOFMV-INIZCTEOSA-N 1 0 353.492 0.338 50 0 FCAARO CN(Cc1ccccc1)S(=O)(=O)N[C@H]1C[N@H+](CCO)C[C@@H]1C1CC1 ZINC000091793653 488470200 /nfs/dbraw/zinc/47/02/00/488470200.db2.gz SHJONWPTJIMXOJ-SJORKVTESA-N 1 0 353.488 0.656 50 0 FCAARO Cc1nnsc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091830805 488470833 /nfs/dbraw/zinc/47/08/33/488470833.db2.gz VXQXTFCIHKVIEJ-ZMJPVWNMSA-N 1 0 354.476 0.636 50 0 FCAARO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091845747 488470929 /nfs/dbraw/zinc/47/09/29/488470929.db2.gz PWUDJROFCXZMBX-DLBZAZTESA-N 1 0 368.437 0.660 50 0 FCAARO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1 ZINC000091893254 488471446 /nfs/dbraw/zinc/47/14/46/488471446.db2.gz UVQFMNOGGLPLMI-ZDUSSCGKSA-N 1 0 363.443 0.370 50 0 FCAARO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000092022367 488472822 /nfs/dbraw/zinc/47/28/22/488472822.db2.gz RJNDZJLESFMTLB-INIZCTEOSA-N 1 0 356.426 0.286 50 0 FCAARO COc1ccccc1CNC(=O)CN1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000092077884 488473498 /nfs/dbraw/zinc/47/34/98/488473498.db2.gz IQLICVPQRPJVGM-FQEVSTJZSA-N 1 0 374.485 0.598 50 0 FCAARO COCC1(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CCC1 ZINC000092061966 488473543 /nfs/dbraw/zinc/47/35/43/488473543.db2.gz MTVQFRPCMQBFCE-YYIAUSFCSA-N 1 0 354.491 0.979 50 0 FCAARO CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000092081399 488474248 /nfs/dbraw/zinc/47/42/48/488474248.db2.gz VUAFGMNGBLDGNV-KRWDZBQOSA-N 1 0 359.474 0.639 50 0 FCAARO Cc1cccc2nc(C[N@@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)cc(=O)n12 ZINC000092107351 488474337 /nfs/dbraw/zinc/47/43/37/488474337.db2.gz QVICIIZAIWBSNV-HXUWFJFHSA-N 1 0 370.453 0.810 50 0 FCAARO CC[NH+]1CCN(C[C@@H]2CN(c3ncccc3C(=O)NC)C[C@@H]2CO)CC1 ZINC000095354407 488480691 /nfs/dbraw/zinc/48/06/91/488480691.db2.gz BTIFFWOHPQMPQI-HZPDHXFCSA-N 1 0 361.490 0.123 50 0 FCAARO COc1c(F)cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1F ZINC000095358803 488481172 /nfs/dbraw/zinc/48/11/72/488481172.db2.gz NBMZUWZBMQCWDG-GFCCVEGCSA-N 1 0 355.385 1.000 50 0 FCAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCCn3cccn3)C2)cn1 ZINC000095367018 488481573 /nfs/dbraw/zinc/48/15/73/488481573.db2.gz ACDGWHBSRCGMCS-CVEARBPZSA-N 1 0 370.457 0.957 50 0 FCAARO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000095370952 488482439 /nfs/dbraw/zinc/48/24/39/488482439.db2.gz QCUVERYFFGSCKL-MRXNPFEDSA-N 1 0 359.478 0.572 50 0 FCAARO Cc1ccc(-n2nccc2NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000095461292 488484706 /nfs/dbraw/zinc/48/47/06/488484706.db2.gz ZUWCTLSKORKXDK-AWEZNQCLSA-N 1 0 371.445 0.900 50 0 FCAARO COc1cc(CN2CC(O)C2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095521911 488486336 /nfs/dbraw/zinc/48/63/36/488486336.db2.gz DIAFMCNSNKUJTF-KRWDZBQOSA-N 1 0 366.458 0.068 50 0 FCAARO O=C(CCC1CC[NH+](Cc2cc(=O)[nH]c(=O)[nH]2)CC1)NC[C@H]1CCCO1 ZINC000095516549 488486459 /nfs/dbraw/zinc/48/64/59/488486459.db2.gz SUUYVLRQKYOOQK-OAHLLOKOSA-N 1 0 364.446 0.351 50 0 FCAARO CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000095526435 488486909 /nfs/dbraw/zinc/48/69/09/488486909.db2.gz ZFWWKSCHQYBIIX-AWEZNQCLSA-N 1 0 367.471 0.663 50 0 FCAARO CCCOC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1 ZINC000096027460 488488455 /nfs/dbraw/zinc/48/84/55/488488455.db2.gz SYUMHZBRYXRWEW-AWEZNQCLSA-N 1 0 370.475 0.858 50 0 FCAARO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000096005494 488488686 /nfs/dbraw/zinc/48/86/86/488488686.db2.gz XJXZQLHTMVPYHE-CQSZACIVSA-N 1 0 357.520 0.991 50 0 FCAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@@H]1Cc1c[nH]cn1 ZINC000097499709 488492588 /nfs/dbraw/zinc/49/25/88/488492588.db2.gz NECMZFMGQZCRDN-HNNXBMFYSA-N 1 0 357.414 0.782 50 0 FCAARO O=CN1CCN(c2c(=O)c(=O)c2NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000100794934 488494546 /nfs/dbraw/zinc/49/45/46/488494546.db2.gz ZJZHSBOUQQQGLJ-LSDHHAIUSA-N 1 0 360.458 0.237 50 0 biogenic FCAARO Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)nnn1C1CC[NH2+]CC1 ZINC000150744318 488699524 /nfs/dbraw/zinc/69/95/24/488699524.db2.gz BKVYGEQOSWULMF-MRXNPFEDSA-N 1 0 368.441 0.563 50 0 FCAARO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158549819 488779273 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ZINC001704350513 1286232033 /nfs/dbraw/zinc/23/20/33/1286232033.db2.gz BDYRIRMVQKAANX-ZDUSSCGKSA-N 1 0 361.446 0.126 50 0 FCAARO CC(C)C[NH+]1CCC(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1 ZINC001704352075 1286232336 /nfs/dbraw/zinc/23/23/36/1286232336.db2.gz WUBCYMCJGOXDOQ-CQSZACIVSA-N 1 0 363.462 0.085 50 0 FCAARO Cc1cc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc(N2CCCC2)[nH+]1 ZINC001704359626 1286235015 /nfs/dbraw/zinc/23/50/15/1286235015.db2.gz WIBACEGVWCWZGO-UONOGXRCSA-N 1 0 369.491 0.704 50 0 FCAARO C[NH+]1CCC2(CC1)CN(C(=O)[C@H](c1ccccc1)n1cnnn1)CCO2 ZINC001772809011 1290901422 /nfs/dbraw/zinc/90/14/22/1290901422.db2.gz IYEPCRRQLODDHU-INIZCTEOSA-N 1 0 356.430 0.586 50 0 FCAARO CN(C)C(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000675011173 836093989 /nfs/dbraw/zinc/09/39/89/836093989.db2.gz PMWMSJBTLRCLES-WBVHZDCISA-N 1 0 366.487 0.396 50 0 FCAARO C[NH+]1CCN(CCOc2ccccc2CN2CCS(=O)(=O)CC2)CC1 ZINC000216299574 222663928 /nfs/dbraw/zinc/66/39/28/222663928.db2.gz MARFZCPPUPSSOQ-UHFFFAOYSA-N 1 0 367.515 0.543 50 0 FCAARO Nc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ncn1 ZINC000299787887 210029460 /nfs/dbraw/zinc/02/94/60/210029460.db2.gz YNLWCPLFBZSLQO-INIZCTEOSA-N 1 0 374.489 0.820 50 0 FCAARO CC(C)/C=C/C[N@H+]1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1 ZINC000299764019 210013363 /nfs/dbraw/zinc/01/33/63/210013363.db2.gz JBPDDZHKGREPDW-XGACYXMMSA-N 1 0 360.462 0.243 50 0 FCAARO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000237090401 222905897 /nfs/dbraw/zinc/90/58/97/222905897.db2.gz ZRISEYYFDRDTQM-LSDHHAIUSA-N 1 0 353.850 0.716 50 0 FCAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237238068 209349051 /nfs/dbraw/zinc/34/90/51/209349051.db2.gz GXXDOLGSBNYVBE-FZMZJTMJSA-N 1 0 362.348 0.892 50 0 FCAARO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCC4(CC3)OCCO4)C2)cc1 ZINC000014975552 212017509 /nfs/dbraw/zinc/01/75/09/212017509.db2.gz CXGBCJDIBGYYTD-IRXDYDNUSA-N 1 0 362.426 0.719 50 0 FCAARO C[NH+](C)CCNC(=O)CCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000015066546 220143681 /nfs/dbraw/zinc/14/36/81/220143681.db2.gz BFEQEDMPIGLITK-UHFFFAOYSA-N 1 0 368.503 0.940 50 0 FCAARO CC[NH+](CC)CCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1 ZINC000015064909 211116783 /nfs/dbraw/zinc/11/67/83/211116783.db2.gz VONLIRLDRRWXQF-UHFFFAOYSA-N 1 0 351.499 0.705 50 0 FCAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013690474 211050177 /nfs/dbraw/zinc/05/01/77/211050177.db2.gz RXYRRUFVNIKHMJ-UHFFFAOYSA-N 1 0 356.430 0.867 50 0 FCAARO C[NH+](C)CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000010111437 210863649 /nfs/dbraw/zinc/86/36/49/210863649.db2.gz QPONUVSOFBSUPX-UHFFFAOYSA-N 1 0 357.432 0.249 50 0 FCAARO C[NH+](C)CCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000006662056 210686951 /nfs/dbraw/zinc/68/69/51/210686951.db2.gz CBYOUTINYBEMRV-UHFFFAOYSA-N 1 0 352.460 0.732 50 0 FCAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000111866369 208288454 /nfs/dbraw/zinc/28/84/54/208288454.db2.gz VSUZIQYMWFTNBA-OAHLLOKOSA-N 1 0 364.446 0.858 50 0 FCAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)no1 ZINC000021156678 220353584 /nfs/dbraw/zinc/35/35/84/220353584.db2.gz NIGBEIGNIUJWAK-HNNXBMFYSA-N 1 0 374.445 0.365 50 0 FCAARO Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364305 221203577 /nfs/dbraw/zinc/20/35/77/221203577.db2.gz SBCMDGMVFJMTKM-UHFFFAOYSA-N 1 0 368.507 0.704 50 0 FCAARO CCn1c([C@@H]2CCCN(C(=O)C(C)(C)OC)C2)nn(CC[NH+](C)C)c1=O ZINC000067643176 221265352 /nfs/dbraw/zinc/26/53/52/221265352.db2.gz VBEHXBUUFZPSEF-CQSZACIVSA-N 1 0 367.494 0.757 50 0 FCAARO COc1ccc2ncc(C(=O)N[C@H]3C[C@H]4C[N@H+](C)CCN4C3)c(O)c2c1 ZINC000067649068 221265650 /nfs/dbraw/zinc/26/56/50/221265650.db2.gz IDVUIRLRAZFBJK-STQMWFEESA-N 1 0 356.426 0.655 50 0 FCAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)C(=O)Nc1cccc(F)c1)CC2 ZINC000067490484 221256843 /nfs/dbraw/zinc/25/68/43/221256843.db2.gz SESDGHOLYUKRFC-UHFFFAOYSA-N 1 0 362.405 0.577 50 0 FCAARO [NH3+][C@H]1CN[C@H](C(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1 ZINC000067491060 221257012 /nfs/dbraw/zinc/25/70/12/221257012.db2.gz LCERPKYUEZUPTN-KGLIPLIRSA-N 1 0 358.471 0.543 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000067561275 221258910 /nfs/dbraw/zinc/25/89/10/221258910.db2.gz SVPYSHFZGHJNHQ-KOFHJDLBSA-N 1 0 371.503 0.249 50 0 FCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000067724562 221275951 /nfs/dbraw/zinc/27/59/51/221275951.db2.gz INGAXIDQWGWXBD-FSPLSTOPSA-N 1 0 358.272 0.891 50 0 FCAARO COC(=O)c1noc(C)c1CN1C(=O)N[C@@](C)(C2CC[NH2+]CC2)C1=O ZINC000067714733 221276262 /nfs/dbraw/zinc/27/62/62/221276262.db2.gz DTYCTHQZARAQLT-INIZCTEOSA-N 1 0 350.375 0.580 50 0 FCAARO O=C(NCCc1nnc2n1CC[NH2+]CC2)c1cccc(-c2cn[nH]c2)c1 ZINC000067726108 221277564 /nfs/dbraw/zinc/27/75/64/221277564.db2.gz LPCMDIATVJGFFH-UHFFFAOYSA-N 1 0 351.414 0.786 50 0 FCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC000067675079 221269077 /nfs/dbraw/zinc/26/90/77/221269077.db2.gz CTLQESOYTDSKCC-ULQDDVLXSA-N 1 0 358.486 0.886 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCN(c2cccc(C)c2)CC1 ZINC000067714052 221274682 /nfs/dbraw/zinc/27/46/82/221274682.db2.gz OECBAXMEXQTPJD-AEFFLSMTSA-N 1 0 373.501 0.181 50 0 FCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2cnn3cccnc23)CC1 ZINC000067713293 221274927 /nfs/dbraw/zinc/27/49/27/221274927.db2.gz YOPXMQDUEALLMB-UHFFFAOYSA-N 1 0 351.414 0.806 50 0 FCAARO CCS(=O)(=O)N1CCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)CC1 ZINC000067713568 221274949 /nfs/dbraw/zinc/27/49/49/221274949.db2.gz JXBYBDLJUYWQKX-UHFFFAOYSA-N 1 0 353.492 0.724 50 0 FCAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)cc2c1 ZINC000067805800 221287932 /nfs/dbraw/zinc/28/79/32/221287932.db2.gz PJPZPINFNKIBDB-OALUTQOASA-N 1 0 373.453 0.804 50 0 FCAARO CN1CC[NH+](Cc2ccc(-c3cn([C@@H]4C[NH2+][C@H](C(=O)[O-])C4)nn3)cc2)CC1 ZINC000067757922 221282496 /nfs/dbraw/zinc/28/24/96/221282496.db2.gz SHUUQCQOPHFFSH-IRXDYDNUSA-N 1 0 370.457 0.680 50 0 FCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000067803658 221286819 /nfs/dbraw/zinc/28/68/19/221286819.db2.gz RRJIPOQPFVIHGV-PWSUYJOCSA-N 1 0 366.468 0.646 50 0 FCAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(Oc3cccnc3)CC2)C1=O ZINC000067841064 221292448 /nfs/dbraw/zinc/29/24/48/221292448.db2.gz BNGKMZGTTONBAW-LJQANCHMSA-N 1 0 363.458 0.925 50 0 FCAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000067850637 221295032 /nfs/dbraw/zinc/29/50/32/221295032.db2.gz MOXAZGGKEGHJKR-ZDUSSCGKSA-N 1 0 353.492 0.770 50 0 FCAARO CCn1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067856684 221296143 /nfs/dbraw/zinc/29/61/43/221296143.db2.gz UDCILKMTYZCUAE-CQSZACIVSA-N 1 0 364.471 0.984 50 0 FCAARO NC(=O)c1cnc2n1CCN(C(=O)C[N@@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC000067872267 221298619 /nfs/dbraw/zinc/29/86/19/221298619.db2.gz LNOAYBCVXTVZTA-HNNXBMFYSA-N 1 0 353.426 0.814 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCc2ccccc21 ZINC000067909299 221303606 /nfs/dbraw/zinc/30/36/06/221303606.db2.gz BUIMEDBQLZCLQY-HOCLYGCPSA-N 1 0 358.442 0.372 50 0 FCAARO Cc1ccnc(NC(=O)CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1 ZINC000067974251 221310122 /nfs/dbraw/zinc/31/01/22/221310122.db2.gz DYUYIGWMIBFAII-KBPBESRZSA-N 1 0 361.446 0.562 50 0 FCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000071614526 221352966 /nfs/dbraw/zinc/35/29/66/221352966.db2.gz LQMIAUWEUSPNQV-AWEZNQCLSA-N 1 0 363.462 0.489 50 0 FCAARO CC(C)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC1CC1 ZINC000071748629 221361107 /nfs/dbraw/zinc/36/11/07/221361107.db2.gz KGJIQOSJCXSCCE-INIZCTEOSA-N 1 0 362.474 0.896 50 0 FCAARO CN(CCC[NH+](C)C)C(=O)C[C@@H]1COCCN1C(=O)C(=O)c1ccco1 ZINC000072431526 221524201 /nfs/dbraw/zinc/52/42/01/221524201.db2.gz NJFQYLBFXLJJOE-CQSZACIVSA-N 1 0 365.430 0.490 50 0 FCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(OC(C)C)nc(N)n3)CC[C@H]21 ZINC000077394501 132183384 /nfs/dbraw/zinc/18/33/84/132183384.db2.gz JSPPLQFWVYOVOF-UONOGXRCSA-N 1 0 362.478 0.883 50 0 FCAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)C(=O)C2)C1 ZINC000082138766 132197143 /nfs/dbraw/zinc/19/71/43/132197143.db2.gz VVUWYWSLTYVBHE-OAHLLOKOSA-N 1 0 361.442 0.839 50 0 FCAARO [NH3+][C@H]1CN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@@H]1c1ccccc1 ZINC000091551768 132202037 /nfs/dbraw/zinc/20/20/37/132202037.db2.gz OSTCECCVMQSJDV-SJORKVTESA-N 1 0 353.426 0.880 50 0 FCAARO C[N@@H+]1CCN(c2ncnc3c2CCC3)C[C@]12CCC(=O)N(CCO)CC2 ZINC000107675129 132241796 /nfs/dbraw/zinc/24/17/96/132241796.db2.gz CDBDFBHULWFBQV-LJQANCHMSA-N 1 0 359.474 0.461 50 0 FCAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000219861089 132275137 /nfs/dbraw/zinc/27/51/37/132275137.db2.gz QYSNHFFQAJWBHD-UHFFFAOYSA-N 1 0 359.478 0.008 50 0 FCAARO NC(=O)CN1CCN(c2nc(-c3ccco3)nc3c2CC[NH2+]CC3)CC1 ZINC000072422575 136146039 /nfs/dbraw/zinc/14/60/39/136146039.db2.gz RZCMNNSXBJVVSB-UHFFFAOYSA-N 1 0 356.430 0.032 50 0 FCAARO O=C(C1CCS(=O)(=O)CC1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091663355 221779136 /nfs/dbraw/zinc/77/91/36/221779136.db2.gz RLMWLIDGNQVNSH-CABCVRRESA-N 1 0 358.504 0.364 50 0 FCAARO COc1ccc2c(c1)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)CC(=O)N2 ZINC000091907320 221812690 /nfs/dbraw/zinc/81/26/90/221812690.db2.gz XIOJGNMRXXRIOT-INIZCTEOSA-N 1 0 360.458 0.875 50 0 FCAARO CC(C)Cc1noc(CN(C)C(=O)CN2CC3(CC[NH2+]CC3)OC2=O)n1 ZINC000095528126 221955449 /nfs/dbraw/zinc/95/54/49/221955449.db2.gz KDZBMUMVIIPUAB-UHFFFAOYSA-N 1 0 365.434 0.801 50 0 FCAARO COCCN(C(=O)c1cc(S(N)(=O)=O)ccc1F)C1CC[NH+](C)CC1 ZINC000097475120 222182997 /nfs/dbraw/zinc/18/29/97/222182997.db2.gz PYLQLVFJNWSCGL-UHFFFAOYSA-N 1 0 373.450 0.656 50 0 FCAARO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1F)[NH+]1CCN(C)CC1 ZINC000097514270 222187404 /nfs/dbraw/zinc/18/74/04/222187404.db2.gz UJAXTJNDFKDWCE-LBPRGKRZSA-N 1 0 372.466 0.229 50 0 FCAARO CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000097717218 222207633 /nfs/dbraw/zinc/20/76/33/222207633.db2.gz DTFRJOYTVOBFTF-GWCFXTLKSA-N 1 0 359.427 0.726 50 0 FCAARO CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000101529566 222277758 /nfs/dbraw/zinc/27/77/58/222277758.db2.gz CUXXHYISCUDUEV-UONOGXRCSA-N 1 0 363.458 0.958 50 0 aggregator FCAARO Cn1ncc(N2CC[C@@H](CNC(=O)CC3=CSC4=NCCN34)C2)cc1=O ZINC000102408641 222296743 /nfs/dbraw/zinc/29/67/43/222296743.db2.gz PVJWKMZDTVLJRA-LBPRGKRZSA-N 1 0 374.470 0.373 50 0 FCAARO O=C([O-])[C@@]12CN(Cc3cc(=O)n4nc[n-]c4n3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000102679260 222303523 /nfs/dbraw/zinc/30/35/23/222303523.db2.gz FSJSCWIYUBKHQQ-KZULUSFZSA-N 1 0 372.429 0.179 50 0 FCAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@H]1C[NH3+] ZINC000299739154 488871465 /nfs/dbraw/zinc/87/14/65/488871465.db2.gz LEZZQYCARQGKJS-MFKMUULPSA-N 1 0 364.464 0.977 50 0 FCAARO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000003211781 487470612 /nfs/dbraw/zinc/47/06/12/487470612.db2.gz 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COc1cccc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1OC ZINC001529171828 1267038763 /nfs/dbraw/zinc/03/87/63/1267038763.db2.gz DNLHXGYQGPNWRW-KBPBESRZSA-N 1 0 358.460 0.388 50 0 FCAARO Cc1ccn2c(nnc2NC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n1 ZINC001529196124 1267042472 /nfs/dbraw/zinc/04/24/72/1267042472.db2.gz VHTFUVGBJBOJJN-LBPRGKRZSA-N 1 0 355.406 0.809 50 0 FCAARO CN1CCN(C(=O)c2ccnc(N3CCOC4(CC[NH+](C)CC4)C3)c2)CC1 ZINC001772807330 1290901611 /nfs/dbraw/zinc/90/16/11/1290901611.db2.gz MTAMBFJQUAHVRL-UHFFFAOYSA-N 1 0 373.501 0.770 50 0 FCAARO Cc1cc(N2CCCN(C(=O)c3cc4ncccn4n3)CC2)nc(N)[nH+]1 ZINC001772806903 1290901850 /nfs/dbraw/zinc/90/18/50/1290901850.db2.gz GWOZOWZIPROBNB-UHFFFAOYSA-N 1 0 352.402 0.762 50 0 FCAARO CS(=O)(=O)CC[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067872537 835994889 /nfs/dbraw/zinc/99/48/89/835994889.db2.gz XXBRJOBIXOPMDH-QGZVFWFLSA-N 1 0 360.520 0.945 50 0 FCAARO O=C(CN1CCOCC1)N1C[C@@H]2C[N@@H+](C3CCCC3)CC[C@]2(CO)C1 ZINC000409419538 836071303 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CN1CC[NH+](CC2(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000952867868 836573403 /nfs/dbraw/zinc/57/34/03/836573403.db2.gz UKFNQYPYSGDZOW-OAHLLOKOSA-N 1 0 350.507 0.777 50 0 FCAARO CCOC(=O)c1nocc1[C@H]1C(C(=O)OCC)[N+](=O)O[C@@H]1C(=O)OCC ZINC000000716891 210266406 /nfs/dbraw/zinc/26/64/06/210266406.db2.gz ITVMJKRFCGSZCB-CABZTGNLSA-N 1 0 370.314 0.326 50 0 FCAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000132453377 210070098 /nfs/dbraw/zinc/07/00/98/210070098.db2.gz BWNAPSPJWRUILB-VIFPVBQESA-N 1 0 362.249 0.578 50 0 FCAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1 ZINC000299801173 210039872 /nfs/dbraw/zinc/03/98/72/210039872.db2.gz VIGWDWKNVGGLKA-ZDUSSCGKSA-N 1 0 369.491 0.485 50 0 FCAARO Cn1cc(NC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)nn1 ZINC000299783231 210026260 /nfs/dbraw/zinc/02/62/60/210026260.db2.gz YWJFGXUFCCZVKE-LTCLLZNKSA-N 1 0 367.457 0.504 50 0 FCAARO Cn1nc(C(N)=O)c2c1CC[N@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299776587 210021943 /nfs/dbraw/zinc/02/19/43/210021943.db2.gz DIEUNYFIGMVSNL-CYBMUJFWSA-N 1 0 353.426 0.930 50 0 FCAARO Cc1nnnn1-c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000299755435 210008353 /nfs/dbraw/zinc/00/83/53/210008353.db2.gz CWUCSZOHGDAERR-INIZCTEOSA-N 1 0 359.434 0.939 50 0 FCAARO O=C(NC[C@@H](O)c1c(F)cccc1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238119506 222915266 /nfs/dbraw/zinc/91/52/66/222915266.db2.gz APXIVIKUEUIZSR-CQSZACIVSA-N 1 0 351.357 0.944 50 0 FCAARO CC1(C)CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000236911459 209344928 /nfs/dbraw/zinc/34/49/28/209344928.db2.gz ZFYNETWHPQCJAZ-INIZCTEOSA-N 1 0 367.515 0.871 50 0 FCAARO CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCC[NH+](C)C)s2)CC1 ZINC000064836318 212045410 /nfs/dbraw/zinc/04/54/10/212045410.db2.gz BWCNDMJEHDDTEA-UHFFFAOYSA-N 1 0 364.475 0.679 50 0 FCAARO O=C(NCC[NH+]1CCCC1)c1cc(=O)nc2sc(N3CCCC3)nn21 ZINC000064837020 212044931 /nfs/dbraw/zinc/04/49/31/212044931.db2.gz XQBUKYPRHLHAAV-UHFFFAOYSA-N 1 0 362.459 0.577 50 0 FCAARO NS(=O)(=O)c1ccc(CNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063844800 212034377 /nfs/dbraw/zinc/03/43/77/212034377.db2.gz ATQFYDDAMITBQD-IAGOWNOFSA-N 1 0 353.488 0.803 50 0 FCAARO Cc1cc(C(=O)NCCC[NH+]2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000035505619 211638615 /nfs/dbraw/zinc/63/86/15/211638615.db2.gz LFRQMHFTZPEEAM-UHFFFAOYSA-N 1 0 359.430 0.156 50 0 FCAARO CC(C)CCn1c(CN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022923881 211370922 /nfs/dbraw/zinc/37/09/22/211370922.db2.gz AYYAPNNTKQSTTL-UHFFFAOYSA-N 1 0 362.478 0.227 50 0 FCAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+]CCN(C)C ZINC000022030070 211335551 /nfs/dbraw/zinc/33/55/51/211335551.db2.gz USMDJPACFRQYCB-UHFFFAOYSA-N 1 0 370.475 0.683 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000020566913 211287082 /nfs/dbraw/zinc/28/70/82/211287082.db2.gz VPIWAWDBIRRSNV-XTDOFWJNSA-N 1 0 357.410 0.709 50 0 FCAARO COc1cccc(OCCOC[C@@H](O)C[NH+]2CCN(CCO)CC2)c1 ZINC000019365050 211219556 /nfs/dbraw/zinc/21/95/56/211219556.db2.gz DHWOHYYFUMSVHO-INIZCTEOSA-N 1 0 354.447 0.061 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2cc(C)cc(C)c2NC1=O ZINC000016024559 211153787 /nfs/dbraw/zinc/15/37/87/211153787.db2.gz RZAJZQDWKRVDQO-IPJQRFBASA-N 1 0 357.410 0.690 50 0 FCAARO C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4ccccc4F)c3)CN2C1=O ZINC000014745990 211100645 /nfs/dbraw/zinc/10/06/45/211100645.db2.gz DKNWJKRBZBZMCK-FFSVYQOJSA-N 1 0 357.389 0.589 50 0 FCAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+](C)C ZINC000013612895 211042504 /nfs/dbraw/zinc/04/25/04/211042504.db2.gz CNXJHLLQRXCGBQ-UHFFFAOYSA-N 1 0 355.460 0.307 50 0 FCAARO Cc1cn2c3c(nc2n1CC[NH+]1CCC(C)CC1)n(C)c(=O)n(C)c3=O ZINC000010233866 210344365 /nfs/dbraw/zinc/34/43/65/210344365.db2.gz ZOMOQQTUBLSLPI-UHFFFAOYSA-N 1 0 358.446 0.727 50 0 FCAARO CCn1c(=O)c2c(nc3n2cc(C)n3CCC[NH+]2CCOCC2)n(C)c1=O ZINC000020683677 220339228 /nfs/dbraw/zinc/33/92/28/220339228.db2.gz BLXLOFZUIHDBFM-UHFFFAOYSA-N 1 0 374.445 0.200 50 0 FCAARO CC(C)CNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766357 220397048 /nfs/dbraw/zinc/39/70/48/220397048.db2.gz AYELCKQKIJVENP-HNNXBMFYSA-N 1 0 352.504 0.925 50 0 FCAARO Cc1nn2cc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)nc2s1 ZINC000065395212 221209579 /nfs/dbraw/zinc/20/95/79/221209579.db2.gz DIUOTPVWDUHICF-NSHDSACASA-N 1 0 350.448 0.126 50 0 FCAARO CCOC(=O)N1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000065403424 221212048 /nfs/dbraw/zinc/21/20/48/221212048.db2.gz STBJLCMGFHAEPR-CYBMUJFWSA-N 1 0 364.450 0.628 50 0 FCAARO O=C(C[NH+]1CCCCCCC1)N1CCn2nc(C(=O)NCCO)cc2C1 ZINC000065407194 221214812 /nfs/dbraw/zinc/21/48/12/221214812.db2.gz UQDZYAPXSLCICI-UHFFFAOYSA-N 1 0 363.462 0.214 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CN(C)Cc1ccccc1F ZINC000067473254 221256336 /nfs/dbraw/zinc/25/63/36/221256336.db2.gz RBHBXGFBSBOKKU-HOCLYGCPSA-N 1 0 350.438 0.710 50 0 FCAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CCS(C)(=O)=O)C2=O)c1 ZINC000067447384 221253652 /nfs/dbraw/zinc/25/36/52/221253652.db2.gz UYXXHGMZYQAOMP-QGZVFWFLSA-N 1 0 370.471 0.183 50 0 FCAARO O=C1COc2ccc(S(=O)(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2N1 ZINC000067433033 221254766 /nfs/dbraw/zinc/25/47/66/221254766.db2.gz NWNPYJNITJGPOX-MRXNPFEDSA-N 1 0 351.428 0.782 50 0 FCAARO C[C@@H](O)C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000067489610 221257455 /nfs/dbraw/zinc/25/74/55/221257455.db2.gz JOWPOWZOQRHJAQ-OAHLLOKOSA-N 1 0 374.485 0.782 50 0 FCAARO CC(CO)(CO)[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000067740907 221279272 /nfs/dbraw/zinc/27/92/72/221279272.db2.gz QGSHTCAWJSGOBX-QGZVFWFLSA-N 1 0 358.385 0.151 50 0 FCAARO COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC[NH2+]CC3)C2=O)c1 ZINC000067805336 221288431 /nfs/dbraw/zinc/28/84/31/221288431.db2.gz ORRMALYBBOPPJD-LJQANCHMSA-N 1 0 365.449 0.983 50 0 FCAARO CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)Nc3ccccc3)nn2)C[NH2+]1 ZINC000067740482 221279300 /nfs/dbraw/zinc/27/93/00/221279300.db2.gz WHHKDMXZBQTSCP-KBPBESRZSA-N 1 0 371.445 0.984 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCOc2ccccc2C1 ZINC000067789277 221285463 /nfs/dbraw/zinc/28/54/63/221285463.db2.gz GSJUUBZDIITYJM-SJORKVTESA-N 1 0 374.485 0.678 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(-c2cccnc2)nc1C ZINC000067833458 221291511 /nfs/dbraw/zinc/29/15/11/221291511.db2.gz RTXYFKLELXVVRP-HIFRSBDPSA-N 1 0 354.414 0.525 50 0 FCAARO COCCN1CCC[C@](O)(C[NH+]2CCC(Oc3cccnc3)CC2)C1=O ZINC000067841063 221292766 /nfs/dbraw/zinc/29/27/66/221292766.db2.gz BNGKMZGTTONBAW-IBGZPJMESA-N 1 0 363.458 0.925 50 0 FCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c2nsnc2ccc1C ZINC000067855412 221294859 /nfs/dbraw/zinc/29/48/59/221294859.db2.gz ITMLYAKVDFZBNW-ONGXEEELSA-N 1 0 369.472 0.226 50 0 FCAARO CCn1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)nc1[C@H]1CCC[NH2+]C1 ZINC000067856686 221296959 /nfs/dbraw/zinc/29/69/59/221296959.db2.gz UDCILKMTYZCUAE-AWEZNQCLSA-N 1 0 364.471 0.984 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2ccccc2n(C)c1=O ZINC000067871490 221298257 /nfs/dbraw/zinc/29/82/57/221298257.db2.gz GULBLYQMIOLVIZ-YOEHRIQHSA-N 1 0 370.453 0.949 50 0 FCAARO COc1cc2[nH]c(=O)c(C[N@H+](C)[C@H]3COC[C@@H]3O)cc2c(OC)c1OC ZINC000067885425 221301354 /nfs/dbraw/zinc/30/13/54/221301354.db2.gz WTFKQNNIXRCMJM-KBPBESRZSA-N 1 0 364.398 0.745 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)N[C@H](C)C(C)C)nn2)C[NH2+]1 ZINC000067975079 221312094 /nfs/dbraw/zinc/31/20/94/221312094.db2.gz OOJDOPRHCZAZGN-YUELXQCFSA-N 1 0 365.482 0.549 50 0 FCAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CCS(C)(=O)=O)C2=O)c1 ZINC000067954398 221307792 /nfs/dbraw/zinc/30/77/92/221307792.db2.gz AHHKPHJLOIDKBN-KRWDZBQOSA-N 1 0 354.472 0.483 50 0 FCAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C(CO)CO)C2=O)cc1 ZINC000067954928 221307841 /nfs/dbraw/zinc/30/78/41/221307841.db2.gz AWGSVONOIJGNRV-LJQANCHMSA-N 1 0 350.459 0.606 50 0 FCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(C(=O)CC(C)C)CC1 ZINC000067947311 221308392 /nfs/dbraw/zinc/30/83/92/221308392.db2.gz GOTHMHDQTOCINH-CABCVRRESA-N 1 0 352.479 0.335 50 0 FCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H]([NH3+])[C@@H](C)O ZINC000071764383 221370781 /nfs/dbraw/zinc/37/07/81/221370781.db2.gz BYBILGFXDBXXMK-BMIGLBTASA-N 1 0 362.430 0.313 50 0 FCAARO CC(C)[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)CCC(=O)N1CC1CC1 ZINC000071764351 221371349 /nfs/dbraw/zinc/37/13/49/221371349.db2.gz NVVRTBUEDDXHBB-INIZCTEOSA-N 1 0 362.478 0.736 50 0 FCAARO COc1ccc([C@H]([NH3+])CC(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc1OC ZINC000072422587 221511723 /nfs/dbraw/zinc/51/17/23/221511723.db2.gz NXHHVQLEIBFOGX-DGADGQDISA-N 1 0 364.442 0.684 50 0 FCAARO O=c1cc(N2CCN(C[C@@]3(O)CC[NH2+]C3)CC2)c(-c2ccccc2)n[nH]1 ZINC000077422159 132184882 /nfs/dbraw/zinc/18/48/82/132184882.db2.gz BGICCGYYWUWGEM-LJQANCHMSA-N 1 0 355.442 0.283 50 0 FCAARO Cc1cc(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)n2ncnc2n1 ZINC000095971700 132216454 /nfs/dbraw/zinc/21/64/54/132216454.db2.gz OKBUAPRGXZATLS-UHFFFAOYSA-N 1 0 351.414 0.854 50 0 FCAARO 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FCAARO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091326027 221752878 /nfs/dbraw/zinc/75/28/78/221752878.db2.gz YUFMYPQTYGOQSP-WMLDXEAASA-N 1 0 352.442 0.763 50 0 FCAARO CCSCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000092099592 221839644 /nfs/dbraw/zinc/83/96/44/221839644.db2.gz NYPXRVHGHLGBCJ-ZDUSSCGKSA-N 1 0 357.501 0.810 50 0 FCAARO CN(CC(=O)NCCN1CCOCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096841087 222133756 /nfs/dbraw/zinc/13/37/56/222133756.db2.gz LHGGIQHFTLVFFD-AUWJEWJLSA-N 1 0 367.471 0.367 50 0 FCAARO O=C(CCc1nc2ccccc2[nH]c1=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000097655495 222202513 /nfs/dbraw/zinc/20/25/13/222202513.db2.gz ARCQYNPFBXXUJG-CQSZACIVSA-N 1 0 358.442 0.819 50 0 FCAARO O=C([C@H]1CCCCn2nnnc21)N1CCC([NH+]2CCSCC2)CC1 ZINC000097766608 222211469 /nfs/dbraw/zinc/21/14/69/222211469.db2.gz ZSKUOQQXCZUISM-AWEZNQCLSA-N 1 0 350.492 0.980 50 0 FCAARO COc1cccc([C@H]2CN(C(=O)c3c[nH]c4cc(C)nn4c3=O)C[C@@H]2[NH3+])c1 ZINC000102498377 222297706 /nfs/dbraw/zinc/29/77/06/222297706.db2.gz VXLSVPPBCPFFBY-CVEARBPZSA-N 1 0 367.409 0.907 50 0 FCAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c3ncnn3c1=O)C2 ZINC000102806683 222308942 /nfs/dbraw/zinc/30/89/42/222308942.db2.gz ULSZZXASTAVWTO-ZIAGYGMSSA-N 1 0 356.430 0.920 50 0 FCAARO CN1CCN(C(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)CC12CC[NH+](C)CC2 ZINC000106727524 222388759 /nfs/dbraw/zinc/38/87/59/222388759.db2.gz LLNFKKKMXMIRTO-QZTJIDSGSA-N 1 0 370.497 0.755 50 0 FCAARO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000003211783 487470597 /nfs/dbraw/zinc/47/05/97/487470597.db2.gz FYJTUOKFKFJZER-HNNXBMFYSA-N 1 0 370.471 0.543 50 0 FCAARO Cn1c2nc(N3CC[NH2+]CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004019652 487473402 /nfs/dbraw/zinc/47/34/02/487473402.db2.gz URWZRCBFOLIMBX-UHFFFAOYSA-N 1 0 368.441 0.466 50 0 FCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007425496 487505876 /nfs/dbraw/zinc/50/58/76/487505876.db2.gz HLXHMZOXIQBKIK-RYUDHWBXSA-N 1 0 358.446 0.962 50 0 FCAARO O=C(CNC(=O)c1ccc(F)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008914517 487522636 /nfs/dbraw/zinc/52/26/36/487522636.db2.gz KUPSNRJJGKQLGM-UHFFFAOYSA-N 1 0 371.416 0.942 50 0 FCAARO CCN1c2ccc(Cl)cc2[C@@H](NC(=O)C(=O)NCCC[NH+](C)C)C1=O ZINC000009304560 487525677 /nfs/dbraw/zinc/52/56/77/487525677.db2.gz UYRVRQFUYCSSNQ-CQSZACIVSA-N 1 0 366.849 0.932 50 0 FCAARO CC[NH+](CC)CCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1 ZINC000009747498 487528374 /nfs/dbraw/zinc/52/83/74/487528374.db2.gz LPFLLELTYRZQIH-UHFFFAOYSA-N 1 0 354.480 0.559 50 0 FCAARO CN(C)S(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000010450146 487534880 /nfs/dbraw/zinc/53/48/80/487534880.db2.gz SRGXIBSSQRSCFI-UHFFFAOYSA-N 1 0 368.503 0.902 50 0 FCAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CCCN1CCOCC1 ZINC000012758826 487557327 /nfs/dbraw/zinc/55/73/27/487557327.db2.gz GUJZEELLKNNWFX-KRWDZBQOSA-N 1 0 368.522 0.404 50 0 FCAARO O=C(CCn1cnnn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015077211 487577015 /nfs/dbraw/zinc/57/70/15/487577015.db2.gz VGBVUVZMUUQVMD-SFHVURJKSA-N 1 0 369.473 0.876 50 0 FCAARO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000034928802 487796041 /nfs/dbraw/zinc/79/60/41/487796041.db2.gz BWFUCCVTQQXJDE-UHFFFAOYSA-N 1 0 370.475 0.514 50 0 FCAARO Cc1ccccc1C(=O)c1c(Cn2ccc(=[NH2+])cc2)n(C)c(=O)n(C)c1=O ZINC000036356981 487799847 /nfs/dbraw/zinc/79/98/47/487799847.db2.gz GUUSNARSWNOZEU-UHFFFAOYSA-N 1 0 364.405 0.953 50 0 FCAARO Cn1c(Cn2ccc(=[NH2+])cc2)c(C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000036357852 487801844 /nfs/dbraw/zinc/80/18/44/487801844.db2.gz DEDXNVMQZZTGDE-UHFFFAOYSA-N 1 0 368.368 0.783 50 0 FCAARO Cn1cccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000038674677 487808600 /nfs/dbraw/zinc/80/86/00/487808600.db2.gz XLLTYFQAKNCSSS-HNNXBMFYSA-N 1 0 356.492 0.416 50 0 FCAARO CC(C)C[NH+]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000040049522 487810987 /nfs/dbraw/zinc/81/09/87/487810987.db2.gz CBDMOOUVOJMSDP-UHFFFAOYSA-N 1 0 359.430 0.046 50 0 FCAARO CS(=O)(=O)N[C@H]1CCC[N@H+](CCCc2nnnn2-c2ccccc2)C1 ZINC000048310047 488068130 /nfs/dbraw/zinc/06/81/30/488068130.db2.gz JLPSAKVDPSPPSY-AWEZNQCLSA-N 1 0 364.475 0.609 50 0 FCAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000049762618 488101207 /nfs/dbraw/zinc/10/12/07/488101207.db2.gz AXZXJYAYKLHFNT-CVEARBPZSA-N 1 0 374.441 0.649 50 0 FCAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000049762624 488101469 /nfs/dbraw/zinc/10/14/69/488101469.db2.gz AXZXJYAYKLHFNT-HZPDHXFCSA-N 1 0 374.441 0.649 50 0 FCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000055254410 488239956 /nfs/dbraw/zinc/23/99/56/488239956.db2.gz NDYOALNNERFGBY-KRWDZBQOSA-N 1 0 355.442 0.745 50 0 FCAARO C[C@@H]1CCC[C@@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)([NH+](C)C)C1 ZINC000056986413 488263500 /nfs/dbraw/zinc/26/35/00/488263500.db2.gz KIYFQCXUGLLAHT-CXAGYDPISA-N 1 0 350.467 0.607 50 0 FCAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000058185633 488280374 /nfs/dbraw/zinc/28/03/74/488280374.db2.gz MFNNFTQNWPQOFD-UHFFFAOYSA-N 1 0 368.441 0.898 50 0 FCAARO [NH3+]CCN1CCCn2nc(CN3CCC(Oc4ncccn4)CC3)cc2C1 ZINC000072131930 488377864 /nfs/dbraw/zinc/37/78/64/488377864.db2.gz YAKSKAOZNQQTKM-UHFFFAOYSA-N 1 0 371.489 0.881 50 0 FCAARO NS(=O)(=O)c1ccsc1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072135409 488377909 /nfs/dbraw/zinc/37/79/09/488377909.db2.gz SSSSVAAPTRFHKF-LBPRGKRZSA-N 1 0 373.500 0.457 50 0 FCAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000072145816 488377999 /nfs/dbraw/zinc/37/79/99/488377999.db2.gz UCMMNBMXKOUMDM-GJZGRUSLSA-N 1 0 374.489 0.933 50 0 FCAARO COc1ccccc1CNC(=O)C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072146094 488378187 /nfs/dbraw/zinc/37/81/87/488378187.db2.gz ALUMARRHGLOXJS-HNNXBMFYSA-N 1 0 361.442 0.840 50 0 FCAARO Cc1nc2ccccc2n1CCC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072153955 488378563 /nfs/dbraw/zinc/37/85/63/488378563.db2.gz CDNPNAJCIYOEMD-IBGZPJMESA-N 1 0 358.442 0.952 50 0 FCAARO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cnc2cc(=O)[nH]n21 ZINC000072151863 488378646 /nfs/dbraw/zinc/37/86/46/488378646.db2.gz APBVZZSWQKFQKG-OAHLLOKOSA-N 1 0 373.457 0.640 50 0 FCAARO COc1ccc2[nH]c(=O)c(C[N@@H+]3CCN[C@@H](C(=O)N4CCCC4)C3)cc2c1 ZINC000072168019 488379126 /nfs/dbraw/zinc/37/91/26/488379126.db2.gz PIOHXBLPWJAFKZ-GOSISDBHSA-N 1 0 370.453 0.933 50 0 FCAARO CN(C)C(=O)CC[N@H+](C)CCC(=O)Nc1ccc(-c2nnn(C)n2)cc1 ZINC000072400832 488379878 /nfs/dbraw/zinc/37/98/78/488379878.db2.gz HCLINWSUKAGEBQ-UHFFFAOYSA-N 1 0 359.434 0.616 50 0 FCAARO NS(=O)(=O)CCCC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072421658 488380323 /nfs/dbraw/zinc/38/03/23/488380323.db2.gz ARHSKQPZXHDYPA-UHFFFAOYSA-N 1 0 365.499 0.757 50 0 FCAARO CS(=O)(=O)c1cnc(NCCN2CCCC2=O)nc1[C@H]1CCC[NH2+]C1 ZINC000072431097 488380835 /nfs/dbraw/zinc/38/08/35/488380835.db2.gz HANQUGXBALZVHG-LBPRGKRZSA-N 1 0 367.475 0.381 50 0 FCAARO CCOC1CCN(Cc2cc3n(n2)CCCN(C(=O)[C@@H]2CC[NH2+]2)C3)CC1 ZINC000072435377 488380908 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352.865 0.713 50 0 FCAARO CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000077407418 132184172 /nfs/dbraw/zinc/18/41/72/132184172.db2.gz BCVRNELOALVYQJ-CQSZACIVSA-N 1 0 360.506 0.471 50 0 FCAARO C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc(N)nc(N)n2)CC3)C1 ZINC000091626044 132202726 /nfs/dbraw/zinc/20/27/26/132202726.db2.gz DMGVXPKTDSZBGB-CYBMUJFWSA-N 1 0 359.478 0.554 50 0 FCAARO C[C@H]1Cc2ccccc2N1C(=O)Cn1ncc(N2CC[NH2+]CC2)cc1=O ZINC000095503378 132212206 /nfs/dbraw/zinc/21/22/06/132212206.db2.gz DQXQZVWRLRKYKD-AWEZNQCLSA-N 1 0 353.426 0.631 50 0 FCAARO NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237944444 132248354 /nfs/dbraw/zinc/24/83/54/132248354.db2.gz HZVCUQSSLPOAQY-QGZVFWFLSA-N 1 0 365.437 0.544 50 0 FCAARO O=C([C@H]1COCCN1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238011932 132248760 /nfs/dbraw/zinc/24/87/60/132248760.db2.gz ISEYPWCWDZXKSH-QZTJIDSGSA-N 1 0 373.501 0.431 50 0 FCAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2ccccc2N2CCC(=O)NC2=O)C1 ZINC000215473587 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0.625 50 0 FCAARO C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058201186 136130855 /nfs/dbraw/zinc/13/08/55/136130855.db2.gz UUGHHPJHYYXDDR-JKSUJKDBSA-N 1 0 374.489 0.499 50 0 FCAARO CC(C)NC(=O)CN1C(=O)COc2ccc(C(=O)NCC[NH+](C)C)cc21 ZINC000064956622 136134175 /nfs/dbraw/zinc/13/41/75/136134175.db2.gz KZXLFDCQMRZUIZ-UHFFFAOYSA-N 1 0 362.430 0.228 50 0 FCAARO Cc1cnc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)nc1N(C)C ZINC000095362811 221863531 /nfs/dbraw/zinc/86/35/31/221863531.db2.gz XUZSKSYHWZUMKY-IAGOWNOFSA-N 1 0 363.506 0.600 50 0 FCAARO COCCCN1C(=O)N(Cc2nc3ncccn3n2)C(=O)C12CC[NH2+]CC2 ZINC000095391025 221897525 /nfs/dbraw/zinc/89/75/25/221897525.db2.gz MSRDVFVYDBGRCE-UHFFFAOYSA-N 1 0 373.417 0.047 50 0 FCAARO NS(=O)(=O)Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000096133827 222040077 /nfs/dbraw/zinc/04/00/77/222040077.db2.gz KIVWVYRGCUKBQE-HNNXBMFYSA-N 1 0 370.475 0.443 50 0 FCAARO Cc1cc(-n2cnnn2)cc(NC(=O)NC[C@@H]2COCC[N@@H+](C)C2)c1C ZINC000096138305 222042789 /nfs/dbraw/zinc/04/27/89/222042789.db2.gz ASYTVTFLZIQDJP-AWEZNQCLSA-N 1 0 359.434 0.979 50 0 FCAARO Cc1nnnn1-c1cccc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000096166424 222066362 /nfs/dbraw/zinc/06/63/62/222066362.db2.gz KIUIXOOHDZDSJJ-UHFFFAOYSA-N 1 0 352.402 0.591 50 0 FCAARO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCC[NH+](C)C)C2=O)cc1 ZINC000096221161 222086013 /nfs/dbraw/zinc/08/60/13/222086013.db2.gz ZGVSQQMLVNRWPS-HNNXBMFYSA-N 1 0 362.430 0.574 50 0 biogenic FCAARO Cc1c(NC(=O)CN(C)C)cccc1NC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000097831212 222216284 /nfs/dbraw/zinc/21/62/84/222216284.db2.gz RYRDNRCRZFFECK-SFHVURJKSA-N 1 0 363.462 0.731 50 0 FCAARO O=C(COc1ccc(C[NH2+]CCN2CCNC2=O)cc1)N1CCOCC1 ZINC000055153243 229151217 /nfs/dbraw/zinc/15/12/17/229151217.db2.gz RJURXQPIZVYXFG-UHFFFAOYSA-N 1 0 362.430 0.039 50 0 FCAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000408512933 230013483 /nfs/dbraw/zinc/01/34/83/230013483.db2.gz QGJGZEUKGGOWHR-HIFRSBDPSA-N 1 0 366.487 0.119 50 0 FCAARO CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[NH3+])cc2C1 ZINC000426434151 263589850 /nfs/dbraw/zinc/58/98/50/263589850.db2.gz SCYBSIGMYWWSNZ-GFOFROLCSA-N 1 0 357.458 0.647 50 0 FCAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000426442937 263592934 /nfs/dbraw/zinc/59/29/34/263592934.db2.gz MNWQRDDGWNHDIZ-OAHLLOKOSA-N 1 0 366.429 0.847 50 0 FCAARO COCCCn1cnnc1CNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000426465143 263595583 /nfs/dbraw/zinc/59/55/83/263595583.db2.gz IVKABCPGPDDGKF-UHFFFAOYSA-N 1 0 365.478 0.822 50 0 FCAARO O=C(N[C@H]1COC2(C1)CCCCC2)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000426510555 263614487 /nfs/dbraw/zinc/61/44/87/263614487.db2.gz BCPBBCPNSCNANR-OAHLLOKOSA-N 1 0 362.478 0.405 50 0 FCAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000426518014 263617286 /nfs/dbraw/zinc/61/72/86/263617286.db2.gz ZJXTUBSMEJDAPB-SFHVURJKSA-N 1 0 371.485 0.608 50 0 FCAARO Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000005339737 487487927 /nfs/dbraw/zinc/48/79/27/487487927.db2.gz ZTMMKSZAYKGCRY-UHFFFAOYSA-N 1 0 368.459 0.151 50 0 FCAARO Cn1c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000006208826 487494326 /nfs/dbraw/zinc/49/43/26/487494326.db2.gz MKSKPBIOIXVGGS-UHFFFAOYSA-N 1 0 368.441 0.293 50 0 FCAARO Cn1c(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc(=O)n(C)c1=O ZINC000008728348 487521166 /nfs/dbraw/zinc/52/11/66/487521166.db2.gz CIBDCPWSSWAXKE-UHFFFAOYSA-N 1 0 358.442 0.553 50 0 FCAARO CCOc1ccc(N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000010111575 487531790 /nfs/dbraw/zinc/53/17/90/487531790.db2.gz KTHWWRJNEKSDDB-CYBMUJFWSA-N 1 0 357.476 0.918 50 0 FCAARO Cn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)c2c1CC[NH2+]C2 ZINC000034928757 487796096 /nfs/dbraw/zinc/79/60/96/487796096.db2.gz COMMJWUUBMOTJJ-AWEZNQCLSA-N 1 0 359.474 0.931 50 0 FCAARO C[NH+](C)CCNC(=O)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O ZINC000041253908 487820536 /nfs/dbraw/zinc/82/05/36/487820536.db2.gz RZCYEKVSAQQLOK-UHFFFAOYSA-N 1 0 358.398 0.707 50 0 FCAARO CCOc1ccc(S(=O)(=O)N(CC)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944536 487962233 /nfs/dbraw/zinc/96/22/33/487962233.db2.gz AQSNAPXFEOKRKL-UHFFFAOYSA-N 1 0 369.487 0.918 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000049762694 488101436 /nfs/dbraw/zinc/10/14/36/488101436.db2.gz XCYZOFLKXOWSJY-HUUCEWRRSA-N 1 0 362.405 0.779 50 0 FCAARO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000058162108 488279791 /nfs/dbraw/zinc/27/97/91/488279791.db2.gz OUEZYEZKHQGVFW-LBPRGKRZSA-N 1 0 363.414 0.897 50 0 FCAARO O=C(Cn1ccc(=O)c2ccccc21)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072119539 488377641 /nfs/dbraw/zinc/37/76/41/488377641.db2.gz KUFFFGWZPFSVFN-IBGZPJMESA-N 1 0 357.410 0.219 50 0 FCAARO NC(=O)NCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072125363 488377646 /nfs/dbraw/zinc/37/76/46/488377646.db2.gz QYLUOSXOEMEEMG-MORSLUCNSA-N 1 0 372.425 0.472 50 0 FCAARO COc1ccccc1[C@H]1CN(C(=O)Cn2ncnn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072149501 488378235 /nfs/dbraw/zinc/37/82/35/488378235.db2.gz ZMPSSZCTGODBSA-ATZDWAIDSA-N 1 0 368.441 0.771 50 0 FCAARO Cc1nn(C)cc1C[N@@H+]1CCc2ncnc(NCc3nc[nH]n3)c2CC1 ZINC000072423405 488380328 /nfs/dbraw/zinc/38/03/28/488380328.db2.gz VNJLFWHCQGFCKJ-UHFFFAOYSA-N 1 0 353.434 0.850 50 0 FCAARO O=C(C[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072438997 488381216 /nfs/dbraw/zinc/38/12/16/488381216.db2.gz BNVDHGNYKBOVOG-MRXNPFEDSA-N 1 0 356.426 0.286 50 0 FCAARO CN1CCN(Cc2cccc(OCC[NH+](C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072476976 488381843 /nfs/dbraw/zinc/38/18/43/488381843.db2.gz RAXDVXIJRUFZSK-MSOLQXFVSA-N 1 0 367.515 0.540 50 0 FCAARO CNC(=O)[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 ZINC000072478574 488381942 /nfs/dbraw/zinc/38/19/42/488381942.db2.gz NZCAVTBVNHVKHU-CQSZACIVSA-N 1 0 352.442 0.799 50 0 FCAARO C[NH+](C)CCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 ZINC000075572920 488397502 /nfs/dbraw/zinc/39/75/02/488397502.db2.gz HBUSTRWTZYXMPL-OAHLLOKOSA-N 1 0 369.429 0.503 50 0 FCAARO CC(C)Cc1cc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)n(C)n1 ZINC000077407903 488412771 /nfs/dbraw/zinc/41/27/71/488412771.db2.gz YGOHAHMGYZGEOL-LJQANCHMSA-N 1 0 364.490 0.918 50 0 FCAARO CCn1c(N)nc2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cnc21 ZINC000077457086 488413893 /nfs/dbraw/zinc/41/38/93/488413893.db2.gz GQKMPJNEUCBKKH-UHFFFAOYSA-N 1 0 371.489 0.887 50 0 FCAARO Cc1cc(N2CCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc[nH+]1 ZINC000077470716 488414461 /nfs/dbraw/zinc/41/44/61/488414461.db2.gz KRQFXLICTAEUEA-UHFFFAOYSA-N 1 0 357.414 0.356 50 0 FCAARO Cc1cc(C)n([C@H]2CCN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)C2)n1 ZINC000077489177 488414610 /nfs/dbraw/zinc/41/46/10/488414610.db2.gz CTQIPXAQIVYHDH-INIZCTEOSA-N 1 0 372.477 0.084 50 0 FCAARO Nc1nc(CCC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cs1 ZINC000077503263 488414666 /nfs/dbraw/zinc/41/46/66/488414666.db2.gz XERKXKFHGAIITG-MRXNPFEDSA-N 1 0 354.476 0.344 50 0 FCAARO CN(CCO)Cc1nnc(C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C ZINC000077516125 488415028 /nfs/dbraw/zinc/41/50/28/488415028.db2.gz HKMPMQHRIQCWAM-UHFFFAOYSA-N 1 0 364.494 0.041 50 0 FCAARO [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCCc2ccc(O)cc2)[C@@H]3C1=O ZINC000215056914 488440103 /nfs/dbraw/zinc/44/01/03/488440103.db2.gz FDHFBCZVJVOTCC-GGXPGOJBSA-N 1 0 359.426 0.016 50 0 FCAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000215921873 488440473 /nfs/dbraw/zinc/44/04/73/488440473.db2.gz YDTRWEFFRHGWMB-CQSZACIVSA-N 1 0 364.446 0.018 50 0 FCAARO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000215889577 488440528 /nfs/dbraw/zinc/44/05/28/488440528.db2.gz JQOYCCYNTOKIBA-OAHLLOKOSA-N 1 0 367.471 0.707 50 0 FCAARO Cn1c(=O)[nH]cc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c1=O ZINC000216081198 488441325 /nfs/dbraw/zinc/44/13/25/488441325.db2.gz ZIXNANGDNBKPIG-QGZVFWFLSA-N 1 0 370.453 0.960 50 0 FCAARO Cc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)c1C ZINC000216012288 488441348 /nfs/dbraw/zinc/44/13/48/488441348.db2.gz UNBYFNTXFUWVSE-LJCCNALRSA-N 1 0 357.454 0.884 50 0 FCAARO COc1cc(=O)n2c(c1C(=O)NCCc1c(C)n[nH]c1C)CC[NH2+]CC2 ZINC000219396406 488444444 /nfs/dbraw/zinc/44/44/44/488444444.db2.gz LMPFBCVYRYOIHI-UHFFFAOYSA-N 1 0 359.430 0.315 50 0 FCAARO CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000220240018 488445146 /nfs/dbraw/zinc/44/51/46/488445146.db2.gz YMQMQJWAPGDFPH-XMTFNYHQSA-N 1 0 361.442 0.900 50 0 FCAARO CC(C)c1cc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)nc2ncnn21 ZINC000082106986 488445493 /nfs/dbraw/zinc/44/54/93/488445493.db2.gz OERMXNPZPJHJMY-UHFFFAOYSA-N 1 0 354.418 0.868 50 0 FCAARO CC[NH+](CC)Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(C)o1 ZINC000221154953 488445821 /nfs/dbraw/zinc/44/58/21/488445821.db2.gz JZPSMYKYGBFYEJ-UHFFFAOYSA-N 1 0 358.464 0.391 50 0 FCAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CNC(=O)N(C)C)cc2C1 ZINC000082146960 488445921 /nfs/dbraw/zinc/44/59/21/488445921.db2.gz ZBXFAUABBBEMFV-UHFFFAOYSA-N 1 0 350.467 0.632 50 0 FCAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)no1 ZINC000225565174 488450408 /nfs/dbraw/zinc/45/04/08/488450408.db2.gz RMSCOMPTVVIOBO-UHFFFAOYSA-N 1 0 350.419 0.929 50 0 FCAARO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1F ZINC000237442767 488455577 /nfs/dbraw/zinc/45/55/77/488455577.db2.gz DNKUDBVZIVWWNX-SNVBAGLBSA-N 1 0 350.437 0.650 50 0 FCAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CCNCC1=O ZINC000237512918 488455975 /nfs/dbraw/zinc/45/59/75/488455975.db2.gz BMDGZFREIFCLQS-AEFFLSMTSA-N 1 0 358.486 0.787 50 0 FCAARO C[C@H]1C[C@@H](N(C)C(=O)CN2CCNCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000237527884 488456045 /nfs/dbraw/zinc/45/60/45/488456045.db2.gz KRGRLKKHONVDAB-WMZOPIPTSA-N 1 0 358.486 0.930 50 0 FCAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CCNCC1=O ZINC000237678622 488456583 /nfs/dbraw/zinc/45/65/83/488456583.db2.gz BMDGZFREIFCLQS-WMZOPIPTSA-N 1 0 358.486 0.787 50 0 FCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000238011247 488458267 /nfs/dbraw/zinc/45/82/67/488458267.db2.gz RFLNIKCORUQHHQ-ZBFHGGJFSA-N 1 0 353.850 0.586 50 0 FCAARO CCn1c(CN2CCN(Cc3noc(C)n3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243956727 488460513 /nfs/dbraw/zinc/46/05/13/488460513.db2.gz CCUTYFOAMBGLPB-HDJSIYSDSA-N 1 0 360.466 0.512 50 0 FCAARO COc1ccccc1CCNC(=O)CN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000244852521 488462432 /nfs/dbraw/zinc/46/24/32/488462432.db2.gz UTWPBTKKLASOKR-ROUUACIJSA-N 1 0 361.486 0.885 50 0 FCAARO CN1C(=O)N(C)C2(CC[NH+](Cc3cc(=O)n4cccc(O)c4n3)CC2)C1=O ZINC000244874461 488462623 /nfs/dbraw/zinc/46/26/23/488462623.db2.gz XBQOFHWYDHUHHA-UHFFFAOYSA-N 1 0 371.397 0.259 50 0 FCAARO Cc1nnnn1CCC[NH+]1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 ZINC000091562863 488465299 /nfs/dbraw/zinc/46/52/99/488465299.db2.gz NCIZTHDHHGZUNF-CQSZACIVSA-N 1 0 350.467 0.457 50 0 FCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000091562814 488465489 /nfs/dbraw/zinc/46/54/89/488465489.db2.gz GSIKRGNWRWVFCJ-GFCCVEGCSA-N 1 0 351.476 0.557 50 0 FCAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000091646105 488467031 /nfs/dbraw/zinc/46/70/31/488467031.db2.gz PCUHLRKBVXIBMK-XACAWQSSSA-N 1 0 372.469 0.956 50 0 FCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091665832 488467847 /nfs/dbraw/zinc/46/78/47/488467847.db2.gz ZGDZTLJUWDDUBL-KRWDZBQOSA-N 1 0 357.520 0.992 50 0 FCAARO COCCNC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000091724373 488468760 /nfs/dbraw/zinc/46/87/60/488468760.db2.gz QXJUYMPABROFKI-UHFFFAOYSA-N 1 0 355.460 0.437 50 0 FCAARO [NH3+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCOCC3)cc2)C1 ZINC000091807823 488470026 /nfs/dbraw/zinc/47/00/26/488470026.db2.gz TWZUDFUDVCYAIH-AWEZNQCLSA-N 1 0 353.444 0.271 50 0 FCAARO COCCN(Cc1c(C)nn(C)c1C)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091951804 488471724 /nfs/dbraw/zinc/47/17/24/488471724.db2.gz ATFJHNQZIPTKDN-UHFFFAOYSA-N 1 0 365.478 0.209 50 0 FCAARO Cc1cc(C)nc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000091934976 488472082 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356.430 0.636 50 0 FCAARO CC(C)Nc1ncc(CN2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095356185 488480889 /nfs/dbraw/zinc/48/08/89/488480889.db2.gz FWMHWADKDWKNSR-IAGOWNOFSA-N 1 0 363.506 0.794 50 0 FCAARO CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)no1 ZINC000095358259 488481215 /nfs/dbraw/zinc/48/12/15/488481215.db2.gz PCKHVBXICMDWSL-HZPDHXFCSA-N 1 0 364.490 0.801 50 0 FCAARO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000095358945 488481258 /nfs/dbraw/zinc/48/12/58/488481258.db2.gz UDVBBBRYBUJPIE-QZTJIDSGSA-N 1 0 360.502 0.681 50 0 FCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1=O ZINC000095368400 488481708 /nfs/dbraw/zinc/48/17/08/488481708.db2.gz GKFXRAIULAORRG-HNNXBMFYSA-N 1 0 360.458 0.302 50 0 FCAARO Cc1ncc2c(c1-c1noc(C[C@H]3C(=O)N(C)C(=O)N3C)n1)CC[NH2+]C2 ZINC000095371951 488482407 /nfs/dbraw/zinc/48/24/07/488482407.db2.gz XFRCSTIITVVGOR-LBPRGKRZSA-N 1 0 356.386 0.521 50 0 FCAARO Cc1noc(C)c1CN1CC2(CC1=O)CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC2 ZINC000095392092 488483506 /nfs/dbraw/zinc/48/35/06/488483506.db2.gz WKBSOMWSGIDMPF-WBMJQRKESA-N 1 0 364.446 0.341 50 0 FCAARO COC(=O)c1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000095461283 488484682 /nfs/dbraw/zinc/48/46/82/488484682.db2.gz BOSUKNQWYISXIT-UHFFFAOYSA-N 1 0 362.430 0.165 50 0 FCAARO COC(=O)N[C@H](C)C(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000095524949 488486768 /nfs/dbraw/zinc/48/67/68/488486768.db2.gz RGWNLSGOPGERNF-CYBMUJFWSA-N 1 0 351.451 0.895 50 0 FCAARO COc1cc(=O)n2c(c1C(=O)N1CC(n3nc(C)cc3C)C1)CC[NH2+]CC2 ZINC000252505376 488518420 /nfs/dbraw/zinc/51/84/20/488518420.db2.gz VQOCJPJBBGIYFA-UHFFFAOYSA-N 1 0 371.441 0.513 50 0 FCAARO CCN1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000253396365 488520040 /nfs/dbraw/zinc/52/00/40/488520040.db2.gz AZWSENPBGXNANF-HNNXBMFYSA-N 1 0 352.479 0.751 50 0 FCAARO NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000174496935 488849490 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FCAARO COc1cc(=O)n2c(c1C(=O)NCc1cc(C(C)(C)C)n[nH]1)CC[NH2+]CC2 ZINC000426404235 489565661 /nfs/dbraw/zinc/56/56/61/489565661.db2.gz LIKDBUSSPPEQEQ-UHFFFAOYSA-N 1 0 373.457 0.953 50 0 FCAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC000426410718 489566111 /nfs/dbraw/zinc/56/61/11/489566111.db2.gz ORJGPYXDMVGCJP-HNNXBMFYSA-N 1 0 353.488 0.872 50 0 FCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCN(c2ncccn2)CC1 ZINC000426589895 489576067 /nfs/dbraw/zinc/57/60/67/489576067.db2.gz BWFVLEWDBPPSGT-OAHLLOKOSA-N 1 0 355.446 0.489 50 0 FCAARO CNC(=O)[C@@H](NC(=O)NC(C)(C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000426615052 489576810 /nfs/dbraw/zinc/57/68/10/489576810.db2.gz FAHDENWLQSCRAM-INIZCTEOSA-N 1 0 361.490 0.799 50 0 FCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000534674467 490396272 /nfs/dbraw/zinc/39/62/72/490396272.db2.gz CPBYJZMWDQXCLX-KBPBESRZSA-N 1 0 359.423 0.037 50 0 FCAARO C[N@@H+]1CCOC[C@H](CNC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000584889774 491718681 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COc1cc(COC[C@@H](O)C[NH+]2CCN(C)CC2)cc(OC)c1OC ZINC000019770879 533918220 /nfs/dbraw/zinc/91/82/20/533918220.db2.gz FHUIRKLJTCPNAP-HNNXBMFYSA-N 1 0 354.447 0.837 50 0 FCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)Cc3ccc(O)cc3)C[C@@H]2CO)CC1 ZINC000091656468 523806699 /nfs/dbraw/zinc/80/66/99/523806699.db2.gz MDDLGROAXCHNCH-QZTJIDSGSA-N 1 0 361.486 0.639 50 0 FCAARO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000390832648 524139640 /nfs/dbraw/zinc/13/96/40/524139640.db2.gz DOWRVYOCYAIRCE-UGUYLWEFSA-N 1 0 352.479 0.796 50 0 FCAARO Cc1cc(C)n(CCC[N@@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)n1 ZINC000299785473 524517103 /nfs/dbraw/zinc/51/71/03/524517103.db2.gz RSRLQZLWHNIPFB-UHFFFAOYSA-N 1 0 366.491 0.652 50 0 FCAARO Cc1cc(C)n(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c(=O)n1 ZINC000252669074 524529229 /nfs/dbraw/zinc/52/92/29/524529229.db2.gz GKNJXVGJLAQQAT-OKILXGFUSA-N 1 0 359.434 0.324 50 0 FCAARO COc1ccccc1N1CCN(C(=O)CC[N@H+](C)[C@H]2CCN(C)C2)CC1=O ZINC000082166605 524543536 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CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1ccccc1OC ZINC000010339412 487533232 /nfs/dbraw/zinc/53/32/32/487533232.db2.gz BPYFEKKVNLPAGF-GJZGRUSLSA-N 1 0 361.398 0.734 50 0 FCAARO CN1CCNC(=O)[C@H]1CC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011716349 487544527 /nfs/dbraw/zinc/54/45/27/487544527.db2.gz QXXMUQZBYMNQEH-ORPJZTTNSA-N 1 0 374.529 0.776 50 0 FCAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000024938963 487655474 /nfs/dbraw/zinc/65/54/74/487655474.db2.gz BDTKOZIWVVXOFH-ZIAGYGMSSA-N 1 0 360.410 0.919 50 0 FCAARO CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000025359598 487664439 /nfs/dbraw/zinc/66/44/39/487664439.db2.gz RCDWZVKSZWBVSI-KRWDZBQOSA-N 1 0 365.499 0.797 50 0 FCAARO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804125 487784023 /nfs/dbraw/zinc/78/40/23/487784023.db2.gz NSHSVCHCDPBBMH-CYBMUJFWSA-N 1 0 358.442 0.867 50 0 FCAARO NC(=O)[C@@H]1CCCN1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000043095866 487891698 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O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCCSc1c[nH]nn1 ZINC000072133262 488377898 /nfs/dbraw/zinc/37/78/98/488377898.db2.gz BHEXOFVBIZVFPQ-GFCCVEGCSA-N 1 0 352.464 0.146 50 0 FCAARO CS(=O)(=O)N1CCCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072131916 488377904 /nfs/dbraw/zinc/37/79/04/488377904.db2.gz YGOHZMHKTKXBAR-AWEZNQCLSA-N 1 0 351.472 0.871 50 0 FCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@](O)(CO)C3)cnn2c1 ZINC000072129448 488377926 /nfs/dbraw/zinc/37/79/26/488377926.db2.gz GVKNZCATASLIQY-SFHVURJKSA-N 1 0 361.446 0.531 50 0 FCAARO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cnc2cc(=O)[nH]n21 ZINC000072151862 488378630 /nfs/dbraw/zinc/37/86/30/488378630.db2.gz APBVZZSWQKFQKG-HNNXBMFYSA-N 1 0 373.457 0.640 50 0 FCAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1 ZINC000072168954 488379212 /nfs/dbraw/zinc/37/92/12/488379212.db2.gz VZXVDZITRBFUCA-INIZCTEOSA-N 1 0 350.444 0.373 50 0 FCAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000072270258 488379569 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Cn1ncnc1CCNc1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072476475 488381832 /nfs/dbraw/zinc/38/18/32/488381832.db2.gz SVZXXLXOCPONRI-LLVKDONJSA-N 1 0 365.463 0.130 50 0 FCAARO Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cn(CC[NH3+])nn2)n1 ZINC000077286937 488409806 /nfs/dbraw/zinc/40/98/06/488409806.db2.gz VHGUBTYVPQMYPP-SECBINFHSA-N 1 0 359.356 0.827 50 0 FCAARO O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077321545 488410851 /nfs/dbraw/zinc/41/08/51/488410851.db2.gz NZJSUYXHAVKRAM-IBGZPJMESA-N 1 0 371.441 0.567 50 0 FCAARO CCCO[C@H]1CCCN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1 ZINC000077354005 488411252 /nfs/dbraw/zinc/41/12/52/488411252.db2.gz XVDBQUHPNBCWTF-HNNXBMFYSA-N 1 0 350.467 0.215 50 0 FCAARO CC[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 ZINC000077353334 488411290 /nfs/dbraw/zinc/41/12/90/488411290.db2.gz YDIYVMBKVGUTDC-INIZCTEOSA-N 1 0 367.471 0.330 50 0 FCAARO CC[C@H](C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)[NH+]1CCCC1 ZINC000077343231 488411323 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O=C(c1cn(CC[C@@H]2CCCC[NH2+]2)nn1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000077555114 488415522 /nfs/dbraw/zinc/41/55/22/488415522.db2.gz QAEXGNIYMOCZIC-LBPRGKRZSA-N 1 0 359.434 0.480 50 0 FCAARO CN1CCNC(=O)C12CCN(C(=O)C[N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000216482597 488441857 /nfs/dbraw/zinc/44/18/57/488441857.db2.gz WMDOVECNZXMTLF-GOSISDBHSA-N 1 0 370.497 0.899 50 0 FCAARO CCC[NH+]1CCC(N2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)CC1 ZINC000219472190 488444409 /nfs/dbraw/zinc/44/44/09/488444409.db2.gz CRJYVMGPCQSMQH-KRWDZBQOSA-N 1 0 370.519 0.651 50 0 FCAARO Cn1c(=O)[nH]cc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1=O ZINC000220265151 488445143 /nfs/dbraw/zinc/44/51/43/488445143.db2.gz MFRDIEFJGNRLTB-UHFFFAOYSA-N 1 0 356.426 0.528 50 0 FCAARO C[NH+]1CCC(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)CC1 ZINC000082147117 488445992 /nfs/dbraw/zinc/44/59/92/488445992.db2.gz GLDNXOXATUYQFE-UHFFFAOYSA-N 1 0 369.491 0.006 50 0 FCAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Cn2ccnc2)o1 ZINC000223140525 488447756 /nfs/dbraw/zinc/44/77/56/488447756.db2.gz JAKYGRCMIKHBIF-CVEARBPZSA-N 1 0 362.430 0.990 50 0 FCAARO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 ZINC000230186955 488452575 /nfs/dbraw/zinc/45/25/75/488452575.db2.gz DAKVDQQUTBPEGR-SJCJKPOMSA-N 1 0 351.834 0.876 50 0 FCAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000237162517 488454357 /nfs/dbraw/zinc/45/43/57/488454357.db2.gz LULPZYKZCZOBBO-ZDUSSCGKSA-N 1 0 365.459 0.767 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000237682397 488456739 /nfs/dbraw/zinc/45/67/39/488456739.db2.gz PALICWZADJIZRJ-GFCCVEGCSA-N 1 0 351.432 0.424 50 0 FCAARO Cc1nc2c(c(=O)n1C)CN(Cc1nnc([C@H]3C[C@@H]([NH3+])C3)n1C1CC1)C2 ZINC000244794790 488461783 /nfs/dbraw/zinc/46/17/83/488461783.db2.gz QTMUJQULSZFCQF-TXEJJXNPSA-N 1 0 355.446 0.736 50 0 FCAARO CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244788069 488462022 /nfs/dbraw/zinc/46/20/22/488462022.db2.gz QIUDCDRYNZTSTH-HDJSIYSDSA-N 1 0 353.434 0.832 50 0 FCAARO COCCn1c(CN2CCC(CNC(C)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244873338 488462522 /nfs/dbraw/zinc/46/25/22/488462522.db2.gz WOJSGCPCBDHOSL-IYBDPMFKSA-N 1 0 364.494 0.477 50 0 FCAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2 ZINC000091320424 488462899 /nfs/dbraw/zinc/46/28/99/488462899.db2.gz SGJCLAHFHQZMSK-CHWSQXEVSA-N 1 0 368.459 0.527 50 0 FCAARO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(C)[nH]c1=O)C2 ZINC000091452623 488464313 /nfs/dbraw/zinc/46/43/13/488464313.db2.gz KCSVMVSDPYPSHO-UONOGXRCSA-N 1 0 356.430 0.846 50 0 FCAARO Cc1nc(C)c(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)c(=O)[nH]1 ZINC000091519241 488464760 /nfs/dbraw/zinc/46/47/60/488464760.db2.gz GMAHFEWYBSFUBH-UHFFFAOYSA-N 1 0 370.457 0.658 50 0 FCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nnc3nc(C)cc(C)n31)C2 ZINC000091547946 488465333 /nfs/dbraw/zinc/46/53/33/488465333.db2.gz BYMJKBUQANNVPR-HUUCEWRRSA-N 1 0 358.446 0.924 50 0 FCAARO Cc1ccc([C@H]2CN(C(=O)c3cc(-n4cnnn4)ccc3O)C[C@@H]2[NH3+])o1 ZINC000091586903 488465664 /nfs/dbraw/zinc/46/56/64/488465664.db2.gz WDUCWJGZTAZZSJ-KBPBESRZSA-N 1 0 354.370 0.836 50 0 FCAARO CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091586142 488465718 /nfs/dbraw/zinc/46/57/18/488465718.db2.gz DKFAYWNYOACGIE-LBPRGKRZSA-N 1 0 369.491 0.173 50 0 FCAARO C[N@@H+]1CCN(C(=O)N2CCOCC2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091616711 488466493 /nfs/dbraw/zinc/46/64/93/488466493.db2.gz ARKLUAZOBLAEEI-IBGZPJMESA-N 1 0 364.490 0.847 50 0 FCAARO OC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CN1CCOCC1 ZINC000091645561 488467371 /nfs/dbraw/zinc/46/73/71/488467371.db2.gz NAGITISRJJWHGY-IAGOWNOFSA-N 1 0 358.446 0.239 50 0 FCAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1cnnn1)CC2 ZINC000091725198 488468344 /nfs/dbraw/zinc/46/83/44/488468344.db2.gz LLVYJEVJJYCMLK-UHFFFAOYSA-N 1 0 358.450 0.428 50 0 FCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@@H]1CO ZINC000091793482 488469330 /nfs/dbraw/zinc/46/93/30/488469330.db2.gz IQYSYJAMVRPWQI-ZIAGYGMSSA-N 1 0 370.881 0.202 50 0 FCAARO Cn1cc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091829655 488470667 /nfs/dbraw/zinc/47/06/67/488470667.db2.gz ZBKIEXYGAKONNF-HUUCEWRRSA-N 1 0 368.909 0.997 50 0 FCAARO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 ZINC000091871886 488471415 /nfs/dbraw/zinc/47/14/15/488471415.db2.gz JWCPJTQPWUMNEN-OAHLLOKOSA-N 1 0 360.439 0.652 50 0 FCAARO O=C(NCc1ncc2c(n1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000091943654 488472030 /nfs/dbraw/zinc/47/20/30/488472030.db2.gz OTOYALUVBRHULQ-CABCVRRESA-N 1 0 357.458 0.430 50 0 FCAARO O=C(c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1)N1CCOCC1 ZINC000091987120 488472394 /nfs/dbraw/zinc/47/23/94/488472394.db2.gz MCWKJZVDHGPVEY-UHFFFAOYSA-N 1 0 353.444 0.143 50 0 FCAARO CCOCCNS(=O)(=O)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000091998033 488473066 /nfs/dbraw/zinc/47/30/66/488473066.db2.gz KFEWMZNYRFKGHG-UHFFFAOYSA-N 1 0 355.460 0.437 50 0 FCAARO Cc1nnc(CCC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)[nH]1 ZINC000092001478 488473090 /nfs/dbraw/zinc/47/30/90/488473090.db2.gz NCINBAIGPZRSIE-SFHVURJKSA-N 1 0 365.478 0.368 50 0 FCAARO C[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC[NH2+]1 ZINC000269222673 488480349 /nfs/dbraw/zinc/48/03/49/488480349.db2.gz SCWJTUMHJZWCEQ-CYBMUJFWSA-N 1 0 368.455 0.832 50 0 FCAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCc3ccncn3)C2)cn1 ZINC000095355862 488480916 /nfs/dbraw/zinc/48/09/16/488480916.db2.gz PFFKDPOMEFBPPO-KGLIPLIRSA-N 1 0 354.414 0.661 50 0 FCAARO Cc1cc(C)n(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c(=O)n1 ZINC000095370071 488481476 /nfs/dbraw/zinc/48/14/76/488481476.db2.gz WZYARYSDNQGBQG-MRXNPFEDSA-N 1 0 362.474 0.867 50 0 FCAARO O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000095366054 488481535 /nfs/dbraw/zinc/48/15/35/488481535.db2.gz ARXPUVZTQQHLOU-UHFFFAOYSA-N 1 0 374.466 0.996 50 0 FCAARO O=C([C@H]1C[NH2+]C[C@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1)N1CCCC1 ZINC000095382597 488482883 /nfs/dbraw/zinc/48/28/83/488482883.db2.gz QTWALOHSJMGSTN-HUUCEWRRSA-N 1 0 360.462 0.359 50 0 FCAARO CSc1ncccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095381525 488483042 /nfs/dbraw/zinc/48/30/42/488483042.db2.gz HOYMCQGXSLFUGE-HUUCEWRRSA-N 1 0 364.515 0.731 50 0 FCAARO Cc1ccc2c(c1)c(CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)nn2C ZINC000095388443 488483772 /nfs/dbraw/zinc/48/37/72/488483772.db2.gz VDYKNAXVBBNOPN-AWEZNQCLSA-N 1 0 357.458 0.908 50 0 FCAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)CN2C(=O)CNC2=O)CC1 ZINC000095391116 488483782 /nfs/dbraw/zinc/48/37/82/488483782.db2.gz UMHYWVAWFWNPHK-UHFFFAOYSA-N 1 0 373.457 0.489 50 0 FCAARO CN(C)S(=O)(=O)CCCN1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095504245 488485139 /nfs/dbraw/zinc/48/51/39/488485139.db2.gz RYCUPZKIAUXORG-QGZVFWFLSA-N 1 0 355.504 0.447 50 0 FCAARO Cc1oncc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095529330 488487189 /nfs/dbraw/zinc/48/71/89/488487189.db2.gz LQAJTFMZNJJYLP-WBVHZDCISA-N 1 0 350.463 0.834 50 0 FCAARO COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095983428 488487833 /nfs/dbraw/zinc/48/78/33/488487833.db2.gz DBFQHRPMDMHBFM-OAHLLOKOSA-N 1 0 371.478 0.443 50 0 FCAARO CC(=O)N1CCN(c2c(=O)c(=O)c2NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000100795100 488494541 /nfs/dbraw/zinc/49/45/41/488494541.db2.gz IDODUMPUWJOSFB-JKSUJKDBSA-N 1 0 374.485 0.628 50 0 biogenic FCAARO OCCNc1nc([C@@H]2CCOC2)cc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000426493334 489570820 /nfs/dbraw/zinc/57/08/20/489570820.db2.gz XIIAXXUOSRSPIY-OAHLLOKOSA-N 1 0 370.457 1.106 50 0 FCAARO [NH3+]CCOc1ccc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000426491415 489570827 /nfs/dbraw/zinc/57/08/27/489570827.db2.gz JZIXJXIYUYDQTE-UHFFFAOYSA-N 1 0 374.485 0.333 50 0 FCAARO Nc1nc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)cc(=O)[nH]1 ZINC000426566876 489575393 /nfs/dbraw/zinc/57/53/93/489575393.db2.gz KUFPVOOUZQOEDR-HNNXBMFYSA-N 1 0 371.441 1.008 50 0 FCAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCn2nc(CNc3cnccn3)cc2C1 ZINC000426602571 489576533 /nfs/dbraw/zinc/57/65/33/489576533.db2.gz XKMCNMJANJGAQE-KRWDZBQOSA-N 1 0 369.473 1.502 50 0 FCAARO COc1cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)nc(N)n1 ZINC000426622915 489577175 /nfs/dbraw/zinc/57/71/75/489577175.db2.gz JYDGKSCRMFDGOR-GJZGRUSLSA-N 1 0 357.414 0.481 50 0 FCAARO Cc1ccccc1[C@H](O)CNC(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000534584153 490383581 /nfs/dbraw/zinc/38/35/81/490383581.db2.gz GNRBKTXUTZULIP-QGZVFWFLSA-N 1 0 362.474 0.915 50 0 FCAARO CS(=O)(=O)NCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000534642722 490391607 /nfs/dbraw/zinc/39/16/07/490391607.db2.gz UQYVHWVMBJVKSE-CYBMUJFWSA-N 1 0 372.466 0.496 50 0 FCAARO CC1CC[NH+](CCCNC(=O)N2CCN(CCn3cncn3)CC2)CC1 ZINC000584895407 491718979 /nfs/dbraw/zinc/71/89/79/491718979.db2.gz YFOZBHASTJOSCA-UHFFFAOYSA-N 1 0 363.510 0.727 50 0 FCAARO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)CC1=O ZINC000670455864 493569418 /nfs/dbraw/zinc/56/94/18/493569418.db2.gz CKBHGCHOTCQWID-HNNXBMFYSA-N 1 0 357.414 0.763 50 0 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364.471 0.732 50 0 FCAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102878500 222312465 /nfs/dbraw/zinc/31/24/65/222312465.db2.gz BGNQSDPDYFCGJJ-FOLVSLTJSA-N 1 0 369.469 0.488 50 0 FCAARO COCCN1CC[C@@]2(CN(Cc3nc(C)no3)CC[N@@H+]2C)CCC1=O ZINC000107411717 222393732 /nfs/dbraw/zinc/39/37/32/222393732.db2.gz YYCSQVHQFSVPQZ-QGZVFWFLSA-N 1 0 351.451 0.523 50 0 FCAARO CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097527996 229159979 /nfs/dbraw/zinc/15/99/79/229159979.db2.gz PXNXVHTZLOJGBN-CQSZACIVSA-N 1 0 371.459 0.266 50 0 FCAARO COCC(=O)N1CCCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426369984 263567143 /nfs/dbraw/zinc/56/71/43/263567143.db2.gz ROXWHVLBRQRWHZ-OAHLLOKOSA-N 1 0 363.462 0.057 50 0 FCAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000003455645 487471169 /nfs/dbraw/zinc/47/11/69/487471169.db2.gz KMYZFKUOEQFQIN-ZIAGYGMSSA-N 1 0 353.488 0.971 50 0 FCAARO Cc1cccc(Cn2c(N3CC[NH2+]CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004730519 487480531 /nfs/dbraw/zinc/48/05/31/487480531.db2.gz NCBQWTNHQFIYCS-UHFFFAOYSA-N 1 0 354.414 0.190 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C)[NH2+][C@]3(c4cc(C)cc(C)c4NC3=O)[C@H]2C1=O ZINC000009046236 487523999 /nfs/dbraw/zinc/52/39/99/487523999.db2.gz RZAJZQDWKRVDQO-ABTXLKSRSA-N 1 0 357.410 0.690 50 0 FCAARO CN(C)C(=O)Cc1ccccc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000299799260 488875018 /nfs/dbraw/zinc/87/50/18/488875018.db2.gz QRYYKBWLDRTDKX-MRXNPFEDSA-N 1 0 359.474 0.829 50 0 FCAARO Cc1n[nH]c(=O)c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1C ZINC000328671537 488929126 /nfs/dbraw/zinc/92/91/26/488929126.db2.gz HGNKSJDPVXBOLU-UHFFFAOYSA-N 1 0 356.430 0.876 50 0 FCAARO CCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1 ZINC000012185792 487549434 /nfs/dbraw/zinc/54/94/34/487549434.db2.gz KBZVALSVALITKS-AWEZNQCLSA-N 1 0 364.494 0.838 50 0 FCAARO CCCCn1c(CN2CC[NH+](CC)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022923874 487626970 /nfs/dbraw/zinc/62/69/70/487626970.db2.gz FKBKFRBLPNEYJA-UHFFFAOYSA-N 1 0 362.478 0.371 50 0 FCAARO O[C@H](COc1cccc(C[NH2+]CCc2cnccn2)c1)CN1CCOCC1 ZINC000023337633 487633744 /nfs/dbraw/zinc/63/37/44/487633744.db2.gz HTJVRSIOIMYVTC-IBGZPJMESA-N 1 0 372.469 0.881 50 0 FCAARO C[C@@H]([NH3+])C(=O)N1CCC(Cn2cc(CN3CCSCC3)nn2)CC1 ZINC000023478640 487636489 /nfs/dbraw/zinc/63/64/89/487636489.db2.gz WQSORBFTNUIIRV-CYBMUJFWSA-N 1 0 352.508 0.413 50 0 FCAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000032778041 487784474 /nfs/dbraw/zinc/78/44/74/487784474.db2.gz SIMKUVNRZKPUEU-OAHLLOKOSA-N 1 0 360.462 0.068 50 0 FCAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(C)(=O)=O)c1 ZINC000033033953 487791018 /nfs/dbraw/zinc/79/10/18/487791018.db2.gz JRPZNNUMYONMAT-LBPRGKRZSA-N 1 0 354.476 0.996 50 0 FCAARO CC[NH+]1CCC(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000035334245 487797552 /nfs/dbraw/zinc/79/75/52/487797552.db2.gz ZVLMFIJXFIRDQL-UHFFFAOYSA-N 1 0 357.458 0.955 50 0 FCAARO Cc1cccc(C(=O)c2c(Cn3ccc(=[NH2+])cc3)n(C)c(=O)n(C)c2=O)c1 ZINC000036365058 487801913 /nfs/dbraw/zinc/80/19/13/487801913.db2.gz PDRQZWHZALEOQQ-UHFFFAOYSA-N 1 0 364.405 0.953 50 0 FCAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000049762621 488101659 /nfs/dbraw/zinc/10/16/59/488101659.db2.gz AXZXJYAYKLHFNT-HOTGVXAUSA-N 1 0 374.441 0.649 50 0 FCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000049765307 488101757 /nfs/dbraw/zinc/10/17/57/488101757.db2.gz MMSXPPKURCSIOR-JKSUJKDBSA-N 1 0 358.442 0.949 50 0 FCAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000065313860 488317216 /nfs/dbraw/zinc/31/72/16/488317216.db2.gz VIQMVVNFBNUDSN-INIZCTEOSA-N 1 0 361.490 0.941 50 0 FCAARO NC(=O)COc1ccc(CNC(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000066532860 488331130 /nfs/dbraw/zinc/33/11/30/488331130.db2.gz KVLMQWAQHVVKKC-UHFFFAOYSA-N 1 0 374.485 0.727 50 0 FCAARO Cc1c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)sc2ncn(C)c(=O)c12 ZINC000072140230 488378209 /nfs/dbraw/zinc/37/82/09/488378209.db2.gz ACTCADBTVBIRTD-MRXNPFEDSA-N 1 0 350.444 0.442 50 0 FCAARO Cn1nnnc1SCCNc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000072156425 488378607 /nfs/dbraw/zinc/37/86/07/488378607.db2.gz IWSDPVFBSUHICM-UHFFFAOYSA-N 1 0 369.458 0.912 50 0 FCAARO CS(=O)(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072162964 488378849 /nfs/dbraw/zinc/37/88/49/488378849.db2.gz TTXMRMOMCOPGCB-CGTJXYLNSA-N 1 0 363.483 0.624 50 0 FCAARO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(CNC(C)=O)CC1 ZINC000072171363 488379245 /nfs/dbraw/zinc/37/92/45/488379245.db2.gz OSYAOAQNPBNTLL-LJQANCHMSA-N 1 0 363.458 0.665 50 0 FCAARO CN1C[C@]2(CCC[N@@H+](C3CCN(C(=O)c4cnccn4)CC3)C2)OC1=O ZINC000072419974 488380464 /nfs/dbraw/zinc/38/04/64/488380464.db2.gz AMXZIHKHDRMJHO-SFHVURJKSA-N 1 0 359.430 0.998 50 0 FCAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000072428168 488380622 /nfs/dbraw/zinc/38/06/22/488380622.db2.gz NBKLIBHLGFFQNG-OAHLLOKOSA-N 1 0 359.430 0.493 50 0 FCAARO C[N@@H+]1CCCN(C(=O)C[C@H]2COCCN2C(=O)CCc2ccncc2)CC1 ZINC000072424537 488380678 /nfs/dbraw/zinc/38/06/78/488380678.db2.gz PPYOVPUMXGFJAO-SFHVURJKSA-N 1 0 374.485 0.796 50 0 FCAARO Cn1cc(C[N@@H+]2CCc3nc(N)nc(NCc4ccon4)c3CC2)cn1 ZINC000072430685 488380721 /nfs/dbraw/zinc/38/07/21/488380721.db2.gz UVVLQJGHYXLFTF-UHFFFAOYSA-N 1 0 354.418 0.993 50 0 FCAARO O=C1NCCN1CCNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072431468 488380834 /nfs/dbraw/zinc/38/08/34/488380834.db2.gz AMUWNMRFFVXSKS-UHFFFAOYSA-N 1 0 353.430 0.664 50 0 FCAARO CC(C)[N@@H+]1CCN(Cc2cc3n(n2)CCN(C(=O)c2nc[nH]n2)C3)C[C@@H]1C ZINC000072438310 488381209 /nfs/dbraw/zinc/38/12/09/488381209.db2.gz SVCTUNPAMFFSNZ-AWEZNQCLSA-N 1 0 372.477 0.572 50 0 FCAARO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCOCC1 ZINC000073130934 488384136 /nfs/dbraw/zinc/38/41/36/488384136.db2.gz GMWWNSZLKUVDQS-OAHLLOKOSA-N 1 0 360.458 0.657 50 0 FCAARO C[NH+](C)C1(CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CCOCC1 ZINC000076092654 488401176 /nfs/dbraw/zinc/40/11/76/488401176.db2.gz WIYCPXKNJGSXIM-UHFFFAOYSA-N 1 0 351.451 0.734 50 0 FCAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)OC1=O ZINC000077303707 488410463 /nfs/dbraw/zinc/41/04/63/488410463.db2.gz SQTKNQLOLRYVAE-OAHLLOKOSA-N 1 0 369.462 0.415 50 0 FCAARO O=C(c1scc2c1OCCO2)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077357131 488411742 /nfs/dbraw/zinc/41/17/42/488411742.db2.gz TWLFCCNYZMBGLQ-QGZVFWFLSA-N 1 0 368.455 0.819 50 0 FCAARO O=C(CSc1ccncc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077422562 488412837 /nfs/dbraw/zinc/41/28/37/488412837.db2.gz CIZLLPKLMBQEDY-QGZVFWFLSA-N 1 0 351.472 0.859 50 0 FCAARO O=C([C@@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CCCC1 ZINC000077423323 488413004 /nfs/dbraw/zinc/41/30/04/488413004.db2.gz HRSORBXDUGHBHB-BOSXTWCSSA-N 1 0 359.470 0.877 50 0 FCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(=O)nc2sccn21 ZINC000077427693 488413231 /nfs/dbraw/zinc/41/32/31/488413231.db2.gz PSYAZRMWNLPXSS-MNOVXSKESA-N 1 0 363.443 0.166 50 0 FCAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000077470473 488414143 /nfs/dbraw/zinc/41/41/43/488414143.db2.gz UXYSSQJLXIAXEH-MRXNPFEDSA-N 1 0 358.442 0.955 50 0 FCAARO C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)CC1 ZINC000077458375 488414224 /nfs/dbraw/zinc/41/42/24/488414224.db2.gz IAXBLLRZFPHUAD-MFCZKXCZSA-N 1 0 361.486 0.979 50 0 FCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nn1 ZINC000077470623 488414333 /nfs/dbraw/zinc/41/43/33/488414333.db2.gz MIRUPWOSRMLZCL-ZDUSSCGKSA-N 1 0 368.401 0.702 50 0 FCAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000077504757 488414797 /nfs/dbraw/zinc/41/47/97/488414797.db2.gz JFRXLCJCRHKQTJ-UHFFFAOYSA-N 1 0 370.453 0.976 50 0 FCAARO OC[C@]1(O)CC[N@H+](Cc2ccccc2OCCCN2CCOCC2)C1 ZINC000215165288 488439961 /nfs/dbraw/zinc/43/99/61/488439961.db2.gz YSFKZJDADRCUQR-IBGZPJMESA-N 1 0 350.459 0.717 50 0 FCAARO Cc1ccc(CCNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)cc1C ZINC000215803855 488440730 /nfs/dbraw/zinc/44/07/30/488440730.db2.gz MOJUGWOPQHRWSQ-UGNRZPKXSA-N 1 0 371.481 0.927 50 0 FCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082134621 488445607 /nfs/dbraw/zinc/44/56/07/488445607.db2.gz WFSMPBYNYQAOLW-UHFFFAOYSA-N 1 0 358.855 0.550 50 0 FCAARO CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@@H+](C4CCCC4)CC2)[C@@H]3C1=O ZINC000082137325 488445907 /nfs/dbraw/zinc/44/59/07/488445907.db2.gz NCIQBUYMNDBAFC-LJCCNALRSA-N 1 0 359.470 0.875 50 0 FCAARO CC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 ZINC000082137469 488446219 /nfs/dbraw/zinc/44/62/19/488446219.db2.gz INBYGCVYLGXUKU-OAHLLOKOSA-N 1 0 369.491 0.149 50 0 FCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000223032057 488447874 /nfs/dbraw/zinc/44/78/74/488447874.db2.gz GFUQVKZQQJTWQJ-HUUCEWRRSA-N 1 0 360.414 0.389 50 0 FCAARO CCc1cc(C(=O)N2CCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc(=O)[nH]1 ZINC000223666031 488449018 /nfs/dbraw/zinc/44/90/18/488449018.db2.gz GDKHGZPUKUJHRG-MRXNPFEDSA-N 1 0 359.430 0.385 50 0 FCAARO CCc1cc(C(=O)N2CCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc(=O)[nH]1 ZINC000223665977 488449037 /nfs/dbraw/zinc/44/90/37/488449037.db2.gz GDKHGZPUKUJHRG-INIZCTEOSA-N 1 0 359.430 0.385 50 0 FCAARO CCNC(=O)c1ccc(N2CCn3nc([C@H](O)C[NH+](C)C)cc3C2)nc1 ZINC000230562313 488452327 /nfs/dbraw/zinc/45/23/27/488452327.db2.gz FGWZUICVEYIQLO-MRXNPFEDSA-N 1 0 358.446 0.643 50 0 FCAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000237320144 488454971 /nfs/dbraw/zinc/45/49/71/488454971.db2.gz UJDQBGIVJMUVMD-LLVKDONJSA-N 1 0 364.464 0.849 50 0 FCAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H]1C[NH3+] ZINC000237558027 488456079 /nfs/dbraw/zinc/45/60/79/488456079.db2.gz YUMVGJBHBHCNMX-IUODEOHRSA-N 1 0 360.501 0.979 50 0 FCAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H]1C[NH3+] ZINC000237558586 488456359 /nfs/dbraw/zinc/45/63/59/488456359.db2.gz LEZZQYCARQGKJS-ZWNOBZJWSA-N 1 0 364.464 0.977 50 0 FCAARO C[C@@H](NC(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)NCC[NH+]1CCCCC1 ZINC000241564160 488459783 /nfs/dbraw/zinc/45/97/83/488459783.db2.gz ORYBVNVFIZKBNS-HRCADAONSA-N 1 0 366.506 0.883 50 0 FCAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000243914684 488460052 /nfs/dbraw/zinc/46/00/52/488460052.db2.gz BJJCTDLRVVFRLB-ZDUSSCGKSA-N 1 0 352.866 0.822 50 0 FCAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091321889 488462877 /nfs/dbraw/zinc/46/28/77/488462877.db2.gz QJKHPTKNIPZPEM-PBHICJAKSA-N 1 0 360.458 0.521 50 0 FCAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)C(F)(F)F)CC1 ZINC000244942713 488463042 /nfs/dbraw/zinc/46/30/42/488463042.db2.gz CWCFWFCXWAZFRM-GFCCVEGCSA-N 1 0 355.401 0.459 50 0 FCAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nc(C(N)=O)no1)C2 ZINC000091665219 488467811 /nfs/dbraw/zinc/46/78/11/488467811.db2.gz SHENIYAOCUSMOU-QWHCGFSZSA-N 1 0 360.418 0.870 50 0 FCAARO CC(=O)N[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1c1ccc(C)o1 ZINC000091664968 488467838 /nfs/dbraw/zinc/46/78/38/488467838.db2.gz QJYDTRKEJUZPDM-GJZGRUSLSA-N 1 0 357.476 0.773 50 0 FCAARO O=C(N[C@H]1CCOC1)c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC000091713876 488468647 /nfs/dbraw/zinc/46/86/47/488468647.db2.gz UYCGYMJOKLSYAL-AWEZNQCLSA-N 1 0 353.444 0.236 50 0 FCAARO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)C[C@@H]1CO ZINC000091746821 488469109 /nfs/dbraw/zinc/46/91/09/488469109.db2.gz WGYJDGUOSRRGLP-CHWSQXEVSA-N 1 0 356.444 0.248 50 0 FCAARO CSCC(=O)N1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000091769753 488469795 /nfs/dbraw/zinc/46/97/95/488469795.db2.gz UGIXPACFVKDIJE-UHFFFAOYSA-N 1 0 366.535 0.632 50 0 FCAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(c1nnnn1-c1ccccc1)CC2 ZINC000091847598 488470937 /nfs/dbraw/zinc/47/09/37/488470937.db2.gz MAJHXMMGPPSABM-SJORKVTESA-N 1 0 372.473 0.960 50 0 FCAARO Cc1cc2c(cc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1)OCCO2 ZINC000091951103 488471961 /nfs/dbraw/zinc/47/19/61/488471961.db2.gz PSGAJYNOIPNTAH-HUUCEWRRSA-N 1 0 364.442 0.371 50 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357.520 0.629 50 0 FCAARO C[NH+](C)CCN1CCC(NC(=O)NC[C@H](O)c2cccc(O)c2)CC1 ZINC000823698131 836516783 /nfs/dbraw/zinc/51/67/83/836516783.db2.gz JXNZWRHMRCXMCV-KRWDZBQOSA-N 1 0 350.463 0.751 50 0 FCAARO COc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000824742927 836524023 /nfs/dbraw/zinc/52/40/23/836524023.db2.gz YUEYEGPMHGTNBS-UHFFFAOYSA-N 1 0 365.459 0.064 50 0 FCAARO CN1CC(=O)N(c2cccc(NC(=O)NC[C@@]3(O)CCC[NH2+]C3)c2)C1=O ZINC000299760220 530047067 /nfs/dbraw/zinc/04/70/67/530047067.db2.gz OXVBGVVXNVHSOY-QGZVFWFLSA-N 1 0 361.402 0.321 50 0 FCAARO C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@H]1C[NH3+] ZINC000299739487 223077520 /nfs/dbraw/zinc/07/75/20/223077520.db2.gz OYMZGNVXXLDXFP-ZANVPECISA-N 1 0 352.416 0.789 50 0 FCAARO Cc1nc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1C ZINC000299759706 223082985 /nfs/dbraw/zinc/08/29/85/223082985.db2.gz OGRFDTPMVSZCGU-MRXNPFEDSA-N 1 0 370.457 0.718 50 0 FCAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCN(C(C)=O)C[C@H](O)C2)c1 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O=S(=O)(NC[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000072435857 488380982 /nfs/dbraw/zinc/38/09/82/488380982.db2.gz FHUOIABWKPUTOU-JOYOIKCWSA-N 1 0 354.350 0.834 50 0 FCAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+](C)C)C2)cc1 ZINC000072442466 488381163 /nfs/dbraw/zinc/38/11/63/488381163.db2.gz JJXWZFFJOPHHGP-CQSZACIVSA-N 1 0 369.487 0.774 50 0 FCAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000072446742 488381170 /nfs/dbraw/zinc/38/11/70/488381170.db2.gz LNOJTKGLLYOOJH-OAHLLOKOSA-N 1 0 374.551 0.743 50 0 FCAARO Cc1nc(CC(=O)N2CCOC[C@@H]2CC(=O)NCCC[NH+](C)C)cs1 ZINC000072462822 488381438 /nfs/dbraw/zinc/38/14/38/488381438.db2.gz YWRXIPYCSWIHDJ-HNNXBMFYSA-N 1 0 368.503 0.679 50 0 FCAARO CO[C@H]1[C@H](NC(=O)CN2CCOC2=O)c2ccccc2C12CC[NH2+]CC2 ZINC000072474598 488381505 /nfs/dbraw/zinc/38/15/05/488381505.db2.gz VEJSSIITLGMJEE-SJORKVTESA-N 1 0 359.426 0.946 50 0 FCAARO COc1cc(-n2cnnn2)ccc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072463880 488381542 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FCAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000077379194 488412121 /nfs/dbraw/zinc/41/21/21/488412121.db2.gz KWJCZQPDHDNWDB-SFHVURJKSA-N 1 0 368.485 0.888 50 0 FCAARO CN1CC2(CCN(C(=O)[C@@H]3CCCN3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388944 488412134 /nfs/dbraw/zinc/41/21/34/488412134.db2.gz AYBCONSEHIBYOV-HNNXBMFYSA-N 1 0 350.463 0.646 50 0 FCAARO C[NH+](C)CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 ZINC000077393912 488412737 /nfs/dbraw/zinc/41/27/37/488412737.db2.gz RLCKKBNVDXJLHT-OAHLLOKOSA-N 1 0 367.471 0.200 50 0 FCAARO CN(Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)o1)S(C)(=O)=O ZINC000077407861 488412751 /nfs/dbraw/zinc/41/27/51/488412751.db2.gz BWYJCGLYAJRTDH-QWHCGFSZSA-N 1 0 355.460 0.724 50 0 FCAARO C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C[NH+](C)C)CC2 ZINC000077422047 488412907 /nfs/dbraw/zinc/41/29/07/488412907.db2.gz BPERZRLHPSKTHB-CYBMUJFWSA-N 1 0 369.487 0.182 50 0 FCAARO Cc1ccc2nc(CNC(=O)c3cn(CCN4CC[NH2+]CC4)nn3)cn2c1 ZINC000077425938 488413095 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221274592 /nfs/dbraw/zinc/27/45/92/221274592.db2.gz KNHKGUIFJDTNCJ-SFHVURJKSA-N 1 0 353.438 0.839 50 0 FCAARO COCCN1CCC[C@](O)(C[NH+]2CCN(c3ncccc3C)CC2)C1=O ZINC000067818728 221290168 /nfs/dbraw/zinc/29/01/68/221290168.db2.gz MMZVGHADFWRHRC-IBGZPJMESA-N 1 0 362.474 0.512 50 0 FCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000067772619 221282919 /nfs/dbraw/zinc/28/29/19/221282919.db2.gz NGCSOYVDVCSDMW-AAEUAGOBSA-N 1 0 352.822 0.731 50 0 FCAARO CNC(=O)CN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C1=O ZINC000067783955 221284994 /nfs/dbraw/zinc/28/49/94/221284994.db2.gz DQHXFAIZWMAMPS-IBGZPJMESA-N 1 0 358.442 0.655 50 0 FCAARO O=C(CCO)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000067821744 221290589 /nfs/dbraw/zinc/29/05/89/221290589.db2.gz BYSRRXIDGQASRB-QGZVFWFLSA-N 1 0 374.485 0.783 50 0 FCAARO O=C(NCC1(CN2CCOCC2)CC1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067842610 221292616 /nfs/dbraw/zinc/29/26/16/221292616.db2.gz KEIVWVSAMFZWPV-HNNXBMFYSA-N 1 0 362.478 0.120 50 0 FCAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000067866887 221297042 /nfs/dbraw/zinc/29/70/42/221297042.db2.gz JMFHOJJIHFKHCH-CQSZACIVSA-N 1 0 373.461 0.436 50 0 FCAARO CC(C)[C@H](NC(=O)Cn1nc2ccccc2n1)c1nnc2n1CC[NH2+]CC2 ZINC000067878604 221300015 /nfs/dbraw/zinc/30/00/15/221300015.db2.gz VFQMKCUXUUTBFN-KRWDZBQOSA-N 1 0 368.445 0.682 50 0 FCAARO O=C(NCc1cccnc1-n1cncn1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067894172 221301639 /nfs/dbraw/zinc/30/16/39/221301639.db2.gz YXENELCOLNXMPH-CYBMUJFWSA-N 1 0 367.417 0.183 50 0 FCAARO CC(C)C[C@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CC[NH2+]CC2 ZINC000067833669 221291071 /nfs/dbraw/zinc/29/10/71/221291071.db2.gz LOWHTXGYOKYVFU-AWEZNQCLSA-N 1 0 358.446 0.640 50 0 FCAARO CNC(=O)c1[nH]nc2c1CN(c1cc([C@@H]3CCC[NH2+]C3)nc(C)n1)CC2 ZINC000067982377 221312060 /nfs/dbraw/zinc/31/20/60/221312060.db2.gz LTQXZWOWCBJLLX-GFCCVEGCSA-N 1 0 355.446 0.897 50 0 FCAARO CNC(=O)C[NH2+]C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067908396 221304371 /nfs/dbraw/zinc/30/43/71/221304371.db2.gz JWGAUNGDVDGKKM-QGZVFWFLSA-N 1 0 353.394 0.023 50 0 FCAARO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067954470 221308364 /nfs/dbraw/zinc/30/83/64/221308364.db2.gz UBFGYEMAMQEGJI-PBHICJAKSA-N 1 0 370.457 0.128 50 0 FCAARO COc1ccc([C@@H]2CN(C(=O)CNC(N)=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071439666 221349301 /nfs/dbraw/zinc/34/93/01/221349301.db2.gz OXOPHJQJLBGYLL-CGTJXYLNSA-N 1 0 358.442 0.752 50 0 FCAARO [NH3+][C@@H](CCCCO)C(=O)N1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000071746878 221359642 /nfs/dbraw/zinc/35/96/42/221359642.db2.gz SIWRZZPJKLFICU-AWEZNQCLSA-N 1 0 357.414 0.207 50 0 FCAARO CCc1cc(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000077392371 132183371 /nfs/dbraw/zinc/18/33/71/132183371.db2.gz RKZRLYJIQGWDOL-GDBMZVCRSA-N 1 0 370.457 0.870 50 0 FCAARO C[N@@H+]1CCN(c2cc(C3CC3)ncn2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000091643891 132202640 /nfs/dbraw/zinc/20/26/40/132202640.db2.gz LWZRTIQPUDZNGQ-IBGZPJMESA-N 1 0 359.474 0.849 50 0 FCAARO Cc1nc(N)nc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000095502509 132212290 /nfs/dbraw/zinc/21/22/90/132212290.db2.gz HQWVSBBJHOUJOC-LLVKDONJSA-N 1 0 359.883 0.766 50 0 FCAARO Cc1cccc(N2CCN(C(=O)CN3CC4(CC[NH2+]CC4)OC3=O)CC2)n1 ZINC000095509080 132212786 /nfs/dbraw/zinc/21/27/86/132212786.db2.gz QCBPKTISEBCMCM-UHFFFAOYSA-N 1 0 373.457 0.613 50 0 FCAARO C[N@@H+]1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107401926 132241478 /nfs/dbraw/zinc/24/14/78/132241478.db2.gz MZWGJWUTDZXPTN-LJQANCHMSA-N 1 0 372.473 0.503 50 0 FCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000037811365 132246687 /nfs/dbraw/zinc/24/66/87/132246687.db2.gz NBGNNFODCUEHKE-NWDGAFQWSA-N 1 0 355.236 0.216 50 0 FCAARO O=C([C@@H]1COCCN1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237960738 132248917 /nfs/dbraw/zinc/24/89/17/132248917.db2.gz ISEYPWCWDZXKSH-MSOLQXFVSA-N 1 0 373.501 0.431 50 0 FCAARO COc1cccc(N2CCC([NH2+][C@@H]3COCC[C@@H]3OCC(N)=O)CC2)c1 ZINC000219722371 132274706 /nfs/dbraw/zinc/27/47/06/132274706.db2.gz IWTNBSKAERCLFY-MSOLQXFVSA-N 1 0 363.458 0.913 50 0 FCAARO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000241515501 132289375 /nfs/dbraw/zinc/28/93/75/132289375.db2.gz OFVJVHJLVWZFQP-YOEHRIQHSA-N 1 0 351.447 0.320 50 0 FCAARO COc1ccnc(N2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)n1 ZINC000244691828 132290289 /nfs/dbraw/zinc/29/02/89/132290289.db2.gz JJWKIGHLUTVSNH-TXEJJXNPSA-N 1 0 356.434 0.389 50 0 FCAARO Cc1nc(CC[NH3+])cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000039420743 132301215 /nfs/dbraw/zinc/30/12/15/132301215.db2.gz BCYHCHSFWBSYRU-UHFFFAOYSA-N 1 0 361.471 0.797 50 0 FCAARO NC(=O)c1cccnc1N1CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063855308 136133012 /nfs/dbraw/zinc/13/30/12/136133012.db2.gz AQFXSNOWRNYHIP-YLJYHZDGSA-N 1 0 373.501 0.682 50 0 FCAARO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000066344325 136136930 /nfs/dbraw/zinc/13/69/30/136136930.db2.gz FAZXSMKMIHKXNQ-AWEZNQCLSA-N 1 0 366.487 0.274 50 0 FCAARO Nc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071762271 136140669 /nfs/dbraw/zinc/14/06/69/136140669.db2.gz PECGNYSQIHUXTB-OAHLLOKOSA-N 1 0 374.489 0.598 50 0 FCAARO C[NH+](C)CCN1C[C@]2(CCCN(c3cc(C(N)=O)ccn3)C2)CCC1=O ZINC000072426446 136146489 /nfs/dbraw/zinc/14/64/89/136146489.db2.gz OADSZSJVBBQRIB-LJQANCHMSA-N 1 0 359.474 0.951 50 0 FCAARO O=C(NCC1CC[NH2+]CC1)c1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000091691228 221783785 /nfs/dbraw/zinc/78/37/85/221783785.db2.gz CNZXEDUKOQHEIB-UHFFFAOYSA-N 1 0 361.414 0.959 50 0 FCAARO O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000091746952 221791847 /nfs/dbraw/zinc/79/18/47/221791847.db2.gz ZMSYVVFHRVDYEF-SOUVJXGZSA-N 1 0 365.455 0.330 50 0 FCAARO CC(C)Nc1ncc(CN2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000095370675 221872282 /nfs/dbraw/zinc/87/22/82/221872282.db2.gz SUHMPIYMELJVBJ-QZTJIDSGSA-N 1 0 362.522 0.585 50 0 FCAARO c1cc(CN2CC[NH+](C[C@@H]3CN=C(N4CCOCC4)S3)CC2)no1 ZINC000095442014 221903116 /nfs/dbraw/zinc/90/31/16/221903116.db2.gz KAHGLPOEKXDYFX-HNNXBMFYSA-N 1 0 351.476 0.596 50 0 FCAARO CC[NH+]1CCC(CC(=O)N2CCO[C@H](c3nnnn3CCOC)C2)CC1 ZINC000097553189 222190684 /nfs/dbraw/zinc/19/06/84/222190684.db2.gz MRGMIUZPERFNHP-HNNXBMFYSA-N 1 0 366.466 0.341 50 0 FCAARO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1Cn1cncn1 ZINC000097527232 222187841 /nfs/dbraw/zinc/18/78/41/222187841.db2.gz AWMJYLRNFJKJRR-GASCZTMLSA-N 1 0 355.398 0.382 50 0 FCAARO O=C(c1cccc(S(=O)(=O)NCc2cccnc2)c1)N1CCC[NH2+]CC1 ZINC000097743528 222209907 /nfs/dbraw/zinc/20/99/07/222209907.db2.gz OPXNNPWIDKZBOJ-UHFFFAOYSA-N 1 0 374.466 0.996 50 0 FCAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000426358300 263563322 /nfs/dbraw/zinc/56/33/22/263563322.db2.gz KXAIWIUYYJPDRN-CQSZACIVSA-N 1 0 366.849 0.324 50 0 FCAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3cccc(Cl)c3)c2c(=O)[nH]c1=O ZINC000004316573 487476172 /nfs/dbraw/zinc/47/61/72/487476172.db2.gz RIXBNZUNWVFIMB-UHFFFAOYSA-N 1 0 374.832 0.535 50 0 FCAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000004316572 487476174 /nfs/dbraw/zinc/47/61/74/487476174.db2.gz VNZFXVYAMLNYCW-UHFFFAOYSA-N 1 0 358.377 0.020 50 0 FCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004850565 487482549 /nfs/dbraw/zinc/48/25/49/487482549.db2.gz NDOAMXXTBWAWPD-UHFFFAOYSA-N 1 0 358.442 0.918 50 0 FCAARO CCCCN(C(=O)CSC(N)=[NH2+])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000006654686 487497297 /nfs/dbraw/zinc/49/72/97/487497297.db2.gz SNCDMTHEVIZQLB-UHFFFAOYSA-N 1 0 370.479 0.535 50 0 FCAARO CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](CC)CC3)=N2)cc1 ZINC000005790804 487491744 /nfs/dbraw/zinc/49/17/44/487491744.db2.gz FLADRWREEAAIDJ-MRXNPFEDSA-N 1 0 373.457 0.906 50 0 FCAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CNC(C)=O)CC1 ZINC000012054998 487548517 /nfs/dbraw/zinc/54/85/17/487548517.db2.gz VVYQEXHVCUNMJJ-QGZVFWFLSA-N 1 0 355.479 0.489 50 0 FCAARO COC(=O)c1sccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022935508 487626633 /nfs/dbraw/zinc/62/66/33/487626633.db2.gz IOWCVQLPNYAYFY-UHFFFAOYSA-N 1 0 368.459 0.227 50 0 FCAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000022938861 487627626 /nfs/dbraw/zinc/62/76/26/487627626.db2.gz BPYDJPUNMZTYLQ-SFHVURJKSA-N 1 0 374.485 0.944 50 0 FCAARO CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000025359594 487664471 /nfs/dbraw/zinc/66/44/71/487664471.db2.gz RCDWZVKSZWBVSI-QGZVFWFLSA-N 1 0 365.499 0.797 50 0 FCAARO COCCNC(=O)CCN(CC[NH+]1CCCCC1)C(=O)c1cnccn1 ZINC000035819298 487798837 /nfs/dbraw/zinc/79/88/37/487798837.db2.gz CWULFJSIPQMKME-UHFFFAOYSA-N 1 0 363.462 0.557 50 0 FCAARO C[NH+](C)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000072133739 488377811 /nfs/dbraw/zinc/37/78/11/488377811.db2.gz JSQSARKIXUZHCN-MRXNPFEDSA-N 1 0 350.438 0.584 50 0 FCAARO Cn1cnnc1Sc1ccc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)o1 ZINC000072133098 488377911 /nfs/dbraw/zinc/37/79/11/488377911.db2.gz FKAOPKCEVDARNJ-INIZCTEOSA-N 1 0 365.459 0.750 50 0 FCAARO Cc1cccnc1CC[NH2+][C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000072137364 488377921 /nfs/dbraw/zinc/37/79/21/488377921.db2.gz PFCFYGHLEHDDSO-QZTJIDSGSA-N 1 0 361.467 0.956 50 0 FCAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072148864 488378215 /nfs/dbraw/zinc/37/82/15/488378215.db2.gz HLVTVFAAHZWTLP-OAHLLOKOSA-N 1 0 367.471 0.623 50 0 FCAARO O=C(CN1C(=O)CNC1=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072156641 488378452 /nfs/dbraw/zinc/37/84/52/488378452.db2.gz DCSNYCLDPLLSKU-INIZCTEOSA-N 1 0 356.426 0.240 50 0 FCAARO NC(=O)NCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072167581 488379046 /nfs/dbraw/zinc/37/90/46/488379046.db2.gz QYLUOSXOEMEEMG-FSPWUOQZSA-N 1 0 372.425 0.472 50 0 FCAARO CS(=O)(=O)c1cnc(NCCc2c[nH]cn2)nc1[C@H]1CCC[NH2+]C1 ZINC000072407752 488380030 /nfs/dbraw/zinc/38/00/30/488380030.db2.gz RUWZRHIXMHWTBO-NSHDSACASA-N 1 0 350.448 0.725 50 0 FCAARO COc1ccc([C@@H]([NH3+])CC(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc1OC ZINC000072422588 488380312 /nfs/dbraw/zinc/38/03/12/488380312.db2.gz NXHHVQLEIBFOGX-NPJQDHAYSA-N 1 0 364.442 0.684 50 0 FCAARO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072426491 488380516 /nfs/dbraw/zinc/38/05/16/488380516.db2.gz LLIZKYNXEJSVIR-CQSZACIVSA-N 1 0 365.499 0.973 50 0 FCAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000072428062 488380609 /nfs/dbraw/zinc/38/06/09/488380609.db2.gz AROOOJAZOWNRQB-UHFFFAOYSA-N 1 0 357.414 0.055 50 0 FCAARO CS(=O)(=O)c1cnc(NCCN2CCCC2=O)nc1[C@@H]1CCC[NH2+]C1 ZINC000072431096 488380874 /nfs/dbraw/zinc/38/08/74/488380874.db2.gz HANQUGXBALZVHG-GFCCVEGCSA-N 1 0 367.475 0.381 50 0 FCAARO CC[NH+]1CCN(Cc2cc3n(n2)CCN(C(=O)COCCOC)C3)CC1 ZINC000072448299 488381099 /nfs/dbraw/zinc/38/10/99/488381099.db2.gz DNEMMOXNTRFXMV-UHFFFAOYSA-N 1 0 365.478 0.026 50 0 FCAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000072447606 488381235 /nfs/dbraw/zinc/38/12/35/488381235.db2.gz DHCLGXIXQJNVBM-UHFFFAOYSA-N 1 0 366.429 0.458 50 0 FCAARO Cc1cc(=O)[nH]c(NCCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)n1 ZINC000072462503 488381350 /nfs/dbraw/zinc/38/13/50/488381350.db2.gz VLHYLMKMIBQBSG-UHFFFAOYSA-N 1 0 355.446 0.958 50 0 FCAARO COC(=O)CCn1cc(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cn1 ZINC000072470778 488381472 /nfs/dbraw/zinc/38/14/72/488381472.db2.gz XRIOWXMKSALJSL-KRWDZBQOSA-N 1 0 350.463 0.867 50 0 FCAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)CCN3CCCCO3)CC[C@H]21 ZINC000072474772 488381517 /nfs/dbraw/zinc/38/15/17/488381517.db2.gz LUOOUNXYEDXIDP-JKSUJKDBSA-N 1 0 352.479 0.592 50 0 FCAARO COC(=O)CCn1cc(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cn1 ZINC000072470779 488381538 /nfs/dbraw/zinc/38/15/38/488381538.db2.gz XRIOWXMKSALJSL-QGZVFWFLSA-N 1 0 350.463 0.867 50 0 FCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CC[C@H]21 ZINC000072469818 488381624 /nfs/dbraw/zinc/38/16/24/488381624.db2.gz LCFGRIVOXZRDNO-GOEBONIOSA-N 1 0 374.489 0.277 50 0 FCAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000072474992 488381812 /nfs/dbraw/zinc/38/18/12/488381812.db2.gz UEARTZVLRGTCLH-INIZCTEOSA-N 1 0 356.426 0.131 50 0 FCAARO CNC(=O)[C@H]1CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 ZINC000072478575 488382003 /nfs/dbraw/zinc/38/20/03/488382003.db2.gz NZCAVTBVNHVKHU-AWEZNQCLSA-N 1 0 352.442 0.799 50 0 FCAARO O=C(c1cccnc1N1CCOC[C@](O)(C[NH+]2CCCC2)C1)N1CCCC1 ZINC000077297756 488410476 /nfs/dbraw/zinc/41/04/76/488410476.db2.gz UXZRKJKPPLLCHM-FQEVSTJZSA-N 1 0 374.485 0.981 50 0 FCAARO CN(CC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1)Cc1ccccn1 ZINC000077355875 488411720 /nfs/dbraw/zinc/41/17/20/488411720.db2.gz IGLCOBYBNPKZIG-IBGZPJMESA-N 1 0 362.474 0.199 50 0 FCAARO C[N@H+](Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)CC(C)(C)C ZINC000077385153 488412080 /nfs/dbraw/zinc/41/20/80/488412080.db2.gz XRMPASVWNKYFHX-CQSZACIVSA-N 1 0 351.447 0.998 50 0 FCAARO CN(C)C(=O)CC[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077380292 488412102 /nfs/dbraw/zinc/41/21/02/488412102.db2.gz WCAURSTXFZUIOO-UHFFFAOYSA-N 1 0 364.494 0.305 50 0 FCAARO Cc1cc(C)n(CC(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c(=O)n1 ZINC000077406078 488412430 /nfs/dbraw/zinc/41/24/30/488412430.db2.gz LJQJEPYWLVLLEU-MRXNPFEDSA-N 1 0 362.474 0.819 50 0 FCAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CCOCCO)C3)CCC2=O)cn1 ZINC000077472511 488414391 /nfs/dbraw/zinc/41/43/91/488414391.db2.gz BYKNEZIFPFPSIJ-IBGZPJMESA-N 1 0 362.474 0.999 50 0 FCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)nn1 ZINC000077470622 488414408 /nfs/dbraw/zinc/41/44/08/488414408.db2.gz MIRUPWOSRMLZCL-CYBMUJFWSA-N 1 0 368.401 0.702 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000193351869 488426995 /nfs/dbraw/zinc/42/69/95/488426995.db2.gz PALICWZADJIZRJ-LBPRGKRZSA-N 1 0 351.432 0.424 50 0 FCAARO Cn1c(=O)[nH]cc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c1=O ZINC000216081160 488441181 /nfs/dbraw/zinc/44/11/81/488441181.db2.gz ZIXNANGDNBKPIG-KRWDZBQOSA-N 1 0 370.453 0.960 50 0 FCAARO Cc1cc(=O)[nH]c(SCC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC000216148411 488441313 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0.626 50 0 FCAARO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237343302 488455124 /nfs/dbraw/zinc/45/51/24/488455124.db2.gz ARYTWHSUCGUCPP-KBPBESRZSA-N 1 0 366.487 0.371 50 0 FCAARO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000237682472 488456633 /nfs/dbraw/zinc/45/66/33/488456633.db2.gz UYQDWVVQNWRCHY-SWLSCSKDSA-N 1 0 365.459 0.800 50 0 FCAARO Cc1c(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cnc2ccnn21 ZINC000091270369 488462404 /nfs/dbraw/zinc/46/24/04/488462404.db2.gz YVNRTTQLXAEPHS-CABCVRRESA-N 1 0 359.430 0.369 50 0 FCAARO O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCc2ncccc2C1 ZINC000091650663 488467221 /nfs/dbraw/zinc/46/72/21/488467221.db2.gz RNMBIZMKHJAKGT-JKSUJKDBSA-N 1 0 358.442 0.051 50 0 FCAARO CNc1ncc(C(=O)N2C[C@@H](CO)C[C@H](C[N@H+](C)CCOC)C2)cn1 ZINC000091694214 488467706 /nfs/dbraw/zinc/46/77/06/488467706.db2.gz YIQGYPZKABKAFV-KGLIPLIRSA-N 1 0 351.451 0.167 50 0 FCAARO [NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091691651 488467776 /nfs/dbraw/zinc/46/77/76/488467776.db2.gz LUEWRYXMCXQRBL-KRWDZBQOSA-N 1 0 374.485 0.565 50 0 FCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(C)n1C ZINC000091665538 488467922 /nfs/dbraw/zinc/46/79/22/488467922.db2.gz BOXZLOMAPBNGQJ-QZTJIDSGSA-N 1 0 362.518 0.960 50 0 FCAARO OC[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)nc2)C[C@H]1CN1CCOCC1 ZINC000091746827 488468956 /nfs/dbraw/zinc/46/89/56/488468956.db2.gz VTSFLAGTNFERFH-QZTJIDSGSA-N 1 0 369.469 0.911 50 0 FCAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CN1CCc3ccccc3C1)CC2 ZINC000091747096 488469249 /nfs/dbraw/zinc/46/92/49/488469249.db2.gz KXZLLEWXHHEENH-MOPGFXCFSA-N 1 0 373.497 0.762 50 0 FCAARO CN(Cc1cc[nH]n1)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000091782378 488469772 /nfs/dbraw/zinc/46/97/72/488469772.db2.gz FFWPUGYICUASPN-CYBMUJFWSA-N 1 0 363.443 0.404 50 0 FCAARO Cc1nnsc1C(=O)N1C[C@@H](CO)C[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091817511 488470108 /nfs/dbraw/zinc/47/01/08/488470108.db2.gz SDALTEUBTWGUNL-CABCVRRESA-N 1 0 367.519 0.555 50 0 FCAARO Cc1c(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)[nH]nc1-c1ccccc1 ZINC000091807541 488470219 /nfs/dbraw/zinc/47/02/19/488470219.db2.gz AOSLVJFEGJDSSD-IAGOWNOFSA-N 1 0 372.469 0.990 50 0 FCAARO CN(Cc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3O)o1)S(C)(=O)=O ZINC000091915110 488472059 /nfs/dbraw/zinc/47/20/59/488472059.db2.gz GIAGWGBUKQYCIL-GASCZTMLSA-N 1 0 358.460 0.379 50 0 FCAARO C[N@@H+]1CCN(C(=O)Cc2ccccc2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000091964781 488472371 /nfs/dbraw/zinc/47/23/71/488472371.db2.gz DJRGKRQXPKFFQL-HXUWFJFHSA-N 1 0 359.470 0.747 50 0 FCAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCCn3cnnn3)CC2)n1C ZINC000091987768 488472645 /nfs/dbraw/zinc/47/26/45/488472645.db2.gz KRUJQYCCEAKCGV-UHFFFAOYSA-N 1 0 370.465 0.625 50 0 FCAARO O=C(CCN1CCCCC1=O)N[C@H]1C[N@@H+](CCO)C[C@@H]1c1ccccc1 ZINC000092037441 488473045 /nfs/dbraw/zinc/47/30/45/488473045.db2.gz SGWBNCFXLYEHTH-MSOLQXFVSA-N 1 0 359.470 0.966 50 0 FCAARO CC(=O)c1cc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cs1 ZINC000095364690 488481854 /nfs/dbraw/zinc/48/18/54/488481854.db2.gz UPPRPIWBGVWHFK-HZPDHXFCSA-N 1 0 365.499 0.879 50 0 FCAARO Cn1c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2nc1N1CCOCC1 ZINC000095371878 488482173 /nfs/dbraw/zinc/48/21/73/488482173.db2.gz MBGXCQGOKSACHE-WMLDXEAASA-N 1 0 355.442 0.844 50 0 FCAARO COCCN1CC[C@]2(CN(C(=O)c3ccccn3)CC[N@@H+]2C)CCC1=O ZINC000095373798 488482386 /nfs/dbraw/zinc/48/23/86/488482386.db2.gz UOIJDZNMEIRVCM-IBGZPJMESA-N 1 0 360.458 0.867 50 0 FCAARO CCOCCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000095386865 488483275 /nfs/dbraw/zinc/48/32/75/488483275.db2.gz GMIMUCACAYRXIJ-CQSZACIVSA-N 1 0 355.460 0.483 50 0 FCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(Oc3cccnc3)CC2)CC1=O ZINC000095386357 488483616 /nfs/dbraw/zinc/48/36/16/488483616.db2.gz SEZYJYKFAHSLJP-HNNXBMFYSA-N 1 0 360.458 0.862 50 0 FCAARO COc1ccc([C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2[NH+](C)C)cc1 ZINC000095499567 488484919 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COc1ccc([C@H]2CN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@@H]2[NH3+])cc1 ZINC000091782123 221796799 /nfs/dbraw/zinc/79/67/99/221796799.db2.gz MOLMDJYHHJJRNM-SJORKVTESA-N 1 0 356.426 0.822 50 0 FCAARO COCCCN1C(=O)N(CCn2cnnc2C)C(=O)C12CC[NH2+]CC2 ZINC000095390565 221897996 /nfs/dbraw/zinc/89/79/96/221897996.db2.gz SSTBJDRSCQLZBI-UHFFFAOYSA-N 1 0 350.423 0.009 50 0 FCAARO CC(C)c1nc(CCN(C)C(=O)CN2CC3(CC[NH2+]CC3)OC2=O)no1 ZINC000095504037 221930324 /nfs/dbraw/zinc/93/03/24/221930324.db2.gz JLIQNVHSYXLAKS-UHFFFAOYSA-N 1 0 365.434 0.768 50 0 FCAARO O=C([O-])[C@]12C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096135803 222039449 /nfs/dbraw/zinc/03/94/49/222039449.db2.gz RECMOMQOJQHJNL-WIYYLYMNSA-N 1 0 373.497 0.962 50 0 FCAARO O=C(NCc1cc(C2CC2)on1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096136992 222041263 /nfs/dbraw/zinc/04/12/63/222041263.db2.gz HGRQTEKPHYNBEL-KGLIPLIRSA-N 1 0 362.430 0.253 50 0 FCAARO CC[N@@H+]1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3cccnc3)CC2)C1 ZINC000097117452 222161715 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O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1nnc(-c2ccncc2)[nH]1 ZINC000426544621 263628619 /nfs/dbraw/zinc/62/86/19/263628619.db2.gz CKGWGLCOTSDQEQ-CQSZACIVSA-N 1 0 366.429 0.847 50 0 FCAARO C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CCOCC1 ZINC000004959243 487483819 /nfs/dbraw/zinc/48/38/19/487483819.db2.gz LMKTWSPAIZFSIE-UKRRQHHQSA-N 1 0 368.503 0.304 50 0 FCAARO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006985787 487500088 /nfs/dbraw/zinc/50/00/88/487500088.db2.gz FGJDISPUMQOWKO-GFCCVEGCSA-N 1 0 373.438 0.860 50 0 FCAARO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328643749 488925785 /nfs/dbraw/zinc/92/57/85/488925785.db2.gz AKAHAIFHGBBHPA-ZNMIVQPWSA-N 1 0 351.447 0.917 50 0 FCAARO COCCNC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCCCCC1 ZINC000011898728 487546228 /nfs/dbraw/zinc/54/62/28/487546228.db2.gz VCNZYZXSTYYLSU-INIZCTEOSA-N 1 0 350.463 0.821 50 0 FCAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CNC(C)=O)CC1 ZINC000012054995 487547790 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O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000040153363 487812438 /nfs/dbraw/zinc/81/24/38/487812438.db2.gz CPKQRIQXOFXYRQ-KRWDZBQOSA-N 1 0 358.442 0.833 50 0 FCAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CSCC(N)=O)cc2)CC1 ZINC000046939846 488000086 /nfs/dbraw/zinc/00/00/86/488000086.db2.gz FYWQXMYOGFFLBM-UHFFFAOYSA-N 1 0 350.488 0.981 50 0 FCAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000049762626 488101550 /nfs/dbraw/zinc/10/15/50/488101550.db2.gz AXZXJYAYKLHFNT-JKSUJKDBSA-N 1 0 374.441 0.649 50 0 FCAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(S(=O)(=O)c1cnoc1C)C2 ZINC000072121753 488377673 /nfs/dbraw/zinc/37/76/73/488377673.db2.gz LVCSUTWMOVWAIV-HIFRSBDPSA-N 1 0 357.432 0.679 50 0 FCAARO CC(=O)Nc1cccc(S(=O)(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072145094 488378053 /nfs/dbraw/zinc/37/80/53/488378053.db2.gz ZXVZSVJVYKSAPG-AWEZNQCLSA-N 1 0 355.460 0.844 50 0 FCAARO [NH3+]CC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072147255 488378252 /nfs/dbraw/zinc/37/82/52/488378252.db2.gz ZKBMJRRRSMCBFL-MRXNPFEDSA-N 1 0 360.458 0.483 50 0 FCAARO Cc1ccc(=O)n(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)n1 ZINC000072157202 488378457 /nfs/dbraw/zinc/37/84/57/488378457.db2.gz QQDAINOFVGLHFK-MOPGFXCFSA-N 1 0 368.437 0.486 50 0 FCAARO CN(C(=O)Cn1nnnc1N)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072152782 488378517 /nfs/dbraw/zinc/37/85/17/488378517.db2.gz GPBFQXPJCVEWOK-MRXNPFEDSA-N 1 0 357.462 0.811 50 0 FCAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC[NH+](C)C)c(F)c1 ZINC000072152107 488378621 /nfs/dbraw/zinc/37/86/21/488378621.db2.gz OZUBKFXCFCWBBC-INIZCTEOSA-N 1 0 366.437 0.203 50 0 FCAARO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC[NH+](C)C)c(F)c1 ZINC000072152106 488378636 /nfs/dbraw/zinc/37/86/36/488378636.db2.gz OZUBKFXCFCWBBC-MRXNPFEDSA-N 1 0 366.437 0.203 50 0 FCAARO O=C(NC1CC1)[C@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC000072165108 488378992 /nfs/dbraw/zinc/37/89/92/488378992.db2.gz JMHZNGCZSYMRFA-GOSISDBHSA-N 1 0 356.470 0.844 50 0 FCAARO Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c1 ZINC000072168051 488379117 /nfs/dbraw/zinc/37/91/17/488379117.db2.gz MVBOIHMCLGDLNC-SFHVURJKSA-N 1 0 358.446 0.890 50 0 FCAARO NC(=O)CC[N@@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163502 488379120 /nfs/dbraw/zinc/37/91/20/488379120.db2.gz GHEUJFUIIYIKRY-KRWDZBQOSA-N 1 0 374.485 0.873 50 0 FCAARO CN1CCN(c2ncnc3c2CC[N@H+](C[C@@H]2CCOC2)CC3)CCC1=O ZINC000072407715 488379920 /nfs/dbraw/zinc/37/99/20/488379920.db2.gz OAGMJAUWLMQHHH-HNNXBMFYSA-N 1 0 359.474 0.582 50 0 FCAARO C[N@@H+]1CCCN(c2ncnc3c2CCN(C(=O)[C@@H]2CCOC2)CC3)CC1 ZINC000072412359 488380217 /nfs/dbraw/zinc/38/02/17/488380217.db2.gz CWBISYMVEZPGNX-OAHLLOKOSA-N 1 0 359.474 0.582 50 0 FCAARO C[N@@H+]1CCCN(C(=O)[C@H]2CN(C(=O)NCc3ccco3)CCO2)CC1 ZINC000072421192 488380390 /nfs/dbraw/zinc/38/03/90/488380390.db2.gz CMHRMUPOEFVQKZ-OAHLLOKOSA-N 1 0 350.419 0.354 50 0 FCAARO O=C(CN1C(=O)CNC1=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072428384 488380615 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Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000077320338 488410890 /nfs/dbraw/zinc/41/08/90/488410890.db2.gz RFFKXKNZIKFBBK-ZDUSSCGKSA-N 1 0 350.467 0.091 50 0 FCAARO O=C(NCc1ccc(Cl)s1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077389171 488412266 /nfs/dbraw/zinc/41/22/66/488412266.db2.gz CNTCLRVNQZAVKF-UHFFFAOYSA-N 1 0 354.867 0.828 50 0 FCAARO Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077385338 488412321 /nfs/dbraw/zinc/41/23/21/488412321.db2.gz NWDCKWIANKMEDP-LJQANCHMSA-N 1 0 364.490 0.655 50 0 FCAARO O=C(COc1ccc(C[N@H+]2CCOC[C@@H](CO)C2)cc1)N1CCOCC1 ZINC000077408267 488412867 /nfs/dbraw/zinc/41/28/67/488412867.db2.gz RNYRWEMPWJQGBE-QGZVFWFLSA-N 1 0 364.442 0.365 50 0 FCAARO Cc1cnc(CN2C[C@]3(CCC[N@H+](CCOCCO)C3)CCC2=O)cn1 ZINC000077472514 488414378 /nfs/dbraw/zinc/41/43/78/488414378.db2.gz BYKNEZIFPFPSIJ-LJQANCHMSA-N 1 0 362.474 0.999 50 0 FCAARO [NH3+][C@@H](CO)C(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077521258 488415058 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VPIWAWDBIRRSNV-XMDUPGNXSA-N 1 0 357.410 0.709 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020566909 220333857 /nfs/dbraw/zinc/33/38/57/220333857.db2.gz VPIWAWDBIRRSNV-ZTENYAIWSA-N 1 0 357.410 0.709 50 0 FCAARO C[NH+](C)CCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021526983 220359345 /nfs/dbraw/zinc/35/93/45/220359345.db2.gz QZENPSLJEPHCMV-MRXNPFEDSA-N 1 0 358.442 0.311 50 0 FCAARO CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795919 220399375 /nfs/dbraw/zinc/39/93/75/220399375.db2.gz LOJWQCIBCMCTRH-INIZCTEOSA-N 1 0 350.438 0.755 50 0 FCAARO Cn1c(Cn2ccc(=[NH2+])cc2)c(C(=O)c2ccccc2)c(=O)n(C)c1=O ZINC000036354401 220812777 /nfs/dbraw/zinc/81/27/77/220812777.db2.gz DDZMJUZIGQLXNO-UHFFFAOYSA-N 1 0 350.378 0.644 50 0 FCAARO Cn1c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCCC3)cc2n(C)c1=O ZINC000050145549 221030329 /nfs/dbraw/zinc/03/03/29/221030329.db2.gz GFYMZZBPPLREKX-UHFFFAOYSA-N 1 0 373.457 0.806 50 0 FCAARO Cc1cccc(CN2CCN(C(=O)c3cn(CC[NH3+])nn3)[C@H](C)C2=O)c1 ZINC000055401110 221067997 /nfs/dbraw/zinc/06/79/97/221067997.db2.gz UGYLLMHGOPEEJS-CQSZACIVSA-N 1 0 356.430 0.418 50 0 FCAARO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000058019641 221097425 /nfs/dbraw/zinc/09/74/25/221097425.db2.gz KIQRCADZYCZELU-UHFFFAOYSA-N 1 0 351.472 0.570 50 0 FCAARO Cc1nnc2c(=O)n(CC(=O)NCC[NH+]3CCCCC3)c3cccnc3n12 ZINC000065173031 221175751 /nfs/dbraw/zinc/17/57/51/221175751.db2.gz SGQTTWHVBAHFHK-UHFFFAOYSA-N 1 0 369.429 0.350 50 0 FCAARO O=c1n(C[C@H]2COCCO2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065381369 221206303 /nfs/dbraw/zinc/20/63/03/221206303.db2.gz ZCHBWEYSQNNTJC-KRWDZBQOSA-N 1 0 358.442 0.992 50 0 FCAARO Cc1nc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)nc2c1CCCC2 ZINC000065386716 221208237 /nfs/dbraw/zinc/20/82/37/221208237.db2.gz WCTWLWPMHPXDEL-AWEZNQCLSA-N 1 0 359.474 0.690 50 0 FCAARO C[NH+](C)CCN1C[C@H](C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1=O ZINC000065387231 221208268 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0.291 50 0 FCAARO CC(C)c1cc(CN(C)C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)on1 ZINC000426571493 489575588 /nfs/dbraw/zinc/57/55/88/489575588.db2.gz MFIMOBOBFYKUGZ-UHFFFAOYSA-N 1 0 361.450 0.567 50 0 FCAARO CCn1cnnc1CCNC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426613605 489576970 /nfs/dbraw/zinc/57/69/70/489576970.db2.gz JCDCYWVREVUOMV-HNNXBMFYSA-N 1 0 350.467 0.329 50 0 FCAARO CN(C)C(=O)c1nc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)no1 ZINC000426612323 489577071 /nfs/dbraw/zinc/57/70/71/489577071.db2.gz IAEQFSSOMWLVBF-VIFPVBQESA-N 1 0 351.436 0.659 50 0 FCAARO COc1cc(=O)n2c(c1C(=O)N[C@H]1c3ccccc3C[C@H]1O)CC[NH2+]CC2 ZINC000534581618 490384082 /nfs/dbraw/zinc/38/40/82/490384082.db2.gz LKZNKZHBTCRTJR-BEFAXECRSA-N 1 0 369.421 0.391 50 0 FCAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC[NH+]1CCCCC1 ZINC000004370675 518185807 /nfs/dbraw/zinc/18/58/07/518185807.db2.gz XYOHPKVDXAKWIB-UHFFFAOYSA-N 1 0 358.446 0.789 50 0 FCAARO CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2C1 ZINC000082120783 519854578 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C[NH+]1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000020687430 523896404 /nfs/dbraw/zinc/89/64/04/523896404.db2.gz XFHRPEDJJSKHQA-UHFFFAOYSA-N 1 0 369.469 0.664 50 0 FCAARO COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1OC ZINC000262631057 524998210 /nfs/dbraw/zinc/99/82/10/524998210.db2.gz MUSQKFRKKIZHDV-GFCCVEGCSA-N 1 0 356.444 0.817 50 0 FCAARO CC(C)/C=C/C[N@H+]1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1 ZINC000299764017 527383452 /nfs/dbraw/zinc/38/34/52/527383452.db2.gz JBPDDZHKGREPDW-RDFMZFSFSA-N 1 0 360.462 0.243 50 0 FCAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@@]4(CNC(=O)O4)CC3)nn2)CC1 ZINC000244884173 527413144 /nfs/dbraw/zinc/41/31/44/527413144.db2.gz YGSRKTGORPHMEO-AHIWAGSCSA-N 1 0 362.434 0.825 50 0 FCAARO C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCC[NH+](C)C)cc2)C1=O ZINC000012021085 671743739 /nfs/dbraw/zinc/74/37/39/671743739.db2.gz WMVXIBVDGCFZQX-GFCCVEGCSA-N 1 0 353.444 0.681 50 0 FCAARO OCCn1nccc1C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000127469731 673724105 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FCAARO CC(C)C[NH+]1CCC(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1 ZINC001704352073 1286231795 /nfs/dbraw/zinc/23/17/95/1286231795.db2.gz WUBCYMCJGOXDOQ-AWEZNQCLSA-N 1 0 363.462 0.085 50 0 FCAARO Cc1n[nH]cc1-c1nc([C@H]2CCCN(CC(N)=O)C2)n(-c2cnn(C)c2)n1 ZINC001772808976 1290901338 /nfs/dbraw/zinc/90/13/38/1290901338.db2.gz HULSURKZJPOUJC-LBPRGKRZSA-N 1 0 369.433 0.364 50 0 FCAARO CNS(=O)(=O)c1cc(/C=C\C(=O)N(C)C2CC[NH2+]CC2)ccc1OC ZINC000606442112 836091894 /nfs/dbraw/zinc/09/18/94/836091894.db2.gz UJCWMKXZGLIXGM-ALCCZGGFSA-N 1 0 367.471 0.827 50 0 FCAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289151255 213845389 /nfs/dbraw/zinc/84/53/89/213845389.db2.gz GICTYUYFXJQLAE-CQSZACIVSA-N 1 0 351.472 0.518 50 0 FCAARO Cc1ccc(Cn2c(N3CC[NH2+]CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000863258 219333557 /nfs/dbraw/zinc/33/35/57/219333557.db2.gz XFJCVDAIIPQXKB-UHFFFAOYSA-N 1 0 354.414 0.190 50 0 FCAARO COc1cccc(C(=O)N2CCC(C(=O)NC[C@]3(O)CC[NH2+]C3)CC2)c1 ZINC000252485658 222970798 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BDODRLPAOZKKTC-HNNXBMFYSA-N 1 0 354.472 0.850 50 0 FCAARO NS(=O)(=O)c1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])C2)c1Br ZINC000299748322 488871009 /nfs/dbraw/zinc/87/10/09/488871009.db2.gz GXZLWGDHNFAQTO-SSDOTTSWSA-N 1 0 366.212 0.409 50 0 FCAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000004135563 487475166 /nfs/dbraw/zinc/47/51/66/487475166.db2.gz UQOWYUFWXGSLFZ-UHFFFAOYSA-N 1 0 372.404 0.031 50 0 FCAARO CC[C@H](C)N(C(=O)CSc1nc(N)cc(N)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000005229272 487486031 /nfs/dbraw/zinc/48/60/31/487486031.db2.gz LUZTXFJJNGGOEY-VHSXEESVSA-N 1 0 373.504 0.547 50 0 FCAARO CCn1c2sc3c(c2c(=O)n(CC(=O)NCC[NH3+])c1=O)CCCC3 ZINC000006764240 487498516 /nfs/dbraw/zinc/49/85/16/487498516.db2.gz MWRPLQOQQBSJIV-UHFFFAOYSA-N 1 0 350.444 0.198 50 0 FCAARO COc1ccc(Br)cc1C[NH2+]CCNC(=O)c1nonc1N ZINC000006758942 487498985 /nfs/dbraw/zinc/49/89/85/487498985.db2.gz ZYLOHSWMNQSNDQ-UHFFFAOYSA-N 1 0 370.207 0.943 50 0 FCAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000007785919 487509387 /nfs/dbraw/zinc/50/93/87/487509387.db2.gz MVLBQOWSOPABKE-UHFFFAOYSA-N 1 0 351.472 0.924 50 0 FCAARO Cc1cn2c3c(nc2n1CC[N@H+]1CCC[C@@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000010105192 487531833 /nfs/dbraw/zinc/53/18/33/487531833.db2.gz FXRUHTBLZAGXRT-GFCCVEGCSA-N 1 0 358.446 0.727 50 0 FCAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccon1 ZINC000012069419 487548613 /nfs/dbraw/zinc/54/86/13/487548613.db2.gz ATUKZFUZMDSFRV-UHFFFAOYSA-N 1 0 357.414 0.942 50 0 FCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022308 487586700 /nfs/dbraw/zinc/58/67/00/487586700.db2.gz UNCYZNYUKMRATD-NGBGRFTOSA-N 1 0 363.801 0.727 50 0 FCAARO C[NH+]1CCN(CCCNC(=O)c2nnc(-c3ccc4c(c3)OCO4)o2)CC1 ZINC000022936372 487627240 /nfs/dbraw/zinc/62/72/40/487627240.db2.gz KSODXZZOIPCXAC-UHFFFAOYSA-N 1 0 373.413 0.833 50 0 FCAARO O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000023505487 487637587 /nfs/dbraw/zinc/63/75/87/487637587.db2.gz 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O=C(NCc1cnn2cccnc12)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077380376 488412315 /nfs/dbraw/zinc/41/23/15/488412315.db2.gz BZWIPADYRKITFY-CQSZACIVSA-N 1 0 354.418 0.783 50 0 FCAARO C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C[NH+](C)C)CC2 ZINC000077422044 488413056 /nfs/dbraw/zinc/41/30/56/488413056.db2.gz BPERZRLHPSKTHB-ZDUSSCGKSA-N 1 0 369.487 0.182 50 0 FCAARO [NH3+][C@@H]1CCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077427367 488413086 /nfs/dbraw/zinc/41/30/86/488413086.db2.gz NSMBSTLILGADDS-CYBMUJFWSA-N 1 0 370.409 0.567 50 0 FCAARO O=C(COc1ccc(C[N@H+]2CCOC[C@H](CO)C2)cc1)N1CCOCC1 ZINC000077408266 488413183 /nfs/dbraw/zinc/41/31/83/488413183.db2.gz RNYRWEMPWJQGBE-KRWDZBQOSA-N 1 0 364.442 0.365 50 0 FCAARO CN(CCO)Cc1nnc(C2CC[NH+](Cc3cccnc3N)CC2)n1C ZINC000077421050 488413196 /nfs/dbraw/zinc/41/31/96/488413196.db2.gz SQIKTAFJTXIHOT-UHFFFAOYSA-N 1 0 359.478 0.596 50 0 FCAARO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)[nH]c1=O ZINC000077408278 488413211 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/nfs/dbraw/zinc/92/69/72/546926972.db2.gz OTNNJPPBNAABLB-RISCZKNCSA-N 1 0 354.838 0.714 50 0 FCAARO C[NH+](C)C[C@]1(CO)CCCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000952968618 674481817 /nfs/dbraw/zinc/48/18/17/674481817.db2.gz NBGKEJKSFKUOAY-MRXNPFEDSA-N 1 0 352.460 0.888 50 0 FCAARO O=C(CCCn1cncn1)NCC1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000952962410 674481520 /nfs/dbraw/zinc/48/15/20/674481520.db2.gz BLMGICWTEZUAOE-MRXNPFEDSA-N 1 0 351.451 0.302 50 0 FCAARO Cc1ccccc1S(=O)(=O)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787727 666585726 /nfs/dbraw/zinc/58/57/26/666585726.db2.gz HQVGERPTPSKILG-HNNXBMFYSA-N 1 0 363.483 0.970 50 0 FCAARO C[NH+]1CCC([C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]2C(N)=O)CC1 ZINC000169788944 666585886 /nfs/dbraw/zinc/58/58/86/666585886.db2.gz ATZZWIVSZQKLOR-LSDHHAIUSA-N 1 0 352.460 0.145 50 0 FCAARO C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cc4ccccc4s3)CN2C1=O ZINC000014733227 675386332 /nfs/dbraw/zinc/38/63/32/675386332.db2.gz CRVOEDMFFQGMMZ-TYRIBLQHSA-N 1 0 359.451 0.840 50 0 FCAARO CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000020203130 675435229 /nfs/dbraw/zinc/43/52/29/675435229.db2.gz DRGOTDIJLRZYGO-IAGOWNOFSA-N 1 0 353.413 0.717 50 0 FCAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000177447681 1181414418 /nfs/dbraw/zinc/41/44/18/1181414418.db2.gz VJMPSYIXBAMJSS-OAHLLOKOSA-N 1 0 372.473 0.891 50 0 FCAARO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772701505 1181657870 /nfs/dbraw/zinc/65/78/70/1181657870.db2.gz QLSTZNOXNYWQAE-WCQYABFASA-N 1 0 350.362 0.908 50 0 FCAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncnc2c1ncn2CC1(CO)COC1 ZINC000888097982 1186449724 /nfs/dbraw/zinc/44/97/24/1186449724.db2.gz WLFSWXXWJDQXSW-CABCVRRESA-N 1 0 372.473 0.898 50 0 FCAARO O=C(CN1CCCc2nc(C3CC3)ncc2C1=O)NCC[NH+]1CCCC1 ZINC000581787411 1198961017 /nfs/dbraw/zinc/96/10/17/1198961017.db2.gz HVPXEAOLIUQQJS-UHFFFAOYSA-N 1 0 357.458 0.954 50 0 FCAARO C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccccn1)CC2 ZINC000581802151 1198962279 /nfs/dbraw/zinc/96/22/79/1198962279.db2.gz AZXQKVQYCRSNNC-QGZVFWFLSA-N 1 0 372.469 0.867 50 0 FCAARO C[NH+]1CCC(N2CCN(C(=O)[C@@]3(CCO)CC34CCOCC4)CC2)CC1 ZINC000581811488 1198963749 /nfs/dbraw/zinc/96/37/49/1198963749.db2.gz GYXLANXVGMMJJS-HXUWFJFHSA-N 1 0 365.518 0.794 50 0 FCAARO CC1(C)CN(C(=O)NCCN2CCc3ccccc3C2=O)CC[N@@H+]1CCO ZINC000585083053 1203174606 /nfs/dbraw/zinc/17/46/06/1203174606.db2.gz AFJJJIMYFCMXFV-UHFFFAOYSA-N 1 0 374.485 0.783 50 0 FCAARO O=c1ccc(-n2cncn2)nn1CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000585500775 1204857263 /nfs/dbraw/zinc/85/72/63/1204857263.db2.gz PBNMAYCWDUFVNJ-MRXNPFEDSA-N 1 0 358.446 0.963 50 0 FCAARO COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000952981404 1206217698 /nfs/dbraw/zinc/21/76/98/1206217698.db2.gz MMASEBNDDRVIDL-AWEZNQCLSA-N 1 0 371.441 0.899 50 0 FCAARO Cc1c(NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cccc1-c1nncn1C ZINC000952989585 1206218471 /nfs/dbraw/zinc/21/84/71/1206218471.db2.gz RAMRHSFQTFKTHE-ZDUSSCGKSA-N 1 0 356.430 0.926 50 0 FCAARO CCOCC(=O)N1CCC(C(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)CC1 ZINC000952988304 1206218613 /nfs/dbraw/zinc/21/86/13/1206218613.db2.gz PPPVOTLHNXTDIH-LJQANCHMSA-N 1 0 369.506 0.424 50 0 FCAARO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188622535 1212095271 /nfs/dbraw/zinc/09/52/71/1212095271.db2.gz QGNALDVBTRCSRG-ZDUSSCGKSA-N 1 0 369.425 0.465 50 0 FCAARO Cc1cc(N2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)nc(N)[nH+]1 ZINC001506400011 1264318102 /nfs/dbraw/zinc/31/81/02/1264318102.db2.gz GVRGTBSBPQRTFH-UHFFFAOYSA-N 1 0 365.397 0.338 50 0 FCAARO Cc1cc(C(=O)N2CCOC3(CC[NH+](CCn4cnnc4C)CC3)C2)no1 ZINC001506399487 1264318550 /nfs/dbraw/zinc/31/85/50/1264318550.db2.gz AAHCJDNSOFZMRS-UHFFFAOYSA-N 1 0 374.445 0.890 50 0 FCAARO O=C([C@H](O)C1CCCCC1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC001506419604 1264319344 /nfs/dbraw/zinc/31/93/44/1264319344.db2.gz GMOLYJNNRVGEIY-GOSISDBHSA-N 1 0 353.507 0.529 50 0 FCAARO [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001529118226 1267029975 /nfs/dbraw/zinc/02/99/75/1267029975.db2.gz GZUJGTBSCPMPKY-NONVJHHQSA-N 1 0 358.442 0.899 50 0 FCAARO O=C([C@H]1OCC(=O)N[C@@H]1c1cccnc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001529186395 1267041659 /nfs/dbraw/zinc/04/16/59/1267041659.db2.gz YGBPUWWXDVMFCQ-MSOLQXFVSA-N 1 0 367.409 0.382 50 0 FCAARO C[NH2+]CC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001529190695 1267043002 /nfs/dbraw/zinc/04/30/02/1267043002.db2.gz MHLYSEJIZKTYHM-MOPGFXCFSA-N 1 0 372.469 0.971 50 0 FCAARO CN(C)S(=O)(=O)C[C@@H]1C[N@H+](CCn2cnc3ccccc32)C[C@H]1O ZINC001529197395 1267043355 /nfs/dbraw/zinc/04/33/55/1267043355.db2.gz PXJOCHPGPIWSDR-XJKSGUPXSA-N 1 0 352.460 0.220 50 0 FCAARO Cc1nnnn1-c1ccc(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC001772809515 1290901987 /nfs/dbraw/zinc/90/19/87/1290901987.db2.gz CWKCQCKJOUYNSJ-UHFFFAOYSA-N 1 0 370.457 0.836 50 0 FCAARO C[NH+]1CCC2(CC1)CN(c1ncc(F)c(N3CCOCC3)n1)CCO2 ZINC001772808205 1290902021 /nfs/dbraw/zinc/90/20/21/1290902021.db2.gz IULGCLDTUUHSQO-UHFFFAOYSA-N 1 0 351.426 0.753 50 0 FCAARO